smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCc1c2c(cnc1C(=O)OC(C)C)[nH]c1cccc(Oc3ccc(Cl)cc3)c12 ZINC000000537780 557018430 /nfs/dbraw/zinc/01/84/30/557018430.db2.gz SLYDYLLJUXFULK-UHFFFAOYSA-N 0 0 424.884 5.873 40 0 in-man HKABRN O=C1c2ccccc2C(Cc2ccnc(F)c2)(Cc2ccnc(F)c2)c2ccccc21 ZINC000000538590 557018375 /nfs/dbraw/zinc/01/83/75/557018375.db2.gz MUJBUUDUXGDXLW-UHFFFAOYSA-N 0 0 412.439 5.071 40 0 in-vitro HKABRN CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(-c2cccc(N)c2)n1 ZINC000000602739 568930093 /nfs/dbraw/zinc/93/00/93/568930093.db2.gz LDXAGTHPWDVZFU-UHFFFAOYSA-N 0 0 418.328 5.703 40 0 HKABRN COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3)n2-c2ccccc2)cc1 ZINC000000636646 560554368 /nfs/dbraw/zinc/55/43/68/560554368.db2.gz JWWAEUKNOLDLAS-IZHYLOQSSA-N 0 0 400.503 5.264 40 0 HKABRN Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-c2ccccc2)cc1 ZINC000000651191 559276783 /nfs/dbraw/zinc/27/67/83/559276783.db2.gz GUWCYHFTGYQVCW-UHFFFAOYSA-N 0 0 406.555 5.354 40 0 HKABRN O=C(Nc1ccc(F)cc1F)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000000661466 557043620 /nfs/dbraw/zinc/04/36/20/557043620.db2.gz LVJAZNJGOQANPH-UHFFFAOYSA-N 0 0 420.459 5.123 40 0 HKABRN O=C(CCC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(Cl)cc1Cl ZINC000000686330 557058596 /nfs/dbraw/zinc/05/85/96/557058596.db2.gz PNUXAQPTSOKFHZ-UHFFFAOYSA-N 0 0 414.288 6.387 40 0 HKABRN CC(=O)OC/C=C1\CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000000689827 557060287 /nfs/dbraw/zinc/06/02/87/557060287.db2.gz YARSPKDZIPZAQS-GWJLFCBSSA-N 0 0 400.559 5.370 40 0 HKABRN O=C1c2ccc(N3Cc4ccccc4C3)cc2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000000705985 568930027 /nfs/dbraw/zinc/93/00/27/568930027.db2.gz WFUSXIRXXXPWNX-UHFFFAOYSA-N 0 0 409.272 5.314 40 0 HKABRN c1ccc2[nH]c(SCc3ccccc3CSc3nc4ccccc4[nH]3)nc2c1 ZINC000000721457 557070624 /nfs/dbraw/zinc/07/06/24/557070624.db2.gz DGCXJWBXTSVGTH-UHFFFAOYSA-N 0 0 402.548 6.024 40 0 HKABRN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Nc1ccccc1 ZINC000000732544 557075161 /nfs/dbraw/zinc/07/51/61/557075161.db2.gz RAAUBCOQLXJNAZ-UHFFFAOYSA-N 0 0 419.481 5.380 40 0 HKABRN C[C@@H](CC(=O)Nc1ccc(N2CCCC2)c(C(=O)N2CCCCC2)c1)CC(C)(C)C ZINC000000747098 569284335 /nfs/dbraw/zinc/28/43/35/569284335.db2.gz HITXQJXLJZLDJT-IBGZPJMESA-N 0 0 413.606 5.314 40 0 HKABRN C[C@H](CC(=O)Nc1ccc(N2CCCC2)c(C(=O)N2CCCCC2)c1)CC(C)(C)C ZINC000000747099 569284413 /nfs/dbraw/zinc/28/44/13/569284413.db2.gz HITXQJXLJZLDJT-LJQANCHMSA-N 0 0 413.606 5.314 40 0 HKABRN CC1(C)C=Cc2c(c3c(c4c(=O)c(-c5ccc(O)cc5)coc24)OC(C)(C)CC3)O1 ZINC000000756489 560178690 /nfs/dbraw/zinc/17/86/90/560178690.db2.gz FMCWKGDGAHVFMC-UHFFFAOYSA-N 0 0 404.462 5.453 40 0 biogenic,in-vitro HKABRN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)Nc1ccccc1 ZINC000000783361 559279213 /nfs/dbraw/zinc/27/92/13/559279213.db2.gz GZKSWDLMUHOGKQ-UHFFFAOYSA-N 0 0 411.939 5.743 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)CSc1nc(C)nc2sc(C)c(C)c21 ZINC000000784669 559279257 /nfs/dbraw/zinc/27/92/57/559279257.db2.gz NJALKIDVNMVKBE-UHFFFAOYSA-N 0 0 407.948 5.009 40 0 HKABRN Cc1cc(SCC(=O)Nc2ccccc2)nc(SCc2ccc(Cl)cc2)n1 ZINC000000786377 559279371 /nfs/dbraw/zinc/27/93/71/559279371.db2.gz LCTVPFOQXVRNGN-UHFFFAOYSA-N 0 0 415.971 5.462 40 0 HKABRN CCn1c(CNc2ccc(OC)cc2)nnc1SCc1c(Cl)cccc1Cl ZINC000000786940 559279368 /nfs/dbraw/zinc/27/93/68/559279368.db2.gz ISVVYPAPQNGRAI-UHFFFAOYSA-N 0 0 423.369 5.518 40 0 HKABRN Cc1ccc2cc3c(N)c(C(=O)Nc4ccccc4C(F)(F)F)sc3nc2c1 ZINC000000786977 559279378 /nfs/dbraw/zinc/27/93/78/559279378.db2.gz PHGCFFHPIOGPPC-UHFFFAOYSA-N 0 0 401.413 5.611 40 0 HKABRN COc1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(C)cc32)c1 ZINC000000792091 559279488 /nfs/dbraw/zinc/27/94/88/559279488.db2.gz DCKVZVGMFROHJI-UHFFFAOYSA-N 0 0 415.518 5.345 40 0 HKABRN Cc1ccc([C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000000792919 559279493 /nfs/dbraw/zinc/27/94/93/559279493.db2.gz VFDHDLWJAYZFPS-AWEZNQCLSA-N 0 0 413.153 5.038 40 0 HKABRN Cc1ccc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000000792920 559279536 /nfs/dbraw/zinc/27/95/36/559279536.db2.gz VFDHDLWJAYZFPS-CQSZACIVSA-N 0 0 413.153 5.038 40 0 HKABRN COc1ccccc1-c1nnc(SCC(=O)c2ccccc2)n1-c1ccc(C)cc1 ZINC000000793590 559279683 /nfs/dbraw/zinc/27/96/83/559279683.db2.gz WDRJXUOHCJNYRB-UHFFFAOYSA-N 0 0 415.518 5.226 40 0 HKABRN CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1C1CCCCC1 ZINC000000793602 559279677 /nfs/dbraw/zinc/27/96/77/559279677.db2.gz DHCMBXNYCQDXLU-UHFFFAOYSA-N 0 0 412.481 5.095 40 0 HKABRN CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1C1CCCCC1 ZINC000000793605 568457379 /nfs/dbraw/zinc/45/73/79/568457379.db2.gz RWTZQPZJGYFYTF-UHFFFAOYSA-N 0 0 413.374 5.383 40 0 HKABRN O=C(Nc1cccc2ccccc21)c1cccc(C(=O)Nc2cccc3ccccc32)c1 ZINC000000797347 559280002 /nfs/dbraw/zinc/28/00/02/559280002.db2.gz HMXYLLKWCAZPEH-UHFFFAOYSA-N 0 0 416.480 6.498 40 0 HKABRN CCn1c(COc2ccc(OC)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000000797497 559279980 /nfs/dbraw/zinc/27/99/80/559279980.db2.gz AIBNEJVVCQTLQN-UHFFFAOYSA-N 0 0 424.353 5.485 40 0 HKABRN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000000798523 559279864 /nfs/dbraw/zinc/27/98/64/559279864.db2.gz JVVOAQONLZDJQB-UHFFFAOYSA-N 0 0 409.898 5.215 40 0 HKABRN CCc1ccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000000800252 559280075 /nfs/dbraw/zinc/28/00/75/559280075.db2.gz PGLNMMDLCRWFHV-SFHVURJKSA-N 0 0 424.488 5.006 40 0 HKABRN CCc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000000800254 559280045 /nfs/dbraw/zinc/28/00/45/559280045.db2.gz PGLNMMDLCRWFHV-GOSISDBHSA-N 0 0 424.488 5.006 40 0 HKABRN COc1cccc2c1N(C(=O)CCc1ccccc1)C(C)(C)c1ssc(=O)c1-2 ZINC000000801459 559280171 /nfs/dbraw/zinc/28/01/71/559280171.db2.gz QNEDUSOQWXWEKK-UHFFFAOYSA-N 0 0 411.548 5.060 40 0 HKABRN Cc1ccc(OC(=O)c2cc(Cl)nc3ccccc32)c(-n2nc3ccccc3n2)c1 ZINC000000801998 559280182 /nfs/dbraw/zinc/28/01/82/559280182.db2.gz YOMKKQLHAIFSGK-UHFFFAOYSA-N 0 0 414.852 5.150 40 0 HKABRN COc1cc(NC(=O)c2cc3ccccc3o2)c(Cl)cc1NC(=O)c1ccccc1 ZINC000000802013 559280179 /nfs/dbraw/zinc/28/01/79/559280179.db2.gz WKYJDDOTTRBFAU-UHFFFAOYSA-N 0 0 420.852 5.599 40 0 HKABRN O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc(Cl)cc1Cl ZINC000000802279 559280284 /nfs/dbraw/zinc/28/02/84/559280284.db2.gz ZOGNCHWMKRFXGC-UHFFFAOYSA-N 0 0 401.224 6.193 40 0 HKABRN COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000000805573 559280325 /nfs/dbraw/zinc/28/03/25/559280325.db2.gz WLZFDLVQMINAOO-UHFFFAOYSA-N 0 0 415.276 5.507 40 0 HKABRN O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Br)cc1 ZINC000000806008 559280264 /nfs/dbraw/zinc/28/02/64/559280264.db2.gz DNUWWLLMFSYSDB-UHFFFAOYSA-N 0 0 420.266 5.418 40 0 HKABRN Nc1cc(C(F)(F)F)cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1Cl ZINC000000807090 559280509 /nfs/dbraw/zinc/28/05/09/559280509.db2.gz JLNCNZJWTCYYAJ-UHFFFAOYSA-N 0 0 409.578 5.048 40 0 HKABRN O=C(Nc1nc(C2C3CC4CC(C3)CC2C4)cs1)c1cc2ccccc2oc1=O ZINC000000811413 559280970 /nfs/dbraw/zinc/28/09/70/559280970.db2.gz ZQNAOIFKIGCUDU-UHFFFAOYSA-N 0 0 406.507 5.042 40 0 HKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2ccco2)cc1 ZINC000000812993 559281049 /nfs/dbraw/zinc/28/10/49/559281049.db2.gz YUUDGGXZWMVZHG-UHFFFAOYSA-N 0 0 418.522 5.183 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(C(=O)Oc3ccc(Br)cc3)cc2)cc1 ZINC000000820595 559281386 /nfs/dbraw/zinc/28/13/86/559281386.db2.gz AYBLTLYRCJZVIU-UHFFFAOYSA-N 0 0 410.267 5.229 40 0 HKABRN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)Nc1ccc(Cl)cc1 ZINC000000822430 559281567 /nfs/dbraw/zinc/28/15/67/559281567.db2.gz JFAPERWOTRBCEX-UHFFFAOYSA-N 0 0 408.708 5.870 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)Nc1cccc(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000000822431 557092806 /nfs/dbraw/zinc/09/28/06/557092806.db2.gz LYFIOUUOPGHZGI-UHFFFAOYSA-N 0 0 416.268 5.676 40 0 HKABRN Cc1ccc2oc(-c3cccc(NC(=O)c4ccccc4Br)c3C)nc2c1 ZINC000000822646 559281570 /nfs/dbraw/zinc/28/15/70/559281570.db2.gz HWNUSYSHOYMMJA-UHFFFAOYSA-N 0 0 421.294 6.126 40 0 HKABRN O=C1OC(c2ccccc2F)=N/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000000823891 559281403 /nfs/dbraw/zinc/28/14/03/559281403.db2.gz MAJNBCCLBVIWMV-GZTJUZNOSA-N 0 0 401.315 5.449 40 0 HKABRN CN(C)C(=O)N[C@H](Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000000825906 557093807 /nfs/dbraw/zinc/09/38/07/557093807.db2.gz DTNBUYWXXORPMR-VIFPVBQESA-N 0 0 413.947 5.026 40 0 HKABRN CN(C)C(=O)N[C@@H](Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000000825907 557093773 /nfs/dbraw/zinc/09/37/73/557093773.db2.gz DTNBUYWXXORPMR-SECBINFHSA-N 0 0 413.947 5.026 40 0 HKABRN O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccccc1F ZINC000000826364 559281622 /nfs/dbraw/zinc/28/16/22/559281622.db2.gz TXPWFRFASICBRD-UHFFFAOYSA-N 0 0 411.230 5.649 40 0 HKABRN Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000000826394 559281636 /nfs/dbraw/zinc/28/16/36/559281636.db2.gz ORGDQTWMPCKNQO-UHFFFAOYSA-N 0 0 409.283 5.262 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccccc4Br)ccc3o2)c1 ZINC000000826449 559281615 /nfs/dbraw/zinc/28/16/15/559281615.db2.gz KELUOPPTMJGPGU-UHFFFAOYSA-N 0 0 421.294 6.126 40 0 HKABRN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Br)cc2)c1 ZINC000000826452 559281670 /nfs/dbraw/zinc/28/16/70/559281670.db2.gz XOBVMWRTBIRJCR-UHFFFAOYSA-N 0 0 409.283 5.262 40 0 HKABRN Cc1ccc2oc(-c3ccc(NC(=O)c4ccccc4Br)cc3)nc2c1 ZINC000000826455 559281647 /nfs/dbraw/zinc/28/16/47/559281647.db2.gz CTTDSTAMFDZNEG-UHFFFAOYSA-N 0 0 407.267 5.818 40 0 HKABRN CCc1ccccc1NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000000826988 557094437 /nfs/dbraw/zinc/09/44/37/557094437.db2.gz MKRJZKBRYLGQAI-UHFFFAOYSA-N 0 0 416.428 5.291 40 0 HKABRN Cc1ccc(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1C ZINC000000827025 559281763 /nfs/dbraw/zinc/28/17/63/559281763.db2.gz GKPKIHRWIHVQMK-UHFFFAOYSA-N 0 0 416.428 5.346 40 0 HKABRN O=C(CSCc1cccc(Br)c1)Nc1cccc(Br)c1 ZINC000000827506 559281774 /nfs/dbraw/zinc/28/17/74/559281774.db2.gz KZVYSWZCGVFMNK-UHFFFAOYSA-N 0 0 415.150 5.084 40 0 HKABRN COc1cccc(C(=O)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)c1 ZINC000000828018 559281841 /nfs/dbraw/zinc/28/18/41/559281841.db2.gz QQNJXZBUBQQARL-UHFFFAOYSA-N 0 0 423.266 5.518 40 0 HKABRN O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccc(Br)o1 ZINC000000830119 557095134 /nfs/dbraw/zinc/09/51/34/557095134.db2.gz GSDOTNOSLWRHES-UHFFFAOYSA-N 0 0 419.662 5.200 40 0 HKABRN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(I)cc1 ZINC000000830131 560725929 /nfs/dbraw/zinc/72/59/29/560725929.db2.gz LACZSMJNIRPCHR-UHFFFAOYSA-N 0 0 411.242 5.115 40 0 HKABRN COc1ccc(Oc2cc(C)nc(SCc3c(Cl)cccc3Cl)n2)cc1 ZINC000000832565 559282150 /nfs/dbraw/zinc/28/21/50/559282150.db2.gz GPSGPOWFJQLHLG-UHFFFAOYSA-N 0 0 407.322 6.185 40 0 HKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(OCc2ccccc2)cc1 ZINC000000834864 559282112 /nfs/dbraw/zinc/28/21/12/559282112.db2.gz CIGCMJGMIFWIOQ-UHFFFAOYSA-N 0 0 402.277 5.590 40 0 HKABRN Cc1ccc(S(=O)(=O)N2c3cc(Br)ccc3C(C)=CC2(C)C)cc1 ZINC000000835917 525559628 /nfs/dbraw/zinc/55/96/28/525559628.db2.gz YGOBRIOPXPRVCU-UHFFFAOYSA-N 0 0 406.345 5.148 40 0 HKABRN CC[C@@H](COC(=O)Nc1ccc(Cl)cc1)N1C(=O)CS[C@@H]1c1ccc(C)cc1 ZINC000000837055 557096752 /nfs/dbraw/zinc/09/67/52/557096752.db2.gz WZMZQYOLPGWVBA-AZUAARDMSA-N 0 0 418.946 5.250 40 0 HKABRN CC[C@H](COC(=O)Nc1ccc(Cl)cc1)N1C(=O)CS[C@@H]1c1ccc(C)cc1 ZINC000000837056 557096809 /nfs/dbraw/zinc/09/68/09/557096809.db2.gz WZMZQYOLPGWVBA-UYAOXDASSA-N 0 0 418.946 5.250 40 0 HKABRN CC[C@@H](COC(=O)Nc1ccc(Cl)cc1)N1C(=O)CS[C@H]1c1ccc(C)cc1 ZINC000000837057 557096815 /nfs/dbraw/zinc/09/68/15/557096815.db2.gz WZMZQYOLPGWVBA-ICSRJNTNSA-N 0 0 418.946 5.250 40 0 HKABRN CC[C@H](COC(=O)Nc1ccc(Cl)cc1)N1C(=O)CS[C@H]1c1ccc(C)cc1 ZINC000000837058 557096741 /nfs/dbraw/zinc/09/67/41/557096741.db2.gz WZMZQYOLPGWVBA-QUCCMNQESA-N 0 0 418.946 5.250 40 0 HKABRN O=C(Nc1ccc2sc3ccc(NC(=O)C(F)(F)F)cc3c2c1)C(F)(F)F ZINC000000838084 560725886 /nfs/dbraw/zinc/72/58/86/560725886.db2.gz WOBYRMWNZJDNOT-UHFFFAOYSA-N 0 0 406.307 5.056 40 0 HKABRN C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000840474 559287478 /nfs/dbraw/zinc/28/74/78/559287478.db2.gz PGSQIZMQCWKPQP-RABUFTMVSA-N 0 0 407.435 6.187 40 0 HKABRN C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000840476 559287538 /nfs/dbraw/zinc/28/75/38/559287538.db2.gz PGSQIZMQCWKPQP-OSXLHZELSA-N 0 0 407.435 6.187 40 0 HKABRN C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000840477 559286897 /nfs/dbraw/zinc/28/68/97/559286897.db2.gz PGSQIZMQCWKPQP-XFYPZNOGSA-N 0 0 407.435 6.187 40 0 HKABRN C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000840478 559286929 /nfs/dbraw/zinc/28/69/29/559286929.db2.gz PGSQIZMQCWKPQP-RADKVMJMSA-N 0 0 407.435 6.187 40 0 HKABRN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1 ZINC000000840794 559287770 /nfs/dbraw/zinc/28/77/70/559287770.db2.gz QZMQBUKDDIGWNH-JTQLQIEISA-N 0 0 417.699 5.064 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 ZINC000000841550 557097800 /nfs/dbraw/zinc/09/78/00/557097800.db2.gz TVKXZKQAQHTKKY-UHFFFAOYSA-N 0 0 412.489 6.235 40 0 HKABRN O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@@H]1c1nc2ccccc2[nH]1 ZINC000000841954 557097994 /nfs/dbraw/zinc/09/79/94/557097994.db2.gz IIOHUFARLZTDDN-OAQYLSRUSA-N 0 0 400.869 5.208 40 0 HKABRN O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@H]1c1nc2ccccc2[nH]1 ZINC000000841955 557098017 /nfs/dbraw/zinc/09/80/17/557098017.db2.gz IIOHUFARLZTDDN-NRFANRHFSA-N 0 0 400.869 5.208 40 0 HKABRN COc1cc([C@H]2CC(=O)c3c(ccc4ccccc43)N2)ccc1OCc1ccccc1 ZINC000000844696 559288571 /nfs/dbraw/zinc/28/85/71/559288571.db2.gz KJDGNHBSZTUIEI-HSZRJFAPSA-N 0 0 409.485 6.167 40 0 HKABRN COc1cc([C@@H]2CC(=O)c3c(ccc4ccccc43)N2)ccc1OCc1ccccc1 ZINC000000844697 559288562 /nfs/dbraw/zinc/28/85/62/559288562.db2.gz KJDGNHBSZTUIEI-QHCPKHFHSA-N 0 0 409.485 6.167 40 0 HKABRN COC(=O)c1ccc(Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1 ZINC000000845832 559288679 /nfs/dbraw/zinc/28/86/79/559288679.db2.gz KHVAEHOBNZSXAM-UHFFFAOYSA-N 0 0 403.301 5.411 40 0 HKABRN O=C(CSCC(=O)Nc1cccc2ccccc21)Nc1cccc2ccccc21 ZINC000000845946 568978017 /nfs/dbraw/zinc/97/80/17/568978017.db2.gz RZPKEALTVTYMLK-UHFFFAOYSA-N 0 0 400.503 5.303 40 0 HKABRN O=C(Nc1ccc(Br)cc1)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000000845984 559288641 /nfs/dbraw/zinc/28/86/41/559288641.db2.gz XVEPARPOTMNKNW-UHFFFAOYSA-N 0 0 413.054 5.115 40 0 HKABRN O=C(Nc1cccc(Br)c1)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000000845990 559288637 /nfs/dbraw/zinc/28/86/37/559288637.db2.gz SPGHFTHDKBVRKW-UHFFFAOYSA-N 0 0 413.054 5.115 40 0 HKABRN Cc1ccc(-c2csc(NC(=O)COc3ccccc3Cl)n2)c2ccccc12 ZINC000000846108 559288605 /nfs/dbraw/zinc/28/86/05/559288605.db2.gz SABSCPLHPUYDBG-UHFFFAOYSA-N 0 0 408.910 5.943 40 0 HKABRN O=C(CSc1nnc(-c2ccccc2)o1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000000847132 569282311 /nfs/dbraw/zinc/28/23/11/569282311.db2.gz VKWBDYAQWLOBSP-UHFFFAOYSA-N 0 0 414.701 5.428 40 0 HKABRN O=C(Nc1c(Cl)cc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccccc1 ZINC000000847181 559288772 /nfs/dbraw/zinc/28/87/72/559288772.db2.gz WUEWVVULJRBBDJ-UHFFFAOYSA-N 0 0 411.244 5.046 40 0 HKABRN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC4CCCC4)c(Cl)c3n2)cc1 ZINC000000848616 559288982 /nfs/dbraw/zinc/28/89/82/559288982.db2.gz BWANFLWMZWBWCF-UHFFFAOYSA-N 0 0 422.838 5.049 40 0 HKABRN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCCC4)c(Cl)c3n2)cc1 ZINC000000848618 559288967 /nfs/dbraw/zinc/28/89/67/559288967.db2.gz HCKZZLJXGHEVSK-UHFFFAOYSA-N 0 0 422.838 5.003 40 0 HKABRN Cc1cc2nc(-c3cccc(NC(=O)c4cccc(OC(C)C)c4)c3)oc2c(C)c1 ZINC000000849007 559288942 /nfs/dbraw/zinc/28/89/42/559288942.db2.gz LSVRZRGKLBFJPA-UHFFFAOYSA-N 0 0 400.478 6.151 40 0 HKABRN Cc1cc2nc(-c3cccc(NC(=O)c4cccc(OC(C)C)c4)c3)oc2cc1C ZINC000000849008 559288989 /nfs/dbraw/zinc/28/89/89/559288989.db2.gz BSOLEJGUERFIAS-UHFFFAOYSA-N 0 0 400.478 6.151 40 0 HKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccc(OC(C)C)c4)c3)nc2c1 ZINC000000849009 559288948 /nfs/dbraw/zinc/28/89/48/559288948.db2.gz UBSLRDCUTZQNGF-UHFFFAOYSA-N 0 0 400.478 6.151 40 0 HKABRN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccc(OC(C)C)c4)c3)oc2c1 ZINC000000849010 559288943 /nfs/dbraw/zinc/28/89/43/559288943.db2.gz MMYMVWRRRHZTOC-UHFFFAOYSA-N 0 0 400.478 6.151 40 0 HKABRN CCc1ccc2oc(-c3cccc(NC(=O)c4cccc(OC(C)C)c4)c3)nc2c1 ZINC000000849011 559288969 /nfs/dbraw/zinc/28/89/69/559288969.db2.gz ZPDLZHDGFRGDQS-UHFFFAOYSA-N 0 0 400.478 6.097 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)cc1OC ZINC000000849028 559288941 /nfs/dbraw/zinc/28/89/41/559288941.db2.gz VLCRSESZQWATDH-UHFFFAOYSA-N 0 0 408.841 5.418 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1OC ZINC000000849031 559289022 /nfs/dbraw/zinc/28/90/22/559289022.db2.gz CXUQSOSDAPWWKQ-UHFFFAOYSA-N 0 0 402.450 5.381 40 0 HKABRN COc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1OC ZINC000000849033 559289077 /nfs/dbraw/zinc/28/90/77/559289077.db2.gz ZAZOXVLGTKSVTG-UHFFFAOYSA-N 0 0 402.450 5.381 40 0 HKABRN CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(OC)c(OC)c4)c3)nc2c1 ZINC000000849034 559288956 /nfs/dbraw/zinc/28/89/56/559288956.db2.gz HVRKFVZVQWPPQH-UHFFFAOYSA-N 0 0 402.450 5.327 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1OC ZINC000000849035 559288935 /nfs/dbraw/zinc/28/89/35/559288935.db2.gz PFMOLACAWFSXKL-UHFFFAOYSA-N 0 0 408.841 5.418 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)cc1Cl ZINC000000849868 559289064 /nfs/dbraw/zinc/28/90/64/559289064.db2.gz IAJSUGXACVENJP-UHFFFAOYSA-N 0 0 413.260 6.063 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1Cl ZINC000000849871 559289043 /nfs/dbraw/zinc/28/90/43/559289043.db2.gz WFISFEFELOGISL-UHFFFAOYSA-N 0 0 406.869 6.026 40 0 HKABRN COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1Cl ZINC000000849872 559289061 /nfs/dbraw/zinc/28/90/61/559289061.db2.gz NHHWNUXBGBQVEV-UHFFFAOYSA-N 0 0 406.869 6.026 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1Cl ZINC000000849874 559289071 /nfs/dbraw/zinc/28/90/71/559289071.db2.gz ZAOKTAKXQLHAOJ-UHFFFAOYSA-N 0 0 413.260 6.063 40 0 HKABRN O=C(CSc1nnc(-c2ccccc2Cl)o1)N(c1ccccc1)c1ccccc1 ZINC000000850109 569282316 /nfs/dbraw/zinc/28/23/16/569282316.db2.gz AQLSDXMLGKOUQN-UHFFFAOYSA-N 0 0 421.909 5.847 40 0 HKABRN CC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc4ccccc4c2)C3=O)cc1 ZINC000000850653 559289059 /nfs/dbraw/zinc/28/90/59/559289059.db2.gz VTIQTPLXKCCRTB-UHFFFAOYSA-N 0 0 422.440 5.391 40 0 HKABRN CC1(C)SC(=S)N(c2ccccc2)[C@@H]1N(O)C(=O)Nc1ccc(Cl)cc1 ZINC000000850725 559289008 /nfs/dbraw/zinc/28/90/08/559289008.db2.gz CCUNMQIPDIGFLY-OAHLLOKOSA-N 0 0 407.948 5.206 40 0 HKABRN CC1(C)SC(=S)N(c2ccccc2)[C@H]1N(O)C(=O)Nc1ccc(Cl)cc1 ZINC000000850726 559289080 /nfs/dbraw/zinc/28/90/80/559289080.db2.gz CCUNMQIPDIGFLY-HNNXBMFYSA-N 0 0 407.948 5.206 40 0 HKABRN CC1=C(C(=O)OCCC(C)C)C(c2ccccc2)C(C(=O)OCCC(C)C)=C(C)N1 ZINC000000851610 559289281 /nfs/dbraw/zinc/28/92/81/559289281.db2.gz POPOYCKYMWZBTB-UHFFFAOYSA-N 0 0 413.558 5.100 40 0 HKABRN COc1ccc(-c2nc3cc(NC(=O)c4ccc(OC)c(Cl)c4)ccc3o2)cc1 ZINC000000851892 559289284 /nfs/dbraw/zinc/28/92/84/559289284.db2.gz IBYFAWKHWBAPLF-UHFFFAOYSA-N 0 0 408.841 5.418 40 0 HKABRN COc1ccc(-c2nc(-c3ccc4c(c3)OCO4)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000000852269 559289250 /nfs/dbraw/zinc/28/92/50/559289250.db2.gz YOZXNYCRIMHVKQ-UHFFFAOYSA-N 0 0 400.434 5.157 40 0 HKABRN O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1cccc(C(F)(F)F)c1 ZINC000000852456 559289298 /nfs/dbraw/zinc/28/92/98/559289298.db2.gz BXCGKVYPXLXRRB-UHFFFAOYSA-N 0 0 413.808 5.140 40 0 HKABRN O=C(Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1 ZINC000000852700 559289328 /nfs/dbraw/zinc/28/93/28/559289328.db2.gz LBEGBJRNENTYPY-UHFFFAOYSA-N 0 0 419.695 6.151 40 0 HKABRN O=C(Nc1ccccc1C(=O)Nc1ccccc1Br)c1cccs1 ZINC000000852989 559289493 /nfs/dbraw/zinc/28/94/93/559289493.db2.gz BBOLPMTZQZBOAK-UHFFFAOYSA-N 0 0 401.285 5.015 40 0 HKABRN CCOc1ccc(NC(=O)Nc2ccccc2C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000000853163 559289497 /nfs/dbraw/zinc/28/94/97/559289497.db2.gz RGZMUMXZGZETST-UHFFFAOYSA-N 0 0 419.481 5.380 40 0 HKABRN Cc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(Br)c1 ZINC000000853538 569282252 /nfs/dbraw/zinc/28/22/52/569282252.db2.gz BNWCKXYKFSIOCW-UHFFFAOYSA-N 0 0 415.139 6.531 40 0 HKABRN CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000000853552 559289483 /nfs/dbraw/zinc/28/94/83/559289483.db2.gz FJFHIZUQYIBWHE-UHFFFAOYSA-N 0 0 400.865 6.010 40 0 HKABRN COc1ccc(CNc2nc3ccccc3n2Cc2ccccc2)c2c(OC)cccc12 ZINC000000854871 559289581 /nfs/dbraw/zinc/28/95/81/559289581.db2.gz YJJWJEWCRYAVJK-UHFFFAOYSA-N 0 0 423.516 5.867 40 0 HKABRN CC[C@H](C)C(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)[C@@H](C)CC)c2ccccc21 ZINC000000856742 523824036 /nfs/dbraw/zinc/82/40/36/523824036.db2.gz WYDOYBRGEXKRFI-XHOYROJHSA-N 0 0 406.570 5.978 40 0 HKABRN O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000000856771 559289790 /nfs/dbraw/zinc/28/97/90/559289790.db2.gz RXMBSLHVARHQLE-OVCLIPMQSA-N 0 0 421.294 5.353 40 0 HKABRN Cc1ccc(C)c(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c1 ZINC000000858101 557103420 /nfs/dbraw/zinc/10/34/20/557103420.db2.gz QCYMNUWICDVLQN-RUZDIDTESA-N 0 0 414.549 5.215 40 0 HKABRN Cc1ccc(C)c(NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c1 ZINC000000858102 557103428 /nfs/dbraw/zinc/10/34/28/557103428.db2.gz QCYMNUWICDVLQN-VWLOTQADSA-N 0 0 414.549 5.215 40 0 HKABRN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc(Cl)cc1 ZINC000000858844 559290466 /nfs/dbraw/zinc/29/04/66/559290466.db2.gz NDOFHSBTIYWOHB-UHFFFAOYSA-N 0 0 415.898 5.506 40 0 HKABRN Clc1ccccc1CSc1nnc(COc2ccc(Br)cc2)o1 ZINC000000859846 559290530 /nfs/dbraw/zinc/29/05/30/559290530.db2.gz UPYPCMKYYNLQAL-UHFFFAOYSA-N 0 0 411.708 5.357 40 0 HKABRN CC(C)COc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000000861575 559290673 /nfs/dbraw/zinc/29/06/73/559290673.db2.gz NPLSMIACLRTIPW-UHFFFAOYSA-N 0 0 422.912 5.879 40 0 HKABRN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(Br)o1 ZINC000000861604 559290675 /nfs/dbraw/zinc/29/06/75/559290675.db2.gz KQQVXROIIUDTGL-UHFFFAOYSA-N 0 0 415.268 5.277 40 0 HKABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(O)c(-c2nc3cc(C)ccc3o2)c1 ZINC000000861605 559290627 /nfs/dbraw/zinc/29/06/27/559290627.db2.gz LCNBTVNDKBIFQV-UHFFFAOYSA-N 0 0 408.841 5.423 40 0 HKABRN CCc1ccc2oc(-c3cccc(NC(=O)c4cc(OC)cc(OC)c4)c3)nc2c1 ZINC000000861645 559290772 /nfs/dbraw/zinc/29/07/72/559290772.db2.gz IMDCEACZBGNNON-UHFFFAOYSA-N 0 0 402.450 5.327 40 0 HKABRN Clc1ccc(CSc2nnc(COc3ccc(Br)cc3)o2)cc1 ZINC000000862984 559291254 /nfs/dbraw/zinc/29/12/54/559291254.db2.gz YTMWJAYZHWZTEN-UHFFFAOYSA-N 0 0 411.708 5.357 40 0 HKABRN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(Cl)c(Cl)c1 ZINC000000862993 560554522 /nfs/dbraw/zinc/55/45/22/560554522.db2.gz XLMOJNFRXUQFCU-UHFFFAOYSA-N 0 0 414.701 5.428 40 0 HKABRN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cccc(C(F)(F)F)c1 ZINC000000862994 559291244 /nfs/dbraw/zinc/29/12/44/559291244.db2.gz OIGJQPAHYMYPDE-UHFFFAOYSA-N 0 0 413.808 5.140 40 0 HKABRN NC(=O)c1sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c2c1N ZINC000000863295 559291356 /nfs/dbraw/zinc/29/13/56/559291356.db2.gz UCCPBCQKEIRDHW-UHFFFAOYSA-N 0 0 414.317 5.618 40 0 HKABRN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N(c1ccccc1)c1ccccc1 ZINC000000863297 560554528 /nfs/dbraw/zinc/55/45/28/560554528.db2.gz VUHGDQCVWDINLG-UHFFFAOYSA-N 0 0 421.909 5.847 40 0 HKABRN Cc1cccc(-c2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)c1 ZINC000000863298 569282383 /nfs/dbraw/zinc/28/23/83/569282383.db2.gz VHRMUBCZNVPOQJ-UHFFFAOYSA-N 0 0 401.491 5.502 40 0 HKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(Cl)c3Cl)cc12 ZINC000000863658 559291812 /nfs/dbraw/zinc/29/18/12/559291812.db2.gz DUQMAFNLGYMWFG-UHFFFAOYSA-N 0 0 402.306 5.955 40 0 HKABRN Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccc(Br)cc1 ZINC000000863694 559291297 /nfs/dbraw/zinc/29/12/97/559291297.db2.gz XWGBZLIXMGNMEZ-UHFFFAOYSA-N 0 0 415.312 5.324 40 0 HKABRN CC(=O)Nc1ccc(NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1 ZINC000000864589 559291960 /nfs/dbraw/zinc/29/19/60/559291960.db2.gz WDPLVUWCIYXTHT-UHFFFAOYSA-N 0 0 416.587 5.816 40 0 HKABRN O=C(Nc1ccccc1)c1cc(Oc2ccc(Br)cc2)nc2ccccc21 ZINC000000864928 559292483 /nfs/dbraw/zinc/29/24/83/559292483.db2.gz QPLWNLVIMRCSLD-UHFFFAOYSA-N 0 0 419.278 6.042 40 0 HKABRN Cc1ccc2nc(Nc3ccc(C(=O)N4CCCC4)cc3)nc(-c3ccccc3)c2c1 ZINC000000867583 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ZINC000000882774 560540003 /nfs/dbraw/zinc/54/00/03/560540003.db2.gz LRXGHJGCXWHVDW-UHFFFAOYSA-N 0 0 424.545 5.244 40 0 HKABRN CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3cccc4ccccc43)n21 ZINC000000882848 560540017 /nfs/dbraw/zinc/54/00/17/560540017.db2.gz WPXFCPYEZICAIB-UHFFFAOYSA-N 0 0 414.534 5.120 40 0 HKABRN COc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-c2ccccc2)cc1 ZINC000000882927 560540064 /nfs/dbraw/zinc/54/00/64/560540064.db2.gz UKYDZIYHHPGMSZ-UHFFFAOYSA-N 0 0 422.554 5.054 40 0 HKABRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1C1CCCCC1 ZINC000000882940 560540057 /nfs/dbraw/zinc/54/00/57/560540057.db2.gz NWZXEDQYDQHSBY-UHFFFAOYSA-N 0 0 413.374 5.383 40 0 HKABRN Cc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000000883192 560540087 /nfs/dbraw/zinc/54/00/87/560540087.db2.gz LDSMCLRBLOHWGY-UHFFFAOYSA-N 0 0 417.534 5.137 40 0 HKABRN Cc1ccc2cc(CN(Cc3ccccc3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 ZINC000000883228 560540075 /nfs/dbraw/zinc/54/00/75/560540075.db2.gz VIBGBDQNJGYTKN-UHFFFAOYSA-N 0 0 413.546 5.236 40 0 HKABRN Cc1ccc(NC(=S)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCCC2)cc1 ZINC000000883280 560540180 /nfs/dbraw/zinc/54/01/80/560540180.db2.gz QZOKMKIRCZQCHM-UHFFFAOYSA-N 0 0 419.594 5.677 40 0 HKABRN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000000883860 560540175 /nfs/dbraw/zinc/54/01/75/560540175.db2.gz JEHVIBZKKNYQLD-UHFFFAOYSA-N 0 0 403.429 5.202 40 0 HKABRN Cc1cccc2cc(CN(Cc3cccs3)C(=S)Nc3ccccc3)c(=O)[nH]c12 ZINC000000884504 560540261 /nfs/dbraw/zinc/54/02/61/560540261.db2.gz DGQVHYXHALCJEG-UHFFFAOYSA-N 0 0 419.575 5.297 40 0 HKABRN Cc1cccc(NC(=S)N(Cc2ccco2)Cc2cc3cc(C)ccc3[nH]c2=O)c1 ZINC000000884804 560540520 /nfs/dbraw/zinc/54/05/20/560540520.db2.gz JUZXLTBNWHHZAL-UHFFFAOYSA-N 0 0 417.534 5.137 40 0 HKABRN Cc1cccc(NC(=S)N(Cc2ccco2)Cc2cc3ccc(C)cc3[nH]c2=O)c1 ZINC000000884808 560540512 /nfs/dbraw/zinc/54/05/12/560540512.db2.gz VAQQFDZENOYYOG-UHFFFAOYSA-N 0 0 417.534 5.137 40 0 HKABRN Cc1cccc(NC(=S)N(Cc2ccco2)Cc2cc3cccc(C)c3[nH]c2=O)c1 ZINC000000884810 560540515 /nfs/dbraw/zinc/54/05/15/560540515.db2.gz PJTZNDJFNSNROD-UHFFFAOYSA-N 0 0 417.534 5.137 40 0 HKABRN Cc1cccc(NC(=S)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCC2)c1 ZINC000000884932 560540289 /nfs/dbraw/zinc/54/02/89/560540289.db2.gz RRSSMBDJPXZQTP-UHFFFAOYSA-N 0 0 405.567 5.287 40 0 HKABRN Cc1cccc(NC(=S)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCC2)c1 ZINC000000884933 560540298 /nfs/dbraw/zinc/54/02/98/560540298.db2.gz ONLJWJPSELCATL-UHFFFAOYSA-N 0 0 405.567 5.287 40 0 HKABRN Cc1cccc(NC(=S)N(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCC2)c1 ZINC000000884934 557110841 /nfs/dbraw/zinc/11/08/41/557110841.db2.gz ZGWYPCBGSPDBEJ-UHFFFAOYSA-N 0 0 405.567 5.287 40 0 HKABRN Cc1ccc(NC(=S)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCC2)c(C)c1 ZINC000000885074 560540653 /nfs/dbraw/zinc/54/06/53/560540653.db2.gz BYYTUMCJMJOEGL-UHFFFAOYSA-N 0 0 419.594 5.595 40 0 HKABRN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(Br)cc4)cc3n2)cc1C ZINC000000885969 560541382 /nfs/dbraw/zinc/54/13/82/560541382.db2.gz CWXRNKGCFUDPGY-UHFFFAOYSA-N 0 0 421.298 5.052 40 0 HKABRN S=C(Nc1ccccc1)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000000886876 560541717 /nfs/dbraw/zinc/54/17/17/560541717.db2.gz HUJNAXQVFZTBDR-UHFFFAOYSA-N 0 0 403.334 6.381 40 0 HKABRN COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2c(C)cccc12 ZINC000000887010 560541733 /nfs/dbraw/zinc/54/17/33/560541733.db2.gz OAJJFVUWFFEPQT-UHFFFAOYSA-N 0 0 415.518 5.345 40 0 HKABRN COc1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)nc2ccccc21 ZINC000000887034 560541727 /nfs/dbraw/zinc/54/17/27/560541727.db2.gz SXUHFKJWEPCIIW-UHFFFAOYSA-N 0 0 415.518 5.345 40 0 HKABRN COc1ccc2nc(C)cc(SCC(=O)Nc3cc(Cl)ccc3Cl)c2c1 ZINC000000887578 560541718 /nfs/dbraw/zinc/54/17/18/560541718.db2.gz ZTGMOQNPCVOLGH-UHFFFAOYSA-N 0 0 407.322 5.589 40 0 HKABRN O=C(CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000000887588 560541738 /nfs/dbraw/zinc/54/17/38/560541738.db2.gz CYCFNIGBNODHJR-UHFFFAOYSA-N 0 0 421.909 5.268 40 0 HKABRN COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)c1 ZINC000000887732 557111656 /nfs/dbraw/zinc/11/16/56/557111656.db2.gz KGXIKJCXGYGOHP-UHFFFAOYSA-N 0 0 407.857 5.153 40 0 HKABRN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccccc1 ZINC000000888228 560541956 /nfs/dbraw/zinc/54/19/56/560541956.db2.gz KFCKTCHCBFRHIS-UHFFFAOYSA-N 0 0 420.925 5.319 40 0 HKABRN O=C(CSc1nc(-c2ccccc2)nc2ccccc21)Nc1ccc(Cl)cc1 ZINC000000888320 560541954 /nfs/dbraw/zinc/54/19/54/560541954.db2.gz MSWWAUNYQCKHQT-UHFFFAOYSA-N 0 0 405.910 5.681 40 0 HKABRN O=C(CSc1nc(-c2ccc(Cl)cc2)nc2ccccc21)Nc1ccc(F)cc1 ZINC000000888323 560542006 /nfs/dbraw/zinc/54/20/06/560542006.db2.gz DAVUKWYFSDLIOW-UHFFFAOYSA-N 0 0 423.900 5.820 40 0 HKABRN Clc1ccc(OCc2nnc(SCc3ccc(Cl)cc3Cl)o2)cc1 ZINC000000888328 560541933 /nfs/dbraw/zinc/54/19/33/560541933.db2.gz AHURGHMNJIQTMR-UHFFFAOYSA-N 0 0 401.702 5.901 40 0 HKABRN Cc1cc(C)c2c(N)c(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)sc2n1 ZINC000000888466 560726128 /nfs/dbraw/zinc/72/61/28/560726128.db2.gz JCBNTDQLABGXBD-UHFFFAOYSA-N 0 0 400.718 5.708 40 0 HKABRN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000000889287 560542377 /nfs/dbraw/zinc/54/23/77/560542377.db2.gz NODGGCSNXDZVRD-UHTWSYAYSA-N 0 0 415.575 5.805 40 0 HKABRN O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)Nc1ccccc1 ZINC000000890770 560542341 /nfs/dbraw/zinc/54/23/41/560542341.db2.gz RFGVJRVHYZDBSW-UHFFFAOYSA-N 0 0 407.392 5.032 40 0 HKABRN CCOc1ccc2cc3c(N)c(C(=O)Nc4c(CC)cccc4CC)sc3nc2c1 ZINC000000891591 560543061 /nfs/dbraw/zinc/54/30/61/560543061.db2.gz HJRQKKNFSWPBHL-UHFFFAOYSA-N 0 0 419.550 5.808 40 0 HKABRN CCOc1ccc2cc3c(N)c(C(=O)Nc4ccc(C(C)C)cc4)sc3nc2c1 ZINC000000891595 560543020 /nfs/dbraw/zinc/54/30/20/560543020.db2.gz JBBSKKMUFFPUGM-UHFFFAOYSA-N 0 0 405.523 5.806 40 0 HKABRN CC(=O)c1c(C)n(-c2ccc(C)c(NC(=O)c3ccccc3Cl)c2)c(C)c1C(C)=O ZINC000000892061 560542701 /nfs/dbraw/zinc/54/27/01/560542701.db2.gz ZIVLVLXZOKNOFW-UHFFFAOYSA-N 0 0 422.912 5.713 40 0 HKABRN COc1ccccc1NC(=O)CSc1nnc(C2CCCCC2)n1-c1ccccc1 ZINC000000892191 560542811 /nfs/dbraw/zinc/54/28/11/560542811.db2.gz RQEUPQIKUCZLRN-UHFFFAOYSA-N 0 0 422.554 5.054 40 0 HKABRN Cc1ccc(C(=O)N(CC(=O)Nc2ccc(Cl)c(Cl)c2)Cc2ccco2)cc1 ZINC000000892261 560542800 /nfs/dbraw/zinc/54/28/00/560542800.db2.gz RUBXEDMQSGMJGH-UHFFFAOYSA-N 0 0 417.292 5.176 40 0 HKABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1sc2cc(C)ccc2c1Cl ZINC000000892382 560543237 /nfs/dbraw/zinc/54/32/37/560543237.db2.gz GYSBDSVIQDBOCC-UHFFFAOYSA-N 0 0 407.944 5.970 40 0 HKABRN CCc1ccccc1NC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000000894890 560543592 /nfs/dbraw/zinc/54/35/92/560543592.db2.gz PZKXEAYMDGMPFM-UHFFFAOYSA-N 0 0 419.594 5.541 40 0 HKABRN CCc1ccccc1NC(=O)CSc1ncnc2c(-c3ccc(F)cc3)nsc21 ZINC000000896150 560543746 /nfs/dbraw/zinc/54/37/46/560543746.db2.gz VUXRMYCSLLEUGG-UHFFFAOYSA-N 0 0 424.526 5.186 40 0 HKABRN Cc1cccc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)nsc32)c1C ZINC000000896162 560543733 /nfs/dbraw/zinc/54/37/33/560543733.db2.gz AHTLOXQNIREVBC-UHFFFAOYSA-N 0 0 424.526 5.240 40 0 HKABRN Cc1ccc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)nsc32)cc1C ZINC000000896170 560543740 /nfs/dbraw/zinc/54/37/40/560543740.db2.gz VNWXFNUNUNRYBJ-UHFFFAOYSA-N 0 0 424.526 5.240 40 0 HKABRN O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccc(Br)cc1 ZINC000000896451 560543736 /nfs/dbraw/zinc/54/37/36/560543736.db2.gz WDNFJVYUCXONEQ-UHFFFAOYSA-N 0 0 412.283 5.046 40 0 HKABRN Cc1cc(OC(=O)c2cccc(C(=O)Oc3ccc(Cl)c(C)c3)n2)ccc1Cl ZINC000000898398 560543941 /nfs/dbraw/zinc/54/39/41/560543941.db2.gz MTHHREDWIGUTHD-UHFFFAOYSA-N 0 0 416.260 5.444 40 0 HKABRN Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc4ccccc43)n2C)cc1 ZINC000000898492 560544009 /nfs/dbraw/zinc/54/40/09/560544009.db2.gz FVPPYFKFURERMX-INIZCTEOSA-N 0 0 402.523 5.063 40 0 HKABRN Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc4ccccc43)n2C)cc1 ZINC000000898496 560543994 /nfs/dbraw/zinc/54/39/94/560543994.db2.gz FVPPYFKFURERMX-MRXNPFEDSA-N 0 0 402.523 5.063 40 0 HKABRN CCn1c(CNc2ccc(OC)cc2)nnc1SCc1c(F)cccc1Cl ZINC000000899052 560544044 /nfs/dbraw/zinc/54/40/44/560544044.db2.gz GLLMBYWGWAOTRB-UHFFFAOYSA-N 0 0 406.914 5.004 40 0 HKABRN CCn1c(CNc2ccc(C)cc2C)nnc1SCc1c(F)cccc1Cl ZINC000000899217 560544161 /nfs/dbraw/zinc/54/41/61/560544161.db2.gz KEVXYIVBTKSFDK-UHFFFAOYSA-N 0 0 404.942 5.612 40 0 HKABRN COc1ccc(-c2nnc(-c3cc(-c4ccc(OC)cc4)nc4ccccc43)o2)cc1 ZINC000000899619 560544152 /nfs/dbraw/zinc/54/41/52/560544152.db2.gz VNDDSUIYZUZLAQ-UHFFFAOYSA-N 0 0 409.445 5.636 40 0 HKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)cc1 ZINC000000900604 560544271 /nfs/dbraw/zinc/54/42/71/560544271.db2.gz RHTLOFHAESFJOZ-UHFFFAOYSA-N 0 0 414.534 5.033 40 0 HKABRN Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)c1 ZINC000000900607 560544287 /nfs/dbraw/zinc/54/42/87/560544287.db2.gz PONJAWJYTVMQSR-UHFFFAOYSA-N 0 0 414.534 5.033 40 0 HKABRN CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1C1CCCCC1 ZINC000000900802 560544258 /nfs/dbraw/zinc/54/42/58/560544258.db2.gz FGZYMZQHBKAMNQ-UHFFFAOYSA-N 0 0 420.582 5.803 40 0 HKABRN Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000000900878 560544281 /nfs/dbraw/zinc/54/42/81/560544281.db2.gz ZAZDFAJAGBAUDB-CQSZACIVSA-N 0 0 417.456 5.590 40 0 HKABRN Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000000900884 560544297 /nfs/dbraw/zinc/54/42/97/560544297.db2.gz ZAZDFAJAGBAUDB-AWEZNQCLSA-N 0 0 417.456 5.590 40 0 HKABRN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCCCC1 ZINC000000901007 569048908 /nfs/dbraw/zinc/04/89/08/569048908.db2.gz ICPZPLACSHDROF-AWEZNQCLSA-N 0 0 409.477 5.046 40 0 HKABRN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCCCC1 ZINC000000901009 569048957 /nfs/dbraw/zinc/04/89/57/569048957.db2.gz ICPZPLACSHDROF-CQSZACIVSA-N 0 0 409.477 5.046 40 0 HKABRN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccccc1F ZINC000000901602 557114743 /nfs/dbraw/zinc/11/47/43/557114743.db2.gz CGESPGQTZCJCJF-UHFFFAOYSA-N 0 0 413.421 5.094 40 0 HKABRN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NC1CCCCCC1 ZINC000000901609 560544358 /nfs/dbraw/zinc/54/43/58/560544358.db2.gz PVHBXKQOJDJEFL-UHFFFAOYSA-N 0 0 415.506 5.155 40 0 HKABRN Cc1ccc(C)c(NC(=O)CSc2nnc3cc(C)c4cc(C)cc(C)c4n32)c1 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0 HKABRN Cc1ccc(C)c(NC(=O)CSc2nnc3c(C)cc4ccc(C)c(C)c4n23)c1 ZINC000000903116 560544700 /nfs/dbraw/zinc/54/47/00/560544700.db2.gz WKIJSRLZKLLRSL-UHFFFAOYSA-N 0 0 404.539 5.155 40 0 HKABRN Cc1cc2ccc(C)c(C)c2n2c(SCC(=O)Nc3c(C)cccc3C)nnc12 ZINC000000903127 560544718 /nfs/dbraw/zinc/54/47/18/560544718.db2.gz RJUSTWYRVNDXKZ-UHFFFAOYSA-N 0 0 404.539 5.155 40 0 HKABRN Cc1cc2ccc(C)c(C)c2n2c(SCC(=O)Nc3cccc(C)c3C)nnc12 ZINC000000903129 560544741 /nfs/dbraw/zinc/54/47/41/560544741.db2.gz LUHLXXMJKIVMAM-UHFFFAOYSA-N 0 0 404.539 5.155 40 0 HKABRN Cc1cc(C)c(NC(=O)CSc2nnc3c(C)cc4ccc(C)c(C)c4n23)c(C)c1 ZINC000000903138 560544691 /nfs/dbraw/zinc/54/46/91/560544691.db2.gz UJSSBJFCOLFNAR-UHFFFAOYSA-N 0 0 418.566 5.464 40 0 HKABRN Cc1ccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c32)c(C)c1 ZINC000000904210 560544873 /nfs/dbraw/zinc/54/48/73/560544873.db2.gz DIYAKDAYFGNFOT-UHFFFAOYSA-N 0 0 405.548 5.706 40 0 HKABRN CCOc1ccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000000904211 560544859 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Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1C ZINC000000919555 560554702 /nfs/dbraw/zinc/55/47/02/560554702.db2.gz WSDYZVPIEUZRLV-WMLDXEAASA-N 0 0 404.392 5.006 40 0 HKABRN Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1C ZINC000000919559 560554581 /nfs/dbraw/zinc/55/45/81/560554581.db2.gz WSDYZVPIEUZRLV-RHSMWYFYSA-N 0 0 404.392 5.006 40 0 HKABRN Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1C ZINC000000919561 560554550 /nfs/dbraw/zinc/55/45/50/560554550.db2.gz WSDYZVPIEUZRLV-YOEHRIQHSA-N 0 0 404.392 5.006 40 0 HKABRN O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc21)Nc1ccccc1F ZINC000000922137 560556152 /nfs/dbraw/zinc/55/61/52/560556152.db2.gz ZZAGHVJUBZISJP-UHFFFAOYSA-N 0 0 407.445 5.306 40 0 HKABRN CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NC3CCCC3)c2c1 ZINC000000922142 560556195 /nfs/dbraw/zinc/55/61/95/560556195.db2.gz JLLISJYAVLYSHU-UHFFFAOYSA-N 0 0 409.530 5.149 40 0 HKABRN O=C(CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc21)Nc1ccccc1 ZINC000000922155 560556188 /nfs/dbraw/zinc/55/61/88/560556188.db2.gz XLJGCPNYBTZZOL-UHFFFAOYSA-N 0 0 407.445 5.306 40 0 HKABRN C[C@H]1CCCCN1C(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc21 ZINC000000922166 560556158 /nfs/dbraw/zinc/55/61/58/560556158.db2.gz KSJKJHHOQVRHPB-AWEZNQCLSA-N 0 0 413.493 5.068 40 0 HKABRN C[C@@H]1CCCCN1C(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc21 ZINC000000922168 560556204 /nfs/dbraw/zinc/55/62/04/560556204.db2.gz KSJKJHHOQVRHPB-CQSZACIVSA-N 0 0 413.493 5.068 40 0 HKABRN CCc1ccc2nc(-c3cccc(C)c3)nc(SCC(=O)N3CCC(C)CC3)c2c1 ZINC000000922178 560556150 /nfs/dbraw/zinc/55/61/50/560556150.db2.gz TZKOOAVLLGJACM-UHFFFAOYSA-N 0 0 419.594 5.518 40 0 HKABRN O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccccc1-c1ccccc1 ZINC000000922340 560556271 /nfs/dbraw/zinc/55/62/71/560556271.db2.gz FYCYGPFIVUAKML-UHFFFAOYSA-N 0 0 405.454 5.274 40 0 HKABRN CCc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccccc3)C3CCCC3)cc2c1 ZINC000000924175 560556523 /nfs/dbraw/zinc/55/65/23/560556523.db2.gz CYJLCXXMENNZNM-UHFFFAOYSA-N 0 0 405.567 5.232 40 0 HKABRN CCc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccc(C)cc3)C3CCCC3)cc2c1 ZINC000000924176 560556528 /nfs/dbraw/zinc/55/65/28/560556528.db2.gz BYFBSXDNLDBJLL-UHFFFAOYSA-N 0 0 419.594 5.541 40 0 HKABRN Cc1cccc(C)c1NC(=O)CSc1ncnc2scc(-c3ccccc3)c21 ZINC000000924416 560556559 /nfs/dbraw/zinc/55/65/59/560556559.db2.gz MLIJOJXBSFWWIP-UHFFFAOYSA-N 0 0 405.548 5.706 40 0 HKABRN O=C(CSc1ncnc2scc(-c3ccccc3)c21)N1CCc2ccccc2C1 ZINC000000924431 557119823 /nfs/dbraw/zinc/11/98/23/557119823.db2.gz DCQVDBLFVOYXED-UHFFFAOYSA-N 0 0 417.559 5.035 40 0 HKABRN COc1ccc(F)cc1C(=O)CSc1ncnc2scc(-c3ccccc3)c21 ZINC000000924435 560556530 /nfs/dbraw/zinc/55/65/30/560556530.db2.gz CZTCAUMERKWYNN-UHFFFAOYSA-N 0 0 410.495 5.481 40 0 HKABRN Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)c1C ZINC000000924485 560556557 /nfs/dbraw/zinc/55/65/57/560556557.db2.gz YXQKVIKSNOXPKI-UHFFFAOYSA-N 0 0 421.570 5.193 40 0 HKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)cc1C ZINC000000924486 560556661 /nfs/dbraw/zinc/55/66/61/560556661.db2.gz FEXJNZZDFRLQMU-UHFFFAOYSA-N 0 0 421.570 5.193 40 0 HKABRN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1C1CCCCC1 ZINC000000924487 560556658 /nfs/dbraw/zinc/55/66/58/560556658.db2.gz RYIQEXJJKWBSSZ-UHFFFAOYSA-N 0 0 421.570 5.193 40 0 HKABRN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)c1 ZINC000000924489 560556648 /nfs/dbraw/zinc/55/66/48/560556648.db2.gz CUUYMJFQDVHVDA-UHFFFAOYSA-N 0 0 421.570 5.193 40 0 HKABRN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)c1 ZINC000000924518 560556651 /nfs/dbraw/zinc/55/66/51/560556651.db2.gz BKUSGKFNZPADLS-UHFFFAOYSA-N 0 0 421.570 5.193 40 0 HKABRN Cc1cccc(-c2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)n2C)c1 ZINC000000924664 560556650 /nfs/dbraw/zinc/55/66/50/560556650.db2.gz WZJQGULHBGRCBS-UHFFFAOYSA-N 0 0 414.534 5.248 40 0 HKABRN COc1ccccc1OCc1nnc(SCc2ccccc2)n1-c1ccccc1 ZINC000000924708 560556645 /nfs/dbraw/zinc/55/66/45/560556645.db2.gz MELXOVZZTLGTPF-UHFFFAOYSA-N 0 0 403.507 5.147 40 0 HKABRN Cc1nnc(SCC(=O)Nc2cccc3ccccc32)n1-c1cccc(Cl)c1 ZINC000000925052 560556741 /nfs/dbraw/zinc/55/67/41/560556741.db2.gz OWAMNFFOZCLZCE-UHFFFAOYSA-N 0 0 408.914 5.113 40 0 HKABRN Cc1ccc(C(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)cc1 ZINC000000925168 560556752 /nfs/dbraw/zinc/55/67/52/560556752.db2.gz XLFZCSPKTIFLBB-UHFFFAOYSA-N 0 0 413.546 5.201 40 0 HKABRN Cc1ccc(OC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)cc1 ZINC000000925342 560556860 /nfs/dbraw/zinc/55/68/60/560556860.db2.gz UTQTYOMAQWDHPT-UHFFFAOYSA-N 0 0 415.518 5.249 40 0 HKABRN CCn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000000925356 560556824 /nfs/dbraw/zinc/55/68/24/560556824.db2.gz UVOOLWLQWKDZED-UHFFFAOYSA-N 0 0 421.353 5.192 40 0 HKABRN COc1ccc(-n2c(CNc3ccc(C)cc3)nnc2SCc2ccccc2)cc1 ZINC000000925365 560556834 /nfs/dbraw/zinc/55/68/34/560556834.db2.gz HXOBYALENINJQU-UHFFFAOYSA-N 0 0 416.550 5.489 40 0 HKABRN Cc1ccc2cc(CN(C(=O)Nc3cccc(Cl)c3)C3CCCC3)c(=O)[nH]c2c1C ZINC000000925616 560556820 /nfs/dbraw/zinc/55/68/20/560556820.db2.gz WIKVGQZBGUROND-UHFFFAOYSA-N 0 0 423.944 5.775 40 0 HKABRN CCc1ccc(NC(=S)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCC2)cc1 ZINC000000928175 560557120 /nfs/dbraw/zinc/55/71/20/560557120.db2.gz VCTDTHAPGRHBKZ-UHFFFAOYSA-N 0 0 419.594 5.541 40 0 HKABRN CCc1ccc(NC(=S)N(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCC2)cc1 ZINC000000928183 560557096 /nfs/dbraw/zinc/55/70/96/560557096.db2.gz FNPANKQIBDCYKH-UHFFFAOYSA-N 0 0 419.594 5.541 40 0 HKABRN O=C(CSc1nnc(-c2cccs2)o1)N(C1CCCCC1)C1CCCCC1 ZINC000000928221 560557130 /nfs/dbraw/zinc/55/71/30/560557130.db2.gz TUCHCHCRQWBTQH-UHFFFAOYSA-N 0 0 405.589 5.384 40 0 HKABRN O=C(CSc1nnc(-c2cccs2)o1)N1c2ccccc2CCc2ccccc21 ZINC000000928225 560557098 /nfs/dbraw/zinc/55/70/98/560557098.db2.gz VFIJKTLLWYGYOG-UHFFFAOYSA-N 0 0 419.531 5.354 40 0 HKABRN O=C(CSc1nnc(-c2cccs2)o1)N(Cc1ccccc1)c1ccccc1 ZINC000000928229 560557102 /nfs/dbraw/zinc/55/71/02/560557102.db2.gz IZTAOQINIPWPHY-UHFFFAOYSA-N 0 0 407.520 5.124 40 0 HKABRN COc1cc2cc(C)c(SCC(=O)Nc3cccc4ccccc43)nc2cc1OC ZINC000000928246 560557118 /nfs/dbraw/zinc/55/71/18/560557118.db2.gz CBEBZKRMGIHNQA-UHFFFAOYSA-N 0 0 418.518 5.444 40 0 HKABRN Cc1cc2cc3c(cc2nc1SCC(=O)Nc1cccc2ccccc21)OCCO3 ZINC000000928299 560557077 /nfs/dbraw/zinc/55/70/77/560557077.db2.gz CYZNAJGGFXJLGT-UHFFFAOYSA-N 0 0 416.502 5.198 40 0 HKABRN CCN(CC)c1ccc(NC(=O)CSc2ncnc3sc(C)c(C)c32)cc1C ZINC000000928941 560557397 /nfs/dbraw/zinc/55/73/97/560557397.db2.gz YFFRXMLOYGAMMO-UHFFFAOYSA-N 0 0 414.600 5.194 40 0 HKABRN Cc1sc2ncnc(SCC(=O)Nc3ccccc3N3CCCCC3)c2c1C ZINC000000928950 526901865 /nfs/dbraw/zinc/90/18/65/526901865.db2.gz FADPGISSUXNOCZ-UHFFFAOYSA-N 0 0 412.584 5.029 40 0 HKABRN COc1ccc(-c2csc(NC(=O)c3c(C)nn(-c4ccccc4)c3Cl)n2)cc1 ZINC000000929058 557119807 /nfs/dbraw/zinc/11/98/07/557119807.db2.gz UQUKVSSIUVTIDC-UHFFFAOYSA-N 0 0 424.913 5.219 40 0 HKABRN COc1ccc(-c2csc(N(C)C(=O)COc3cccc4ccccc43)n2)cc1 ZINC000000929064 560557477 /nfs/dbraw/zinc/55/74/77/560557477.db2.gz DHLIAVZWSPAIDP-UHFFFAOYSA-N 0 0 404.491 5.014 40 0 HKABRN COc1ccc(-c2csc(N(Cc3ccccc3)C(=O)C3CCCCC3)n2)cc1 ZINC000000929092 560557404 /nfs/dbraw/zinc/55/74/04/560557404.db2.gz YUIGVOHKCJKBSP-UHFFFAOYSA-N 0 0 406.551 5.932 40 0 HKABRN COc1ccc(-c2csc(N(Cc3ccccc3)C(=O)c3ccccc3C)n2)cc1 ZINC000000929094 560557366 /nfs/dbraw/zinc/55/73/66/560557366.db2.gz QVGOVFYXSCENLH-UHFFFAOYSA-N 0 0 414.530 5.974 40 0 HKABRN COc1ccc(-c2csc(N(Cc3ccccc3)C(=O)c3ccccc3F)n2)cc1 ZINC000000929103 560557503 /nfs/dbraw/zinc/55/75/03/560557503.db2.gz QEMOWUNRJHLKLV-UHFFFAOYSA-N 0 0 418.493 5.805 40 0 HKABRN COc1ccc(-c2csc(N(CCc3ccccc3)C(=O)c3ccco3)n2)cc1 ZINC000000929104 560557456 /nfs/dbraw/zinc/55/74/56/560557456.db2.gz VEYVQADRCOHEST-UHFFFAOYSA-N 0 0 404.491 5.301 40 0 HKABRN COc1ccc(-c2csc(N(CCc3ccccc3)C(=O)C3CCCCC3)n2)cc1 ZINC000000929105 560557493 /nfs/dbraw/zinc/55/74/93/560557493.db2.gz NWBNYFZTHKKWEA-UHFFFAOYSA-N 0 0 420.578 5.975 40 0 HKABRN COc1ccc(-c2csc(N(Cc3ccco3)C(=O)c3ccccc3C)n2)cc1 ZINC000000929166 560557520 /nfs/dbraw/zinc/55/75/20/560557520.db2.gz UTYBLIJPPMSURG-UHFFFAOYSA-N 0 0 404.491 5.567 40 0 HKABRN COc1ccc(-c2csc(N(Cc3ccco3)C(=O)c3ccccc3Cl)n2)cc1 ZINC000000929167 560557463 /nfs/dbraw/zinc/55/74/63/560557463.db2.gz PDAHIVCGQBKMQV-UHFFFAOYSA-N 0 0 424.909 5.912 40 0 HKABRN COc1ccc(-c2csc(N(Cc3ccco3)C(=O)COc3ccccc3)n2)cc1 ZINC000000929170 560557505 /nfs/dbraw/zinc/55/75/05/560557505.db2.gz FSNXSWMNIISYRV-UHFFFAOYSA-N 0 0 420.490 5.024 40 0 HKABRN COc1ccc(C(=O)N(Cc2ccco2)c2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000000929175 560557481 /nfs/dbraw/zinc/55/74/81/560557481.db2.gz GTOJDILGBPKJFL-UHFFFAOYSA-N 0 0 420.490 5.267 40 0 HKABRN COc1ccc(-c2csc(N(Cc3ccco3)C(=O)c3ccccc3F)n2)cc1 ZINC000000929182 560557485 /nfs/dbraw/zinc/55/74/85/560557485.db2.gz OSKJOFZLMLENJO-UHFFFAOYSA-N 0 0 408.454 5.398 40 0 HKABRN Cc1cc2c(C)ccc(C)c2n2c(SCC(=O)Nc3c(C)cccc3C)nnc12 ZINC000000929675 560557560 /nfs/dbraw/zinc/55/75/60/560557560.db2.gz VPWODPMJJOTXNL-UHFFFAOYSA-N 0 0 404.539 5.155 40 0 HKABRN C[C@H]1Cc2ccccc2N1C(=O)CSc1ccccc1NC(=O)c1ccc(F)cc1 ZINC000000929803 560557707 /nfs/dbraw/zinc/55/77/07/560557707.db2.gz MMRYWFCNPDYNRU-INIZCTEOSA-N 0 0 420.509 5.148 40 0 HKABRN C[C@@H]1Cc2ccccc2N1C(=O)CSc1ccccc1NC(=O)c1ccc(F)cc1 ZINC000000929804 560557689 /nfs/dbraw/zinc/55/76/89/560557689.db2.gz MMRYWFCNPDYNRU-MRXNPFEDSA-N 0 0 420.509 5.148 40 0 HKABRN CN(C)c1ccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000000929823 560557910 /nfs/dbraw/zinc/55/79/10/560557910.db2.gz OXRUAAJYXCZDGY-UHFFFAOYSA-N 0 0 420.563 5.155 40 0 HKABRN Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1C(F)(F)F)OCO3 ZINC000000929873 560557895 /nfs/dbraw/zinc/55/78/95/560557895.db2.gz AMYZMSDFPGCRHG-UHFFFAOYSA-N 0 0 420.412 5.022 40 0 HKABRN Cc1cc2cc3c(cc2nc1SCC(=O)Nc1cccc(C(F)(F)F)c1)OCO3 ZINC000000929877 560557897 /nfs/dbraw/zinc/55/78/97/560557897.db2.gz PQJOTLYNSFFGOJ-UHFFFAOYSA-N 0 0 420.412 5.022 40 0 HKABRN Cn1c(CCc2nc3ccccc3[nH]2)nnc1SCc1ccc(C(C)(C)C)cc1 ZINC000000929959 560557842 /nfs/dbraw/zinc/55/78/42/560557842.db2.gz BWKZPABRBHHNEF-UHFFFAOYSA-N 0 0 405.571 5.066 40 0 HKABRN Cc1sc2c(c1C)C(c1ccccc1Cl)=NCC(=O)N2CC(=O)c1ccccc1 ZINC000000930315 560557887 /nfs/dbraw/zinc/55/78/87/560557887.db2.gz PQNGGAMKVSNNBC-UHFFFAOYSA-N 0 0 422.937 5.085 40 0 HKABRN Cc1sc2c(c1C)C(c1cccc(Cl)c1)=NCC(=O)N2CC(=O)c1ccccc1 ZINC000000930316 560557946 /nfs/dbraw/zinc/55/79/46/560557946.db2.gz NMBTXVLCSGVSPX-UHFFFAOYSA-N 0 0 422.937 5.085 40 0 HKABRN Cc1sc2c(c1C)C(c1cccs1)=NCC(=O)N2Cc1ccc(C(C)(C)C)cc1 ZINC000000930353 560557968 /nfs/dbraw/zinc/55/79/68/560557968.db2.gz CKBKLUMEYRSKNZ-UHFFFAOYSA-N 0 0 422.619 6.108 40 0 HKABRN O=C1CN=C(c2ccc(Cl)cc2)c2c3c(sc2N1Cc1ccccc1)CCC3 ZINC000000930365 560557922 /nfs/dbraw/zinc/55/79/22/560557922.db2.gz QQAFVUKAKIWTOZ-UHFFFAOYSA-N 0 0 406.938 5.274 40 0 HKABRN Cc1cccc(C2=NCC(=O)N(Cc3ccc(F)cc3)c3sc4c(c32)CCC4)c1 ZINC000000930368 560557923 /nfs/dbraw/zinc/55/79/23/560557923.db2.gz XGKPAUVIEGYSSV-UHFFFAOYSA-N 0 0 404.510 5.069 40 0 HKABRN O=C1CN=C(c2ccc(Cl)cc2)c2c3c(sc2N1Cc1ccncc1)CCCC3 ZINC000000930412 560557916 /nfs/dbraw/zinc/55/79/16/560557916.db2.gz IYWDGUDGALGISY-UHFFFAOYSA-N 0 0 421.953 5.060 40 0 HKABRN O=C1CN=C(c2ccc(F)cc2)c2c3c(sc2N1Cc1ccc(F)cc1)CCCC3 ZINC000000930414 560557938 /nfs/dbraw/zinc/55/79/38/560557938.db2.gz ASSSHDQELOVFNU-UHFFFAOYSA-N 0 0 422.500 5.289 40 0 HKABRN Cc1nc2ccc(NC(=O)Nc3ccccc3)cc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000000930640 560557928 /nfs/dbraw/zinc/55/79/28/560557928.db2.gz LWTHHVWFNPCJBE-UHFFFAOYSA-N 0 0 418.884 5.051 40 0 HKABRN CCCc1nc2ccc(NC(=O)C(C)(C)C)cc2c(=O)n1Cc1ccccc1Cl ZINC000000930647 560557915 /nfs/dbraw/zinc/55/79/15/560557915.db2.gz RUJVBVYXXSRAEK-UHFFFAOYSA-N 0 0 411.933 5.035 40 0 HKABRN CCCc1nc2ccc(NC(C)=O)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 ZINC000000930722 560557920 /nfs/dbraw/zinc/55/79/20/560557920.db2.gz LVEHMJPZKVXRKG-UHFFFAOYSA-N 0 0 411.505 5.023 40 0 HKABRN CCCc1nc2ccc(NC(=O)C(C)(C)C)cc2c(=O)n1Cc1cccc(Cl)c1 ZINC000000930754 560557934 /nfs/dbraw/zinc/55/79/34/560557934.db2.gz DNNWAZJMQLBYOL-UHFFFAOYSA-N 0 0 411.933 5.035 40 0 HKABRN Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)Nc3ccccc3)C3CCCC3)cc2c1 ZINC000000931493 560558142 /nfs/dbraw/zinc/55/81/42/560558142.db2.gz WBPPSURBJHIHGO-UHFFFAOYSA-N 0 0 405.567 5.287 40 0 HKABRN Cc1ccc(NC(=S)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C2CCCC2)cc1 ZINC000000931494 560558206 /nfs/dbraw/zinc/55/82/06/560558206.db2.gz MWIXOYBMASOQBS-UHFFFAOYSA-N 0 0 419.594 5.595 40 0 HKABRN Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)Nc3ccc(F)cc3)C3CCCC3)cc2c1 ZINC000000931495 560558153 /nfs/dbraw/zinc/55/81/53/560558153.db2.gz DXDAEDBJKAJNDI-UHFFFAOYSA-N 0 0 423.557 5.426 40 0 HKABRN Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)NC3CCCCC3)C3CCCC3)cc2c1 ZINC000000931507 560558255 /nfs/dbraw/zinc/55/82/55/560558255.db2.gz OFJJSKGKQLFIJY-UHFFFAOYSA-N 0 0 411.615 5.097 40 0 HKABRN Cc1ccc2cc(CN(Cc3ccco3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1C ZINC000000931839 560558425 /nfs/dbraw/zinc/55/84/25/560558425.db2.gz DNALJMGDAHTTBC-UHFFFAOYSA-N 0 0 417.534 5.137 40 0 HKABRN Cc1ccc2cc(CN(C(=S)Nc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000000931881 560558605 /nfs/dbraw/zinc/55/86/05/560558605.db2.gz HOERBHCNCQTESH-UHFFFAOYSA-N 0 0 419.594 5.677 40 0 HKABRN Cc1ccc(-c2nnn([C@@H](C)C(=O)N3c4ccccc4Sc4ccccc43)n2)cc1 ZINC000000932064 525867994 /nfs/dbraw/zinc/86/79/94/525867994.db2.gz XJJUBHXLVOULGN-INIZCTEOSA-N 0 0 413.506 5.039 40 0 HKABRN Cc1ccc(-c2nnn([C@H](C)C(=O)N3c4ccccc4Sc4ccccc43)n2)cc1 ZINC000000932065 525868241 /nfs/dbraw/zinc/86/82/41/525868241.db2.gz XJJUBHXLVOULGN-MRXNPFEDSA-N 0 0 413.506 5.039 40 0 HKABRN O=C(c1cccc(F)c1)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000000932628 560558962 /nfs/dbraw/zinc/55/89/62/560558962.db2.gz FHHQVQHSKNBFKB-UHFFFAOYSA-N 0 0 402.494 5.839 40 0 HKABRN CCN(C(=O)c1ccc(Br)cc1)c1nc(-c2ccc(C)cc2)cs1 ZINC000000932661 560558956 /nfs/dbraw/zinc/55/89/56/560558956.db2.gz IXWBFQYXKRWZPC-UHFFFAOYSA-N 0 0 401.329 5.548 40 0 HKABRN Cc1ccc(-c2csc(N(Cc3ccccc3)C(=O)COc3ccccc3)n2)cc1 ZINC000000932671 560558783 /nfs/dbraw/zinc/55/87/83/560558783.db2.gz NBROYOUTYYFNBB-UHFFFAOYSA-N 0 0 414.530 5.731 40 0 HKABRN Cc1ccc(-c2csc(N(Cc3ccccc3)C(=O)c3ccccc3F)n2)cc1 ZINC000000932672 560558767 /nfs/dbraw/zinc/55/87/67/560558767.db2.gz BGBQZPAOJCBWMD-UHFFFAOYSA-N 0 0 402.494 6.105 40 0 HKABRN Cc1ccc(-c2csc(N(CCc3ccccc3)C(=O)C3CCCCC3)n2)cc1 ZINC000000932677 560558827 /nfs/dbraw/zinc/55/88/27/560558827.db2.gz KPYOKRWKRKLHBK-UHFFFAOYSA-N 0 0 404.579 6.275 40 0 HKABRN Cc1ccc(-c2csc(N(CCc3ccccc3)C(=O)c3ccccc3F)n2)cc1 ZINC000000932680 560558862 /nfs/dbraw/zinc/55/88/62/560558862.db2.gz XSJOZAIQKBYQLO-UHFFFAOYSA-N 0 0 416.521 6.147 40 0 HKABRN Cc1ccc(-c2csc(N(CCc3ccccc3)C(=O)c3cccc(F)c3)n2)cc1 ZINC000000932681 560558853 /nfs/dbraw/zinc/55/88/53/560558853.db2.gz OFUFRNNHGZHOFV-UHFFFAOYSA-N 0 0 416.521 6.147 40 0 HKABRN Cc1ccc(-c2csc(N(C[C@H]3CCCO3)C(=O)c3ccccc3Cl)n2)cc1 ZINC000000932701 560558810 /nfs/dbraw/zinc/55/88/10/560558810.db2.gz DCPXIEBJGUSVGJ-QGZVFWFLSA-N 0 0 412.942 5.598 40 0 HKABRN Cc1ccc(-c2csc(N(C[C@@H]3CCCO3)C(=O)c3ccccc3Cl)n2)cc1 ZINC000000932702 560558855 /nfs/dbraw/zinc/55/88/55/560558855.db2.gz DCPXIEBJGUSVGJ-KRWDZBQOSA-N 0 0 412.942 5.598 40 0 HKABRN Cc1ccc(-c2csc(N(C[C@H]3CCCO3)C(=O)c3cccc(Cl)c3)n2)cc1 ZINC000000932703 560558863 /nfs/dbraw/zinc/55/88/63/560558863.db2.gz POVXRRJBOYKOLL-LJQANCHMSA-N 0 0 412.942 5.598 40 0 HKABRN Cc1ccc(-c2csc(N(C[C@@H]3CCCO3)C(=O)c3cccc(Cl)c3)n2)cc1 ZINC000000932704 560558831 /nfs/dbraw/zinc/55/88/31/560558831.db2.gz POVXRRJBOYKOLL-IBGZPJMESA-N 0 0 412.942 5.598 40 0 HKABRN Cc1ccc(-c2csc(N(Cc3ccco3)C(=O)COc3ccccc3)n2)cc1 ZINC000000932719 560558815 /nfs/dbraw/zinc/55/88/15/560558815.db2.gz KQLQKJAHXMQTPW-UHFFFAOYSA-N 0 0 404.491 5.324 40 0 HKABRN COc1ccc(C(=O)N(Cc2ccco2)c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000000932720 560558843 /nfs/dbraw/zinc/55/88/43/560558843.db2.gz JNNWVFXQTXNSGW-UHFFFAOYSA-N 0 0 404.491 5.567 40 0 HKABRN Cc1ccc(-c2csc(N(Cc3ccco3)C(=O)c3ccccc3Cl)n2)cc1 ZINC000000932723 560558825 /nfs/dbraw/zinc/55/88/25/560558825.db2.gz FQJMPYDPQXKJMA-UHFFFAOYSA-N 0 0 408.910 6.212 40 0 HKABRN Cc1ccc(-c2csc(N(Cc3ccco3)C(=O)c3cccc(Cl)c3)n2)cc1 ZINC000000932724 560558812 /nfs/dbraw/zinc/55/88/12/560558812.db2.gz YDKJLEROYISVHY-UHFFFAOYSA-N 0 0 408.910 6.212 40 0 HKABRN CCC(=O)N(CCc1ccc(OC)c(OC)c1)c1nc(-c2ccc(C)cc2)cs1 ZINC000000932730 560558874 /nfs/dbraw/zinc/55/88/74/560558874.db2.gz GZQZQKLPBIUSBC-UHFFFAOYSA-N 0 0 410.539 5.121 40 0 HKABRN CN(C(=O)c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000000932751 560558817 /nfs/dbraw/zinc/55/88/17/560558817.db2.gz OZQXQYSXIPNTFK-UHFFFAOYSA-N 0 0 407.720 5.503 40 0 HKABRN CCN(C(=O)c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000000932764 560558829 /nfs/dbraw/zinc/55/88/29/560558829.db2.gz GIFDGQGBQWIILU-UHFFFAOYSA-N 0 0 421.747 5.893 40 0 HKABRN O=C(c1ccco1)N(CCc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000000932773 560558857 /nfs/dbraw/zinc/55/88/57/560558857.db2.gz KLANSPVPNWAZJM-UHFFFAOYSA-N 0 0 408.910 5.946 40 0 HKABRN O=C(C1CCCCC1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000000932780 560558868 /nfs/dbraw/zinc/55/88/68/560558868.db2.gz CPHWGQDIFUMKEX-GOSISDBHSA-N 0 0 404.963 5.556 40 0 HKABRN O=C(C1CCCCC1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000000932781 560558872 /nfs/dbraw/zinc/55/88/72/560558872.db2.gz CPHWGQDIFUMKEX-SFHVURJKSA-N 0 0 404.963 5.556 40 0 HKABRN O=C(c1ccccc1F)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000000932786 560558865 /nfs/dbraw/zinc/55/88/65/560558865.db2.gz KBEUPUNKDLLRQN-MRXNPFEDSA-N 0 0 416.905 5.428 40 0 HKABRN O=C(c1ccccc1F)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000000932787 560558820 /nfs/dbraw/zinc/55/88/20/560558820.db2.gz KBEUPUNKDLLRQN-INIZCTEOSA-N 0 0 416.905 5.428 40 0 HKABRN O=C(c1cccc(F)c1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000000932788 560558870 /nfs/dbraw/zinc/55/88/70/560558870.db2.gz JGSCGHMNEFFVTL-GOSISDBHSA-N 0 0 416.905 5.428 40 0 HKABRN O=C(c1cccc(F)c1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000000932789 560558867 /nfs/dbraw/zinc/55/88/67/560558867.db2.gz JGSCGHMNEFFVTL-SFHVURJKSA-N 0 0 416.905 5.428 40 0 HKABRN O=C(c1cccs1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000000932794 560558859 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O=C(c1cccs1)N(Cc1ccco1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000000932807 560558934 /nfs/dbraw/zinc/55/89/34/560558934.db2.gz AURWHFADBKHFAT-UHFFFAOYSA-N 0 0 400.912 5.965 40 0 HKABRN CCN(C(=O)c1ccc(Br)cc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000000932828 560558941 /nfs/dbraw/zinc/55/89/41/560558941.db2.gz LJLVNQUAHYOXTE-UHFFFAOYSA-N 0 0 405.292 5.378 40 0 HKABRN O=C(COc1ccccc1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000000932831 560558947 /nfs/dbraw/zinc/55/89/47/560558947.db2.gz CPDKAQYVLFMCIK-UHFFFAOYSA-N 0 0 418.493 5.561 40 0 HKABRN COc1ccc(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000000932832 560558942 /nfs/dbraw/zinc/55/89/42/560558942.db2.gz BZFGSPCMEHCHDK-UHFFFAOYSA-N 0 0 418.493 5.805 40 0 HKABRN COc1ccc(C(=O)N(Cc2ccco2)c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000000932855 560558943 /nfs/dbraw/zinc/55/89/43/560558943.db2.gz WBZIKHMVUVCSPV-UHFFFAOYSA-N 0 0 408.454 5.398 40 0 HKABRN COc1ccc2nc(NC(=O)CSc3nc4c(C)cccc4cc3C)sc2c1 ZINC000000932899 560558980 /nfs/dbraw/zinc/55/89/80/560558980.db2.gz LDGUBNXDZHJASA-UHFFFAOYSA-N 0 0 409.536 5.201 40 0 HKABRN CCOc1ccc2nc(NC(=O)CSc3nc4c(C)cccc4cc3C)sc2c1 ZINC000000932900 560559034 /nfs/dbraw/zinc/55/90/34/560559034.db2.gz BYNVKPWTVMOEAT-UHFFFAOYSA-N 0 0 423.563 5.591 40 0 HKABRN Cc1cccc2cc(C)c(SCC(=O)N(C)c3nc(-c4ccccc4)cs3)nc12 ZINC000000932901 560559000 /nfs/dbraw/zinc/55/90/00/560559000.db2.gz RYNPZCQQGBGWHO-UHFFFAOYSA-N 0 0 419.575 5.730 40 0 aggregator HKABRN CCC(=O)Nc1ccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C)cc1C ZINC000000932944 560559127 /nfs/dbraw/zinc/55/91/27/560559127.db2.gz TVQOAJRCIDLLIG-UHFFFAOYSA-N 0 0 421.566 5.548 40 0 HKABRN CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)cc(C)c2cc1C ZINC000000932959 560559151 /nfs/dbraw/zinc/55/91/51/560559151.db2.gz QSQJKYFZRACIHM-UHFFFAOYSA-N 0 0 408.523 5.068 40 0 HKABRN CCOc1ccc2nc(SCC(=O)Nc3ccc(NC(=O)CC)cc3)c(C)cc2c1 ZINC000000933025 560559024 /nfs/dbraw/zinc/55/90/24/560559024.db2.gz MBUNELSQAQZFES-UHFFFAOYSA-N 0 0 423.538 5.021 40 0 HKABRN CCc1cccc(C)c1NC(=O)CSc1nc2cc(OC)c(OC)cc2cc1C ZINC000000933037 560559030 /nfs/dbraw/zinc/55/90/30/560559030.db2.gz NMBARZKDOOIQSW-UHFFFAOYSA-N 0 0 410.539 5.162 40 0 HKABRN Cc1sc2ncnc(SCC(=O)N(Cc3ccccc3)c3ccccc3)c2c1C ZINC000000933054 560558994 /nfs/dbraw/zinc/55/89/94/560558994.db2.gz OISKOHYOSWJOMH-UHFFFAOYSA-N 0 0 419.575 5.634 40 0 HKABRN COc1cccc(C(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c32)c1 ZINC000000933079 560558983 /nfs/dbraw/zinc/55/89/83/560558983.db2.gz CONMVQVXIFHQCD-UHFFFAOYSA-N 0 0 406.532 5.650 40 0 HKABRN Cc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000000933901 560559332 /nfs/dbraw/zinc/55/93/32/560559332.db2.gz XDXQIRZBXSJTHT-UHFFFAOYSA-N 0 0 417.534 5.137 40 0 HKABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)Nc3ccccc3)cc2c1 ZINC000000933923 560559313 /nfs/dbraw/zinc/55/93/13/560559313.db2.gz MKKXNXMOSHWZMG-UHFFFAOYSA-N 0 0 413.546 5.236 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)c(C(C)C)cc1Br ZINC000000935581 568751301 /nfs/dbraw/zinc/75/13/01/568751301.db2.gz HMENWGZANMGSCY-UHFFFAOYSA-N 0 0 404.348 6.022 40 0 HKABRN O=C(Oc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(Cl)cc1Cl ZINC000000938137 568752301 /nfs/dbraw/zinc/75/23/01/568752301.db2.gz CBNUEKGBAQZMQP-UHFFFAOYSA-N 0 0 412.228 5.013 40 0 HKABRN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000000941509 568753244 /nfs/dbraw/zinc/75/32/44/568753244.db2.gz ASACUTCAHJERQA-VMPITWQZSA-N 0 0 424.722 5.470 40 0 HKABRN Cc1cccc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1C ZINC000000943770 568929556 /nfs/dbraw/zinc/92/95/56/568929556.db2.gz OWSIUKMXPAPIQF-UHFFFAOYSA-N 0 0 417.328 5.207 40 0 HKABRN CC(C)(C)c1ccc(Oc2coc3cc(OC(=O)c4ccco4)ccc3c2=O)cc1 ZINC000000945145 557122815 /nfs/dbraw/zinc/12/28/15/557122815.db2.gz PQOIZKRMIKEMJD-UHFFFAOYSA-N 0 0 404.418 5.695 40 0 HKABRN CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cc1OC ZINC000000947332 568929527 /nfs/dbraw/zinc/92/95/27/568929527.db2.gz AKMJOPUUKVMHCS-UKTHLTGXSA-N 0 0 408.523 5.486 40 0 HKABRN CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(Br)cc3)n2)s1 ZINC000000948690 557123758 /nfs/dbraw/zinc/12/37/58/557123758.db2.gz HLECIUZYIGXHCT-UHFFFAOYSA-N 0 0 409.334 5.040 40 0 HKABRN Cc1cc(C)c(NC(=O)COc2cc(C)c(Br)cc2C(C)C)c(C)c1 ZINC000000955932 568929549 /nfs/dbraw/zinc/92/95/49/568929549.db2.gz KHOMJAJTAQBAPO-UHFFFAOYSA-N 0 0 404.348 5.824 40 0 HKABRN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000000956419 568757729 /nfs/dbraw/zinc/75/77/29/568757729.db2.gz CYNDXARSPJQZGP-VQHVLOKHSA-N 0 0 417.317 5.473 40 0 HKABRN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cccc(OC)c1 ZINC000000958065 569014612 /nfs/dbraw/zinc/01/46/12/569014612.db2.gz KBZZZBRBTNTLJZ-UHFFFAOYSA-N 0 0 415.898 5.506 40 0 HKABRN Cc1ccc(-c2csc(NC(=O)COc3ccc(Br)cc3)n2)cc1C ZINC000000959147 568758308 /nfs/dbraw/zinc/75/83/08/568758308.db2.gz PDUDCHLYCCYVSU-UHFFFAOYSA-N 0 0 417.328 5.207 40 0 HKABRN COc1ccc(-c2csc(NC(=O)COc3ccc(C)cc3C(C)(C)C)n2)cc1 ZINC000000959157 568758220 /nfs/dbraw/zinc/75/82/20/568758220.db2.gz WMIYUIHBTISGDO-UHFFFAOYSA-N 0 0 410.539 5.442 40 0 HKABRN O=C(COc1ccccc1Br)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000000959340 568758250 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ZINC000001223384 560572293 /nfs/dbraw/zinc/57/22/93/560572293.db2.gz MVITXIBWVIOIPM-UHFFFAOYSA-N 0 0 414.530 5.974 40 0 HKABRN Cc1ccc(-c2csc(N(Cc3ccccc3)C(=O)c3cccc(F)c3)n2)cc1 ZINC000001223385 560572279 /nfs/dbraw/zinc/57/22/79/560572279.db2.gz CNCJVDJCQFADFC-UHFFFAOYSA-N 0 0 402.494 6.105 40 0 HKABRN CCOc1cc(NC(=O)C2CCCCC2)c(OCC)cc1NC(=O)c1ccc(C)cc1 ZINC000001223657 560572262 /nfs/dbraw/zinc/57/22/62/560572262.db2.gz QGUVZDCVKVQYGP-UHFFFAOYSA-N 0 0 424.541 5.564 40 0 HKABRN CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1cccs1 ZINC000001223666 560572277 /nfs/dbraw/zinc/57/22/77/560572277.db2.gz DJNHQGNPIDAFKD-UHFFFAOYSA-N 0 0 416.524 5.112 40 0 HKABRN Cc1ccc2cc(CN(Cc3ccccc3)C(=O)c3ccccc3F)c(=O)[nH]c2c1C ZINC000001223820 560572380 /nfs/dbraw/zinc/57/23/80/560572380.db2.gz JSXUAVYHEWQZKC-UHFFFAOYSA-N 0 0 414.480 5.127 40 0 HKABRN Cc1ccc2cc(CN(Cc3ccccc3)C(=S)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000001223829 560572364 /nfs/dbraw/zinc/57/23/64/560572364.db2.gz QCQHLHAGHRFSSZ-UHFFFAOYSA-N 0 0 419.594 5.046 40 0 HKABRN Cc1cccc2cc3c(N)c(C(=O)Nc4cccc(C(F)(F)F)c4)sc3nc12 ZINC000001223904 560572330 /nfs/dbraw/zinc/57/23/30/560572330.db2.gz CCOFCAHHMOFLJU-UHFFFAOYSA-N 0 0 401.413 5.611 40 0 HKABRN Cc1ccc(C(=O)CSc2cc(C)nc(SCC(=O)c3ccccc3)n2)cc1 ZINC000001223986 560572370 /nfs/dbraw/zinc/57/23/70/560572370.db2.gz HXKOFSQRFWLEIQ-UHFFFAOYSA-N 0 0 408.548 5.043 40 0 HKABRN Cc1ccc(NC(=S)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCC2)cc1 ZINC000001224149 560572348 /nfs/dbraw/zinc/57/23/48/560572348.db2.gz QUZTVKGTDUOMAB-UHFFFAOYSA-N 0 0 405.567 5.287 40 0 HKABRN Cc1ccc2[nH]c(=O)c(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCC3)cc2c1 ZINC000001224156 560572390 /nfs/dbraw/zinc/57/23/90/560572390.db2.gz VVMPSSFPAJWZFC-SFHVURJKSA-N 0 0 419.594 5.217 40 0 HKABRN Cc1ccc2[nH]c(=O)c(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCC3)cc2c1 ZINC000001224157 560572396 /nfs/dbraw/zinc/57/23/96/560572396.db2.gz VVMPSSFPAJWZFC-GOSISDBHSA-N 0 0 419.594 5.217 40 0 HKABRN Cc1ccc2cc(CN(C(=S)Nc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000001224185 560572415 /nfs/dbraw/zinc/57/24/15/560572415.db2.gz VDCVWYHGGBUARR-UHFFFAOYSA-N 0 0 405.567 5.368 40 0 HKABRN Cc1ccc2cc(CN(C(=S)NCc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000001224191 560572422 /nfs/dbraw/zinc/57/24/22/560572422.db2.gz QRQVTNOTOJSQNQ-UHFFFAOYSA-N 0 0 419.594 5.046 40 0 HKABRN Cc1ccc(NC(=S)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCC2)cc1 ZINC000001224232 560572409 /nfs/dbraw/zinc/57/24/09/560572409.db2.gz UILKMCCWJMCZEK-UHFFFAOYSA-N 0 0 405.567 5.287 40 0 HKABRN Cc1ccc2cc(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCC3)c(=O)[nH]c2c1 ZINC000001224239 560572424 /nfs/dbraw/zinc/57/24/24/560572424.db2.gz ATUAIRVNZHXARD-SFHVURJKSA-N 0 0 419.594 5.217 40 0 HKABRN Cc1ccc2cc(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCC3)c(=O)[nH]c2c1 ZINC000001224240 560572405 /nfs/dbraw/zinc/57/24/05/560572405.db2.gz ATUAIRVNZHXARD-GOSISDBHSA-N 0 0 419.594 5.217 40 0 HKABRN Cc1cccc2cc(CN(Cc3ccccc3)C(=S)Nc3ccccc3)c(=O)[nH]c12 ZINC000001224246 560572428 /nfs/dbraw/zinc/57/24/28/560572428.db2.gz ANDHZLUHUFDUAB-UHFFFAOYSA-N 0 0 413.546 5.236 40 0 HKABRN Cc1cccc2cc(CN(Cc3ccccc3)C(=S)NC3CCCCC3)c(=O)[nH]c12 ZINC000001224258 560572567 /nfs/dbraw/zinc/57/25/67/560572567.db2.gz NHUSBPYPDODYOP-UHFFFAOYSA-N 0 0 419.594 5.046 40 0 HKABRN Cc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000001224260 560572512 /nfs/dbraw/zinc/57/25/12/560572512.db2.gz JIGKBBCEFDSDLA-UHFFFAOYSA-N 0 0 417.534 5.137 40 0 HKABRN Cc1cccc2cc(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCC3)c(=O)[nH]c12 ZINC000001224333 560572534 /nfs/dbraw/zinc/57/25/34/560572534.db2.gz YBSSPXHWYYVTMY-SFHVURJKSA-N 0 0 419.594 5.217 40 0 HKABRN COc1ccc(OC)c(C(=O)CSc2ncnc3scc(-c4ccccc4)c32)c1 ZINC000001224456 560572602 /nfs/dbraw/zinc/57/26/02/560572602.db2.gz XSKJEKMPJRCZQF-UHFFFAOYSA-N 0 0 422.531 5.351 40 0 HKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)NC3CCCCC3)cc2c1 ZINC000001224606 560572647 /nfs/dbraw/zinc/57/26/47/560572647.db2.gz CONKHWFGMPEZML-UHFFFAOYSA-N 0 0 417.553 5.135 40 0 HKABRN Cc1ccc2cc(CN(Cc3ccc(F)cc3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000001224612 560572596 /nfs/dbraw/zinc/57/25/96/560572596.db2.gz BMZQCVGYZHRCNS-UHFFFAOYSA-N 0 0 421.516 5.020 40 0 HKABRN C[C@@H](Sc1nnc2c(n1)[C@]1(C)CC[C@H]2C1(C)C)C(=O)Nc1cccc2ccccc21 ZINC000001224906 557248409 /nfs/dbraw/zinc/24/84/09/557248409.db2.gz SSWREBXQUUEKHH-VNAOBRGMSA-N 0 0 418.566 5.319 40 0 HKABRN COc1ccc(C(=O)N2CC[C@]3(Cl)CCCC[C@H]3[C@@H]2c2ccccc2)cc1OC ZINC000001236018 569040104 /nfs/dbraw/zinc/04/01/04/569040104.db2.gz JKAIHNBLNWWOSE-NGYIFUPDSA-N 0 0 413.945 5.459 40 0 HKABRN Cc1cc(C)c2nc(Cl)c(CN(C(=O)c3cnccn3)C3CCCCC3)cc2c1 ZINC000001238262 560572841 /nfs/dbraw/zinc/57/28/41/560572841.db2.gz OMXPPLBSWJWWMQ-UHFFFAOYSA-N 0 0 408.933 5.270 40 0 HKABRN Cc1ccc(CN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)C(F)(F)F)cc1 ZINC000001238272 560572813 /nfs/dbraw/zinc/57/28/13/560572813.db2.gz NRESODAJPKCCCD-UHFFFAOYSA-N 0 0 420.862 5.905 40 0 HKABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001253184 560728010 /nfs/dbraw/zinc/72/80/10/560728010.db2.gz NGAQDIKESFQBGS-UHFFFAOYSA-N 0 0 415.902 5.093 40 0 HKABRN O=C(CSc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000001255807 557252118 /nfs/dbraw/zinc/25/21/18/557252118.db2.gz BEELNGUEIRTIFK-UHFFFAOYSA-N 0 0 402.928 5.385 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccco4)c3)nc2c1 ZINC000001255930 557252167 /nfs/dbraw/zinc/25/21/67/557252167.db2.gz SEFLPKHSJQZZKB-KUCQQTCKSA-N 0 0 420.896 6.907 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccco4)c3)nc2c1 ZINC000001255932 557252226 /nfs/dbraw/zinc/25/22/26/557252226.db2.gz SEFLPKHSJQZZKB-SHQCLWGWSA-N 0 0 420.896 6.907 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2C)c(C)c1 ZINC000001256114 557252220 /nfs/dbraw/zinc/25/22/20/557252220.db2.gz FFARQBJXQCJPMX-UHFFFAOYSA-N 0 0 415.518 5.547 40 0 HKABRN Cc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)c(C)c1 ZINC000001256313 557252155 /nfs/dbraw/zinc/25/21/55/557252155.db2.gz JGPMFAYESWFBBN-UHFFFAOYSA-N 0 0 406.489 5.751 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)cc4C)ccc3o2)cc1 ZINC000001256347 557252122 /nfs/dbraw/zinc/25/21/22/557252122.db2.gz DFMMUZPKFLEQIZ-UHFFFAOYSA-N 0 0 415.518 5.547 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(Br)c1 ZINC000001262751 557252507 /nfs/dbraw/zinc/25/25/07/557252507.db2.gz RQTQXVAQYMQXDT-AATRIKPKSA-N 0 0 401.087 5.416 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccs4)c3)nc2c1 ZINC000001262840 557252488 /nfs/dbraw/zinc/25/24/88/557252488.db2.gz GXBSBIRSJIJOCK-CYBMUJFWSA-N 0 0 410.926 6.976 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccs4)c3)nc2c1 ZINC000001262841 557252525 /nfs/dbraw/zinc/25/25/25/557252525.db2.gz GXBSBIRSJIJOCK-ZDUSSCGKSA-N 0 0 410.926 6.976 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Br)c(C)n1 ZINC000001263132 557252496 /nfs/dbraw/zinc/25/24/96/557252496.db2.gz LFXLGPLLYGOLCW-ZZXKWVIFSA-N 0 0 416.102 5.120 40 0 HKABRN CCc1cc(I)ccc1NC(=O)c1ccc2ccccc2c1 ZINC000001263906 557252548 /nfs/dbraw/zinc/25/25/48/557252548.db2.gz CYHQCJXGMPACFX-UHFFFAOYSA-N 0 0 401.247 5.259 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4)nc3c2)c(C)c1 ZINC000001264145 557252447 /nfs/dbraw/zinc/25/24/47/557252447.db2.gz AQLRCYOQCKYKJH-UHFFFAOYSA-N 0 0 401.491 5.238 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Br)cc1 ZINC000001264158 557252460 /nfs/dbraw/zinc/25/24/60/557252460.db2.gz UAUBIBVHDPOMNZ-FARCUNLSSA-N 0 0 401.087 5.416 40 0 HKABRN Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)cc4C)c3)nc2c1 ZINC000001264191 557252482 /nfs/dbraw/zinc/25/24/82/557252482.db2.gz KKXPTTKMDYIMJU-UHFFFAOYSA-N 0 0 415.518 5.547 40 0 HKABRN Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)cc4C)ccc3o2)c1 ZINC000001264599 557252555 /nfs/dbraw/zinc/25/25/55/557252555.db2.gz HDYIACISUOAHCW-UHFFFAOYSA-N 0 0 415.518 5.547 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000001264671 557252439 /nfs/dbraw/zinc/25/24/39/557252439.db2.gz XHOMOQPPTFJEEK-QPJJXVBHSA-N 0 0 413.304 5.640 40 0 HKABRN CCC(=O)NC(=S)Nc1cc(-c2nc3cc([C@H](C)CC)ccc3o2)ccc1Cl ZINC000001265954 557252904 /nfs/dbraw/zinc/25/29/04/557252904.db2.gz XPMSCULGGBCYSR-GFCCVEGCSA-N 0 0 415.946 5.885 40 0 HKABRN CCC(=O)NC(=S)Nc1cc(-c2nc3cc([C@@H](C)CC)ccc3o2)ccc1Cl ZINC000001265955 557252910 /nfs/dbraw/zinc/25/29/10/557252910.db2.gz XPMSCULGGBCYSR-LBPRGKRZSA-N 0 0 415.946 5.885 40 0 HKABRN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c(C)c1 ZINC000001266034 557252915 /nfs/dbraw/zinc/25/29/15/557252915.db2.gz ZCLICVSMFPYJSU-UHFFFAOYSA-N 0 0 413.304 6.115 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)cc2)c(C)c1 ZINC000001267283 557252946 /nfs/dbraw/zinc/25/29/46/557252946.db2.gz YTJBDXWXBQSFNV-UHFFFAOYSA-N 0 0 401.491 5.238 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)c(C)c1 ZINC000001267348 557252851 /nfs/dbraw/zinc/25/28/51/557252851.db2.gz CDNJXVVMMXOREM-UHFFFAOYSA-N 0 0 401.491 5.238 40 0 HKABRN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)cc4C)cc3)nc2c1 ZINC000001268022 557252932 /nfs/dbraw/zinc/25/29/32/557252932.db2.gz OLZUPBBDIFEILG-UHFFFAOYSA-N 0 0 415.518 5.547 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccccc1Br ZINC000001268045 557252935 /nfs/dbraw/zinc/25/29/35/557252935.db2.gz ZAHQYLBCULEHQU-VOTSOKGWSA-N 0 0 401.087 5.416 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Br)cc1C ZINC000001268541 557252901 /nfs/dbraw/zinc/25/29/01/557252901.db2.gz SOUNVOIEOFNZDX-ZZXKWVIFSA-N 0 0 415.114 5.725 40 0 HKABRN COc1ccc(N[C@@H](c2c(C)[nH]c3ccccc32)c2ccccc2OC)c(OC)c1 ZINC000001298092 569048764 /nfs/dbraw/zinc/04/87/64/569048764.db2.gz XZRZGGJFQXVSCQ-RUZDIDTESA-N 0 0 402.494 5.704 40 0 HKABRN COc1ccc(N[C@H](c2c(C)[nH]c3ccccc32)c2ccccc2OC)c(OC)c1 ZINC000001298094 569048763 /nfs/dbraw/zinc/04/87/63/569048763.db2.gz XZRZGGJFQXVSCQ-VWLOTQADSA-N 0 0 402.494 5.704 40 0 HKABRN Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1Br ZINC000001311581 568930600 /nfs/dbraw/zinc/93/06/00/568930600.db2.gz ATIGSUYACBMSKB-UHFFFAOYSA-N 0 0 402.071 5.104 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4C)nc3c2)c(C)c1 ZINC000001311641 557254878 /nfs/dbraw/zinc/25/48/78/557254878.db2.gz MVDNJXGPGGDZKO-UHFFFAOYSA-N 0 0 415.518 5.547 40 0 HKABRN COc1cc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c(OC)cc1Cl ZINC000001311745 557254973 /nfs/dbraw/zinc/25/49/73/557254973.db2.gz OGCAXLBDKFLKOP-SNAWJCMRSA-N 0 0 416.688 5.325 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4F)nc3c2)c(C)c1 ZINC000001312159 557254898 /nfs/dbraw/zinc/25/48/98/557254898.db2.gz HPDPJLHZKZSFFW-UHFFFAOYSA-N 0 0 419.481 5.378 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2C)c(C)c1 ZINC000001312359 557254872 /nfs/dbraw/zinc/25/48/72/557254872.db2.gz YMULJPCWCKHODL-UHFFFAOYSA-N 0 0 415.518 5.547 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)c1 ZINC000001324258 560573006 /nfs/dbraw/zinc/57/30/06/560573006.db2.gz LXXNFYYNWXFRMZ-UHFFFAOYSA-N 0 0 422.481 5.319 40 0 HKABRN CCOC(=O)c1ccccc1NC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000001324259 560573059 /nfs/dbraw/zinc/57/30/59/560573059.db2.gz QSAWWUKWTNGOBC-UHFFFAOYSA-N 0 0 422.481 5.319 40 0 HKABRN O=C(Nc1cccc2ccccc21)c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000001324266 560572995 /nfs/dbraw/zinc/57/29/95/560572995.db2.gz OQZDKWXWVQBJDF-UHFFFAOYSA-N 0 0 400.478 6.296 40 0 HKABRN O=C(Nc1ccccc1C(F)(F)F)c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000001324271 560573020 /nfs/dbraw/zinc/57/30/20/560573020.db2.gz ONYZIWXAYWCSSX-UHFFFAOYSA-N 0 0 418.415 6.161 40 0 HKABRN O=C(Nc1ccc(F)c(Cl)c1)c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000001324329 560573055 /nfs/dbraw/zinc/57/30/55/560573055.db2.gz LUZSWGXSKBOLAC-UHFFFAOYSA-N 0 0 402.853 5.935 40 0 HKABRN CC(C)(C)c1ccc(NC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)cc1 ZINC000001324353 560573003 /nfs/dbraw/zinc/57/30/03/560573003.db2.gz QCFOMAZOMFYHFO-UHFFFAOYSA-N 0 0 406.526 6.440 40 0 HKABRN COc1ccc(NC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)cc1OC ZINC000001324355 560573008 /nfs/dbraw/zinc/57/30/08/560573008.db2.gz AEKGQMQAJSKLIX-UHFFFAOYSA-N 0 0 410.470 5.160 40 0 HKABRN O=C(NCCc1c[nH]c2ccccc12)c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000001324360 560573040 /nfs/dbraw/zinc/57/30/40/560573040.db2.gz PNIHULOBONQOEE-UHFFFAOYSA-N 0 0 417.509 5.344 40 0 HKABRN COc1cc(NC(=O)C2CCCCC2)c(OC)cc1NC(=O)c1ccc(Cl)cc1 ZINC000001324370 560573051 /nfs/dbraw/zinc/57/30/51/560573051.db2.gz JMLKKONXPPWOBL-UHFFFAOYSA-N 0 0 416.905 5.128 40 0 HKABRN CCCC(=O)Nc1cc(OCC)c(NC(=S)Nc2cccc(C)c2)cc1OCC ZINC000001324467 560573069 /nfs/dbraw/zinc/57/30/69/560573069.db2.gz SSGCJRGTZWDPFJ-UHFFFAOYSA-N 0 0 415.559 5.340 40 0 HKABRN Cc1nc2sc3c(c2c(SCC(=O)c2c[nH]c4ccccc42)n1)CC[C@@H](C)C3 ZINC000001326105 560573305 /nfs/dbraw/zinc/57/33/05/560573305.db2.gz DKOSPYUJVSXONO-GFCCVEGCSA-N 0 0 407.564 5.581 40 0 HKABRN Cc1ccc2nc(-c3ccccc3)nc(S[C@@H](C)C(=O)NCc3cccs3)c2c1 ZINC000001326120 560573310 /nfs/dbraw/zinc/57/33/10/560573310.db2.gz SXTKFDNRBXTOGR-INIZCTEOSA-N 0 0 419.575 5.464 40 0 HKABRN Cc1ccc2nc(-c3ccccc3)nc(S[C@H](C)C(=O)NCc3cccs3)c2c1 ZINC000001326122 560573323 /nfs/dbraw/zinc/57/33/23/560573323.db2.gz SXTKFDNRBXTOGR-MRXNPFEDSA-N 0 0 419.575 5.464 40 0 HKABRN Cc1ccc2nc(-c3ccccc3)nc(S[C@@H](C)C(=O)N3CCCCCC3)c2c1 ZINC000001326125 560573275 /nfs/dbraw/zinc/57/32/75/560573275.db2.gz BFVNYUIUMIGFNP-SFHVURJKSA-N 0 0 405.567 5.488 40 0 HKABRN Cc1ccc2nc(-c3ccccc3)nc(S[C@H](C)C(=O)N3CCCCCC3)c2c1 ZINC000001326127 560573316 /nfs/dbraw/zinc/57/33/16/560573316.db2.gz BFVNYUIUMIGFNP-GOSISDBHSA-N 0 0 405.567 5.488 40 0 HKABRN Cc1nc2sc3c(c2c(SCC(=O)Nc2c(C)cccc2C)n1)CC[C@H](C)C3 ZINC000001326133 560573273 /nfs/dbraw/zinc/57/32/73/560573273.db2.gz SPANVIQJYNZYPA-LBPRGKRZSA-N 0 0 411.596 5.472 40 0 HKABRN Cc1ccc(C)c2c(S[C@@H](C)C(=O)NCc3ccco3)nc(-c3ccccc3)nc12 ZINC000001326134 560573271 /nfs/dbraw/zinc/57/32/71/560573271.db2.gz QUPGYYVWDDAGDV-KRWDZBQOSA-N 0 0 417.534 5.304 40 0 HKABRN Cc1nc2sc3c(c2c(SCC(=O)Nc2c(C)cccc2C)n1)CC[C@@H](C)C3 ZINC000001326135 560573289 /nfs/dbraw/zinc/57/32/89/560573289.db2.gz SPANVIQJYNZYPA-GFCCVEGCSA-N 0 0 411.596 5.472 40 0 HKABRN Cc1ccc(C)c2c(S[C@H](C)C(=O)NCc3ccco3)nc(-c3ccccc3)nc12 ZINC000001326136 560573309 /nfs/dbraw/zinc/57/33/09/560573309.db2.gz QUPGYYVWDDAGDV-QGZVFWFLSA-N 0 0 417.534 5.304 40 0 HKABRN Cc1nc2sc3c(c2c(SCC(=O)Nc2cccc(C)c2C)n1)CC[C@H](C)C3 ZINC000001326137 560573303 /nfs/dbraw/zinc/57/33/03/560573303.db2.gz XBNNANVTVCDMFL-LBPRGKRZSA-N 0 0 411.596 5.472 40 0 HKABRN Cc1nc2sc3c(c2c(SCC(=O)Nc2cccc(C)c2C)n1)CC[C@@H](C)C3 ZINC000001326139 560573425 /nfs/dbraw/zinc/57/34/25/560573425.db2.gz XBNNANVTVCDMFL-GFCCVEGCSA-N 0 0 411.596 5.472 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000001326539 560573432 /nfs/dbraw/zinc/57/34/32/560573432.db2.gz BBRDRHVIDQQZNA-UHFFFAOYSA-N 0 0 422.838 5.647 40 0 HKABRN CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3Cl)C3CCCC3)cc2c1 ZINC000001327099 560573442 /nfs/dbraw/zinc/57/34/42/560573442.db2.gz UCSXGKWEJCXISW-UHFFFAOYSA-N 0 0 423.944 5.721 40 0 HKABRN CCOc1ccc(NC(=S)N2CCC(c3nc4cc(C)c(C)cc4[nH]3)CC2)cc1 ZINC000001327100 560573408 /nfs/dbraw/zinc/57/34/08/560573408.db2.gz WBCDNGFUQIENLY-UHFFFAOYSA-N 0 0 408.571 5.155 40 0 HKABRN CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3cccc(Cl)c3)C3CCCC3)cc2c1 ZINC000001327101 560573406 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HKABRN CCc1ccc2[nH]c(=O)c(CN(C(=O)NCc3ccccc3)C3CCCCC3)cc2c1 ZINC000001327113 560573413 /nfs/dbraw/zinc/57/34/13/560573413.db2.gz OLRLZOZAIANLFQ-UHFFFAOYSA-N 0 0 417.553 5.135 40 0 HKABRN CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3F)C3CCCCC3)cc2c1 ZINC000001327115 560573401 /nfs/dbraw/zinc/57/34/01/560573401.db2.gz SQUKLJRCGRIMAD-UHFFFAOYSA-N 0 0 421.516 5.596 40 0 HKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000001327136 560573516 /nfs/dbraw/zinc/57/35/16/560573516.db2.gz DNNOCCYOCDNWHJ-UHFFFAOYSA-N 0 0 419.456 5.057 40 0 HKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)Nc3ccccc3)cc2c1 ZINC000001327141 560573462 /nfs/dbraw/zinc/57/34/62/560573462.db2.gz JHNRSGHIGDRWLS-UHFFFAOYSA-N 0 0 417.534 5.386 40 0 HKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)NC3CCCCC3)cc2c1 ZINC000001327142 560573526 /nfs/dbraw/zinc/57/35/26/560573526.db2.gz RGOSYFOTKFUBCJ-UHFFFAOYSA-N 0 0 423.582 5.197 40 0 HKABRN CC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000001327149 560573494 /nfs/dbraw/zinc/57/34/94/560573494.db2.gz AZROIIFLRQWXQV-UHFFFAOYSA-N 0 0 414.596 5.162 40 0 HKABRN O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000001327255 560573491 /nfs/dbraw/zinc/57/34/91/560573491.db2.gz RPYNHANDIZJQBB-UHFFFAOYSA-N 0 0 408.548 5.018 40 0 HKABRN COc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(F)cc3)C3CCCCC3)cc2c1 ZINC000001327304 560573489 /nfs/dbraw/zinc/57/34/89/560573489.db2.gz AAOJLLQMQUKBGE-UHFFFAOYSA-N 0 0 423.488 5.043 40 0 HKABRN Cc1cc2nc(C3CCN(C(=O)Nc4ccccc4-c4ccccc4)CC3)[nH]c2cc1C ZINC000001327386 560573471 /nfs/dbraw/zinc/57/34/71/560573471.db2.gz WTFQWZUCBVZJOB-UHFFFAOYSA-N 0 0 424.548 6.258 40 0 HKABRN CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(F)cc3)C3CCCC3)cc2c1 ZINC000001327636 560573634 /nfs/dbraw/zinc/57/36/34/560573634.db2.gz BSOULWUPTNYSKR-UHFFFAOYSA-N 0 0 423.488 5.043 40 0 HKABRN CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3F)C3CCCC3)cc2c1 ZINC000001327638 560573659 /nfs/dbraw/zinc/57/36/59/560573659.db2.gz SRIRPBISNAKODX-UHFFFAOYSA-N 0 0 423.488 5.043 40 0 HKABRN CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3)C3CCCCC3)cc2c1 ZINC000001327639 560573630 /nfs/dbraw/zinc/57/36/30/560573630.db2.gz BRAWGZCVURPNMM-UHFFFAOYSA-N 0 0 419.525 5.294 40 0 HKABRN Cc1ccc(C(=O)CSc2nnc3c4ccccc4nc(Cc4ccccc4)n23)cc1 ZINC000001327715 560573603 /nfs/dbraw/zinc/57/36/03/560573603.db2.gz GYARWXIGIWEFFU-UHFFFAOYSA-N 0 0 424.529 5.152 40 0 aggregator HKABRN CC(C)(C)c1ccc(S(=O)(=O)N(c2ccccc2Cl)C2=NCCCS2)cc1 ZINC000001327893 560573627 /nfs/dbraw/zinc/57/36/27/560573627.db2.gz BVLVRDJFVPHLEJ-UHFFFAOYSA-N 0 0 423.003 5.326 40 0 HKABRN CCc1ccccc1N(C1=NCCCS1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000001327901 560573645 /nfs/dbraw/zinc/57/36/45/560573645.db2.gz AWBLBCXNGDUMSX-UHFFFAOYSA-N 0 0 416.612 5.235 40 0 HKABRN O=C(c1cccc(F)c1)N(c1cc(C(F)(F)F)ccc1Cl)C1=NCCCS1 ZINC000001327932 560573688 /nfs/dbraw/zinc/57/36/88/560573688.db2.gz DCDUXARTNOGTKG-UHFFFAOYSA-N 0 0 416.827 5.638 40 0 HKABRN O=S(=O)(c1ccccc1Cl)N(c1cccc2ccccc21)C1=NCCCS1 ZINC000001327943 560573712 /nfs/dbraw/zinc/57/37/12/560573712.db2.gz JLBQUERAJHUGLG-UHFFFAOYSA-N 0 0 416.955 5.181 40 0 HKABRN Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3cccs3)c(Cl)nc2c1C ZINC000001329072 560573826 /nfs/dbraw/zinc/57/38/26/560573826.db2.gz GBLRMYAYZBGCNP-GOSISDBHSA-N 0 0 414.958 5.388 40 0 HKABRN Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3cccs3)c(Cl)nc2c1C ZINC000001329076 560573834 /nfs/dbraw/zinc/57/38/34/560573834.db2.gz GBLRMYAYZBGCNP-SFHVURJKSA-N 0 0 414.958 5.388 40 0 HKABRN CC(C)(C)c1csc(NC(=O)CSc2ncccc2-c2nc3ccccc3[nH]2)n1 ZINC000001329484 560573819 /nfs/dbraw/zinc/57/38/19/560573819.db2.gz RMVPQJWNEXMMLP-UHFFFAOYSA-N 0 0 423.567 5.110 40 0 HKABRN O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)Nc1ccc(F)c(Cl)c1 ZINC000001329521 560573802 /nfs/dbraw/zinc/57/38/02/560573802.db2.gz AMWDKWNUIPGSJY-UHFFFAOYSA-N 0 0 412.877 5.148 40 0 HKABRN COc1cccc(C(=O)CSc2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cn2)c1 ZINC000001329696 560573919 /nfs/dbraw/zinc/57/39/19/560573919.db2.gz YMCNLDMLWYSFHH-UHFFFAOYSA-N 0 0 403.507 5.225 40 0 HKABRN Cc1cc2nc(-c3ccc(SCC(=O)Nc4cccc(F)c4)nc3)[nH]c2cc1C ZINC000001329703 560573904 /nfs/dbraw/zinc/57/39/04/560573904.db2.gz IZFQJRVSGOCBCD-UHFFFAOYSA-N 0 0 406.486 5.112 40 0 HKABRN Cc1nc(NC(=O)CSc2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cn2)sc1C ZINC000001329743 560573925 /nfs/dbraw/zinc/57/39/25/560573925.db2.gz QLUUZKSUDXTWSU-UHFFFAOYSA-N 0 0 423.567 5.046 40 0 HKABRN CC[C@H]1CCCCN1C(=O)CSc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cn1 ZINC000001329762 560573900 /nfs/dbraw/zinc/57/39/00/560573900.db2.gz YMMFYDFGZBTEJF-SFHVURJKSA-N 0 0 408.571 5.125 40 0 HKABRN CC[C@@H]1CCCCN1C(=O)CSc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cn1 ZINC000001329764 560573924 /nfs/dbraw/zinc/57/39/24/560573924.db2.gz YMMFYDFGZBTEJF-GOSISDBHSA-N 0 0 408.571 5.125 40 0 HKABRN O=C(Nc1ccccc1)NC1(C(=O)Nc2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000001329980 560573901 /nfs/dbraw/zinc/57/39/01/560573901.db2.gz SFHYKPCSVLJFIP-UHFFFAOYSA-N 0 0 405.420 5.169 40 0 HKABRN O=C(c1cc2ccccc2oc1=O)N(Cc1ccco1)Cc1c(F)cccc1Cl ZINC000001330017 560573908 /nfs/dbraw/zinc/57/39/08/560573908.db2.gz QHFJZENIAIZHFP-UHFFFAOYSA-N 0 0 411.816 5.021 40 0 HKABRN O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1)Cc1ccccc1Cl ZINC000001330069 560573902 /nfs/dbraw/zinc/57/39/02/560573902.db2.gz AVXZZQNAMPBMRJ-UHFFFAOYSA-N 0 0 403.865 5.289 40 0 HKABRN CC(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc3ccccc3oc2=O)cc1 ZINC000001330078 560573903 /nfs/dbraw/zinc/57/39/03/560573903.db2.gz WZVQKGZJSPFUHA-UHFFFAOYSA-N 0 0 401.462 5.352 40 0 HKABRN CC(C)(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc3ccccc3oc2=O)cc1 ZINC000001330088 560573995 /nfs/dbraw/zinc/57/39/95/560573995.db2.gz KHZOSHFYEFJSER-UHFFFAOYSA-N 0 0 415.489 5.526 40 0 HKABRN O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)Cc1ccccc1Cl ZINC000001330131 560573964 /nfs/dbraw/zinc/57/39/64/560573964.db2.gz BPJYJZROLVIBLV-UHFFFAOYSA-N 0 0 421.855 5.428 40 0 HKABRN O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)Cc1ccc(Cl)cc1 ZINC000001330133 560573956 /nfs/dbraw/zinc/57/39/56/560573956.db2.gz SXJKJTKEJDNXFG-UHFFFAOYSA-N 0 0 421.855 5.428 40 0 HKABRN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)c2cc3ccccc3oc2=O)cc1 ZINC000001330153 560573966 /nfs/dbraw/zinc/57/39/66/560573966.db2.gz CKCDZGXDKSHJGI-UHFFFAOYSA-N 0 0 401.437 5.083 40 0 HKABRN Cc1ccc2cc(-c3nc4ccc(Cl)cn4c3NC3CCCC3)c(=O)[nH]c2c1C ZINC000001330171 560574002 /nfs/dbraw/zinc/57/40/02/560574002.db2.gz MJBLADNAMGVBBU-UHFFFAOYSA-N 0 0 406.917 5.468 40 0 HKABRN Cc1ccc2cc(-c3nc4ccc(Cl)cn4c3NCc3ccco3)c(=O)[nH]c2c1C ZINC000001330178 560573983 /nfs/dbraw/zinc/57/39/83/560573983.db2.gz PFHSIPRDVGGXGB-UHFFFAOYSA-N 0 0 418.884 5.318 40 0 HKABRN COc1ccc(CNc2c(-c3cc4cc(C)ccc4[nH]c3=O)nc3c(C)cccn23)cc1 ZINC000001330212 560574134 /nfs/dbraw/zinc/57/41/34/560574134.db2.gz AWYSZNUWBNJCRP-UHFFFAOYSA-N 0 0 424.504 5.080 40 0 HKABRN COc1ccc(CNc2c(-c3cc4cc(C)ccc4[nH]c3=O)nc3cc(C)ccn32)cc1 ZINC000001330225 560574105 /nfs/dbraw/zinc/57/41/05/560574105.db2.gz HUPLUPIWOVLLGM-UHFFFAOYSA-N 0 0 424.504 5.080 40 0 HKABRN Cc1ccc2[nH]c(=O)c(-c3nc4ccc(C)cn4c3NCc3ccc(F)cc3)cc2c1 ZINC000001330236 560557014 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HKABRN CCOc1ccc2[nH]c(=O)c(-c3nc4cc(C)ccn4c3NC(C)(C)CC)cc2c1 ZINC000001330393 560574096 /nfs/dbraw/zinc/57/40/96/560574096.db2.gz QEZRCRDLVBIBBC-UHFFFAOYSA-N 0 0 404.514 5.150 40 0 HKABRN CCOc1ccc2[nH]c(=O)c(-c3nc4ccc(C)cn4c3NCc3ccccc3)cc2c1 ZINC000001330427 557255991 /nfs/dbraw/zinc/25/59/91/557255991.db2.gz CTDMYAXFOAVPON-UHFFFAOYSA-N 0 0 424.504 5.162 40 0 HKABRN CCOc1ccc2[nH]c(=O)c(-c3nc4cccc(C)n4c3NC3CCCCC3)cc2c1 ZINC000001330434 560574085 /nfs/dbraw/zinc/57/40/85/560574085.db2.gz MGUVTXSOGDMEIF-UHFFFAOYSA-N 0 0 416.525 5.295 40 0 HKABRN O=C(CSc1ccc(-c2ccccc2F)nn1)Nc1cccc(C(F)(F)F)c1 ZINC000001332256 560574499 /nfs/dbraw/zinc/57/44/99/560574499.db2.gz CKFJYOCTIHKZSE-UHFFFAOYSA-N 0 0 407.392 5.032 40 0 HKABRN Cc1cccc(C(=O)Nc2ccccc2SCC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000001332335 560574517 /nfs/dbraw/zinc/57/45/17/560574517.db2.gz LDWVGHYQSZNMOZ-UHFFFAOYSA-N 0 0 424.953 5.940 40 0 HKABRN Cc1ccc(NC(=O)CSc2ccccc2NC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000001332341 560574490 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ZINC000001340349 560575451 /nfs/dbraw/zinc/57/54/51/560575451.db2.gz SFIDUMHPZLHEJI-UHFFFAOYSA-N 0 0 415.584 5.561 40 0 HKABRN COc1ccc(OC)c(C(=O)CSc2nc(C(C)C)nc3sc(C)c(C)c32)c1 ZINC000001340365 560575487 /nfs/dbraw/zinc/57/54/87/560575487.db2.gz QOSIPBWJDJAJGH-UHFFFAOYSA-N 0 0 416.568 5.424 40 0 HKABRN Cc1sc2nc(C(C)C)nc(SCC(=O)N3CCCc4ccccc43)c2c1C ZINC000001340395 560575457 /nfs/dbraw/zinc/57/54/57/560575457.db2.gz AAFPQKBJUWHIRN-UHFFFAOYSA-N 0 0 411.596 5.503 40 0 HKABRN Cc1nc(NC(=O)CSc2nc(C(C)C)nc3sc(C)c(C)c32)sc1C ZINC000001340396 560575480 /nfs/dbraw/zinc/57/54/80/560575480.db2.gz YRPAKTZIVBPKAX-UHFFFAOYSA-N 0 0 406.602 5.236 40 0 HKABRN Cc1sc2nc(C(C)C)nc(SCC(=O)N3c4ccccc4C[C@H]3C)c2c1C ZINC000001340397 560575471 /nfs/dbraw/zinc/57/54/71/560575471.db2.gz NTVCDECUKOOWHJ-CYBMUJFWSA-N 0 0 411.596 5.501 40 0 HKABRN Cc1sc2nc(C(C)C)nc(SCC(=O)N3c4ccccc4C[C@@H]3C)c2c1C ZINC000001340399 560575490 /nfs/dbraw/zinc/57/54/90/560575490.db2.gz NTVCDECUKOOWHJ-ZDUSSCGKSA-N 0 0 411.596 5.501 40 0 HKABRN O=C(NCCc1ccccc1)c1cccnc1Nc1ccc(OCc2ccccc2)cc1 ZINC000001340589 560575594 /nfs/dbraw/zinc/57/55/94/560575594.db2.gz ACWZYTFKCOLACX-UHFFFAOYSA-N 0 0 423.516 5.377 40 0 HKABRN COc1ccc(-c2cc3nc(C)cc(NCc4cccc(C(F)(F)F)c4)n3n2)cc1 ZINC000001340743 560575602 /nfs/dbraw/zinc/57/56/02/560575602.db2.gz MVXQXFDXTWQATM-UHFFFAOYSA-N 0 0 412.415 5.344 40 0 HKABRN O=C(NCc1cccs1)c1cccnc1Nc1ccc(Oc2ccccc2)cc1 ZINC000001340824 560575555 /nfs/dbraw/zinc/57/55/55/560575555.db2.gz ZIRISSUPUAFXPR-UHFFFAOYSA-N 0 0 401.491 5.609 40 0 HKABRN O=C(NCc1cccs1)c1cccnc1Nc1ccc(OCc2ccccc2)cc1 ZINC000001340855 560575585 /nfs/dbraw/zinc/57/55/85/560575585.db2.gz LAWACBMIDSXVGK-UHFFFAOYSA-N 0 0 415.518 5.396 40 0 HKABRN Cc1ccc(-c2cc3nc4c(c(NCc5cccc(C(F)(F)F)c5)n3n2)CCC4)cc1 ZINC000001340881 560575604 /nfs/dbraw/zinc/57/56/04/560575604.db2.gz FHYKNWZZIFBCCJ-UHFFFAOYSA-N 0 0 422.454 5.824 40 0 HKABRN O=C(NCCc1ccccc1)c1ccc(Nc2ccc(Oc3ccccc3)cc2)nc1 ZINC000001340913 560575597 /nfs/dbraw/zinc/57/55/97/560575597.db2.gz AVOUXBFULOWNGG-UHFFFAOYSA-N 0 0 409.489 5.590 40 0 HKABRN Cc1cccc(-c2cc3nc4c(c(NCc5cccc(C(F)(F)F)c5)n3n2)CCC4)c1 ZINC000001340965 560575580 /nfs/dbraw/zinc/57/55/80/560575580.db2.gz DPRSPJLPFUPAQR-UHFFFAOYSA-N 0 0 422.454 5.824 40 0 HKABRN O=C(NCc1ccccc1)c1ccc(Nc2ccc(OCc3ccccc3)cc2)nc1 ZINC000001341026 560575552 /nfs/dbraw/zinc/57/55/52/560575552.db2.gz RNYQNLOFVMOQBG-UHFFFAOYSA-N 0 0 409.489 5.334 40 0 HKABRN O=C(NCCc1ccccc1)c1ccc(Nc2ccc(OCc3ccccc3)cc2)nc1 ZINC000001341027 560575609 /nfs/dbraw/zinc/57/56/09/560575609.db2.gz GTOOBADXBDFWEG-UHFFFAOYSA-N 0 0 423.516 5.377 40 0 HKABRN CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1NCc1ccccc1C ZINC000001341118 560575606 /nfs/dbraw/zinc/57/56/06/560575606.db2.gz CMDCLGWWJQONNU-UHFFFAOYSA-N 0 0 416.525 5.205 40 0 HKABRN CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCc1ccc(C)cc1 ZINC000001341175 560575682 /nfs/dbraw/zinc/57/56/82/560575682.db2.gz VFVHTELPPHRVDJ-UHFFFAOYSA-N 0 0 416.525 5.205 40 0 HKABRN CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCc1cccc(C)c1 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402.473 5.035 40 0 HKABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2ccco2)cc1 ZINC000001341589 560575778 /nfs/dbraw/zinc/57/57/78/560575778.db2.gz CFWRDQWYJLCFRD-QHCPKHFHSA-N 0 0 420.509 5.014 40 0 HKABRN Cc1cccc(-c2cc3nc4c(c(NCCc5ccc(F)cc5)n3n2)CCCC4)c1 ZINC000001341590 560575795 /nfs/dbraw/zinc/57/57/95/560575795.db2.gz BJLPTMGCWRVZEZ-UHFFFAOYSA-N 0 0 400.501 5.377 40 0 HKABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2ccco2)cc1 ZINC000001341591 560575774 /nfs/dbraw/zinc/57/57/74/560575774.db2.gz CFWRDQWYJLCFRD-HSZRJFAPSA-N 0 0 420.509 5.014 40 0 HKABRN Fc1cccc(-c2cc3nc4c(c(NCCc5ccc(Cl)cc5)n3n2)CCCC4)c1 ZINC000001341641 560575801 /nfs/dbraw/zinc/57/58/01/560575801.db2.gz FIRRGURBAANDMO-UHFFFAOYSA-N 0 0 420.919 5.722 40 0 HKABRN Fc1ccc(CCNc2c3c(nc4cc(-c5cccc(F)c5)nn42)CCCC3)cc1 ZINC000001341646 560575767 /nfs/dbraw/zinc/57/57/67/560575767.db2.gz XESWDKINCXCWES-UHFFFAOYSA-N 0 0 404.464 5.208 40 0 HKABRN Fc1ccc(CCNc2c3c(nc4cc(-c5cccc(Cl)c5)nn42)CCCC3)cc1 ZINC000001341710 560575765 /nfs/dbraw/zinc/57/57/65/560575765.db2.gz DXMDNXIYSQNRKA-UHFFFAOYSA-N 0 0 420.919 5.722 40 0 HKABRN COc1cccc(-c2cc3nc4c(c(NCc5ccc(F)cc5)n3n2)CCCC4)c1 ZINC000001341738 560575792 /nfs/dbraw/zinc/57/57/92/560575792.db2.gz WYVAWMHQDHLZPG-UHFFFAOYSA-N 0 0 402.473 5.035 40 0 HKABRN Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 ZINC000001341756 560575743 /nfs/dbraw/zinc/57/57/43/560575743.db2.gz HIQHZOLPTZGJTO-QFIPXVFZSA-N 0 0 422.550 5.487 40 0 HKABRN Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1 ZINC000001341758 560575797 /nfs/dbraw/zinc/57/57/97/560575797.db2.gz HIQHZOLPTZGJTO-JOCHJYFZSA-N 0 0 422.550 5.487 40 0 HKABRN Cc1ccc(C(=O)N(CC(=O)NC2CCCCC2)c2cccc(C(F)(F)F)c2)s1 ZINC000001342235 560575896 /nfs/dbraw/zinc/57/58/96/560575896.db2.gz QSBKRSMYZIDPNZ-UHFFFAOYSA-N 0 0 424.488 5.171 40 0 HKABRN Cc1ccc(C)c(CN2c3cc(C(=O)NC4CCCCC4)ccc3OC(C)(C)C2=O)c1 ZINC000001342343 560575907 /nfs/dbraw/zinc/57/59/07/560575907.db2.gz KLUVESWYJDMMOD-UHFFFAOYSA-N 0 0 420.553 5.070 40 0 HKABRN Cc1ccc(C)c(CN2c3cc(C(=O)Nc4ccccc4)ccc3OC(C)(C)C2=O)c1 ZINC000001342397 560575996 /nfs/dbraw/zinc/57/59/96/560575996.db2.gz VXDCSCLGUWLZBQ-UHFFFAOYSA-N 0 0 414.505 5.260 40 0 HKABRN Cc1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)C(C)(C)O3)cc1 ZINC000001342433 560575981 /nfs/dbraw/zinc/57/59/81/560575981.db2.gz XIDCVHYQSSDJCO-UHFFFAOYSA-N 0 0 418.468 5.091 40 0 HKABRN Cc1ccc(CN2c3cc(C(=O)Nc4ccc(C)cc4)ccc3OC(C)(C)C2=O)cc1 ZINC000001342444 560575943 /nfs/dbraw/zinc/57/59/43/560575943.db2.gz JRLWBBZVDGVWAX-UHFFFAOYSA-N 0 0 414.505 5.260 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)CSc1nc(C(C)(C)C)nc2ccccc21 ZINC000001342526 560575977 /nfs/dbraw/zinc/57/59/77/560575977.db2.gz FBFIRFATZCWZAO-UHFFFAOYSA-N 0 0 415.946 5.320 40 0 HKABRN O=C(Nc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1)c1cccs1 ZINC000001342614 560575985 /nfs/dbraw/zinc/57/59/85/560575985.db2.gz NINQBDFAFZBRJS-UHFFFAOYSA-N 0 0 416.550 6.060 40 0 HKABRN O=C(CSc1nc(Cc2ccccc2)nc2ccccc21)Nc1cccc(F)c1 ZINC000001342627 560575963 /nfs/dbraw/zinc/57/59/63/560575963.db2.gz QEEZIXNSKUMTTD-UHFFFAOYSA-N 0 0 403.482 5.091 40 0 HKABRN O=C(CSc1nc(Cc2ccccc2)nc2ccccc21)Nc1ccccc1Cl ZINC000001342629 560575957 /nfs/dbraw/zinc/57/59/57/560575957.db2.gz ZUULNIGEXQCVFZ-UHFFFAOYSA-N 0 0 419.937 5.605 40 0 HKABRN O=C(CSc1nc(Cc2ccccc2)nc2ccccc21)Nc1ccc(F)cc1 ZINC000001342650 560575950 /nfs/dbraw/zinc/57/59/50/560575950.db2.gz KYQSPTRKWMECJA-UHFFFAOYSA-N 0 0 403.482 5.091 40 0 HKABRN CCCc1nc2ccccc2c(SCC(=O)Nc2ccccc2Br)n1 ZINC000001342752 560576118 /nfs/dbraw/zinc/57/61/18/560576118.db2.gz FAKFCMFFKNZXEH-UHFFFAOYSA-N 0 0 416.344 5.076 40 0 HKABRN CCCc1nc2ccccc2c(SCC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000001342769 560576071 /nfs/dbraw/zinc/57/60/71/560576071.db2.gz LSNJXYUSXXWGPT-UHFFFAOYSA-N 0 0 405.445 5.332 40 0 HKABRN CC(C)c1ccc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2c1 ZINC000001342817 560576076 /nfs/dbraw/zinc/57/60/76/560576076.db2.gz TUDLYWRFLDZAFJ-UHFFFAOYSA-N 0 0 401.535 5.354 40 0 aggregator HKABRN COc1ccc(C(=O)CSc2nc(Cc3cccs3)nc3ccccc32)cc1 ZINC000001342824 560576079 /nfs/dbraw/zinc/57/60/79/560576079.db2.gz KXFCLBVKCPPOLK-UHFFFAOYSA-N 0 0 406.532 5.266 40 0 HKABRN O=C(CSc1nc(Cc2cccs2)nc2ccccc21)c1ccc(Cl)cc1 ZINC000001342827 560576073 /nfs/dbraw/zinc/57/60/73/560576073.db2.gz YMASDRSFALUANA-UHFFFAOYSA-N 0 0 410.951 5.911 40 0 HKABRN CC(C)c1nc2ccccc2c(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1 ZINC000001342951 560576127 /nfs/dbraw/zinc/57/61/27/560576127.db2.gz PAOIWOZCTHQQQV-UHFFFAOYSA-N 0 0 420.563 5.608 40 0 HKABRN CC(C)c1nc2ccccc2c(SCC(=O)Nc2nc(C(C)(C)C)cs2)n1 ZINC000001342977 560576126 /nfs/dbraw/zinc/57/61/26/560576126.db2.gz KVKDXPJVAWAWAJ-UHFFFAOYSA-N 0 0 400.573 5.238 40 0 HKABRN CC(C)CN(C(=O)COc1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)s1 ZINC000001345505 560576251 /nfs/dbraw/zinc/57/62/51/560576251.db2.gz FOUUOCUNSJHUHK-UHFFFAOYSA-N 0 0 419.909 5.066 40 0 HKABRN COc1ccc(-c2nnc(N(Cc3ccccc3)C(=O)C3CCCCC3)s2)cc1 ZINC000001345518 560576264 /nfs/dbraw/zinc/57/62/64/560576264.db2.gz 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CC(C)c1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4Cl)C3)n2)cc1 ZINC000001360135 560578497 /nfs/dbraw/zinc/57/84/97/560578497.db2.gz UZLJXJHPPRSATL-SFHVURJKSA-N 0 0 409.917 5.533 40 0 HKABRN CC(C)c1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccccc4Cl)C3)n2)cc1 ZINC000001360137 560578498 /nfs/dbraw/zinc/57/84/98/560578498.db2.gz UZLJXJHPPRSATL-GOSISDBHSA-N 0 0 409.917 5.533 40 0 HKABRN COc1cccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccc(C(C)C)cc4)C3)n2)c1 ZINC000001360334 560578651 /nfs/dbraw/zinc/57/86/51/560578651.db2.gz WIALGBORWSPMPS-LJQANCHMSA-N 0 0 420.513 5.280 40 0 HKABRN COc1cccc(-c2noc([C@H]3CCCN(C(=O)Nc4ccc(C(C)C)cc4)C3)n2)c1 ZINC000001360336 560578599 /nfs/dbraw/zinc/57/85/99/560578599.db2.gz WIALGBORWSPMPS-IBGZPJMESA-N 0 0 420.513 5.280 40 0 HKABRN COc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)c1 ZINC000001360500 560578626 /nfs/dbraw/zinc/57/86/26/560578626.db2.gz KGOAUYLRCFHJSC-LJQANCHMSA-N 0 0 419.525 5.063 40 0 HKABRN COc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)c1 ZINC000001360502 560578638 /nfs/dbraw/zinc/57/86/38/560578638.db2.gz KGOAUYLRCFHJSC-IBGZPJMESA-N 0 0 419.525 5.063 40 0 HKABRN Cc1ccc(CN(CCc2nc3ccccc3[nH]2)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001360625 560578610 /nfs/dbraw/zinc/57/86/10/560578610.db2.gz UKHDHBXRSFCCRS-UHFFFAOYSA-N 0 0 418.928 5.802 40 0 HKABRN O=C(Nc1ccccc1Cl)N(CCc1nc2ccccc2[nH]1)CCc1ccccc1 ZINC000001360630 560578635 /nfs/dbraw/zinc/57/86/35/560578635.db2.gz UFAODVREEDEOGO-UHFFFAOYSA-N 0 0 418.928 5.536 40 0 HKABRN O=C(Nc1cccc(Cl)c1)N(CCc1nc2ccccc2[nH]1)CCc1ccccc1 ZINC000001360685 560578629 /nfs/dbraw/zinc/57/86/29/560578629.db2.gz IZJKLKYPAWLTLQ-UHFFFAOYSA-N 0 0 418.928 5.536 40 0 HKABRN Cc1cc2nc(CCN(C(=S)NCc3ccccc3)C3CCCC3)[nH]c2cc1C ZINC000001360826 560578620 /nfs/dbraw/zinc/57/86/20/560578620.db2.gz KOLLSHJUCHRNTK-UHFFFAOYSA-N 0 0 406.599 5.042 40 0 HKABRN Cc1cc2nc(CCN(C(=S)NCCc3ccccc3)C3CCCC3)[nH]c2cc1C ZINC000001360827 560578616 /nfs/dbraw/zinc/57/86/16/560578616.db2.gz JDYVPVOEUXSAQM-UHFFFAOYSA-N 0 0 420.626 5.084 40 0 HKABRN Cc1cc2nc(CCN(C(=O)Nc3ccc(F)cc3F)C3CCCC3)[nH]c2cc1C ZINC000001360868 557257216 /nfs/dbraw/zinc/25/72/16/557257216.db2.gz LLDWUQNYBORROQ-UHFFFAOYSA-N 0 0 412.484 5.477 40 0 HKABRN CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(C)cc3)C3CCCC3)cc2c1 ZINC000001360945 560578732 /nfs/dbraw/zinc/57/87/32/560578732.db2.gz HTJURYOSGJFZPC-UHFFFAOYSA-N 0 0 403.526 5.376 40 0 HKABRN Cc1ccc(NC(=O)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C2CCCC2)cc1 ZINC000001360946 560578741 /nfs/dbraw/zinc/57/87/41/560578741.db2.gz UJSRKMDYEBDEDQ-UHFFFAOYSA-N 0 0 403.526 5.430 40 0 HKABRN CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(C)cc3)C3CCCC3)cc2c1 ZINC000001360948 560578720 /nfs/dbraw/zinc/57/87/20/560578720.db2.gz FIJIWZCYKSNSDH-UHFFFAOYSA-N 0 0 419.525 5.212 40 0 HKABRN Cc1ccc(NC(=O)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C2CCCCC2)cc1 ZINC000001360950 560578739 /nfs/dbraw/zinc/57/87/39/560578739.db2.gz OKRAOJLXTGHSBO-UHFFFAOYSA-N 0 0 417.553 5.820 40 0 HKABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccc(C)cc3)cc2c1 ZINC000001360975 560578743 /nfs/dbraw/zinc/57/87/43/560578743.db2.gz RXDLTBNMKJHNCI-UHFFFAOYSA-N 0 0 415.493 5.226 40 0 HKABRN Cc1ccc(NC(=O)N(Cc2ccco2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000001360978 560578727 /nfs/dbraw/zinc/57/87/27/560578727.db2.gz KROKZQCEDDLNFT-UHFFFAOYSA-N 0 0 415.493 5.281 40 0 HKABRN Cc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)c1cc(C)ccc1C ZINC000001361054 560578721 /nfs/dbraw/zinc/57/87/21/560578721.db2.gz FVHDXZMRUQCZTC-UHFFFAOYSA-N 0 0 410.558 5.208 40 0 HKABRN Cc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)c1ccc(C(C)C)cc1 ZINC000001361063 560578740 /nfs/dbraw/zinc/57/87/40/560578740.db2.gz BHUAEZPCXGMNLF-UHFFFAOYSA-N 0 0 424.585 5.715 40 0 HKABRN CCCC(=O)Nc1ccc(-c2nc(-c3ccccc3)n(Cc3ccc(F)cc3)n2)cc1 ZINC000001361646 560578952 /nfs/dbraw/zinc/57/89/52/560578952.db2.gz HOEKUTGHNBHIIZ-UHFFFAOYSA-N 0 0 414.484 5.538 40 0 HKABRN COc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1 ZINC000001362698 560579267 /nfs/dbraw/zinc/57/92/67/560579267.db2.gz RWXNESZONDYXHK-LJQANCHMSA-N 0 0 419.525 5.063 40 0 HKABRN COc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1 ZINC000001362702 560579221 /nfs/dbraw/zinc/57/92/21/560579221.db2.gz RWXNESZONDYXHK-IBGZPJMESA-N 0 0 419.525 5.063 40 0 HKABRN CCCc1nc2ccc(NC(=O)C(C)(C)C)cc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000001363182 560579549 /nfs/dbraw/zinc/57/95/49/560579549.db2.gz QWSUCUORRSGNMP-UHFFFAOYSA-N 0 0 411.933 5.035 40 0 HKABRN Cc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1 ZINC000001363394 560579538 /nfs/dbraw/zinc/57/95/38/560579538.db2.gz SGIDAZLUGMLNSO-FQEVSTJZSA-N 0 0 403.526 5.362 40 0 HKABRN Cc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1 ZINC000001363399 560579559 /nfs/dbraw/zinc/57/95/59/560579559.db2.gz SGIDAZLUGMLNSO-HXUWFJFHSA-N 0 0 403.526 5.362 40 0 HKABRN CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000001363762 560579765 /nfs/dbraw/zinc/57/97/65/560579765.db2.gz QXMHQRHRALXGEH-GOSISDBHSA-N 0 0 423.944 5.707 40 0 HKABRN CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000001363768 560579721 /nfs/dbraw/zinc/57/97/21/560579721.db2.gz QXMHQRHRALXGEH-SFHVURJKSA-N 0 0 423.944 5.707 40 0 HKABRN O=C(c1cccc(Cl)c1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000001363794 560579791 /nfs/dbraw/zinc/57/97/91/560579791.db2.gz QIPFJKQANTWPKM-OAHLLOKOSA-N 0 0 402.281 5.063 40 0 HKABRN O=C(c1cccc(Cl)c1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000001363799 560579820 /nfs/dbraw/zinc/57/98/20/560579820.db2.gz QIPFJKQANTWPKM-HNNXBMFYSA-N 0 0 402.281 5.063 40 0 HKABRN O=C(Nc1ccccc1Cl)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000001363861 560579789 /nfs/dbraw/zinc/57/97/89/560579789.db2.gz CKMBQQKHWJKUQT-CQSZACIVSA-N 0 0 417.296 5.455 40 0 HKABRN O=C(Nc1ccccc1Cl)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000001363866 560579800 /nfs/dbraw/zinc/57/98/00/560579800.db2.gz CKMBQQKHWJKUQT-AWEZNQCLSA-N 0 0 417.296 5.455 40 0 HKABRN O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000001363887 560579786 /nfs/dbraw/zinc/57/97/86/560579786.db2.gz UBGPIWKDXRLZBF-HNNXBMFYSA-N 0 0 402.281 5.063 40 0 HKABRN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000001363893 560579829 /nfs/dbraw/zinc/57/98/29/560579829.db2.gz UBGPIWKDXRLZBF-OAHLLOKOSA-N 0 0 402.281 5.063 40 0 HKABRN Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)Nc3ccc(C(C)C)cc3)C3CC3)cc2c1 ZINC000001364775 560579896 /nfs/dbraw/zinc/57/98/96/560579896.db2.gz JHMJWXUYWWQYTG-UHFFFAOYSA-N 0 0 403.526 5.465 40 0 HKABRN Cc1cc(C)c2nc(Cl)c(CN(Cc3ccco3)C(=O)c3cccc(F)c3)cc2c1 ZINC000001364802 560579892 /nfs/dbraw/zinc/57/98/92/560579892.db2.gz NBJKJZCYYBHUIJ-UHFFFAOYSA-N 0 0 422.887 6.080 40 0 HKABRN CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(C(C)C)cc3)C3CC3)cc2c1 ZINC000001364846 569049049 /nfs/dbraw/zinc/04/90/49/569049049.db2.gz RLBSQRYTRCKXAZ-UHFFFAOYSA-N 0 0 419.525 5.247 40 0 HKABRN COc1ccc(CN(Cc2cc3cccc(C)c3nc2Cl)C(=O)c2ccco2)cc1 ZINC000001364899 560579886 /nfs/dbraw/zinc/57/98/86/560579886.db2.gz GAQTYZBSLQBZNG-UHFFFAOYSA-N 0 0 420.896 5.641 40 0 HKABRN CCCC(=O)N1CCc2cc(-c3nc(NC(=O)c4ccccc4F)sc3C)ccc21 ZINC000001365701 560580087 /nfs/dbraw/zinc/58/00/87/560580087.db2.gz MUTOWYBODDIWPU-UHFFFAOYSA-N 0 0 423.513 5.199 40 0 HKABRN CCCC(=O)N1CCc2cc(-c3csc(NC(=O)CCc4ccccc4)n3)ccc21 ZINC000001365717 560580073 /nfs/dbraw/zinc/58/00/73/560580073.db2.gz CTZNXCZITQTJCJ-UHFFFAOYSA-N 0 0 419.550 5.071 40 0 HKABRN CCCC(=O)N1CCc2cc(-c3nc(NC(=O)c4cccc(F)c4)sc3C)ccc21 ZINC000001365720 560580077 /nfs/dbraw/zinc/58/00/77/560580077.db2.gz SUDYOGSKYVLBLZ-UHFFFAOYSA-N 0 0 423.513 5.199 40 0 HKABRN Cc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccc2c(c1)CCN2C(=O)C(C)C ZINC000001365772 560580056 /nfs/dbraw/zinc/58/00/56/560580056.db2.gz ZIARKQOOTUKAFD-UHFFFAOYSA-N 0 0 423.513 5.055 40 0 HKABRN Cc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1 ZINC000001365825 560580208 /nfs/dbraw/zinc/58/02/08/560580208.db2.gz LDJRONFDUNAZBG-GOSISDBHSA-N 0 0 424.488 5.142 40 0 HKABRN Cc1cccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1 ZINC000001365832 560580214 /nfs/dbraw/zinc/58/02/14/560580214.db2.gz SOZGPDRWBRELHC-GOSISDBHSA-N 0 0 424.488 5.142 40 0 aggregator HKABRN Cc1ccccc1N(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000001365833 560580163 /nfs/dbraw/zinc/58/01/63/560580163.db2.gz VHQFCMXZVGTTRA-SFHVURJKSA-N 0 0 424.488 5.142 40 0 HKABRN Cc1ccccc1N(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000001365836 560580197 /nfs/dbraw/zinc/58/01/97/560580197.db2.gz VHQFCMXZVGTTRA-GOSISDBHSA-N 0 0 424.488 5.142 40 0 HKABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)C(F)(F)F)c2ccccc2)s1 ZINC000001365918 560580171 /nfs/dbraw/zinc/58/01/71/560580171.db2.gz XWFKJDHMCSLLQG-SFHVURJKSA-N 0 0 424.488 5.142 40 0 HKABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)C(F)(F)F)c2ccccc2)s1 ZINC000001365921 560580206 /nfs/dbraw/zinc/58/02/06/560580206.db2.gz XWFKJDHMCSLLQG-GOSISDBHSA-N 0 0 424.488 5.142 40 0 HKABRN Cc1sc(NC(=O)C2CCCCC2)nc1-c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 ZINC000001366254 560580246 /nfs/dbraw/zinc/58/02/46/560580246.db2.gz APGYYRMDRCUFAE-CQSZACIVSA-N 0 0 423.582 5.325 40 0 HKABRN Cc1sc(NC(=O)C2CCCCC2)nc1-c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 ZINC000001366257 560580257 /nfs/dbraw/zinc/58/02/57/560580257.db2.gz APGYYRMDRCUFAE-AWEZNQCLSA-N 0 0 423.582 5.325 40 0 HKABRN O=C(CC1CCCCC1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1 ZINC000001366261 560580288 /nfs/dbraw/zinc/58/02/88/560580288.db2.gz VIXWJVCPDYSFFA-UHFFFAOYSA-N 0 0 409.555 5.018 40 0 HKABRN O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1)c1cccc(Cl)c1 ZINC000001366298 569049065 /nfs/dbraw/zinc/04/90/65/569049065.db2.gz JFVOVDLYJQMJBY-UHFFFAOYSA-N 0 0 423.925 5.015 40 0 HKABRN Cc1cccc(C(=O)N(Cc2ccccc2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)c1 ZINC000001366393 560580352 /nfs/dbraw/zinc/58/03/52/560580352.db2.gz PZAZICWMHNVOPN-UHFFFAOYSA-N 0 0 410.517 5.296 40 0 HKABRN Cc1cc(C)c2cc(CN(Cc3ccccc3)C(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000001366394 560580357 /nfs/dbraw/zinc/58/03/57/560580357.db2.gz HHRTWEXYKJOIKH-UHFFFAOYSA-N 0 0 414.480 5.127 40 0 HKABRN Cc1cc(C)c2cc(CN(Cc3ccccc3Cl)C(=O)c3ccco3)c(=O)[nH]c2c1 ZINC000001366404 560580387 /nfs/dbraw/zinc/58/03/87/560580387.db2.gz GHFLVDZRVKXMKE-UHFFFAOYSA-N 0 0 420.896 5.234 40 0 HKABRN Cc1cc(C)c2cc(CN(CCc3ccccc3)C(=O)c3ccccc3)c(=O)[nH]c2c1 ZINC000001366431 560580354 /nfs/dbraw/zinc/58/03/54/560580354.db2.gz STMBGWVYBCJZJU-UHFFFAOYSA-N 0 0 410.517 5.030 40 0 HKABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3ccc(F)cc3)cc12 ZINC000001366466 560580393 /nfs/dbraw/zinc/58/03/93/560580393.db2.gz SZZCNTVJCJQGRE-UHFFFAOYSA-N 0 0 420.509 5.188 40 0 HKABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3cccs3)cc12 ZINC000001366475 560580400 /nfs/dbraw/zinc/58/04/00/560580400.db2.gz OLNYWXCZDKIQTL-UHFFFAOYSA-N 0 0 402.519 5.049 40 0 HKABRN CC(C)CC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCCC2)cs1 ZINC000001366509 560580486 /nfs/dbraw/zinc/58/04/86/560580486.db2.gz HHPBZRKFPIWNKY-UHFFFAOYSA-N 0 0 411.571 5.264 40 0 HKABRN Cc1ccc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)C3CCCCC3)cc12 ZINC000001366513 560580495 /nfs/dbraw/zinc/58/04/95/560580495.db2.gz WAQNUEFBXNWSJK-UHFFFAOYSA-N 0 0 416.565 5.297 40 0 HKABRN O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCCC2)cs1)C1CCC1 ZINC000001366557 560580481 /nfs/dbraw/zinc/58/04/81/560580481.db2.gz JRMVGNNTRCRAIF-UHFFFAOYSA-N 0 0 409.555 5.018 40 0 HKABRN Cc1sc(NC(=O)C2CCC2)nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1 ZINC000001366559 560580475 /nfs/dbraw/zinc/58/04/75/560580475.db2.gz BJSZQYQBSYUSLX-UHFFFAOYSA-N 0 0 423.582 5.327 40 0 HKABRN Cc1ccc(C(=O)N(Cc2ccccc2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000001366561 560580508 /nfs/dbraw/zinc/58/05/08/560580508.db2.gz POUDFVVWYUADNJ-UHFFFAOYSA-N 0 0 410.517 5.296 40 0 HKABRN Cc1cc2cc(CN(CCc3ccccc3)C(=O)c3cccs3)c(=O)[nH]c2cc1C ZINC000001366585 560580496 /nfs/dbraw/zinc/58/04/96/560580496.db2.gz WMQOSTGMTXLQDR-UHFFFAOYSA-N 0 0 416.546 5.092 40 0 HKABRN Cc1cc2cc(CN(CCc3ccccc3)C(=O)c3ccccc3)c(=O)[nH]c2cc1C ZINC000001366587 560580510 /nfs/dbraw/zinc/58/05/10/560580510.db2.gz SFQAWSDXDNUMPI-UHFFFAOYSA-N 0 0 410.517 5.030 40 0 HKABRN 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/nfs/dbraw/zinc/58/07/05/560580705.db2.gz CJCGSFJWDXRMRG-UHFFFAOYSA-N 0 0 409.530 5.149 40 0 HKABRN Cc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NCc3cccs3)c2c1 ZINC000001367418 560580693 /nfs/dbraw/zinc/58/06/93/560580693.db2.gz GIDMUBPTVIBSOM-UHFFFAOYSA-N 0 0 423.538 5.214 40 0 HKABRN Cc1ccc2c(c1)nc(-c1ccc(F)cc1)nc2SCC(=O)Nc1ccccc1 ZINC000001367424 560580684 /nfs/dbraw/zinc/58/06/84/560580684.db2.gz WOFYJLMDQUROTO-UHFFFAOYSA-N 0 0 403.482 5.475 40 0 HKABRN Cc1cccc2c(SCC(=O)NCc3cccs3)nc(-c3ccc(F)cc3)nc12 ZINC000001367431 560580731 /nfs/dbraw/zinc/58/07/31/560580731.db2.gz WPMQRRVZOBLWLJ-UHFFFAOYSA-N 0 0 423.538 5.214 40 0 HKABRN Cc1cccc2cc(CN(Cc3ccccc3)C(=O)c3cccs3)c(Cl)nc12 ZINC000001367590 560580750 /nfs/dbraw/zinc/58/07/50/560580750.db2.gz XXTHNGGGSJRDMT-UHFFFAOYSA-N 0 0 406.938 6.101 40 0 HKABRN Cc1ccc(-c2nc3ccccc3c(SCC(=O)NCc3ccc(F)cc3)n2)cc1 ZINC000001367595 560580755 /nfs/dbraw/zinc/58/07/55/560580755.db2.gz LFUCFONPMQFDBX-UHFFFAOYSA-N 0 0 417.509 5.153 40 0 HKABRN 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CC(C)c1nc2sc3c(c2c(SCC(=O)Nc2nccs2)n1)CC[C@@H](C)C3 ZINC000001375690 560581346 /nfs/dbraw/zinc/58/13/46/560581346.db2.gz PPKUGEAFAXMLKV-LLVKDONJSA-N 0 0 418.613 5.127 40 0 HKABRN CC(C)c1nc2sc3c(c2c(SCC(=O)c2cccs2)n1)CC[C@H](C)C3 ZINC000001375691 560581348 /nfs/dbraw/zinc/58/13/48/560581348.db2.gz PWTDTJXCFJKDHQ-LBPRGKRZSA-N 0 0 402.610 5.976 40 0 HKABRN CC(C)c1nc2sc3c(c2c(SCC(=O)c2cccs2)n1)CC[C@@H](C)C3 ZINC000001375692 560581305 /nfs/dbraw/zinc/58/13/05/560581305.db2.gz PWTDTJXCFJKDHQ-GFCCVEGCSA-N 0 0 402.610 5.976 40 0 HKABRN Cc1nc2sc3c(c2c(SCC(=O)c2ccc(Cl)cc2)n1)CC[C@H](C)C3 ZINC000001375701 560581298 /nfs/dbraw/zinc/58/12/98/560581298.db2.gz KXDXJTBVOJAWLE-NSHDSACASA-N 0 0 402.972 5.753 40 0 HKABRN Cc1nc2sc3c(c2c(SCC(=O)c2ccc(Cl)cc2)n1)CC[C@@H](C)C3 ZINC000001375702 560581311 /nfs/dbraw/zinc/58/13/11/560581311.db2.gz KXDXJTBVOJAWLE-LLVKDONJSA-N 0 0 402.972 5.753 40 0 HKABRN Cc1nc2sc3c(c2c(SCC(=O)c2c[nH]c4ccccc42)n1)CC[C@H](C)C3 ZINC000001375703 560581389 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COc1ccc(C(=O)CSc2nc(C3CC3)nc3sc4c(c32)CC[C@H](C)C4)cc1 ZINC000001377264 560581741 /nfs/dbraw/zinc/58/17/41/560581741.db2.gz OAKCXGSNOOJLMX-ZDUSSCGKSA-N 0 0 424.591 5.677 40 0 HKABRN COc1ccc(C(=O)CSc2nc(C3CC3)nc3sc4c(c32)CC[C@@H](C)C4)cc1 ZINC000001377265 560581774 /nfs/dbraw/zinc/58/17/74/560581774.db2.gz OAKCXGSNOOJLMX-CYBMUJFWSA-N 0 0 424.591 5.677 40 0 HKABRN C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NC4CCCCC4)c32)C1 ZINC000001377272 560581759 /nfs/dbraw/zinc/58/17/59/560581759.db2.gz XIIAZZYKMVCRJS-ZDUSSCGKSA-N 0 0 415.628 5.235 40 0 HKABRN C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NC4CCCCC4)c32)C1 ZINC000001377273 560581743 /nfs/dbraw/zinc/58/17/43/560581743.db2.gz XIIAZZYKMVCRJS-CYBMUJFWSA-N 0 0 415.628 5.235 40 0 HKABRN Cc1ccccc1NC(=O)CSc1nc(C2CC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC000001377276 560581788 /nfs/dbraw/zinc/58/17/88/560581788.db2.gz TUGOIKIJVSEEGR-ZDUSSCGKSA-N 0 0 423.607 5.733 40 0 HKABRN Cc1ccccc1NC(=O)CSc1nc(C2CC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC000001377277 560581790 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ZINC000001377308 560581748 /nfs/dbraw/zinc/58/17/48/560581748.db2.gz OCBAZNYGUBKXCO-KBPBESRZSA-N 0 0 415.628 5.044 40 0 HKABRN C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)N4CCC[C@H](C)C4)c32)C1 ZINC000001377309 560581773 /nfs/dbraw/zinc/58/17/73/560581773.db2.gz OCBAZNYGUBKXCO-KGLIPLIRSA-N 0 0 415.628 5.044 40 0 HKABRN C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)c4ccccc4F)c32)C1 ZINC000001377322 560581762 /nfs/dbraw/zinc/58/17/62/560581762.db2.gz PALDRURGBDBLRC-LBPRGKRZSA-N 0 0 412.555 5.808 40 0 HKABRN C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)c4ccccc4F)c32)C1 ZINC000001377323 560581802 /nfs/dbraw/zinc/58/18/02/560581802.db2.gz PALDRURGBDBLRC-GFCCVEGCSA-N 0 0 412.555 5.808 40 0 HKABRN C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)c4cccs4)c32)C1 ZINC000001377332 560581810 /nfs/dbraw/zinc/58/18/10/560581810.db2.gz FYEAGSOTTMNEHV-NSHDSACASA-N 0 0 400.594 5.730 40 0 HKABRN C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)c4cccs4)c32)C1 ZINC000001377333 560581815 /nfs/dbraw/zinc/58/18/15/560581815.db2.gz FYEAGSOTTMNEHV-LLVKDONJSA-N 0 0 400.594 5.730 40 0 HKABRN CC1CCN(C(=O)CSc2nc(C3CC3)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000001377334 560581818 /nfs/dbraw/zinc/58/18/18/560581818.db2.gz LDEKQRFQVJBBNN-AWEZNQCLSA-N 0 0 415.628 5.044 40 0 HKABRN CC1CCN(C(=O)CSc2nc(C3CC3)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000001377335 560581834 /nfs/dbraw/zinc/58/18/34/560581834.db2.gz LDEKQRFQVJBBNN-CQSZACIVSA-N 0 0 415.628 5.044 40 0 HKABRN COc1cccc(C(=O)CSc2nc(C3CC3)nc3sc4c(c32)CC[C@H](C)C4)c1 ZINC000001377338 560581852 /nfs/dbraw/zinc/58/18/52/560581852.db2.gz OIPWWOZQDGVECK-ZDUSSCGKSA-N 0 0 424.591 5.677 40 0 HKABRN COc1cccc(C(=O)CSc2nc(C3CC3)nc3sc4c(c32)CC[C@@H](C)C4)c1 ZINC000001377339 560581830 /nfs/dbraw/zinc/58/18/30/560581830.db2.gz OIPWWOZQDGVECK-CYBMUJFWSA-N 0 0 424.591 5.677 40 0 HKABRN Cc1sc2nc(C3CC3)nc(SCC(=O)Nc3cccc(Cl)c3)c2c1C ZINC000001377368 560581832 /nfs/dbraw/zinc/58/18/32/560581832.db2.gz NIRZZUCRVMCVSJ-UHFFFAOYSA-N 0 0 403.960 5.570 40 0 HKABRN CC(=O)c1ccc(NC(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c32)cc1 ZINC000001377370 560581824 /nfs/dbraw/zinc/58/18/24/560581824.db2.gz RBXDVNBIPSYOKR-UHFFFAOYSA-N 0 0 411.552 5.119 40 0 HKABRN Cc1sc2nc(C3CC3)nc(SCC(=O)Nc3ccccc3Cl)c2c1C ZINC000001377379 560581822 /nfs/dbraw/zinc/58/18/22/560581822.db2.gz BXFAOLBOWBRPKN-UHFFFAOYSA-N 0 0 403.960 5.570 40 0 HKABRN CCOc1ccc(NC(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c32)cc1 ZINC000001377380 560581836 /nfs/dbraw/zinc/58/18/36/560581836.db2.gz BJUWWQMTJFMGKH-UHFFFAOYSA-N 0 0 413.568 5.315 40 0 HKABRN Cc1sc2nc(C3CC3)nc(SCC(=O)Nc3cccc(Cl)c3C)c2c1C ZINC000001377383 560581850 /nfs/dbraw/zinc/58/18/50/560581850.db2.gz VPDBZTYDNHXYJB-UHFFFAOYSA-N 0 0 417.987 5.878 40 0 HKABRN CC(=O)c1cccc(NC(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c32)c1 ZINC000001377384 560581848 /nfs/dbraw/zinc/58/18/48/560581848.db2.gz WPSPBTIYPXLFJE-UHFFFAOYSA-N 0 0 411.552 5.119 40 0 HKABRN Cc1sc2nc(C3CC3)nc(SCC(=O)Nc3c(C)cc(C)cc3C)c2c1C ZINC000001377387 560581842 /nfs/dbraw/zinc/58/18/42/560581842.db2.gz IROSWDPXTYUYHT-UHFFFAOYSA-N 0 0 411.596 5.842 40 0 HKABRN COc1ccc(OC)c(C(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c32)c1 ZINC000001377402 560581798 /nfs/dbraw/zinc/58/17/98/560581798.db2.gz JZIMOFSIHFTTMZ-UHFFFAOYSA-N 0 0 414.552 5.178 40 0 HKABRN CCOc1ccccc1NC(=O)CSc1nc(C2CC2)nc2sc(C)c(C)c21 ZINC000001377419 560581805 /nfs/dbraw/zinc/58/18/05/560581805.db2.gz XDIVITCTBBVCSH-UHFFFAOYSA-N 0 0 413.568 5.315 40 0 HKABRN Cc1sc2nc(C3CC3)nc(SCC(=O)N3CCCc4ccccc43)c2c1C ZINC000001377425 560581839 /nfs/dbraw/zinc/58/18/39/560581839.db2.gz RIYCKRHBXUCEJX-UHFFFAOYSA-N 0 0 409.580 5.257 40 0 HKABRN Cc1sc2nc(C3CC3)nc(SCC(=O)N3c4ccccc4C[C@H]3C)c2c1C ZINC000001377428 560581817 /nfs/dbraw/zinc/58/18/17/560581817.db2.gz XYUFHTNTCRZDMU-GFCCVEGCSA-N 0 0 409.580 5.255 40 0 aggregator HKABRN Cc1sc2nc(C3CC3)nc(SCC(=O)N3c4ccccc4C[C@@H]3C)c2c1C ZINC000001377429 560581846 /nfs/dbraw/zinc/58/18/46/560581846.db2.gz XYUFHTNTCRZDMU-LBPRGKRZSA-N 0 0 409.580 5.255 40 0 aggregator HKABRN COc1ccc(C)cc1NC(=O)CSc1nc(C2CC2)nc2sc(C)c(C)c21 ZINC000001377433 560581811 /nfs/dbraw/zinc/58/18/11/560581811.db2.gz JOQDSJFALVIHBJ-UHFFFAOYSA-N 0 0 413.568 5.233 40 0 HKABRN CC(=O)Nc1ccc(C(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c32)cc1 ZINC000001377446 560581807 /nfs/dbraw/zinc/58/18/07/560581807.db2.gz OKOMTTCEDPLYRS-UHFFFAOYSA-N 0 0 411.552 5.119 40 0 HKABRN CC(C)c1nc2sc3c(c2c(SCC(=O)c2c[nH]c4ccccc42)n1)CCCC3 ZINC000001377450 560581809 /nfs/dbraw/zinc/58/18/09/560581809.db2.gz ODVNJFPLJHRYFO-UHFFFAOYSA-N 0 0 421.591 6.150 40 0 HKABRN CC(C)c1nc2sc3c(c2c(SCC(=O)NCc2ccccc2)n1)CCCC3 ZINC000001377457 560581955 /nfs/dbraw/zinc/58/19/55/560581955.db2.gz YKMXYNBEDQTGMJ-UHFFFAOYSA-N 0 0 411.596 5.102 40 0 HKABRN COc1ccc(C(=O)CSc2nc(C(C)C)nc3sc4c(c32)CCCC4)cc1 ZINC000001377459 560581941 /nfs/dbraw/zinc/58/19/41/560581941.db2.gz FBSKXHVVQVDTHN-UHFFFAOYSA-N 0 0 412.580 5.677 40 0 HKABRN CC(C)c1nc2sc3c(c2c(SCC(=O)Nc2ccccc2F)n1)CCCC3 ZINC000001377468 560581947 /nfs/dbraw/zinc/58/19/47/560581947.db2.gz GRZLYJYJTMFLIY-UHFFFAOYSA-N 0 0 415.559 5.563 40 0 HKABRN Cc1cccc2cc(CN(C(=O)Nc3ccccc3Cl)C3CCCC3)c(=O)[nH]c12 ZINC000001378153 560581921 /nfs/dbraw/zinc/58/19/21/560581921.db2.gz LCYGDHQDOWOEKP-UHFFFAOYSA-N 0 0 409.917 5.467 40 0 HKABRN Cc1cccc2cc(CN(C(=O)Nc3cccc(Cl)c3)C3CCCC3)c(=O)[nH]c12 ZINC000001378154 560581972 /nfs/dbraw/zinc/58/19/72/560581972.db2.gz GAOJLKWAQLKLGT-UHFFFAOYSA-N 0 0 409.917 5.467 40 0 HKABRN Cc1cccc2cc(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCC3)c(=O)[nH]c12 ZINC000001378155 560581943 /nfs/dbraw/zinc/58/19/43/560581943.db2.gz HFFMLBWDLAKEBN-UHFFFAOYSA-N 0 0 409.917 5.467 40 0 HKABRN Cc1cccc2cc(CN(C(=O)Nc3ccccc3Cl)C3CCCCC3)c(=O)[nH]c12 ZINC000001378161 560582011 /nfs/dbraw/zinc/58/20/11/560582011.db2.gz ZFRVLTDHISNPEP-UHFFFAOYSA-N 0 0 423.944 5.857 40 0 HKABRN Cc1cccc2cc(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCCC3)c(=O)[nH]c12 ZINC000001378162 560582059 /nfs/dbraw/zinc/58/20/59/560582059.db2.gz SFXPIVAXXWUKRT-UHFFFAOYSA-N 0 0 423.944 5.857 40 0 HKABRN Cc1cccc2cc(CN(C(=O)Nc3ccc(F)cc3)C3CCCCC3)c(=O)[nH]c12 ZINC000001378163 557258068 /nfs/dbraw/zinc/25/80/68/557258068.db2.gz DAVQAXKUFICIRA-UHFFFAOYSA-N 0 0 407.489 5.342 40 0 HKABRN Cc1cccc2cc(CN(C(=O)Nc3ccccc3F)C3CCCCC3)c(=O)[nH]c12 ZINC000001378165 560582033 /nfs/dbraw/zinc/58/20/33/560582033.db2.gz YYTYGXIBBHRYHF-UHFFFAOYSA-N 0 0 407.489 5.342 40 0 HKABRN COc1ccc(NC(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCCC2)cc1 ZINC000001378166 560582053 /nfs/dbraw/zinc/58/20/53/560582053.db2.gz PJMRJAFXKGJPOM-UHFFFAOYSA-N 0 0 419.525 5.212 40 0 HKABRN Cc1cccc2cc(CN(Cc3ccco3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c12 ZINC000001378186 560582064 /nfs/dbraw/zinc/58/20/64/560582064.db2.gz PPCPCBMASANDTP-UHFFFAOYSA-N 0 0 421.884 5.317 40 0 HKABRN Cc1cccc2cc(CN(Cc3ccco3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c12 ZINC000001378187 560582013 /nfs/dbraw/zinc/58/20/13/560582013.db2.gz DFLGTVZDFKZTCA-UHFFFAOYSA-N 0 0 421.884 5.317 40 0 HKABRN Cc1cccc2cc(CN(Cc3ccco3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c12 ZINC000001378188 560582015 /nfs/dbraw/zinc/58/20/15/560582015.db2.gz UKEXFAHTGXPYMD-UHFFFAOYSA-N 0 0 421.884 5.317 40 0 HKABRN Cc1cccc2cc(CN(Cc3cccs3)C(=O)Nc3ccccc3)c(=O)[nH]c12 ZINC000001378194 560582026 /nfs/dbraw/zinc/58/20/26/560582026.db2.gz PCMHQEGZBAGAGO-UHFFFAOYSA-N 0 0 403.507 5.132 40 0 HKABRN Cc1cccc2cc(CN(Cc3cccs3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c12 ZINC000001378199 560582024 /nfs/dbraw/zinc/58/20/24/560582024.db2.gz BIYWMGFKDPMCER-UHFFFAOYSA-N 0 0 421.497 5.271 40 0 HKABRN Cc1cccc2cc(CN(Cc3ccccc3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c12 ZINC000001378206 560582040 /nfs/dbraw/zinc/58/20/40/560582040.db2.gz YQCDYUBUESUMRE-UHFFFAOYSA-N 0 0 415.468 5.210 40 0 HKABRN Cc1cccc2cc(CN(Cc3ccccc3)C(=O)Nc3ccccc3F)c(=O)[nH]c12 ZINC000001378209 560582068 /nfs/dbraw/zinc/58/20/68/560582068.db2.gz BZJOLVLCPITUMS-UHFFFAOYSA-N 0 0 415.468 5.210 40 0 HKABRN Cc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)Nc2ccccc2)cc1 ZINC000001378211 560582036 /nfs/dbraw/zinc/58/20/36/560582036.db2.gz BQZCTIMUGKFEKE-UHFFFAOYSA-N 0 0 411.505 5.379 40 0 HKABRN Cc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)NC2CCCCC2)cc1 ZINC000001378212 560582031 /nfs/dbraw/zinc/58/20/31/560582031.db2.gz YUXWIGGHBRAQRX-UHFFFAOYSA-N 0 0 417.553 5.189 40 0 HKABRN Cc1cccc2cc(CN(CCc3ccccc3)C(=O)Nc3ccccc3)c(=O)[nH]c12 ZINC000001378218 560582045 /nfs/dbraw/zinc/58/20/45/560582045.db2.gz OUHKDJIOHRAYCX-UHFFFAOYSA-N 0 0 411.505 5.113 40 0 HKABRN Cc1ccc2cc(CN(C(=O)Nc3ccccc3Cl)C3CCCC3)c(=O)[nH]c2c1C ZINC000001378331 560582051 /nfs/dbraw/zinc/58/20/51/560582051.db2.gz MOGLSKMSKYVTIA-UHFFFAOYSA-N 0 0 423.944 5.775 40 0 HKABRN Cc1ccc2cc(CN(C(=O)Nc3ccc(F)cc3)C3CCCC3)c(=O)[nH]c2c1C ZINC000001378332 560582057 /nfs/dbraw/zinc/58/20/57/560582057.db2.gz LDWNHFSHSFJKAM-UHFFFAOYSA-N 0 0 407.489 5.261 40 0 HKABRN COc1ccccc1NC(=O)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000001378333 560582035 /nfs/dbraw/zinc/58/20/35/560582035.db2.gz NBHYJOHFUKCVMP-UHFFFAOYSA-N 0 0 419.525 5.130 40 0 HKABRN Cc1ccc2cc(CN(C(=O)Nc3ccccc3F)C3CCCC3)c(=O)[nH]c2c1C ZINC000001378335 560582028 /nfs/dbraw/zinc/58/20/28/560582028.db2.gz VYWXFCUXDQYTRG-UHFFFAOYSA-N 0 0 407.489 5.261 40 0 HKABRN COc1ccc(NC(=O)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C2CCCC2)cc1 ZINC000001378336 560582047 /nfs/dbraw/zinc/58/20/47/560582047.db2.gz AUSBBWIJQCAQAU-UHFFFAOYSA-N 0 0 419.525 5.130 40 0 HKABRN Cc1ccc2cc(CN(C(=O)Nc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000001378337 560582049 /nfs/dbraw/zinc/58/20/49/560582049.db2.gz JDXXXJZVGJSURS-UHFFFAOYSA-N 0 0 403.526 5.512 40 0 HKABRN Cc1ccc2cc(CN(C(=O)Nc3ccc(F)cc3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000001378338 560582197 /nfs/dbraw/zinc/58/21/97/560582197.db2.gz GZFJFFCMNLRAFN-UHFFFAOYSA-N 0 0 421.516 5.651 40 0 HKABRN Cc1ccc2cc(CN(C(=O)NCc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000001378339 560582193 /nfs/dbraw/zinc/58/21/93/560582193.db2.gz RZVOXBDGHMRZFS-UHFFFAOYSA-N 0 0 417.553 5.189 40 0 HKABRN Cc1ccc2cc(CN(C(=O)Nc3ccccc3F)C3CCCCC3)c(=O)[nH]c2c1C ZINC000001378340 560582161 /nfs/dbraw/zinc/58/21/61/560582161.db2.gz DWHXKTAOFBCWBK-UHFFFAOYSA-N 0 0 421.516 5.651 40 0 HKABRN Cc1ccc2cc(CN(Cc3cccs3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1C ZINC000001378371 560582186 /nfs/dbraw/zinc/58/21/86/560582186.db2.gz LVWJQBWKLNPFBK-UHFFFAOYSA-N 0 0 417.534 5.441 40 0 HKABRN CC(C)c1ccc(N2C(=O)C[C@]2(/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1 ZINC000001378792 560582203 /nfs/dbraw/zinc/58/22/03/560582203.db2.gz JUQUYSGBDNWPFT-YJUNHESCSA-N 0 0 416.565 5.448 40 0 HKABRN CC(C)c1ccc(N2C(=O)C[C@@]2(/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1 ZINC000001378794 560582206 /nfs/dbraw/zinc/58/22/06/560582206.db2.gz JUQUYSGBDNWPFT-FOHRATBMSA-N 0 0 416.565 5.448 40 0 HKABRN CC(C)c1nc2sc3c(c2c(SCC(=O)N2CCc4ccccc42)n1)CCCC3 ZINC000001378847 560582152 /nfs/dbraw/zinc/58/21/52/560582152.db2.gz VIZHOYXFTSXZAV-UHFFFAOYSA-N 0 0 423.607 5.375 40 0 HKABRN CC(C)c1nc2sc3c(c2c(SCC(=O)N(C(C)C)C(C)C)n1)CCCC3 ZINC000001378848 560582159 /nfs/dbraw/zinc/58/21/59/560582159.db2.gz MHJQOJYIBBEHOC-UHFFFAOYSA-N 0 0 405.633 5.431 40 0 HKABRN CC(C)c1nc2sc3c(c2c(SCC(=O)N2CCC(C)CC2)n1)CCCC3 ZINC000001378860 560582268 /nfs/dbraw/zinc/58/22/68/560582268.db2.gz UKDQOYZMWRQYDG-UHFFFAOYSA-N 0 0 403.617 5.044 40 0 HKABRN CC(C)c1nc2sc3c(c2c(SCC(=O)N2CCCCCC2)n1)CCCC3 ZINC000001378862 560582287 /nfs/dbraw/zinc/58/22/87/560582287.db2.gz MCLACDTZRLDRSY-UHFFFAOYSA-N 0 0 403.617 5.188 40 0 HKABRN COc1cccc(C(=O)CSc2nc(C(C)C)nc3sc4c(c32)CCCC4)c1 ZINC000001378863 560582270 /nfs/dbraw/zinc/58/22/70/560582270.db2.gz DQJAQVQDOKGEFH-UHFFFAOYSA-N 0 0 412.580 5.677 40 0 HKABRN CC(C)c1nc2sc3c(c2c(SCC(=O)NCc2cccs2)n1)CCCC3 ZINC000001378869 560582286 /nfs/dbraw/zinc/58/22/86/560582286.db2.gz IPHGOECJPQLVJN-UHFFFAOYSA-N 0 0 417.625 5.164 40 0 HKABRN Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1C(=O)Nc1ccc(Cl)cc1 ZINC000001378958 560582284 /nfs/dbraw/zinc/58/22/84/560582284.db2.gz TUPNNZWTMLXWDY-UHFFFAOYSA-N 0 0 406.294 5.263 40 0 HKABRN Cc1nc(NC(=O)c2cccc(Cl)c2)sc1C(=O)Nc1ccc(Cl)cc1 ZINC000001378974 560582285 /nfs/dbraw/zinc/58/22/85/560582285.db2.gz UHWSRKHZDFACLS-UHFFFAOYSA-N 0 0 406.294 5.263 40 0 HKABRN Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1C(=O)Nc1cccc(Cl)c1 ZINC000001378981 560582281 /nfs/dbraw/zinc/58/22/81/560582281.db2.gz HKEVZXDCYVRGJT-UHFFFAOYSA-N 0 0 406.294 5.263 40 0 HKABRN Cc1nc(NC(=O)c2cccc(Cl)c2)sc1C(=O)Nc1cccc(Cl)c1 ZINC000001378997 560582260 /nfs/dbraw/zinc/58/22/60/560582260.db2.gz RCMQWACZSMGPJP-UHFFFAOYSA-N 0 0 406.294 5.263 40 0 HKABRN Cc1nc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccccc1Cl ZINC000001379005 560582261 /nfs/dbraw/zinc/58/22/61/560582261.db2.gz WOQPALDCXYKHOK-UHFFFAOYSA-N 0 0 406.294 5.263 40 0 HKABRN Cc1nc(NC(=O)c2cccc(Cl)c2)sc1C(=O)Nc1ccccc1Cl ZINC000001379021 560582278 /nfs/dbraw/zinc/58/22/78/560582278.db2.gz KQIHWHYJTNPVEJ-UHFFFAOYSA-N 0 0 406.294 5.263 40 0 HKABRN Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1C(=O)Nc1ccc2c(c1)CCC2 ZINC000001379081 560582276 /nfs/dbraw/zinc/58/22/76/560582276.db2.gz GTLWTOQLFAIIBX-UHFFFAOYSA-N 0 0 411.914 5.098 40 0 HKABRN Cc1nc(NC(=O)c2cccc(Cl)c2)sc1C(=O)Nc1ccc2c(c1)CCC2 ZINC000001379098 560582279 /nfs/dbraw/zinc/58/22/79/560582279.db2.gz TUPCKCXVTVJGDM-UHFFFAOYSA-N 0 0 411.914 5.098 40 0 HKABRN Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000001379726 560582348 /nfs/dbraw/zinc/58/23/48/560582348.db2.gz SXWCEAGHSGZVFA-QHCPKHFHSA-N 0 0 415.493 5.422 40 0 HKABRN Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000001379727 560582370 /nfs/dbraw/zinc/58/23/70/560582370.db2.gz SXWCEAGHSGZVFA-HSZRJFAPSA-N 0 0 415.493 5.422 40 0 HKABRN O=C(Nc1ccccc1-c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 ZINC000001379864 557258016 /nfs/dbraw/zinc/25/80/16/557258016.db2.gz FKENTFKYUMLAOJ-JOCHJYFZSA-N 0 0 419.912 5.642 40 0 HKABRN O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1 ZINC000001379865 557258119 /nfs/dbraw/zinc/25/81/19/557258119.db2.gz FKENTFKYUMLAOJ-QFIPXVFZSA-N 0 0 419.912 5.642 40 0 HKABRN CC(C)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000001379912 560582472 /nfs/dbraw/zinc/58/24/72/560582472.db2.gz CYORHYGIYGHZJC-QHCPKHFHSA-N 0 0 420.509 5.443 40 0 HKABRN CC(C)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000001379913 560582477 /nfs/dbraw/zinc/58/24/77/560582477.db2.gz CYORHYGIYGHZJC-HSZRJFAPSA-N 0 0 420.509 5.443 40 0 HKABRN Cc1cc(C)c(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccco2)c(C)c1 ZINC000001379920 560582490 /nfs/dbraw/zinc/58/24/90/560582490.db2.gz VCBHVCLVLGQMRZ-QHCPKHFHSA-N 0 0 420.509 5.245 40 0 HKABRN Cc1cc(C)c(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccco2)c(C)c1 ZINC000001379921 560582462 /nfs/dbraw/zinc/58/24/62/560582462.db2.gz VCBHVCLVLGQMRZ-HSZRJFAPSA-N 0 0 420.509 5.245 40 0 HKABRN CCc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000001380081 557258094 /nfs/dbraw/zinc/25/80/94/557258094.db2.gz SFBZIQVXIDCERD-QFIPXVFZSA-N 0 0 422.550 5.350 40 0 HKABRN CCc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000001380082 557258046 /nfs/dbraw/zinc/25/80/46/557258046.db2.gz SFBZIQVXIDCERD-JOCHJYFZSA-N 0 0 422.550 5.350 40 0 HKABRN CCc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000001380083 560582579 /nfs/dbraw/zinc/58/25/79/560582579.db2.gz IKBNNRKHJRFAOO-QFIPXVFZSA-N 0 0 422.550 5.350 40 0 HKABRN CCc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000001380084 560582634 /nfs/dbraw/zinc/58/26/34/560582634.db2.gz IKBNNRKHJRFAOO-JOCHJYFZSA-N 0 0 422.550 5.350 40 0 HKABRN Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000001380085 560582610 /nfs/dbraw/zinc/58/26/10/560582610.db2.gz DGUHYQUQRNUSTK-NRFANRHFSA-N 0 0 408.523 5.096 40 0 HKABRN Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000001380086 560582628 /nfs/dbraw/zinc/58/26/28/560582628.db2.gz DGUHYQUQRNUSTK-OAQYLSRUSA-N 0 0 408.523 5.096 40 0 HKABRN Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1C ZINC000001380087 560582582 /nfs/dbraw/zinc/58/25/82/560582582.db2.gz BAXIXCQEGIDIIZ-QFIPXVFZSA-N 0 0 422.550 5.405 40 0 HKABRN Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1C ZINC000001380088 560582612 /nfs/dbraw/zinc/58/26/12/560582612.db2.gz BAXIXCQEGIDIIZ-JOCHJYFZSA-N 0 0 422.550 5.405 40 0 HKABRN Cc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000001380089 560582632 /nfs/dbraw/zinc/58/26/32/560582632.db2.gz AXOVKDBXHYTBLT-NRFANRHFSA-N 0 0 408.523 5.096 40 0 HKABRN Cc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000001380090 560582596 /nfs/dbraw/zinc/58/25/96/560582596.db2.gz AXOVKDBXHYTBLT-OAQYLSRUSA-N 0 0 408.523 5.096 40 0 HKABRN Cc1cccc(C)c1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000001380093 560582630 /nfs/dbraw/zinc/58/26/30/560582630.db2.gz RYSAQASACZDDOA-QFIPXVFZSA-N 0 0 422.550 5.405 40 0 HKABRN Cc1cccc(C)c1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000001380094 560582642 /nfs/dbraw/zinc/58/26/42/560582642.db2.gz RYSAQASACZDDOA-JOCHJYFZSA-N 0 0 422.550 5.405 40 0 HKABRN Cc1ccc(C)c(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000001380095 560582638 /nfs/dbraw/zinc/58/26/38/560582638.db2.gz HPSOPCRSAUMZAD-QFIPXVFZSA-N 0 0 422.550 5.405 40 0 HKABRN Cc1ccc(C)c(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000001380096 560582635 /nfs/dbraw/zinc/58/26/35/560582635.db2.gz HPSOPCRSAUMZAD-JOCHJYFZSA-N 0 0 422.550 5.405 40 0 HKABRN Cc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1C ZINC000001380099 560582717 /nfs/dbraw/zinc/58/27/17/560582717.db2.gz BBHLFOAVBAZGRF-QFIPXVFZSA-N 0 0 422.550 5.405 40 0 HKABRN Cc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1C ZINC000001380100 560582765 /nfs/dbraw/zinc/58/27/65/560582765.db2.gz BBHLFOAVBAZGRF-JOCHJYFZSA-N 0 0 422.550 5.405 40 0 HKABRN Cc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000001380101 560582767 /nfs/dbraw/zinc/58/27/67/560582767.db2.gz KEKAUSMREANUGI-NRFANRHFSA-N 0 0 408.523 5.096 40 0 HKABRN Cc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000001380102 560582719 /nfs/dbraw/zinc/58/27/19/560582719.db2.gz KEKAUSMREANUGI-OAQYLSRUSA-N 0 0 408.523 5.096 40 0 HKABRN O=C(NC1CCCC1)[C@H](c1ccccc1F)N(C(=O)c1ccco1)c1cccc(F)c1 ZINC000001380117 560582747 /nfs/dbraw/zinc/58/27/47/560582747.db2.gz LVNRBHNDQNSLGN-QFIPXVFZSA-N 0 0 424.447 5.005 40 0 HKABRN O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(C(=O)c1ccco1)c1cccc(F)c1 ZINC000001380118 560582756 /nfs/dbraw/zinc/58/27/56/560582756.db2.gz LVNRBHNDQNSLGN-JOCHJYFZSA-N 0 0 424.447 5.005 40 0 HKABRN O=C(NC1CCCC1)[C@H](c1ccccc1F)N(C(=O)c1ccco1)c1ccccc1F ZINC000001380119 557258111 /nfs/dbraw/zinc/25/81/11/557258111.db2.gz MHWSJRWXDQKRLZ-QFIPXVFZSA-N 0 0 424.447 5.005 40 0 HKABRN O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(C(=O)c1ccco1)c1ccccc1F ZINC000001380120 557258057 /nfs/dbraw/zinc/25/80/57/557258057.db2.gz MHWSJRWXDQKRLZ-JOCHJYFZSA-N 0 0 424.447 5.005 40 0 HKABRN Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000001380125 560582771 /nfs/dbraw/zinc/58/27/71/560582771.db2.gz ABXVSFFMVRRWAF-QHCPKHFHSA-N 0 0 420.484 5.174 40 0 HKABRN Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000001380126 560582773 /nfs/dbraw/zinc/58/27/73/560582773.db2.gz ABXVSFFMVRRWAF-HSZRJFAPSA-N 0 0 420.484 5.174 40 0 HKABRN Cc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000001380127 557258053 /nfs/dbraw/zinc/25/80/53/557258053.db2.gz SLDIGEZSSQLEAU-QHCPKHFHSA-N 0 0 420.484 5.174 40 0 HKABRN Cc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000001380128 557258078 /nfs/dbraw/zinc/25/80/78/557258078.db2.gz SLDIGEZSSQLEAU-HSZRJFAPSA-N 0 0 420.484 5.174 40 0 HKABRN Cc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000001380137 560582739 /nfs/dbraw/zinc/58/27/39/560582739.db2.gz ZDJCFSMMFYXIGM-QHCPKHFHSA-N 0 0 420.484 5.174 40 0 HKABRN Cc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000001380138 560582775 /nfs/dbraw/zinc/58/27/75/560582775.db2.gz ZDJCFSMMFYXIGM-HSZRJFAPSA-N 0 0 420.484 5.174 40 0 HKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)cc1 ZINC000001380180 560582734 /nfs/dbraw/zinc/58/27/34/560582734.db2.gz DMSMYXRBZUNEDM-QHCPKHFHSA-N 0 0 420.484 5.174 40 0 HKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)cc1 ZINC000001380181 560582732 /nfs/dbraw/zinc/58/27/32/560582732.db2.gz DMSMYXRBZUNEDM-HSZRJFAPSA-N 0 0 420.484 5.174 40 0 HKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(F)c2)cc1 ZINC000001380184 560582757 /nfs/dbraw/zinc/58/27/57/560582757.db2.gz RMSHHJDAEVKLSJ-QHCPKHFHSA-N 0 0 420.484 5.174 40 0 HKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(F)c2)cc1 ZINC000001380185 560582751 /nfs/dbraw/zinc/58/27/51/560582751.db2.gz RMSHHJDAEVKLSJ-HSZRJFAPSA-N 0 0 420.484 5.174 40 0 HKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2F)cc1 ZINC000001380186 560582713 /nfs/dbraw/zinc/58/27/13/560582713.db2.gz LGUQQBHXTKSEIT-QHCPKHFHSA-N 0 0 420.484 5.174 40 0 HKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2F)cc1 ZINC000001380187 560582762 /nfs/dbraw/zinc/58/27/62/560582762.db2.gz LGUQQBHXTKSEIT-HSZRJFAPSA-N 0 0 420.484 5.174 40 0 HKABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C)cc1 ZINC000001380192 560582780 /nfs/dbraw/zinc/58/27/80/560582780.db2.gz LEXYRSPHVFVEEU-DEOSSOPVSA-N 0 0 416.521 5.343 40 0 HKABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C)cc1 ZINC000001380193 560582729 /nfs/dbraw/zinc/58/27/29/560582729.db2.gz LEXYRSPHVFVEEU-XMMPIXPASA-N 0 0 416.521 5.343 40 0 HKABRN O=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)c1ccco1)c1ccccc1Cl ZINC000001380202 560582743 /nfs/dbraw/zinc/58/27/43/560582743.db2.gz CBYXORSFJIKKID-QFIPXVFZSA-N 0 0 422.912 5.380 40 0 HKABRN O=C(NC1CCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccco1)c1ccccc1Cl ZINC000001380203 560582769 /nfs/dbraw/zinc/58/27/69/560582769.db2.gz CBYXORSFJIKKID-JOCHJYFZSA-N 0 0 422.912 5.380 40 0 HKABRN Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1F ZINC000001380208 560582744 /nfs/dbraw/zinc/58/27/44/560582744.db2.gz VVPQBATYJWBIRM-QHCPKHFHSA-N 0 0 420.484 5.174 40 0 HKABRN Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1F ZINC000001380209 560582749 /nfs/dbraw/zinc/58/27/49/560582749.db2.gz VVPQBATYJWBIRM-HSZRJFAPSA-N 0 0 420.484 5.174 40 0 HKABRN Cc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000001380214 560582721 /nfs/dbraw/zinc/58/27/21/560582721.db2.gz LQRDIEVDVWUFMC-QHCPKHFHSA-N 0 0 402.494 5.035 40 0 HKABRN Cc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000001380215 560582737 /nfs/dbraw/zinc/58/27/37/560582737.db2.gz LQRDIEVDVWUFMC-HSZRJFAPSA-N 0 0 402.494 5.035 40 0 HKABRN O=C(Nc1ccccc1F)N1CCC(n2cnc3cc(C(F)(F)F)ccc32)CC1 ZINC000001380373 560582813 /nfs/dbraw/zinc/58/28/13/560582813.db2.gz AMABKTVOZUFKPA-UHFFFAOYSA-N 0 0 406.383 5.063 40 0 HKABRN Cc1ccc2c(c1)nnn2C1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000001380658 560582960 /nfs/dbraw/zinc/58/29/60/560582960.db2.gz ZKEZBJNEFAELHW-UHFFFAOYSA-N 0 0 411.509 5.335 40 0 HKABRN O=C(Nc1ccccc1-c1ccccc1)N1CCC(n2nnc3cc(F)ccc32)CC1 ZINC000001380776 557258433 /nfs/dbraw/zinc/25/84/33/557258433.db2.gz BLTYAZOUSDVAPG-UHFFFAOYSA-N 0 0 415.472 5.106 40 0 HKABRN Cn1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c2ccccc21 ZINC000001416753 557260123 /nfs/dbraw/zinc/26/01/23/557260123.db2.gz YCOKRHIYPQDDJR-GIJQJNRQSA-N 0 0 400.862 5.207 40 0 HKABRN Cc1c2c(N)c(C(=O)Nc3cccc(C(F)(F)F)c3)sc2nc2c1CCCC2 ZINC000001427458 557261811 /nfs/dbraw/zinc/26/18/11/557261811.db2.gz WXNYFFNQPIFTCL-UHFFFAOYSA-N 0 0 405.445 5.337 40 0 HKABRN O=C(Nc1ccc(C(=O)OCc2ccccc2)cc1)c1ccccc1Br ZINC000001435565 557262961 /nfs/dbraw/zinc/26/29/61/557262961.db2.gz UDGGCQPBQRBPCX-UHFFFAOYSA-N 0 0 410.267 5.058 40 0 HKABRN CCSc1nc2ccc(NC(=O)CSc3nc4ccccc4[nH]3)cc2s1 ZINC000001436895 568930611 /nfs/dbraw/zinc/93/06/11/568930611.db2.gz WHIMGTOHGZWBJB-UHFFFAOYSA-N 0 0 400.554 5.015 40 0 HKABRN Cc1cccc(C(=O)Oc2c(Br)cc(Br)c3cccnc32)c1 ZINC000001437109 557263289 /nfs/dbraw/zinc/26/32/89/557263289.db2.gz WVINXAHAZWNKOO-UHFFFAOYSA-N 0 0 421.088 5.287 40 0 HKABRN Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2cccc(C)c2)c1 ZINC000001439687 560558056 /nfs/dbraw/zinc/55/80/56/560558056.db2.gz BMPUZHHUJKQWIF-UHFFFAOYSA-N 0 0 414.534 5.282 40 0 HKABRN O=C(CSc1nnc(Nc2ccccc2)s1)Nc1cc(Cl)ccc1Cl ZINC000001439798 560558066 /nfs/dbraw/zinc/55/80/66/560558066.db2.gz NWVMDWPDRORLBF-UHFFFAOYSA-N 0 0 411.339 5.319 40 0 HKABRN CCOc1ccc(NC(=S)N2CCS[C@H]2c2ccc(Br)cc2)cc1 ZINC000001441157 557264254 /nfs/dbraw/zinc/26/42/54/557264254.db2.gz AMLAVLSVYUJWCU-KRWDZBQOSA-N 0 0 423.401 5.292 40 0 HKABRN CCOc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Br)cc2)cc1 ZINC000001441158 557264161 /nfs/dbraw/zinc/26/41/61/557264161.db2.gz AMLAVLSVYUJWCU-QGZVFWFLSA-N 0 0 423.401 5.292 40 0 HKABRN S=C(Nc1ccc(Cl)cc1)N1CCS[C@H]1c1ccc(Br)s1 ZINC000001441318 557264631 /nfs/dbraw/zinc/26/46/31/557264631.db2.gz MKKCWCMDUIHEID-ZDUSSCGKSA-N 0 0 419.822 5.608 40 0 HKABRN S=C(Nc1ccc(Cl)cc1)N1CCS[C@@H]1c1ccc(Br)s1 ZINC000001441319 557264546 /nfs/dbraw/zinc/26/45/46/557264546.db2.gz MKKCWCMDUIHEID-CYBMUJFWSA-N 0 0 419.822 5.608 40 0 HKABRN Cc1ccc(COc2ccccc2C(=S)N2CCN(c3ccccc3F)CC2)cc1 ZINC000001441462 132246156 /nfs/dbraw/zinc/24/61/56/132246156.db2.gz PEBVJHZXODRQFQ-UHFFFAOYSA-N 0 0 420.553 5.211 40 0 HKABRN COc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1ccc(C)cc1 ZINC000001441735 557264617 /nfs/dbraw/zinc/26/46/17/557264617.db2.gz TZUYIZPCRRVEDN-UHFFFAOYSA-N 0 0 403.547 5.316 40 0 HKABRN O=C(CCSc1nc2ccccc2s1)Nc1ccc(OCc2ccccc2)cc1 ZINC000001441739 557264574 /nfs/dbraw/zinc/26/45/74/557264574.db2.gz CTZPKXBPDDLJJI-UHFFFAOYSA-N 0 0 420.559 5.996 40 0 HKABRN CC(C)(C)c1ccc(Cn2c3ccccc3nc2S(=O)(=O)Cc2ccccc2)cc1 ZINC000001441750 557264610 /nfs/dbraw/zinc/26/46/10/557264610.db2.gz UMWLXADPUKUQGL-UHFFFAOYSA-N 0 0 418.562 5.356 40 0 HKABRN COC(=O)c1cc(Br)ccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000001441827 560583227 /nfs/dbraw/zinc/58/32/27/560583227.db2.gz MUAVSVOBVNYVTL-UHFFFAOYSA-N 0 0 424.294 5.006 40 0 HKABRN COc1c(Cl)ccc(Cl)c1C(=O)NC(=S)Nc1ccc(Cl)cc1Cl ZINC000001443794 557265494 /nfs/dbraw/zinc/26/54/94/557265494.db2.gz WFSXIICIYVOGRA-UHFFFAOYSA-N 0 0 424.136 5.436 40 0 HKABRN Cc1cccc(C(=O)Nc2ccc(C(=O)N(c3ccccc3)c3ccccc3)cc2)c1 ZINC000001444068 557265456 /nfs/dbraw/zinc/26/54/56/557265456.db2.gz UDAYBTMOSHBBRR-UHFFFAOYSA-N 0 0 406.485 6.226 40 0 HKABRN CC(=O)c1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)n2)cc1 ZINC000001446299 569053570 /nfs/dbraw/zinc/05/35/70/569053570.db2.gz WOFMWYCUCAVJAV-UHFFFAOYSA-N 0 0 424.508 5.922 40 0 HKABRN O=C(CSc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000001447508 557266570 /nfs/dbraw/zinc/26/65/70/557266570.db2.gz IYLKILNTSFQKOB-UHFFFAOYSA-N 0 0 411.939 5.624 40 0 HKABRN COC(CCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1)OC ZINC000001447630 568930699 /nfs/dbraw/zinc/93/06/99/568930699.db2.gz QWNGDPLLUIKMNI-UHFFFAOYSA-N 0 0 422.916 5.162 40 0 HKABRN Clc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NC[C@H]2CCCO2)c1 ZINC000001447715 568930629 /nfs/dbraw/zinc/93/06/29/568930629.db2.gz WBNQAKZOYCMZDE-LJQANCHMSA-N 0 0 404.901 5.332 40 0 HKABRN Clc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NC[C@@H]2CCCO2)c1 ZINC000001447716 568930643 /nfs/dbraw/zinc/93/06/43/568930643.db2.gz WBNQAKZOYCMZDE-IBGZPJMESA-N 0 0 404.901 5.332 40 0 HKABRN COc1cc2c(cc1OC)C(c1ccc(-c3cccc(C(F)(F)F)c3)o1)=NCC2 ZINC000001453176 557267492 /nfs/dbraw/zinc/26/74/92/557267492.db2.gz WNTNAAOXUOKYHX-UHFFFAOYSA-N 0 0 401.384 5.376 40 0 HKABRN Cc1sc2ncnc(SCC(=O)c3ccc4c(c3)OCO4)c2c1-c1ccccc1 ZINC000001465498 560558078 /nfs/dbraw/zinc/55/80/78/560558078.db2.gz SIWRWRDWSLONGJ-UHFFFAOYSA-N 0 0 420.515 5.370 40 0 HKABRN Cc1ccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3cccnc3)s2)cc1C ZINC000001465681 568990736 /nfs/dbraw/zinc/99/07/36/568990736.db2.gz DWDXOONSQNRDDQ-UHFFFAOYSA-N 0 0 400.507 5.818 40 0 HKABRN COC(=O)c1cccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)c1 ZINC000001467543 557269185 /nfs/dbraw/zinc/26/91/85/557269185.db2.gz SXHOEMCLSGYCKF-GBXBDOIYSA-N 0 0 403.522 5.258 40 0 HKABRN Cc1ccc(CSc2nc3ccccc3n2C(=O)COc2cccc(C)c2)cc1 ZINC000001467556 569056774 /nfs/dbraw/zinc/05/67/74/569056774.db2.gz VKCAFAFECKPSQG-UHFFFAOYSA-N 0 0 402.519 5.665 40 0 HKABRN CCc1cccc(C)c1N(C(=O)Cn1c(CC(C)C)nc2ccccc21)[C@@H](C)COC ZINC000001470658 557269458 /nfs/dbraw/zinc/26/94/58/557269458.db2.gz JCXOHJHUUOSSNL-FQEVSTJZSA-N 0 0 421.585 5.174 40 0 HKABRN CCc1cccc(C)c1N(C(=O)Cn1c(CC(C)C)nc2ccccc21)[C@H](C)COC ZINC000001470659 557269477 /nfs/dbraw/zinc/26/94/77/557269477.db2.gz JCXOHJHUUOSSNL-HXUWFJFHSA-N 0 0 421.585 5.174 40 0 HKABRN Nc1ccc2[nH]c(-c3ccc(-c4ccc(-c5nc6cc(N)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000001510726 557271062 /nfs/dbraw/zinc/27/10/62/557271062.db2.gz DDMIICDGIGNOCS-UHFFFAOYSA-N 0 0 416.488 5.605 40 0 HKABRN CC[C@H](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)C(C)C ZINC000001529278 569023821 /nfs/dbraw/zinc/02/38/21/569023821.db2.gz KZJWDPNRJALLNS-NGOJOFGISA-N 0 0 414.718 8.025 40 0 HKABRN Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)CC2 ZINC000001529444 558837076 /nfs/dbraw/zinc/83/70/76/558837076.db2.gz QUEDXNHFTDJVIY-RZIGYZOXSA-N 0 0 416.690 8.532 40 0 endogenous,world HKABRN CS(=O)(=O)c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1 ZINC000001532333 557271901 /nfs/dbraw/zinc/27/19/01/557271901.db2.gz AJFTZWGGHJXZOB-UHFFFAOYSA-N 0 0 411.317 5.387 40 0 investigational HKABRN O=C(Nc1cccc2ccccc21)OCCCN1CCN(c2ccccc2Cl)CC1 ZINC000001556478 132247131 /nfs/dbraw/zinc/24/71/31/132247131.db2.gz BNELZSWQTPAUAW-UHFFFAOYSA-N 0 0 423.944 5.254 40 0 HKABRN CC1(C)CC(OP(=O)(Oc2ccccc2)Oc2ccccc2)CC(C)(C)N1O ZINC000001556672 557272123 /nfs/dbraw/zinc/27/21/23/557272123.db2.gz LTSJBFAUBRQWHG-UHFFFAOYSA-N 0 0 405.431 5.680 40 0 HKABRN COc1ccc([C@H]2[C@@H](C(=O)OC3CCCCC3)C(=O)C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000001557233 557272145 /nfs/dbraw/zinc/27/21/45/557272145.db2.gz YHURCXIZSWWLLE-GPXOXTDOSA-N 0 0 422.521 5.036 40 0 HKABRN Cn1c(-c2ccccc2)c(-c2ccccc2)c(=O)c(-c2ccccc2)c1-c1ccccc1 ZINC000001557246 557272102 /nfs/dbraw/zinc/27/21/02/557272102.db2.gz RDXQCYAKPSBGDN-UHFFFAOYSA-N 0 0 413.520 7.053 40 0 HKABRN c1ccc(C2=NC[C@](c3ccccc3)(C3(c4ccccc4)SCCCS3)O2)cc1 ZINC000001557516 557272256 /nfs/dbraw/zinc/27/22/56/557272256.db2.gz YPDXNKWXEPBALI-DEOSSOPVSA-N 0 0 417.599 6.082 40 0 HKABRN CCCCSc1cc(Cc2cc(C)ccc2O)c(O)c(Cc2cc(C)ccc2O)c1 ZINC000001558197 557272191 /nfs/dbraw/zinc/27/21/91/557272191.db2.gz LKCFQIOQAIRPCA-UHFFFAOYSA-N 0 0 422.590 6.494 40 0 HKABRN COc1ccc(OC)c(NC(=O)Oc2c(C)cc(Cl)cc2Br)c1 ZINC000001560682 557272155 /nfs/dbraw/zinc/27/21/55/557272155.db2.gz JRGDFBCCOATPMK-UHFFFAOYSA-N 0 0 400.656 5.039 40 0 HKABRN COc1cc(OC)c(NC(=O)Oc2cc(C)c(Br)c(C)c2)cc1Cl ZINC000001560686 557272313 /nfs/dbraw/zinc/27/23/13/557272313.db2.gz BCIJLASKOPHKEO-UHFFFAOYSA-N 0 0 414.683 5.347 40 0 HKABRN Cc1ccc(NC(=O)Oc2cc(C)c(I)cc2C)cc1Cl ZINC000001560688 557272171 /nfs/dbraw/zinc/27/21/71/557272171.db2.gz NBIXYVJBSGPLMI-UHFFFAOYSA-N 0 0 415.658 5.481 40 0 HKABRN O=C(Nc1cccc(C(F)(F)F)c1)Oc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001560963 557272116 /nfs/dbraw/zinc/27/21/16/557272116.db2.gz ZECMKOCKTAXCJE-UHFFFAOYSA-N 0 0 419.786 6.201 40 0 HKABRN C[C@H](COc1ccc(Cl)cc1Cl)OC(=O)COc1ccc(Cl)cc1Cl ZINC000001562440 557272134 /nfs/dbraw/zinc/27/21/34/557272134.db2.gz RHTAFHUHZANICM-SNVBAGLBSA-N 0 0 424.107 5.690 40 0 HKABRN O=C(C[C@@H](c1ccccc1)[C@H]1CCCN(c2ccccc2)S1(=O)=O)c1ccccc1 ZINC000001562852 132247216 /nfs/dbraw/zinc/24/72/16/132247216.db2.gz ZMCIVDFAVZLHII-UKILVPOCSA-N 0 0 419.546 5.042 40 0 HKABRN c1ccc(COc2ccc(C3=CC[C@H]4CCCC[C@H]4C3)cc2OCc2ccccc2)cc1 ZINC000001563596 557272534 /nfs/dbraw/zinc/27/25/34/557272534.db2.gz CPEYWROBUIDLPI-FTJBHMTQSA-N 0 0 424.584 7.828 40 0 HKABRN c1ccc(COc2ccc(C3=CC[C@H]4CCCC[C@@H]4C3)cc2OCc2ccccc2)cc1 ZINC000001563597 557272663 /nfs/dbraw/zinc/27/26/63/557272663.db2.gz CPEYWROBUIDLPI-CLJLJLNGSA-N 0 0 424.584 7.828 40 0 HKABRN c1ccc(COc2ccc(C3=CC[C@@H]4CCCC[C@H]4C3)cc2OCc2ccccc2)cc1 ZINC000001563598 557272609 /nfs/dbraw/zinc/27/26/09/557272609.db2.gz CPEYWROBUIDLPI-UIOOFZCWSA-N 0 0 424.584 7.828 40 0 HKABRN c1ccc(COc2ccc(C3=CC[C@@H]4CCCC[C@@H]4C3)cc2OCc2ccccc2)cc1 ZINC000001563599 557272615 /nfs/dbraw/zinc/27/26/15/557272615.db2.gz CPEYWROBUIDLPI-IZZNHLLZSA-N 0 0 424.584 7.828 40 0 HKABRN O=C(c1c2ccccn2c(C(=O)c2ccccc2)c1-c1ccccc1)c1ccccc1 ZINC000001567636 557273004 /nfs/dbraw/zinc/27/30/04/557273004.db2.gz JTJDGBPYUADWTQ-UHFFFAOYSA-N 0 0 401.465 6.068 40 0 HKABRN Cc1cc(C)c(OC(=O)c2ccc(C(=O)Oc3c(C)cc(C)cc3C)cc2)c(C)c1 ZINC000001569211 557272988 /nfs/dbraw/zinc/27/29/88/557272988.db2.gz ROZWCSUSXKDRGI-UHFFFAOYSA-N 0 0 402.490 5.976 40 0 HKABRN O=C1CC[C@H](C(Sc2ccccc2)(Sc2ccccc2)Sc2ccccc2)C1 ZINC000001569312 569072151 /nfs/dbraw/zinc/07/21/51/569072151.db2.gz USIKWNLYPYOUFY-IBGZPJMESA-N 0 0 422.640 7.386 40 0 HKABRN c1cc2c(ccc3c2CN(C2CCCCC2)CO3)c2c1OCN(C1CCCCC1)C2 ZINC000001569508 557272999 /nfs/dbraw/zinc/27/29/99/557272999.db2.gz DSINOQVPRGNAEQ-UHFFFAOYSA-N 0 0 406.570 5.809 40 0 HKABRN c1nc2c(c(NCc3ccccc3)nnc2NCc2ccccc2)n1Cc1ccccc1 ZINC000001571313 557272838 /nfs/dbraw/zinc/27/28/38/557272838.db2.gz HJISZQDVVRVOMP-UHFFFAOYSA-N 0 0 420.520 5.099 40 0 HKABRN Clc1ccc(CN2CCCN(Cc3ccc(Cl)c(Cl)c3)S2)cc1Cl ZINC000001571671 557272991 /nfs/dbraw/zinc/27/29/91/557272991.db2.gz BIHDVBVJWPOXHB-UHFFFAOYSA-N 0 0 422.208 6.571 40 0 HKABRN FC(F)(F)c1ccc2nc3c(nc2c1)-c1ccc(Br)c2cccc-3c12 ZINC000001571862 557273009 /nfs/dbraw/zinc/27/30/09/557273009.db2.gz UYOQITLXUGSQLM-UHFFFAOYSA-N 0 0 401.185 6.212 40 0 HKABRN CC[C@@](C)(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)OCc1cccnc1 ZINC000001573374 557273141 /nfs/dbraw/zinc/27/31/41/557273141.db2.gz VKNSAVOURPMBRN-XMMPIXPASA-N 0 0 409.913 5.617 40 0 in-man HKABRN CCOC(=O)c1c(C)c(-c2ccccc2)c(-c2ccccc2)c(C)c1-c1ccccc1 ZINC000001573402 557273179 /nfs/dbraw/zinc/27/31/79/557273179.db2.gz WNEOWEAJYKIOLA-UHFFFAOYSA-N 0 0 406.525 7.481 40 0 HKABRN Cc1cccc(C)c1NC(=O)C(Cl)(Cl)Sc1ccc(Cl)cc1Cl ZINC000001573555 557273150 /nfs/dbraw/zinc/27/31/50/557273150.db2.gz SRTDIEQPSVECTD-UHFFFAOYSA-N 0 0 409.165 6.472 40 0 HKABRN CC1=C(c2ccccc2)OC(=O)C(Cl)(Cl)[C@H]1N(c1ccccc1)c1ccccc1 ZINC000001576432 557273472 /nfs/dbraw/zinc/27/34/72/557273472.db2.gz XUGWTOHBVYVQNO-QFIPXVFZSA-N 0 0 424.327 6.355 40 0 HKABRN COc1ccc([C@@H](Nc2ccccn2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000001580476 557273705 /nfs/dbraw/zinc/27/37/05/557273705.db2.gz ZGYUEKDQJPSILA-XMMPIXPASA-N 0 0 418.581 6.592 40 0 HKABRN CN(CCN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccccc1 ZINC000001580483 557273796 /nfs/dbraw/zinc/27/37/96/557273796.db2.gz ZDESVFXSRXBUOA-UHFFFAOYSA-N 0 0 418.107 5.033 40 0 HKABRN C=Cc1c(Cl)nc(C)c(C)c1-c1ccc(OC)c(OC)c1OCc1ccccc1 ZINC000001581477 569073930 /nfs/dbraw/zinc/07/39/30/569073930.db2.gz XXHDIMXSWUKFCC-UHFFFAOYSA-N 0 0 409.913 6.258 40 0 HKABRN CN(c1ccccc1)c1c(Cl)c(=O)oc2c3sc(-c4ccccc4)nc3ccc21 ZINC000001582260 557273781 /nfs/dbraw/zinc/27/37/81/557273781.db2.gz DSUZRHYZODTCET-UHFFFAOYSA-N 0 0 418.905 6.491 40 0 HKABRN CCOc1cc2c(cc1[C@H](C)c1ccc(OCc3ccccc3)c(OC)c1)OCO2 ZINC000001582287 557273770 /nfs/dbraw/zinc/27/37/70/557273770.db2.gz AEWCRSLKHLNMAM-QGZVFWFLSA-N 0 0 406.478 5.553 40 0 HKABRN c1ccc(-c2cnnc3c4c(nn32)nnc(-c2ccccc2)c4-c2ccccc2)cc1 ZINC000001582785 557274139 /nfs/dbraw/zinc/27/41/39/557274139.db2.gz KJPUGCZAQOOLMU-UHFFFAOYSA-N 0 0 400.445 5.069 40 0 HKABRN O=C(Nc1ccc(NC(=O)OCc2ccccc2)c(Cl)c1)OCc1ccccc1 ZINC000001583199 557274068 /nfs/dbraw/zinc/27/40/68/557274068.db2.gz QCMXAWRGOMUKHN-UHFFFAOYSA-N 0 0 410.857 5.837 40 0 HKABRN Clc1ccccc1C(Nc1nc2ccccc2s1)Nc1nc2ccccc2s1 ZINC000001583571 557274114 /nfs/dbraw/zinc/27/41/14/557274114.db2.gz SJSQHRNOQKHIIE-UHFFFAOYSA-N 0 0 422.966 6.782 40 0 HKABRN Fc1ccccc1C(Nc1nc2ccccc2s1)Nc1nc2ccccc2s1 ZINC000001583577 557274090 /nfs/dbraw/zinc/27/40/90/557274090.db2.gz LUBIERRGJRMOAG-UHFFFAOYSA-N 0 0 406.511 6.268 40 0 HKABRN COc1ccc(CC(=O)c2c(O)c3c(c(CC=C(C)C)c2OC)OC(C)(C)C=C3)cc1 ZINC000001583702 569073973 /nfs/dbraw/zinc/07/39/73/569073973.db2.gz FMBXPGFWTBVRHT-UHFFFAOYSA-N 0 0 422.521 5.528 40 0 HKABRN O=c1n(-c2ccccc2)c2nc3ccccc3nc2n1-c1ccc(Cl)c(Cl)c1 ZINC000001585497 557274195 /nfs/dbraw/zinc/27/41/95/557274195.db2.gz LNVSPWOZRRMMHU-UHFFFAOYSA-N 0 0 407.260 5.031 40 0 HKABRN CCCCOc1ccc(Nc2c(C(=O)OCC)cnc3cc4c(cc32)OCO4)cc1 ZINC000001586150 557274399 /nfs/dbraw/zinc/27/43/99/557274399.db2.gz XUHXNEJKDOTHOX-UHFFFAOYSA-N 0 0 408.454 5.063 40 0 HKABRN COc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2/C=C/c2ccc(Cl)cc2)cc1 ZINC000001586717 557274450 /nfs/dbraw/zinc/27/44/50/557274450.db2.gz RFALBESTBSCGMQ-XNRBQAOKSA-N 0 0 414.892 5.848 40 0 HKABRN O=C1N(C2CCCCC2)[C@@H](/C=C/c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000001586918 557274395 /nfs/dbraw/zinc/27/43/95/557274395.db2.gz QIYGYEUUHVKTEQ-BZNVDEBGSA-N 0 0 407.557 6.230 40 0 HKABRN O=C1N(C2CCCCC2)[C@H](/C=C/c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000001586920 557274365 /nfs/dbraw/zinc/27/43/65/557274365.db2.gz QIYGYEUUHVKTEQ-MTEPZQBTSA-N 0 0 407.557 6.230 40 0 HKABRN O=C(CSC(SCC(=O)Nc1ccccc1)c1ccccc1)Nc1ccccc1 ZINC000001587111 557274370 /nfs/dbraw/zinc/27/43/70/557274370.db2.gz DETLNCHMTKRLCC-UHFFFAOYSA-N 0 0 422.575 5.429 40 0 HKABRN C1CCCCCc2c(onc2-c2noc3c2CCCCCCCCCC3)CCCC1 ZINC000001588249 557274455 /nfs/dbraw/zinc/27/44/55/557274455.db2.gz ARRCPFJTONMPJR-UHFFFAOYSA-N 0 0 412.618 7.768 40 0 HKABRN CCCc1c(-c2ccccc2)nc(N)nc1-c1nc(N)nc(-c2ccccc2)c1CCC ZINC000001588434 557274668 /nfs/dbraw/zinc/27/46/68/557274668.db2.gz XWRSTZCIZPPMJL-UHFFFAOYSA-N 0 0 424.552 5.337 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)NC(C)(C)COC(=O)Nc1cccc(Cl)c1 ZINC000001588988 557274811 /nfs/dbraw/zinc/27/48/11/557274811.db2.gz MGNFKTGRQZWELS-UHFFFAOYSA-N 0 0 410.301 5.451 40 0 HKABRN CCOC(=O)Nc1ccc([C@H]2SCCN2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001589303 557274823 /nfs/dbraw/zinc/27/48/23/557274823.db2.gz CVLYCSIGZJKOAV-QGZVFWFLSA-N 0 0 405.907 5.188 40 0 HKABRN COc1ccc(C(=O)c2ccccc2)c(OC(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000001590167 557274682 /nfs/dbraw/zinc/27/46/82/557274682.db2.gz IIIAUCHHIPOPBE-UHFFFAOYSA-N 0 0 416.260 5.844 40 0 HKABRN CCOC(=O)c1cnc2ccc(C3CCCCC3)cc2c1Nc1ccc2c(c1)OCO2 ZINC000001590484 557274964 /nfs/dbraw/zinc/27/49/64/557274964.db2.gz ZQNRPFJPJJQKMS-UHFFFAOYSA-N 0 0 418.493 5.932 40 0 HKABRN Cc1c(C)c(C)c(C(=O)c2ccccc2C(=O)NCCSC(C)(C)C)c(C)c1C ZINC000001590881 557274976 /nfs/dbraw/zinc/27/49/76/557274976.db2.gz VACOUCZYTVWGLG-UHFFFAOYSA-N 0 0 411.611 5.721 40 0 HKABRN Cc1cc2c(cc1C)-c1nn(-c3ccccc3)c(-c3ccc(Cl)cc3)c1CCO2 ZINC000001591122 557274979 /nfs/dbraw/zinc/27/49/79/557274979.db2.gz LBISNZREDGWMHC-UHFFFAOYSA-N 0 0 400.909 6.411 40 0 HKABRN COc1ccc(C2=C(c3ccc(OC)cc3)c3c(OC)cc(OC)cc3OC2)cc1 ZINC000001593137 557275351 /nfs/dbraw/zinc/27/53/51/557275351.db2.gz COIHZMKRBHUILH-UHFFFAOYSA-N 0 0 404.462 5.073 40 0 HKABRN O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](Nc1ccccc1)c1ccncc1 ZINC000001596969 557275383 /nfs/dbraw/zinc/27/53/83/557275383.db2.gz CVOHYHGGAFQJDU-XMMPIXPASA-N 0 0 416.417 6.543 40 0 HKABRN O=C(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccc(Cl)cc1 ZINC000001597729 557275302 /nfs/dbraw/zinc/27/53/02/557275302.db2.gz SMGVQZFGGUDSBZ-UHFFFAOYSA-N 0 0 404.891 6.826 40 0 HKABRN Cc1ccc(S(=O)(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 ZINC000001599129 557275363 /nfs/dbraw/zinc/27/53/63/557275363.db2.gz VXPDKNCEACJTHB-UHFFFAOYSA-N 0 0 420.528 6.030 40 0 HKABRN COc1ccc(C(c2ccc(OC)c(OC)c2)C(Cl)(Cl)Cl)cc1OC ZINC000001599525 557275507 /nfs/dbraw/zinc/27/55/07/557275507.db2.gz JKLYVAJMDJZQTN-UHFFFAOYSA-N 0 0 405.705 5.223 40 0 HKABRN COc1ccc(OC)c(C(c2cc(OC)ccc2OC)C(Cl)(Cl)Cl)c1 ZINC000001599526 557275458 /nfs/dbraw/zinc/27/54/58/557275458.db2.gz HSCIEMUQAAQYLD-UHFFFAOYSA-N 0 0 405.705 5.223 40 0 HKABRN c1ccc(CC2(Cc3ccccc3)N=C(c3ccccc3)C(c3ccccc3)=N2)cc1 ZINC000001600262 557275463 /nfs/dbraw/zinc/27/54/63/557275463.db2.gz FJMMRUBGCQNJCT-UHFFFAOYSA-N 0 0 400.525 6.160 40 0 HKABRN O=C(COc1ccccc1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001600276 557275542 /nfs/dbraw/zinc/27/55/42/557275542.db2.gz CGEPQRSTZWEDMW-UHFFFAOYSA-N 0 0 400.472 5.938 40 0 HKABRN CCCCCC[C@H](C)c1ccccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000001600933 557275567 /nfs/dbraw/zinc/27/55/67/557275567.db2.gz ZMUKFOGGEIEQIC-HNNXBMFYSA-N 0 0 415.382 6.835 40 0 HKABRN S=C(Nc1ccc2c(c1)Cc1ccccc1-2)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000001602485 557275573 /nfs/dbraw/zinc/27/55/73/557275573.db2.gz OXZQLIONCTZVIC-UHFFFAOYSA-N 0 0 404.538 6.638 40 0 in-vitro HKABRN COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)=C2c1ccc2c(c1)NC(=O)CO2 ZINC000001607646 557275449 /nfs/dbraw/zinc/27/54/49/557275449.db2.gz KREUGRLQRHURCN-UHFFFAOYSA-N 0 0 413.473 5.156 40 0 HKABRN c1ccc2c(c1)CCC1=C2S/C(=C2\SC3=C(S2)c2ccccc2CC3)S1 ZINC000001607821 557275553 /nfs/dbraw/zinc/27/55/53/557275553.db2.gz HLCLRAOJDURVGY-QURGRASLSA-N 0 0 408.638 7.703 40 0 HKABRN O=C(Oc1ccc(C2CCCCC2)c(OC(=O)c2ccccc2)c1)c1ccccc1 ZINC000001609740 557275803 /nfs/dbraw/zinc/27/58/03/557275803.db2.gz LPZFLHOQQVFSAW-UHFFFAOYSA-N 0 0 400.474 6.173 40 0 HKABRN Nc1c2c(cc(Br)c1Br)Cc1cc(Br)ccc1-2 ZINC000001609838 557275753 /nfs/dbraw/zinc/27/57/53/557275753.db2.gz XCMVDULJCORVNN-UHFFFAOYSA-N 0 0 417.926 5.128 40 0 HKABRN CC(=O)Nc1c(Cl)c2c(c(Cl)c1Br)-c1ccc(Cl)cc1C2 ZINC000001609851 557275783 /nfs/dbraw/zinc/27/57/83/557275783.db2.gz NYKZGHXBCWUCOE-UHFFFAOYSA-N 0 0 405.506 5.939 40 0 HKABRN Nc1c2c(c(Br)c(Cl)c1Br)Cc1cc(Cl)ccc1-2 ZINC000001609894 557275796 /nfs/dbraw/zinc/27/57/96/557275796.db2.gz RETBRXKWDWAXBJ-UHFFFAOYSA-N 0 0 407.920 5.672 40 0 HKABRN CCOC(=O)C(C=Nc1cc(C)c2[nH]c3ccc(Cl)cc3c2c1C)C(=O)OCC ZINC000001610917 557276048 /nfs/dbraw/zinc/27/60/48/557276048.db2.gz WONAIMWCLBEIDF-UHFFFAOYSA-N 0 0 414.889 5.013 40 0 HKABRN CCc1nc(-c2ccccc2)nc2c1nc(-c1cccc(C)c1)n2Nc1ccccc1 ZINC000001611302 557275974 /nfs/dbraw/zinc/27/59/74/557275974.db2.gz ACYBMMFJPWFOQB-UHFFFAOYSA-N 0 0 405.505 5.906 40 0 HKABRN CCc1nc(-c2ccccc2)nc2c1nc(-c1ccc(C)cc1)n2Nc1ccccc1 ZINC000001611303 557275937 /nfs/dbraw/zinc/27/59/37/557275937.db2.gz CRYNGAOUYAWSMF-UHFFFAOYSA-N 0 0 405.505 5.906 40 0 HKABRN Cc1ccc(C(C)C)c2c1CN(CCCN1COc3c(C(C)C)ccc(C)c3C1)CO2 ZINC000001611859 557275996 /nfs/dbraw/zinc/27/59/96/557275996.db2.gz QRAXRAQQIUWXGX-UHFFFAOYSA-N 0 0 422.613 5.944 40 0 HKABRN CCOC(=O)c1cc2c(nc1C)-c1cc(Cl)ccc1O[C@@H]2OCc1ccccc1 ZINC000001612287 557276079 /nfs/dbraw/zinc/27/60/79/557276079.db2.gz HPPHAEGUTUEYRC-QHCPKHFHSA-N 0 0 409.869 5.495 40 0 HKABRN COc1cc(/C=C/C(=O)Oc2ccccc2)ccc1C(=O)O/C=C/c1ccccc1 ZINC000001618779 557276640 /nfs/dbraw/zinc/27/66/40/557276640.db2.gz KWKVWLLCZGKCMZ-TZSXFDEBSA-N 0 0 400.430 5.142 40 0 HKABRN O=C(c1ccccn1)c1nc(-c2ccc(Cl)c(Cl)c2)nc2ccc(Cl)cc21 ZINC000001618990 557276550 /nfs/dbraw/zinc/27/65/50/557276550.db2.gz OTATUOZZYQVDES-UHFFFAOYSA-N 0 0 414.679 5.883 40 0 HKABRN O=C1OC(c2ccccc2)=N/C1=C/c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1 ZINC000001620869 557276645 /nfs/dbraw/zinc/27/66/45/557276645.db2.gz ADPNZQKYVCZNGB-UDWIEESQSA-N 0 0 410.256 6.130 40 0 HKABRN O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000001621155 557276520 /nfs/dbraw/zinc/27/65/20/557276520.db2.gz CATQBUCEAKEMIA-UHFFFAOYSA-N 0 0 422.480 5.016 40 0 HKABRN Cc1ccc(S(=O)(=O)Oc2ccc(-c3ccc(Br)cc3)cc2)cc1 ZINC000001621430 557276562 /nfs/dbraw/zinc/27/65/62/557276562.db2.gz ARIZWDQIGUJAOE-UHFFFAOYSA-N 0 0 403.297 5.192 40 0 HKABRN O=C(O[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc2ccccc2n1 ZINC000001621996 557276514 /nfs/dbraw/zinc/27/65/14/557276514.db2.gz WOKCOSHBOZBKRP-HSZRJFAPSA-N 0 0 401.849 5.669 40 0 HKABRN O=C(Nc1cccc(Cc2cccc(NC(=O)c3ccccc3)c2)c1)c1ccccc1 ZINC000001622749 557276922 /nfs/dbraw/zinc/27/69/22/557276922.db2.gz RBXOFMVKHHBLOJ-UHFFFAOYSA-N 0 0 406.485 5.782 40 0 HKABRN Cc1ccccc1OC[C@@H](COC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1 ZINC000001624575 557277134 /nfs/dbraw/zinc/27/71/34/557277134.db2.gz YHAXHQQDFSXBAM-NRFANRHFSA-N 0 0 420.465 5.240 40 0 HKABRN CCOC(=O)Cc1nc2sc3c(c2c(Nc2ccc(F)c(Cl)c2)n1)CCCC3 ZINC000001626289 557277230 /nfs/dbraw/zinc/27/72/30/557277230.db2.gz UZPDUMPJMNJNBF-UHFFFAOYSA-N 0 0 419.909 5.212 40 0 HKABRN CCCCOC(=O)c1c(Cl)c(Cl)c(C(=O)OCCCC)c(Cl)c1Cl ZINC000001627293 557277172 /nfs/dbraw/zinc/27/71/72/557277172.db2.gz XUKIPUHQJITFEB-UHFFFAOYSA-N 0 0 416.128 6.214 40 0 HKABRN O=C(Nc1cccc(Cl)c1)Nc1cccc(OC(=O)Nc2cccc(Cl)c2)c1 ZINC000001627365 557277492 /nfs/dbraw/zinc/27/74/92/557277492.db2.gz RDDFTCJWGADNSS-UHFFFAOYSA-N 0 0 416.264 6.248 40 0 HKABRN Brc1ccc2c3c(ccc2c1)OC(c1ccccc1)(c1ccccc1)O3 ZINC000001628276 557277527 /nfs/dbraw/zinc/27/75/27/557277527.db2.gz XZXWINPMGIQDPO-UHFFFAOYSA-N 0 0 403.275 6.275 40 0 HKABRN C=CC(=O)Nc1ccccc1CC(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21 ZINC000001628802 557277553 /nfs/dbraw/zinc/27/75/53/557277553.db2.gz XVWJGTLUIRCHGF-UHFFFAOYSA-N 0 0 405.501 6.148 40 0 HKABRN O=C(c1cc2ccccc2[nH]1)C(O)(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1 ZINC000001630788 557277507 /nfs/dbraw/zinc/27/75/07/557277507.db2.gz PZTUXCCLBIOISZ-UHFFFAOYSA-N 0 0 405.457 5.249 40 0 HKABRN BrC(Br)(Br)C(c1ccccc1)c1ccccc1 ZINC000001632651 557277806 /nfs/dbraw/zinc/27/78/06/557277806.db2.gz MVMXKFOAEMFVLO-UHFFFAOYSA-N 0 0 418.954 5.657 40 0 HKABRN CCOC(=O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000001632679 557277826 /nfs/dbraw/zinc/27/78/26/557277826.db2.gz TWDWIYUBFZPGSB-UHFFFAOYSA-N 0 0 413.344 6.280 40 0 HKABRN Clc1ccc(C(=C=C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000001632696 557277753 /nfs/dbraw/zinc/27/77/53/557277753.db2.gz JJBRMSAVINYNOL-UHFFFAOYSA-N 0 0 413.347 8.156 40 0 HKABRN CCc1c(C)c(C=O)[nH]c1Cc1[nH]c(Cc2[nH]c(C=O)c(C)c2CC)c(CC)c1CC ZINC000001633041 557277837 /nfs/dbraw/zinc/27/78/37/557277837.db2.gz RONOMZLUTLYJTD-UHFFFAOYSA-N 0 0 421.585 5.344 40 0 HKABRN On1c2ccccc2c(-c2c3ccccc3n(O)c2-c2ccccc2)c1-c1ccccc1 ZINC000001635022 557277844 /nfs/dbraw/zinc/27/78/44/557277844.db2.gz FEDWHEJCPSWIEH-UHFFFAOYSA-N 0 0 416.480 7.072 40 0 HKABRN c1ccc(CSCCC(SCc2ccccc2)SCc2ccccc2)cc1 ZINC000001636943 557278080 /nfs/dbraw/zinc/27/80/80/557278080.db2.gz NOYHOWXRNVFLBW-UHFFFAOYSA-N 0 0 410.673 7.503 40 0 HKABRN CCCCCCNC(=O)/C(=C/c1ccc(Cl)cc1Cl)NC(=O)c1ccccc1 ZINC000001637164 557278043 /nfs/dbraw/zinc/27/80/43/557278043.db2.gz SOHYKCDPQJLBHI-ZHZULCJRSA-N 0 0 419.352 5.461 40 0 HKABRN Cc1nc2c(sc(=S)n2-c2ccccc2)c(SCC(=O)Nc2ccccc2)n1 ZINC000001638187 557278011 /nfs/dbraw/zinc/27/80/11/557278011.db2.gz IGQGBPZIWJFXMC-UHFFFAOYSA-N 0 0 424.576 5.251 40 0 HKABRN O=Cc1cn(CCCCCCCCn2cc(C=O)c3ccccc32)c2ccccc12 ZINC000001638879 557278024 /nfs/dbraw/zinc/27/80/24/557278024.db2.gz AWXYINCQJYFKDG-UHFFFAOYSA-N 0 0 400.522 6.262 40 0 HKABRN O=C(Nc1ccccc1Cl)Oc1ccc(-c2ccccc2)cc1Br ZINC000001640180 557278302 /nfs/dbraw/zinc/27/83/02/557278302.db2.gz ODCFYBWXCHDGIO-UHFFFAOYSA-N 0 0 402.675 6.380 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2C)c1 ZINC000001640208 557278258 /nfs/dbraw/zinc/27/82/58/557278258.db2.gz WBKLIEFWBGWJMC-UHFFFAOYSA-N 0 0 413.304 6.115 40 0 HKABRN Cc1cc(NC(=O)SCCOC(=O)COc2ccc(Cl)cc2)ccc1Cl ZINC000001640272 557278306 /nfs/dbraw/zinc/27/83/06/557278306.db2.gz NBTWCGBSNORQOI-UHFFFAOYSA-N 0 0 414.310 5.189 40 0 HKABRN Cc1ccc(NC(=O)OCCSC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000001640273 557278329 /nfs/dbraw/zinc/27/83/29/557278329.db2.gz LRQJQFYMDBIWAV-UHFFFAOYSA-N 0 0 414.310 5.189 40 0 HKABRN CCOC(=O)[C@@H](Sc1ccc(C)cc1)[C@H](Sc1ccc(C)cc1)C(=O)OCC ZINC000001641096 557278228 /nfs/dbraw/zinc/27/82/28/557278228.db2.gz QVALTQGQDJPNDF-PMACEKPBSA-N 0 0 418.580 5.051 40 0 HKABRN CCOC(=O)[C@H](Sc1ccc(C)cc1)[C@@H](Sc1ccc(C)cc1)C(=O)OCC ZINC000001641097 557278234 /nfs/dbraw/zinc/27/82/34/557278234.db2.gz QVALTQGQDJPNDF-WOJBJXKFSA-N 0 0 418.580 5.051 40 0 HKABRN CCc1ccccc1OP(=O)(Oc1ccccc1CC)Oc1ccccc1CC ZINC000001641219 557278310 /nfs/dbraw/zinc/27/83/10/557278310.db2.gz DTOOHWOPSUKNJL-UHFFFAOYSA-N 0 0 410.450 7.019 40 0 HKABRN COc1cccc([C@H]2c3cc4c(cc3O[C@H](Nc3ccccc3)[C@@H]2C)OCO4)c1OC ZINC000001642696 557278219 /nfs/dbraw/zinc/27/82/19/557278219.db2.gz GBOIKVXJSZURGV-JQRIVJTKSA-N 0 0 419.477 5.031 40 0 HKABRN c1ccc(Sc2nc(Sc3ccccc3)nc(Sc3ccccc3)n2)cc1 ZINC000001643207 557278349 /nfs/dbraw/zinc/27/83/49/557278349.db2.gz KHXOAKYTMQGYHW-UHFFFAOYSA-N 0 0 405.573 6.325 40 0 HKABRN S=C1N=C2C(=Cc3ccc(Cl)cc3)CSCC2[C@H](c2ccc(Cl)cc2)N1 ZINC000001643680 557278351 /nfs/dbraw/zinc/27/83/51/557278351.db2.gz CQMQYXXDMVGBTN-WAFIBAPDSA-N 0 0 419.402 6.008 40 0 HKABRN S=C1N=C2C(=Cc3ccc(Cl)cc3)CSCC2[C@@H](c2ccc(Cl)cc2)N1 ZINC000001643682 557278224 /nfs/dbraw/zinc/27/82/24/557278224.db2.gz CQMQYXXDMVGBTN-GIIHOQTISA-N 0 0 419.402 6.008 40 0 HKABRN Oc1ccccc1C1SC(c2ccccc2O)SC(c2ccccc2O)S1 ZINC000001644072 557278532 /nfs/dbraw/zinc/27/85/32/557278532.db2.gz FAPPLTQTFIVGDU-UHFFFAOYSA-N 0 0 414.573 6.413 40 0 HKABRN O=C(C[C@@H](c1ccccc1)c1cccc2ccccc21)c1ccc(Br)cc1 ZINC000001646498 557278521 /nfs/dbraw/zinc/27/85/21/557278521.db2.gz DZSMNBIDMCHTGR-DEOSSOPVSA-N 0 0 415.330 7.007 40 0 HKABRN O=C(C[C@@H](c1ccc(Br)cc1)c1cccc2ccccc21)c1ccccc1 ZINC000001646499 569143772 /nfs/dbraw/zinc/14/37/72/569143772.db2.gz NJBQUFWYVBXQIC-DEOSSOPVSA-N 0 0 415.330 7.007 40 0 HKABRN OC(C[C@@H](c1ccccc1)c1cccc2ccccc21)(c1ccccc1)c1ccccc1 ZINC000001646506 559062056 /nfs/dbraw/zinc/06/20/56/559062056.db2.gz AVGLOPSEIIZSCL-PMERELPUSA-N 0 0 414.548 7.298 40 0 HKABRN O=C(Nc1ccccc1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001646525 557278588 /nfs/dbraw/zinc/27/85/88/557278588.db2.gz NXEKWZFAEOAXPP-UHFFFAOYSA-N 0 0 419.906 7.218 40 0 HKABRN O=C(Nc1cccc(Cl)c1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001646528 557278501 /nfs/dbraw/zinc/27/85/01/557278501.db2.gz WIOWJWLWAPTJDR-UHFFFAOYSA-N 0 0 419.906 7.218 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001646533 557278527 /nfs/dbraw/zinc/27/85/27/557278527.db2.gz GIPHFLWHNAYKHC-UHFFFAOYSA-N 0 0 419.906 7.218 40 0 HKABRN O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(\Br)SCc1ccccc1 ZINC000001647123 557278484 /nfs/dbraw/zinc/27/84/84/557278484.db2.gz SQFBMGHDLVIEFP-MDZDMXLPSA-N 0 0 403.512 5.646 40 0 HKABRN CC(=O)Oc1ccc2c(c1)oc(=O)c(Oc1ccc(Cl)cc1)c2-c1ccccc1 ZINC000001647188 557278458 /nfs/dbraw/zinc/27/84/58/557278458.db2.gz QNPBKJAMEXFECL-UHFFFAOYSA-N 0 0 406.821 5.831 40 0 HKABRN C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)OCCC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000001648520 557278475 /nfs/dbraw/zinc/27/84/75/557278475.db2.gz DSMACWUWXMGHRZ-UBHSHLNASA-N 0 0 417.760 6.340 40 0 HKABRN CC1(C)[C@@H]2C[C@H]1C(CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl)=CC2 ZINC000001648523 557278601 /nfs/dbraw/zinc/27/86/01/557278601.db2.gz QJLPKHKSZWZRMV-STQMWFEESA-N 0 0 403.733 5.951 40 0 HKABRN CC1(C)[C@H]2C[C@@H]1C(CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl)=CC2 ZINC000001648524 557278580 /nfs/dbraw/zinc/27/85/80/557278580.db2.gz QJLPKHKSZWZRMV-CHWSQXEVSA-N 0 0 403.733 5.951 40 0 HKABRN COc1c2c(cc3occ(-c4ccc(CC=C(C)C)cc4)c(=O)c31)OC(C)(C)C=C2 ZINC000001649573 557278898 /nfs/dbraw/zinc/27/88/98/557278898.db2.gz MBKOHMUWTSBESL-UHFFFAOYSA-N 0 0 402.490 6.162 40 0 HKABRN BrC1=C(Br)C2(SCCS2)[C@H]2C[C@@H]1c1ccccc12 ZINC000001650617 557278949 /nfs/dbraw/zinc/27/89/49/557278949.db2.gz RHKMQBSXYARXQX-MNOVXSKESA-N 0 0 404.192 5.449 40 0 HKABRN COc1c(C)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(OC)c(OC)c1OC ZINC000001650819 557278946 /nfs/dbraw/zinc/27/89/46/557278946.db2.gz XUKZWFXRDDPNAW-XHGFWWIISA-N 0 0 416.602 6.991 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)N(C(=O)N1CCCCC1)c1ccccc1 ZINC000001651719 557278767 /nfs/dbraw/zinc/27/87/67/557278767.db2.gz GOYALCDANNUROC-UHFFFAOYSA-N 0 0 400.906 5.137 40 0 HKABRN O=C(c1ccc(Cl)cc1)N(C(=O)N1CCC(c2ccccc2)CC1)c1ccccc1 ZINC000001651724 557278942 /nfs/dbraw/zinc/27/89/42/557278942.db2.gz DGLIGBGGTOVBEV-UHFFFAOYSA-N 0 0 418.924 5.986 40 0 HKABRN CCC(C)(C)c1ccc(Nc2ccc(Nc3ccc(C(C)(C)CC)cc3)cc2)cc1 ZINC000001651941 557278797 /nfs/dbraw/zinc/27/87/97/557278797.db2.gz BFPZUVWLYPZRHN-UHFFFAOYSA-N 0 0 400.610 8.549 40 0 HKABRN COc1ccccc1NC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001651996 557278952 /nfs/dbraw/zinc/27/89/52/557278952.db2.gz HDYSJZNKPWLYJN-UHFFFAOYSA-N 0 0 415.487 6.573 40 0 HKABRN CCCCCCc1cc(OC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000001654163 557278837 /nfs/dbraw/zinc/27/88/37/557278837.db2.gz QFBUFVQEYCRCEQ-UHFFFAOYSA-N 0 0 402.490 6.248 40 0 HKABRN O=C(Oc1ccc(OC(=O)c2ccccc2)c(C2CCCCCC2)c1)c1ccccc1 ZINC000001654165 557279126 /nfs/dbraw/zinc/27/91/26/557279126.db2.gz IMKDPTHVNCTVIE-UHFFFAOYSA-N 0 0 414.501 6.563 40 0 HKABRN Clc1ccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c2)cc1 ZINC000001661224 569287943 /nfs/dbraw/zinc/28/79/43/569287943.db2.gz BAJUYIOFBOPJCJ-UHFFFAOYSA-N 0 0 409.743 8.648 40 0 HKABRN O=C(Nc1ccccc1)Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001661305 557279173 /nfs/dbraw/zinc/27/91/73/557279173.db2.gz WOTIYKVHGXYESS-UHFFFAOYSA-N 0 0 401.529 7.278 40 0 HKABRN O=C(CCCCC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000001662212 557279257 /nfs/dbraw/zinc/27/92/57/557279257.db2.gz RBJLRVJENHMBEB-UHFFFAOYSA-N 0 0 424.132 5.838 40 0 HKABRN CC(C)=C[C@H]1[C@@H](C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)C1(C)C ZINC000001664935 569143756 /nfs/dbraw/zinc/14/37/56/569143756.db2.gz RSZXHSOZHNQRLF-YUMQZZPRSA-N 0 0 416.559 7.097 40 0 HKABRN CC(C)=C[C@@H]1[C@@H](C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)C1(C)C ZINC000001664936 569143789 /nfs/dbraw/zinc/14/37/89/569143789.db2.gz RSZXHSOZHNQRLF-SFYZADRCSA-N 0 0 416.559 7.097 40 0 HKABRN CC(C)=C[C@H]1[C@H](C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)C1(C)C ZINC000001664937 569143844 /nfs/dbraw/zinc/14/38/44/569143844.db2.gz RSZXHSOZHNQRLF-JGVFFNPUSA-N 0 0 416.559 7.097 40 0 HKABRN CC(C)=C[C@@H]1[C@H](C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)C1(C)C ZINC000001664938 569143808 /nfs/dbraw/zinc/14/38/08/569143808.db2.gz RSZXHSOZHNQRLF-HTQZYQBOSA-N 0 0 416.559 7.097 40 0 HKABRN O=C(COc1ccc(Cl)cc1Cl)OCCCOc1ccc(Cl)cc1Cl ZINC000001668503 557279505 /nfs/dbraw/zinc/27/95/05/557279505.db2.gz RYDMWDGXQGVATI-UHFFFAOYSA-N 0 0 424.107 5.691 40 0 HKABRN O=C(Nc1cccc2ccccc21)N1CCN(C(=O)Nc2cccc3ccccc32)CC1 ZINC000001668708 557279431 /nfs/dbraw/zinc/27/94/31/557279431.db2.gz QRGGVWIPJMMKIM-UHFFFAOYSA-N 0 0 424.504 5.375 40 0 HKABRN CCN(CC)c1ccc(N[C@H](C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000001668884 557279536 /nfs/dbraw/zinc/27/95/36/557279536.db2.gz LCMAGTCMJABXSA-VWLOTQADSA-N 0 0 418.537 5.586 40 0 HKABRN C=CC(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)C=C)c(Cl)c2)c(Cl)c1 ZINC000001669475 557279830 /nfs/dbraw/zinc/27/98/30/557279830.db2.gz RNYVRRDDPHKDGJ-UHFFFAOYSA-N 0 0 405.277 5.502 40 0 HKABRN CCCN(CCC)C(=O)[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000001670736 557279666 /nfs/dbraw/zinc/27/96/66/557279666.db2.gz NNUJINLVFDXQLW-VWLOTQADSA-N 0 0 401.550 5.355 40 0 HKABRN CNC(=O)Oc1cc(C(C)C)ccc1Sc1ccc(C(C)C)cc1OC(=O)NC ZINC000001671478 557279784 /nfs/dbraw/zinc/27/97/84/557279784.db2.gz KUTLSGIKXCDJQK-UHFFFAOYSA-N 0 0 416.543 5.521 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1)OCCCCOC(=O)/C=C/c1ccc(Cl)cc1 ZINC000001674692 557280100 /nfs/dbraw/zinc/28/01/00/557280100.db2.gz MLOMMZSPHHDEQH-FNCQTZNRSA-N 0 0 419.304 5.587 40 0 HKABRN Brc1c(SCc2ccccc2)ncnc1SCc1ccccc1 ZINC000001674947 557280189 /nfs/dbraw/zinc/28/01/89/557280189.db2.gz KJHDCRDWBIUJRN-UHFFFAOYSA-N 0 0 403.370 5.824 40 0 HKABRN Cc1cc(NNc2cc(Br)cc(Br)c2)cc(C)c1Cl ZINC000001675934 557280086 /nfs/dbraw/zinc/28/00/86/557280086.db2.gz DFPOKJLXMRTHOQ-UHFFFAOYSA-N 0 0 404.533 5.921 40 0 HKABRN Nc1cc(SCc2ccccc2Cl)nc(SCc2ccccc2Cl)n1 ZINC000001676872 569143907 /nfs/dbraw/zinc/14/39/07/569143907.db2.gz NJOXADDIDKCCON-UHFFFAOYSA-N 0 0 408.379 5.950 40 0 HKABRN Nc1nc(SCc2ccccc2)c(-c2ccccc2)c(SCc2ccccc2)n1 ZINC000001677177 557280141 /nfs/dbraw/zinc/28/01/41/557280141.db2.gz DRWBZNMRNIMGAO-UHFFFAOYSA-N 0 0 415.587 6.310 40 0 HKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H](CC(F)(F)F)C(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000001677302 557280204 /nfs/dbraw/zinc/28/02/04/557280204.db2.gz ZSYUPDORWXUGGF-XGRVWBTCSA-N 0 0 414.508 5.708 40 0 HKABRN O=C(O[C@H](c1ccccc1)[C@H](OC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001678119 557280023 /nfs/dbraw/zinc/28/00/23/557280023.db2.gz WCKDRBAZAZDBKR-CLJLJLNGSA-N 0 0 422.480 6.183 40 0 HKABRN O=C(O[C@@H](c1ccccc1)[C@@H](OC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001678120 557280192 /nfs/dbraw/zinc/28/01/92/557280192.db2.gz WCKDRBAZAZDBKR-UIOOFZCWSA-N 0 0 422.480 6.183 40 0 HKABRN Cc1cnc(SCc2ccccc2Cl)nc1SCc1ccccc1Cl ZINC000001678979 557280214 /nfs/dbraw/zinc/28/02/14/557280214.db2.gz ALHRQCLNYQRJKT-UHFFFAOYSA-N 0 0 407.391 6.676 40 0 HKABRN Cc1cnc(SCc2ccc(Cl)cc2)nc1Nc1ccc(Cl)cc1Cl ZINC000001679419 557280202 /nfs/dbraw/zinc/28/02/02/557280202.db2.gz WCKPOKNKTUOYAL-UHFFFAOYSA-N 0 0 410.757 6.781 40 0 HKABRN O=C(NCSc1nc2ccccc2s1)NCSc1nc2ccccc2s1 ZINC000001680415 557280448 /nfs/dbraw/zinc/28/04/48/557280448.db2.gz WYHIYIVTCWNVCW-UHFFFAOYSA-N 0 0 418.594 5.005 40 0 HKABRN O=C1c2cc(Br)ccc2N=C1c1c[nH]c2ccc(Br)cc12 ZINC000001686257 557280785 /nfs/dbraw/zinc/28/07/85/557280785.db2.gz GJUIVHFZEJPUMO-UHFFFAOYSA-N 0 0 404.061 5.010 40 0 HKABRN Cc1c(Cl)cc(C(C)(C)C)c(O)c1Cc1c(C)c(Cl)cc(C(C)(C)C)c1O ZINC000001687248 557280700 /nfs/dbraw/zinc/28/07/00/557280700.db2.gz ZQGZKEMTFYZITH-UHFFFAOYSA-N 0 0 409.397 7.207 40 0 in-vitro HKABRN c1ccc(CSC(SCc2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000001687435 557280757 /nfs/dbraw/zinc/28/07/57/557280757.db2.gz MENTYQIDBMTYNE-UHFFFAOYSA-N 0 0 412.623 7.755 40 0 HKABRN COc1cc(NC(=O)OC(C)C)ccc1-c1ccc(NC(=O)OC(C)C)cc1OC ZINC000001688208 557280789 /nfs/dbraw/zinc/28/07/89/557280789.db2.gz AWYJYSMYEPUXOB-UHFFFAOYSA-N 0 0 416.474 5.285 40 0 HKABRN CN(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1 ZINC000001688789 557280816 /nfs/dbraw/zinc/28/08/16/557280816.db2.gz ARFKDMUECABLBM-UHFFFAOYSA-N 0 0 401.573 7.140 40 0 HKABRN COc1ccc(-c2oc(-c3ccccc3)c(-c3ccccc3)c2Br)cc1 ZINC000001690588 557280762 /nfs/dbraw/zinc/28/07/62/557280762.db2.gz WIDDTCYCMVKLQW-UHFFFAOYSA-N 0 0 405.291 7.052 40 0 HKABRN Clc1ccccc1[C@H](c1ccccc1)[C@@H](c1ccccc1)c1ccccc1Cl ZINC000001690824 557280954 /nfs/dbraw/zinc/28/09/54/557280954.db2.gz MATSURWGMAEFEN-UIOOFZCWSA-N 0 0 403.352 7.957 40 0 HKABRN Clc1ccccc1[C@@H](c1ccccc1)[C@H](c1ccccc1)c1ccccc1Cl ZINC000001690827 557281147 /nfs/dbraw/zinc/28/11/47/557281147.db2.gz MATSURWGMAEFEN-CLJLJLNGSA-N 0 0 403.352 7.957 40 0 HKABRN Cc1ccc2c(c1)[C@]1(c3ccccc3)Oc3ccc(C)cc3[C@](c3ccccc3)(O2)O1 ZINC000001690906 557281027 /nfs/dbraw/zinc/28/10/27/557281027.db2.gz LJBQBMRBBYRXMQ-VSGBNLITSA-N 0 0 406.481 6.207 40 0 HKABRN Cc1ccc2c(c1)[C@@]1(c3ccccc3)Oc3ccc(C)cc3[C@@](c3ccccc3)(O2)O1 ZINC000001690907 557281087 /nfs/dbraw/zinc/28/10/87/557281087.db2.gz LJBQBMRBBYRXMQ-NSOVKSMOSA-N 0 0 406.481 6.207 40 0 HKABRN CC(=O)N(c1ccccc1)c1ccc(-c2ccc(N(C(C)=O)c3ccccc3)cc2)cc1 ZINC000001691759 557280983 /nfs/dbraw/zinc/28/09/83/557280983.db2.gz RMCXRYJLVNNIHW-UHFFFAOYSA-N 0 0 420.512 6.723 40 0 HKABRN CN1C(=O)C(c2ccccc2)(c2ccccc2)C(Br)=C1c1ccccc1 ZINC000001691970 557281035 /nfs/dbraw/zinc/28/10/35/557281035.db2.gz UGPLFSMCWSRALT-UHFFFAOYSA-N 0 0 404.307 5.208 40 0 HKABRN CCOP(=O)(Nc1cc2c(cc1Br)-c1ccccc1C2=O)OCC ZINC000001692037 557281107 /nfs/dbraw/zinc/28/11/07/557281107.db2.gz QHWPEDMDERDLLX-UHFFFAOYSA-N 0 0 410.204 5.254 40 0 HKABRN CC(=O)Nc1c(Cl)cc2c(c1Cl)Cc1c-2cc(Cl)c(NC(C)=O)c1Cl ZINC000001693092 557281151 /nfs/dbraw/zinc/28/11/51/557281151.db2.gz QAHGXFUHGDAAGU-UHFFFAOYSA-N 0 0 418.107 5.788 40 0 HKABRN CCOc1cnn(-c2ccccc2)c(=O)c1SCc1ccc(Cl)c(Cl)c1 ZINC000001693182 569144693 /nfs/dbraw/zinc/14/46/93/569144693.db2.gz KBTMJKPQACLKIV-UHFFFAOYSA-N 0 0 407.322 5.230 40 0 HKABRN O=c1c(SCc2ccc(Cl)cc2)c(N2CCCCC2)cnn1-c1ccccc1 ZINC000001693191 132247459 /nfs/dbraw/zinc/24/74/59/132247459.db2.gz AMTDPCMPXBJWNL-UHFFFAOYSA-N 0 0 411.958 5.169 40 0 HKABRN Cc1ccc(N(CSc2ccc(Cl)cc2)CSc2ccc(Cl)cc2)cc1 ZINC000001693740 557281020 /nfs/dbraw/zinc/28/10/20/557281020.db2.gz FVPONDWGZCSNHX-UHFFFAOYSA-N 0 0 420.430 7.608 40 0 HKABRN CCCC[C@H](c1nc2c(c3c1CCCC3)CCCC2)C(O)(C(F)(F)F)C(F)(F)F ZINC000001697507 557281369 /nfs/dbraw/zinc/28/13/69/557281369.db2.gz PKDWBENDGQEAMH-MRXNPFEDSA-N 0 0 423.441 5.969 40 0 HKABRN O=C(COc1ccc(Cl)cc1Cl)OCCOc1ccc(Cl)cc1Cl ZINC000001699866 557281349 /nfs/dbraw/zinc/28/13/49/557281349.db2.gz WFHNFHBMRYXDHT-UHFFFAOYSA-N 0 0 410.080 5.301 40 0 HKABRN Oc1ccc(C2SC(c3ccc(O)cc3)SC(c3ccc(O)cc3)S2)cc1 ZINC000001701413 557281596 /nfs/dbraw/zinc/28/15/96/557281596.db2.gz DYURQQALJHDBKQ-UHFFFAOYSA-N 0 0 414.573 6.413 40 0 HKABRN CC(=O)Nc1ccc(SC(Sc2ccc(NC(C)=O)cc2)c2ccccc2)cc1 ZINC000001703099 557281658 /nfs/dbraw/zinc/28/16/58/557281658.db2.gz QXERZFWEORAAKI-UHFFFAOYSA-N 0 0 422.575 6.187 40 0 HKABRN O=C(Nc1cccc2ncccc21)c1ccc(C(=O)Nc2cccc3ncccc32)cc1 ZINC000001703249 557281759 /nfs/dbraw/zinc/28/17/59/557281759.db2.gz QHIVYMWCLKPJMZ-UHFFFAOYSA-N 0 0 418.456 5.288 40 0 HKABRN C1=C(c2ccccc2)N=C(c2nccc3ccccc32)C1(c1ccccc1)c1ccccc1 ZINC000001705893 569144863 /nfs/dbraw/zinc/14/48/63/569144863.db2.gz HVUXMQFLQSOOBU-UHFFFAOYSA-N 0 0 422.531 7.065 40 0 HKABRN O=S(=O)(Nc1ccccc1)c1ccccc1C=C(c1ccccc1)c1ccccc1 ZINC000001707713 557282235 /nfs/dbraw/zinc/28/22/35/557282235.db2.gz QNVLZVXBVUCVBX-UHFFFAOYSA-N 0 0 411.526 6.076 40 0 HKABRN CC(C)/C=C(/CC(C)C)[C@@H](CCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000001713118 557282282 /nfs/dbraw/zinc/28/22/82/557282282.db2.gz LQBSZMAAJNMYFL-VKCJIPKCSA-N 0 0 406.570 6.289 40 0 HKABRN CC(C)/C=C(/CC(C)C)[C@H](CCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000001713120 557282142 /nfs/dbraw/zinc/28/21/42/557282142.db2.gz LQBSZMAAJNMYFL-DEZPSGRBSA-N 0 0 406.570 6.289 40 0 HKABRN O=S(=O)(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1 ZINC000001713507 557282310 /nfs/dbraw/zinc/28/23/10/557282310.db2.gz LJCUQLCGWDFTPO-UHFFFAOYSA-N 0 0 406.501 5.721 40 0 HKABRN COc1ccc(C2=C(c3ccccc3)c3ccc(OC(C)=O)cc3OC2(C)C)cc1 ZINC000001713643 557282273 /nfs/dbraw/zinc/28/22/73/557282273.db2.gz JZSJRCBITBJXAM-UHFFFAOYSA-N 0 0 400.474 5.751 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2-c2ccccc2)cc1 ZINC000001713694 557282488 /nfs/dbraw/zinc/28/24/88/557282488.db2.gz PXGGDSFDEAHMNO-UHFFFAOYSA-N 0 0 402.313 5.225 40 0 HKABRN Clc1ccc(CSc2cnnc3c(Br)cccc23)c(Cl)c1 ZINC000001713798 569144982 /nfs/dbraw/zinc/14/49/82/569144982.db2.gz NWDBGKIHWASMOV-UHFFFAOYSA-N 0 0 400.128 5.991 40 0 HKABRN Cn1c(Cc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1Cc1ccccc1 ZINC000001715274 557282513 /nfs/dbraw/zinc/28/25/13/557282513.db2.gz IWSMHEQHUPRYIO-UHFFFAOYSA-N 0 0 413.564 7.541 40 0 HKABRN O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](Nc1ccccc1)c1cccnc1 ZINC000001715333 557282479 /nfs/dbraw/zinc/28/24/79/557282479.db2.gz JBWCVAQQCCCQJE-XMMPIXPASA-N 0 0 416.417 6.543 40 0 HKABRN Oc1cc(CN(Cc2ccccc2)Cc2cc(O)c3ncccc3c2)cc2cccnc12 ZINC000001717594 557282492 /nfs/dbraw/zinc/28/24/92/557282492.db2.gz KPDHEUCSHRLRHP-UHFFFAOYSA-N 0 0 421.500 5.397 40 0 HKABRN CN(C)C(=O)Sc1ccc(-c2c(-c3ccccc3)oc3ccc4ccccc4c32)cc1 ZINC000001718116 557282740 /nfs/dbraw/zinc/28/27/40/557282740.db2.gz IZMRMECKEPCMHA-UHFFFAOYSA-N 0 0 423.537 7.694 40 0 HKABRN CN(C)C(=S)Oc1ccc(-c2c(-c3ccccc3)oc3ccc4ccccc4c32)cc1 ZINC000001718117 557282743 /nfs/dbraw/zinc/28/27/43/557282743.db2.gz SRZQITXIVYKBIA-UHFFFAOYSA-N 0 0 423.537 7.145 40 0 HKABRN CCOC(=O)[C@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)c1nccc2ccccc21 ZINC000001718218 569145006 /nfs/dbraw/zinc/14/50/06/569145006.db2.gz BBWZQZGGDBQMEA-RPWUZVMVSA-N 0 0 409.485 5.429 40 0 HKABRN CCOC(=O)[C@@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)c1nccc2ccccc21 ZINC000001718219 569144941 /nfs/dbraw/zinc/14/49/41/569144941.db2.gz BBWZQZGGDBQMEA-DNQXCXABSA-N 0 0 409.485 5.429 40 0 HKABRN CCOC(=O)[C@H](C(=O)c1ccccc1)[C@H](c1ccccc1)c1nccc2ccccc21 ZINC000001718220 569144960 /nfs/dbraw/zinc/14/49/60/569144960.db2.gz BBWZQZGGDBQMEA-ZEQRLZLVSA-N 0 0 409.485 5.429 40 0 HKABRN CCOC(=O)[C@@H](C(=O)c1ccccc1)[C@H](c1ccccc1)c1nccc2ccccc21 ZINC000001718221 569144980 /nfs/dbraw/zinc/14/49/80/569144980.db2.gz BBWZQZGGDBQMEA-BJKOFHAPSA-N 0 0 409.485 5.429 40 0 HKABRN c1ccc(-c2oc(-c3ccccc3)c3c2[C@@H](c2ccccc2)C=C[C@@H]3c2ccccc2)cc1 ZINC000001718662 557282774 /nfs/dbraw/zinc/28/27/74/557282774.db2.gz LPPKTYKSMWNKPR-VSGBNLITSA-N 0 0 424.543 8.447 40 0 HKABRN c1ccc(-c2oc(-c3ccccc3)c3c2[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000001718663 557282713 /nfs/dbraw/zinc/28/27/13/557282713.db2.gz LPPKTYKSMWNKPR-NSOVKSMOSA-N 0 0 424.543 8.447 40 0 HKABRN Cc1c(C)c(Br)c(Br)c(Br)c1Br ZINC000001718702 557282762 /nfs/dbraw/zinc/28/27/62/557282762.db2.gz WVJRAJZMOVQFEC-UHFFFAOYSA-N 0 0 421.752 5.353 40 0 HKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000001718881 557282731 /nfs/dbraw/zinc/28/27/31/557282731.db2.gz LOKATTXGDDYDJB-UHFFFAOYSA-N 0 0 424.500 6.489 40 0 HKABRN O=C(CC[C@H](C(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1)c1ccccc1 ZINC000001719285 557282777 /nfs/dbraw/zinc/28/27/77/557282777.db2.gz RCNHKLMWQAUFDP-MHZLTWQESA-N 0 0 404.509 6.983 40 0 HKABRN c1ccc(CN2COc3c(c4ccccc4c4c3OCN(Cc3ccccc3)C4)C2)cc1 ZINC000001719314 557282734 /nfs/dbraw/zinc/28/27/34/557282734.db2.gz JGDZJFMAWQTHED-UHFFFAOYSA-N 0 0 422.528 5.544 40 0 HKABRN c1ccc2c(c1)c1c(c3c2CN(C2CCCCC2)CO3)OCN(C2CCCCC2)C1 ZINC000001719315 557282782 /nfs/dbraw/zinc/28/27/82/557282782.db2.gz JCLIEBYLAUQEAC-UHFFFAOYSA-N 0 0 406.570 5.809 40 0 HKABRN CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)=C2CC=CC[C@@H]2C(C)C)cc1 ZINC000001719867 569144990 /nfs/dbraw/zinc/14/49/90/569144990.db2.gz QDPGBHOCBUJKDJ-XMMPIXPASA-N 0 0 404.506 5.961 40 0 HKABRN Clc1ccc(-c2c(-c3ccccc3)c(Cc3ccccc3)nn2-c2ccccc2)cc1 ZINC000001719999 557282700 /nfs/dbraw/zinc/28/27/00/557282700.db2.gz QSPDBEJYYVXLTI-UHFFFAOYSA-N 0 0 420.943 7.451 40 0 HKABRN COc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000001720005 557282693 /nfs/dbraw/zinc/28/26/93/557282693.db2.gz GYUFOVHIHAVGFL-UHFFFAOYSA-N 0 0 402.497 6.882 40 0 HKABRN Fc1ccc(C(=C(c2ccc(F)cc2)c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000001720048 557282722 /nfs/dbraw/zinc/28/27/22/557282722.db2.gz LXTWRLICBHFDFV-UHFFFAOYSA-N 0 0 404.406 7.250 40 0 HKABRN O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1 ZINC000001722454 557282974 /nfs/dbraw/zinc/28/29/74/557282974.db2.gz WCTIPYXJFUKGBD-HPQIJTKRSA-N 0 0 416.520 6.566 40 0 HKABRN CCOP(=O)(OCC)[C@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2Cl ZINC000001722497 557282967 /nfs/dbraw/zinc/28/29/67/557282967.db2.gz JSXBCLWZOIKJMN-KRWDZBQOSA-N 0 0 405.645 6.983 40 0 HKABRN Clc1ccc2c(c1)/C(=C/c1ccnc3ccccc13)c1cc(Cl)cc(Cl)c1-2 ZINC000001722525 557283032 /nfs/dbraw/zinc/28/30/32/557283032.db2.gz AJRYLVHLRKBMCU-NVMNQCDNSA-N 0 0 408.715 7.764 40 0 HKABRN Clc1ccccc1NN(c1ccccc1Cl)C(c1ccccc1)c1ccccc1 ZINC000001723173 569144940 /nfs/dbraw/zinc/14/49/40/569144940.db2.gz PWPDXFILXCJNSV-UHFFFAOYSA-N 0 0 419.355 7.617 40 0 HKABRN O=S(=O)(Cc1ccccc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001723197 569144959 /nfs/dbraw/zinc/14/49/59/569144959.db2.gz GELCKJMFSAGHOF-UHFFFAOYSA-N 0 0 410.538 6.218 40 0 HKABRN O=S(=O)(c1ccccc1)C(Cc1ccccc1)(Cc1ccccc1)c1ccccc1 ZINC000001723210 569144973 /nfs/dbraw/zinc/14/49/73/569144973.db2.gz HTUMGVKVDVFUGR-UHFFFAOYSA-N 0 0 412.554 5.841 40 0 HKABRN Clc1ccc2c(c1)/C(=C\c1ccc3c(c1)OCO3)c1cc(Cl)cc(Cl)c1-2 ZINC000001723749 557282996 /nfs/dbraw/zinc/28/29/96/557282996.db2.gz DEGJGKZVZHVANT-PJQLUOCWSA-N 0 0 401.676 6.945 40 0 HKABRN Clc1ccc2c(c1)/C(=C/c1ccc3c(c1)OCO3)c1cc(Cl)cc(Cl)c1-2 ZINC000001723750 557283015 /nfs/dbraw/zinc/28/30/15/557283015.db2.gz DEGJGKZVZHVANT-WCSRMQSCSA-N 0 0 401.676 6.945 40 0 HKABRN Cc1ccc(C[C@](O)(CC(O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1C ZINC000001723837 557283010 /nfs/dbraw/zinc/28/30/10/557283010.db2.gz CIEXEEJFTYKRAH-LJAQVGFWSA-N 0 0 422.568 6.060 40 0 HKABRN CCCCCSc1c(Cl)c(Cl)c(SCCCCC)c(Cl)c1Cl ZINC000001724602 557283069 /nfs/dbraw/zinc/28/30/69/557283069.db2.gz QTOXQLTVZTZLDO-UHFFFAOYSA-N 0 0 420.298 8.865 40 0 HKABRN O=C(c1ccccc1)c1ccc(OCCOc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000001724605 559193923 /nfs/dbraw/zinc/19/39/23/559193923.db2.gz KVVQXUIGQZPWLT-UHFFFAOYSA-N 0 0 422.480 5.606 40 0 HKABRN O=c1sc2ccccc2n1CCSCCn1c2ccccc2sc1=S ZINC000001725275 557283050 /nfs/dbraw/zinc/28/30/50/557283050.db2.gz GHTAQMSLLDZQKF-UHFFFAOYSA-N 0 0 404.607 5.242 40 0 HKABRN Clc1ccc(C(=Cc2ccccc2Br)c2ccc(Cl)cc2)cc1 ZINC000001727372 557283232 /nfs/dbraw/zinc/28/32/32/557283232.db2.gz YCJGUOZFYFELOV-UHFFFAOYSA-N 0 0 404.134 7.345 40 0 HKABRN CCN(CC)C(=S)SCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001732082 557283567 /nfs/dbraw/zinc/28/35/67/557283567.db2.gz RXWYJHHCBQSEGM-UHFFFAOYSA-N 0 0 411.634 6.814 40 0 HKABRN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1Br ZINC000001732170 557283559 /nfs/dbraw/zinc/28/35/59/557283559.db2.gz AHVBKDPGQVXFIC-UHFFFAOYSA-N 0 0 409.494 5.427 40 0 HKABRN O=C(COc1cc(Cl)c(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl ZINC000001732184 557283561 /nfs/dbraw/zinc/28/35/61/557283561.db2.gz XLQREMHXWZKWKQ-UHFFFAOYSA-N 0 0 400.472 5.938 40 0 HKABRN O=C(Oc1ccc(O)cc1)N(c1cccc2ccccc21)c1cccc2ccccc21 ZINC000001732212 557283557 /nfs/dbraw/zinc/28/35/57/557283557.db2.gz XRCMRGUUYUGXTF-UHFFFAOYSA-N 0 0 405.453 7.036 40 0 HKABRN CC1(C)[C@@H]2C[C@@]1(CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl)CCC2 ZINC000001732242 557283477 /nfs/dbraw/zinc/28/34/77/557283477.db2.gz UEYXQFUTFAEKDZ-BUXKBTBVSA-N 0 0 405.749 6.175 40 0 HKABRN CC1(C)[C@H]2C[C@]1(CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl)CCC2 ZINC000001732243 557283549 /nfs/dbraw/zinc/28/35/49/557283549.db2.gz UEYXQFUTFAEKDZ-CWTRNNRKSA-N 0 0 405.749 6.175 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)SCCSC(=O)Nc1ccc(Cl)cc1 ZINC000001732731 557283454 /nfs/dbraw/zinc/28/34/54/557283454.db2.gz ZRAJZHKRYXXKGE-UHFFFAOYSA-N 0 0 401.340 6.224 40 0 HKABRN CC(C)N(C(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(C)C ZINC000001732734 557283542 /nfs/dbraw/zinc/28/35/42/557283542.db2.gz GFKAVQDPUZUORB-UHFFFAOYSA-N 0 0 423.620 6.691 40 0 HKABRN O=C(Nc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1Br ZINC000001733044 557283562 /nfs/dbraw/zinc/28/35/62/557283562.db2.gz WFDMZHGRRQVSDX-UHFFFAOYSA-N 0 0 423.919 5.771 40 0 HKABRN O=C(CSc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl ZINC000001733056 557283532 /nfs/dbraw/zinc/28/35/32/557283532.db2.gz OEFVNARNECFCIF-UHFFFAOYSA-N 0 0 415.556 6.684 40 0 HKABRN Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000001735397 557283519 /nfs/dbraw/zinc/28/35/19/557283519.db2.gz SXOOYTUJLLTENR-OCCSQVGLSA-N 0 0 419.978 5.123 40 0 HKABRN Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)N[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000001735398 557283503 /nfs/dbraw/zinc/28/35/03/557283503.db2.gz SXOOYTUJLLTENR-TZMCWYRMSA-N 0 0 419.978 5.123 40 0 HKABRN COc1ccc(Nc2ccc3c4c2cccc4C(=O)N(c2ccc(OC)cc2)C3=O)cc1 ZINC000001735552 132247598 /nfs/dbraw/zinc/24/75/98/132247598.db2.gz VBSOYFXFOFPNEN-UHFFFAOYSA-N 0 0 424.456 5.401 40 0 HKABRN c1ccc([C@]2([C@@]3(c4ccccc4)Nc4ccccc4S3)Nc3ccccc3S2)cc1 ZINC000001736556 557283560 /nfs/dbraw/zinc/28/35/60/557283560.db2.gz QIIPXKDIYLWCQE-UIOOFZCWSA-N 0 0 424.594 7.128 40 0 HKABRN c1ccc([C@@]2([C@]3(c4ccccc4)Nc4ccccc4S3)Nc3ccccc3S2)cc1 ZINC000001736558 557283707 /nfs/dbraw/zinc/28/37/07/557283707.db2.gz QIIPXKDIYLWCQE-CLJLJLNGSA-N 0 0 424.594 7.128 40 0 HKABRN CC(C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001737125 557283775 /nfs/dbraw/zinc/28/37/75/557283775.db2.gz YYQKVOHHNIZZRC-UHFFFAOYSA-N 0 0 406.096 5.514 40 0 HKABRN CCOP(=O)(OCC)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001737565 557283752 /nfs/dbraw/zinc/28/37/52/557283752.db2.gz IWRBUCYIOFOURU-UHFFFAOYSA-N 0 0 402.425 6.514 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)N(Cc1ccccc1)c1ccccc1 ZINC000001738326 557283764 /nfs/dbraw/zinc/28/37/64/557283764.db2.gz MFTJQHBHVMCXIS-UHFFFAOYSA-N 0 0 404.819 6.598 40 0 HKABRN Cc1cccc(Cl)c1NC(=O)c1ccc(C(=O)Nc2c(C)cccc2Cl)cc1 ZINC000001738746 557283727 /nfs/dbraw/zinc/28/37/27/557283727.db2.gz JNALQSKSTZKCNL-UHFFFAOYSA-N 0 0 413.304 6.115 40 0 HKABRN Cc1cccc(Cl)c1NC(=O)c1cccc(C(=O)Nc2c(C)cccc2Cl)c1 ZINC000001738757 557283733 /nfs/dbraw/zinc/28/37/33/557283733.db2.gz RJTGQAGDXXJOTE-UHFFFAOYSA-N 0 0 413.304 6.115 40 0 HKABRN O=C(Nc1ccc(Br)cc1)Oc1ccccc1C(=O)Nc1ccccc1 ZINC000001739431 557283700 /nfs/dbraw/zinc/28/37/00/557283700.db2.gz NKVQOVDAOKLJBM-UHFFFAOYSA-N 0 0 411.255 5.312 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)Oc1ccc(Br)cc1Br ZINC000001739637 557283739 /nfs/dbraw/zinc/28/37/39/557283739.db2.gz OKJBPOQRCYLRKA-UHFFFAOYSA-N 0 0 405.473 5.476 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)Nc2ccc(SC)cc2)cc1N(CC)CC ZINC000001741766 557284084 /nfs/dbraw/zinc/28/40/84/557284084.db2.gz PDIKWEDUIQSNND-UHFFFAOYSA-N 0 0 401.532 5.075 40 0 HKABRN Cc1cc(C)c(-c2c(O)c(Br)c(C)c(O)c2Br)c(C)c1 ZINC000001743268 557284348 /nfs/dbraw/zinc/28/43/48/557284348.db2.gz QPKOFUUQBMNCJL-UHFFFAOYSA-N 0 0 400.110 5.523 40 0 HKABRN CCOC(=O)Oc1ccc(C(=O)Oc2cc(Cl)c(Cl)cc2Cl)cc1OC ZINC000001747316 557284572 /nfs/dbraw/zinc/28/45/72/557284572.db2.gz WSWSLXPWTLFIFP-UHFFFAOYSA-N 0 0 419.644 5.410 40 0 HKABRN CCCCCCOc1ccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000001747971 568930322 /nfs/dbraw/zinc/93/03/22/568930322.db2.gz JMPRYYKXBDKFMW-ACCUITESSA-N 0 0 421.459 6.325 40 0 HKABRN CCc1ccc(NC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000001748153 568930307 /nfs/dbraw/zinc/93/03/07/568930307.db2.gz NAAMCUGVMWENAU-OQLLNIDSSA-N 0 0 421.924 6.142 40 0 HKABRN O=C(Nc1ccccc1C(F)(F)F)N(C[C@@H](O)c1ccccc1)C1CCCCC1 ZINC000001753322 557285050 /nfs/dbraw/zinc/28/50/50/557285050.db2.gz ZZFFYFYQJHDPOZ-HXUWFJFHSA-N 0 0 406.448 5.606 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)Oc1ccc(OCc2ccccc2)cc1 ZINC000001754090 557285025 /nfs/dbraw/zinc/28/50/25/557285025.db2.gz UDONLKQZLQMOFS-UHFFFAOYSA-N 0 0 421.802 6.549 40 0 HKABRN CN(C)C(=O)Nc1cccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)c1 ZINC000001757470 557285064 /nfs/dbraw/zinc/28/50/64/557285064.db2.gz XSWFKKUCOCGKNE-UHFFFAOYSA-N 0 0 412.382 5.425 40 0 HKABRN Brc1ccc(-c2cs/c(=N/Cc3ccccc3)n2-c2ccccc2)cc1 ZINC000001760961 569052124 /nfs/dbraw/zinc/05/21/24/569052124.db2.gz UNYZTOJVGPVUKY-ZNTNEXAZSA-N 0 0 421.363 6.069 40 0 HKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)c1ccccc1 ZINC000001764048 557285404 /nfs/dbraw/zinc/28/54/04/557285404.db2.gz SONUGXZUCZDYNQ-UHFFFAOYSA-N 0 0 400.261 5.242 40 0 HKABRN COc1c2c(cc3c1[C@@H]1Oc4c(ccc(O)c4CC=C(C)C)[C@H]1CO3)OC(C)(C)C=C2 ZINC000001768124 557285660 /nfs/dbraw/zinc/28/56/60/557285660.db2.gz FUNJPZFUOULIEZ-IQGLISFBSA-N 0 0 420.505 5.703 40 0 HKABRN COc1c2c(cc3c1[C@@H]1Oc4c(ccc(O)c4CC=C(C)C)[C@@H]1CO3)OC(C)(C)C=C2 ZINC000001768127 569049675 /nfs/dbraw/zinc/04/96/75/569049675.db2.gz FUNJPZFUOULIEZ-AVRWGWEMSA-N 0 0 420.505 5.703 40 0 HKABRN COc1c2c(cc3c1[C@H]1Oc4c(ccc(O)c4CC=C(C)C)[C@H]1CO3)OC(C)(C)C=C2 ZINC000001768130 557285574 /nfs/dbraw/zinc/28/55/74/557285574.db2.gz FUNJPZFUOULIEZ-CJAUYULYSA-N 0 0 420.505 5.703 40 0 HKABRN COc1c2c(cc3c1[C@H]1Oc4c(ccc(O)c4CC=C(C)C)[C@@H]1CO3)OC(C)(C)C=C2 ZINC000001768131 557285615 /nfs/dbraw/zinc/28/56/15/557285615.db2.gz FUNJPZFUOULIEZ-BVZFJXPGSA-N 0 0 420.505 5.703 40 0 HKABRN COc1cc(/C=C/C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1 ZINC000001768531 568930292 /nfs/dbraw/zinc/93/02/92/568930292.db2.gz MOTAVUMYSXADEJ-GXDHUFHOSA-N 0 0 421.924 6.196 40 0 HKABRN COc1cc(/C=C/C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC000001768553 557285684 /nfs/dbraw/zinc/28/56/84/557285684.db2.gz 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CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)cc4)c3)nc2c1 ZINC000001862080 557292652 /nfs/dbraw/zinc/29/26/52/557292652.db2.gz MWIJZNJUSHXIMJ-MRXNPFEDSA-N 0 0 418.924 7.222 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)cc4)c3)nc2c1 ZINC000001862082 557292744 /nfs/dbraw/zinc/29/27/44/557292744.db2.gz MWIJZNJUSHXIMJ-INIZCTEOSA-N 0 0 418.924 7.222 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000001862091 557292685 /nfs/dbraw/zinc/29/26/85/557292685.db2.gz DGISEZAUASIXAA-RMKNXTFCSA-N 0 0 412.272 6.553 40 0 HKABRN Cc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c(C)c1 ZINC000001862686 557292749 /nfs/dbraw/zinc/29/27/49/557292749.db2.gz LJKAWNVKMUKNHP-UHFFFAOYSA-N 0 0 411.288 6.671 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)c(C)c1 ZINC000001862946 557292680 /nfs/dbraw/zinc/29/26/80/557292680.db2.gz ZJFFOFAITQXVIM-UHFFFAOYSA-N 0 0 418.496 7.031 40 0 HKABRN CCc1cc(I)ccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000001863076 557292947 /nfs/dbraw/zinc/29/29/47/557292947.db2.gz DBASRYONCKFILM-UHFFFAOYSA-N 0 0 407.295 5.403 40 0 HKABRN CCc1cc(I)ccc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000001864013 557292996 /nfs/dbraw/zinc/29/29/96/557292996.db2.gz HOQDPOPVYFQGFW-BJMVGYQFSA-N 0 0 411.670 5.159 40 0 HKABRN CCc1cc(I)ccc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000001864256 557293004 /nfs/dbraw/zinc/29/30/04/557293004.db2.gz PGCVBEFPBATLAY-KPKJPENVSA-N 0 0 419.306 5.629 40 0 HKABRN CN(C1c2ccccc2Oc2ccccc21)S(=O)(=O)c1ccc2ccccc2c1 ZINC000001865348 557292980 /nfs/dbraw/zinc/29/29/80/557292980.db2.gz ZNUFADMZOLBMGM-UHFFFAOYSA-N 0 0 401.487 5.356 40 0 HKABRN CN(C1c2ccccc2Oc2ccccc21)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000001865399 557292938 /nfs/dbraw/zinc/29/29/38/557292938.db2.gz KTTHTUAIQDCNJC-UHFFFAOYSA-N 0 0 420.317 5.509 40 0 HKABRN O=S(=O)(NC1c2ccccc2Oc2ccccc21)c1cc(Cl)ccc1Cl ZINC000001865463 557292964 /nfs/dbraw/zinc/29/29/64/557292964.db2.gz GRIDKXXSPQEGLN-UHFFFAOYSA-N 0 0 406.290 5.167 40 0 HKABRN O=S(=O)(NC1c2ccccc2Oc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000001865465 557292954 /nfs/dbraw/zinc/29/29/54/557292954.db2.gz DMLLNJOGPHIWSG-UHFFFAOYSA-N 0 0 406.290 5.167 40 0 HKABRN CN(C1c2ccccc2Oc2ccccc21)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000001865470 557292898 /nfs/dbraw/zinc/29/28/98/557292898.db2.gz ZXDIFDGGRJZBBV-UHFFFAOYSA-N 0 0 420.317 5.509 40 0 HKABRN COc1ccc(C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 ZINC000001867076 557293246 /nfs/dbraw/zinc/29/32/46/557293246.db2.gz TXONTFRBXOCPBF-UHFFFAOYSA-N 0 0 400.472 6.181 40 0 HKABRN CCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2c1ccc(OC(C)=O)c2COC(C)=O ZINC000001867655 557293262 /nfs/dbraw/zinc/29/32/62/557293262.db2.gz KHVACRWDPPJMQC-UHFFFAOYSA-N 0 0 424.493 5.175 40 0 in-vitro HKABRN Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c(C)c1 ZINC000001868239 557293304 /nfs/dbraw/zinc/29/33/04/557293304.db2.gz DYVXXXULRAHWIH-UHFFFAOYSA-N 0 0 421.294 6.126 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c(C)c1 ZINC000001868563 557293219 /nfs/dbraw/zinc/29/32/19/557293219.db2.gz BJBBJRXUMNLSNZ-UHFFFAOYSA-N 0 0 411.288 6.671 40 0 HKABRN CCOC(=O)C(Cc1ccccc1Cl)(Cc1ccccc1Cl)c1ccccc1 ZINC000001870216 557293172 /nfs/dbraw/zinc/29/31/72/557293172.db2.gz YHHCTQVMKSQNLK-UHFFFAOYSA-N 0 0 413.344 6.280 40 0 HKABRN Nc1ccc(P(=O)(Nc2ccc3ccccc3c2)Nc2ccc3ccccc3c2)cc1 ZINC000001870324 557293344 /nfs/dbraw/zinc/29/33/44/557293344.db2.gz QDYSETPCOYWIRH-UHFFFAOYSA-N 0 0 423.456 6.618 40 0 HKABRN O=C(c1ccc(Br)cc1)c1ccccc1Cc1cccc2ccccc21 ZINC000001870704 557293258 /nfs/dbraw/zinc/29/32/58/557293258.db2.gz ISRMIKDNYZEPGN-UHFFFAOYSA-N 0 0 401.303 6.424 40 0 HKABRN CN(C)c1ccc(C(Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)cc1 ZINC000001873699 557293598 /nfs/dbraw/zinc/29/35/98/557293598.db2.gz GLMXUQDALJFHPN-UHFFFAOYSA-N 0 0 417.556 6.418 40 0 HKABRN CCN(CC)c1ccc2c(c1)OC(=O)[C@@H]1[C@@H](c3ccccc3)[C@@H](/C=C/c3ccccc3)[C@H]21 ZINC000001878294 557293540 /nfs/dbraw/zinc/29/35/40/557293540.db2.gz RKLFVJNLWODOCW-FOLKFUMCSA-N 0 0 423.556 6.279 40 0 HKABRN Cc1ccc(OCC(=O)N(C2CCCCC2)C2CCCCC2)c(Br)c1 ZINC000001891932 557294639 /nfs/dbraw/zinc/29/46/39/557294639.db2.gz ZPUQJRQUCNCXFK-UHFFFAOYSA-N 0 0 408.380 5.630 40 0 HKABRN CCOC(=O)c1c(NC(=O)CCCOc2ccccc2)sc(C)c1-c1ccccc1 ZINC000001903797 568930896 /nfs/dbraw/zinc/93/08/96/568930896.db2.gz WBXRGTBUQFAZEL-UHFFFAOYSA-N 0 0 423.534 5.698 40 0 HKABRN COc1ccc(OCCCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000001903913 568930839 /nfs/dbraw/zinc/93/08/39/568930839.db2.gz NSKFDLNEGYRXGD-UHFFFAOYSA-N 0 0 402.903 5.270 40 0 HKABRN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCC2 ZINC000001903995 560730029 /nfs/dbraw/zinc/73/00/29/560730029.db2.gz ZRKIFZVLMYZONI-VQHVLOKHSA-N 0 0 410.322 5.372 40 0 HKABRN CCCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1OC ZINC000001904288 568930995 /nfs/dbraw/zinc/93/09/95/568930995.db2.gz DLZYOAQCWDIEOE-DHZHZOJOSA-N 0 0 422.550 5.876 40 0 HKABRN COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC ZINC000001904350 560730019 /nfs/dbraw/zinc/73/00/19/560730019.db2.gz VPJRHWHYCRCOAL-UKTHLTGXSA-N 0 0 421.880 5.240 40 0 HKABRN CCOc1ccc(/C=C/C(=O)Oc2ccc(OCc3ccccc3)cc2)cc1OCC ZINC000001904558 569057763 /nfs/dbraw/zinc/05/77/63/569057763.db2.gz RGPGRWJMNVSBIP-GZTJUZNOSA-N 0 0 418.489 5.682 40 0 HKABRN CCCCC1CCC(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000001904586 568930983 /nfs/dbraw/zinc/93/09/83/568930983.db2.gz JXZNMWYGFCNAQJ-UHFFFAOYSA-N 0 0 421.404 6.508 40 0 HKABRN COC(=O)c1c2c(sc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)CCCC2 ZINC000001909656 560730024 /nfs/dbraw/zinc/73/00/24/560730024.db2.gz URBGPJVSTJKHLM-AWEZNQCLSA-N 0 0 415.555 5.117 40 0 HKABRN COC(=O)c1c2c(sc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)CCCC2 ZINC000001909659 560730022 /nfs/dbraw/zinc/73/00/22/560730022.db2.gz URBGPJVSTJKHLM-CQSZACIVSA-N 0 0 415.555 5.117 40 0 HKABRN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(C)c(C)c1 ZINC000001911811 569059207 /nfs/dbraw/zinc/05/92/07/569059207.db2.gz UJVCJTAXGKMFGU-UHFFFAOYSA-N 0 0 413.926 6.114 40 0 HKABRN COc1ccc(-c2c/c(=N\c3ccc(OC(C)C)cc3)c3cc(O)ccc3o2)cc1 ZINC000001912093 557296313 /nfs/dbraw/zinc/29/63/13/557296313.db2.gz RJGXOCMHLPTFMN-WNAAXNPUSA-N 0 0 401.462 5.834 40 0 HKABRN CCOC(=O)c1cnc2c(cccc2C(F)(F)F)c1N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000001912390 569322030 /nfs/dbraw/zinc/32/20/30/569322030.db2.gz POAQKNWWPAFEHI-FPTDNZKUSA-N 0 0 420.475 5.835 40 0 HKABRN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1cccc(CC)c1 ZINC000001912833 569059241 /nfs/dbraw/zinc/05/92/41/569059241.db2.gz FHLVONKDMOPRSE-UHFFFAOYSA-N 0 0 409.507 5.172 40 0 HKABRN CCOc1ccc(-c2csc(NC(=O)CCCOc3ccc(C)cc3C)n2)cc1 ZINC000001914066 569059264 /nfs/dbraw/zinc/05/92/64/569059264.db2.gz CUCIDEJWXXMPEJ-UHFFFAOYSA-N 0 0 410.539 5.623 40 0 HKABRN Cc1ccc(OCCCC(=O)Nc2ccc(I)cc2C)c(C)c1 ZINC000001914081 560558678 /nfs/dbraw/zinc/55/86/78/560558678.db2.gz RYNQQBAGBRWWPK-UHFFFAOYSA-N 0 0 423.294 5.014 40 0 HKABRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)c(C)c(C)c2O1 ZINC000001916006 560185251 /nfs/dbraw/zinc/18/52/51/560185251.db2.gz OTXNTMVVOOBZCV-UXRPBPJUSA-N 0 0 410.642 8.292 40 0 in-vitro HKABRN Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(C(C)(C)C)c1 ZINC000001916369 569059364 /nfs/dbraw/zinc/05/93/64/569059364.db2.gz CVACAWGGMCFXQR-UHFFFAOYSA-N 0 0 414.958 6.087 40 0 HKABRN O=C(COc1ccc(-c2ccccc2)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000001916410 569059352 /nfs/dbraw/zinc/05/93/52/569059352.db2.gz VQHYKWRDJASTTL-UHFFFAOYSA-N 0 0 420.921 6.148 40 0 HKABRN Cc1ccc(OCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(C)c1 ZINC000001916442 569059356 /nfs/dbraw/zinc/05/93/56/569059356.db2.gz SBORISUVHSOMCW-UHFFFAOYSA-N 0 0 414.530 6.111 40 0 HKABRN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COc1ccc(C)cc1C ZINC000001916445 569059359 /nfs/dbraw/zinc/05/93/59/569059359.db2.gz BAVUNUXJFOTFGS-UHFFFAOYSA-N 0 0 423.534 5.535 40 0 HKABRN Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)COc1ccccc1C(C)(C)C ZINC000001916535 569059306 /nfs/dbraw/zinc/05/93/06/569059306.db2.gz YLNQLSVOPOWOBS-UHFFFAOYSA-N 0 0 402.490 5.508 40 0 HKABRN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1cc(C)cc(C)c1 ZINC000001924945 569059718 /nfs/dbraw/zinc/05/97/18/569059718.db2.gz QSOFEADUVKPEGN-UHFFFAOYSA-N 0 0 409.507 5.226 40 0 HKABRN COc1ccc(-c2c/c(=N/c3cc(OC)ccc3OC)c3cc(C)ccc3o2)cc1 ZINC000001927727 560583988 /nfs/dbraw/zinc/58/39/88/560583988.db2.gz DPLGUVYXXRYVER-QLYXXIJNSA-N 0 0 401.462 5.666 40 0 HKABRN Cc1ccc(-c2csc3ncnc(SCC(=O)c4ccc(Cl)cc4)c23)cc1 ZINC000001935760 557297014 /nfs/dbraw/zinc/29/70/14/557297014.db2.gz ISPIIKMLZHMOHP-UHFFFAOYSA-N 0 0 410.951 6.295 40 0 HKABRN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)OC1CCCCC1 ZINC000001935815 560583957 /nfs/dbraw/zinc/58/39/57/560583957.db2.gz HEQCJVPSBHORAI-UHFFFAOYSA-N 0 0 418.971 5.980 40 0 HKABRN Cc1cccc(NC(=O)CSc2ncnc3scc(-c4ccc(F)cc4)c32)c1C ZINC000001942606 560583960 /nfs/dbraw/zinc/58/39/60/560583960.db2.gz VOSBDFMRRIFLIR-UHFFFAOYSA-N 0 0 423.538 5.845 40 0 HKABRN CCOC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2)sc(C)c1-c1ccccc1 ZINC000001944149 568841176 /nfs/dbraw/zinc/84/11/76/568841176.db2.gz NQHWLSNPKPJRNO-UHFFFAOYSA-N 0 0 423.534 5.535 40 0 HKABRN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COc1cc(C)cc(C)c1 ZINC000001944151 568841059 /nfs/dbraw/zinc/84/10/59/568841059.db2.gz PUWVLBFXLSNIIE-UHFFFAOYSA-N 0 0 423.534 5.535 40 0 HKABRN COC(=O)c1c(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)sc2c1CCCC2 ZINC000001956803 560729943 /nfs/dbraw/zinc/72/99/43/560729943.db2.gz RLOTWIKZOGGULA-ZDUSSCGKSA-N 0 0 421.946 5.090 40 0 HKABRN COC(=O)c1c(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)sc2c1CCCC2 ZINC000001956805 560729959 /nfs/dbraw/zinc/72/99/59/560729959.db2.gz RLOTWIKZOGGULA-CYBMUJFWSA-N 0 0 421.946 5.090 40 0 HKABRN O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC000001960799 569023949 /nfs/dbraw/zinc/02/39/49/569023949.db2.gz ODPJQNUGSIDDTB-UHFFFAOYSA-N 0 0 416.260 5.581 40 0 HKABRN COC(=O)c1c(NC(=O)COc2ccccc2C(C)C)sc(C)c1-c1ccccc1 ZINC000001979821 569060056 /nfs/dbraw/zinc/06/00/56/569060056.db2.gz HZUJBEUGMBXJMT-UHFFFAOYSA-N 0 0 423.534 5.651 40 0 HKABRN CCCCCCC(C)(C)c1cc(OC)c([C@@H]2C=C(CO)[C@H]3C[C@@H]2C3(C)C)c(OC)c1 ZINC000002008249 557299067 /nfs/dbraw/zinc/29/90/67/557299067.db2.gz CFMRIVODIXTERW-VSKRKVRLSA-N 0 0 414.630 6.630 40 0 in-vitro HKABRN CC(C)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1C(C)C ZINC000002012050 557299118 /nfs/dbraw/zinc/29/91/18/557299118.db2.gz RMNODSGCFHVNDC-UHFFFAOYSA-N 0 0 410.450 7.578 40 0 in-vitro HKABRN O=C(Oc1ccc2cc(Br)ccc2c1Br)c1ccccc1 ZINC000002023240 560559019 /nfs/dbraw/zinc/55/90/19/560559019.db2.gz JREDTTLGZGNCSO-UHFFFAOYSA-N 0 0 406.073 5.584 40 0 HKABRN Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)Nc5cc(Cl)cc(Cl)c5)(C4)C2)C3)cc1 ZINC000002026054 557299456 /nfs/dbraw/zinc/29/94/56/557299456.db2.gz SHNWDDWANUDFGT-UPFYTXMWSA-N 0 0 414.376 6.779 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(C34C[C@@H]5C[C@@H](CC(c6ccccc6)(C5)C3)C4)cc2)cc1 ZINC000002027461 569322035 /nfs/dbraw/zinc/32/20/35/569322035.db2.gz IJOONULBHPPHJA-KUKIJGICSA-N 0 0 421.584 7.037 40 0 HKABRN O=C(Nc1ccccc1)Nc1ccc(C23C[C@@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1 ZINC000002027465 557299764 /nfs/dbraw/zinc/29/97/64/557299764.db2.gz QHORTOYRZQOWJR-YIOSKMQZSA-N 0 0 422.572 7.120 40 0 HKABRN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-c2ccccc2)cc1 ZINC000002029718 560730057 /nfs/dbraw/zinc/73/00/57/560730057.db2.gz CPQNUIAYJCZTAE-UHFFFAOYSA-N 0 0 406.510 6.883 40 0 HKABRN Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3C)nc2c1 ZINC000002029925 560584110 /nfs/dbraw/zinc/58/41/10/560584110.db2.gz VLLJFDDIZYWWGN-UHFFFAOYSA-N 0 0 411.288 6.671 40 0 HKABRN O=C(Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1)c1ccc(Cl)cc1 ZINC000002030305 569070012 /nfs/dbraw/zinc/07/00/12/569070012.db2.gz DMPJALIYFLMTID-UHFFFAOYSA-N 0 0 402.906 6.287 40 0 HKABRN Brc1ccc(Oc2cccc(Oc3ccc(Br)cc3)c2)cc1 ZINC000002030653 557299768 /nfs/dbraw/zinc/29/97/68/557299768.db2.gz XQPMJGXGFIFFNK-UHFFFAOYSA-N 0 0 420.100 6.796 40 0 HKABRN O=C(Nc1ccccc1C(F)(F)F)N(C[C@H](O)c1ccccc1)C1CCCCC1 ZINC000002034917 557300104 /nfs/dbraw/zinc/30/01/04/557300104.db2.gz ZZFFYFYQJHDPOZ-FQEVSTJZSA-N 0 0 406.448 5.606 40 0 HKABRN O=C(O[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc2ccccc2n1 ZINC000002045715 557300099 /nfs/dbraw/zinc/30/00/99/557300099.db2.gz WOKCOSHBOZBKRP-QHCPKHFHSA-N 0 0 401.849 5.669 40 0 HKABRN CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000002048964 290691754 /nfs/dbraw/zinc/69/17/54/290691754.db2.gz QQWIMVRGPKFDGM-QLONCYMESA-N 0 0 424.713 8.543 40 0 biogenic,in-vitro HKABRN Cc1ccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 ZINC000002055550 568932577 /nfs/dbraw/zinc/93/25/77/568932577.db2.gz DKTDMFXBTYVRED-UHFFFAOYSA-N 0 0 415.496 6.525 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c1 ZINC000002062264 560584120 /nfs/dbraw/zinc/58/41/20/560584120.db2.gz VEWYHWXQVWCPPG-UHFFFAOYSA-N 0 0 420.896 6.579 40 0 HKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)OC2CCCCC2)cc1 ZINC000002074040 557307930 /nfs/dbraw/zinc/30/79/30/557307930.db2.gz VMCYJVSKQJIYEX-UHFFFAOYSA-N 0 0 421.566 5.135 40 0 HKABRN C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@H](C)CO2 ZINC000002077778 557308558 /nfs/dbraw/zinc/30/85/58/557308558.db2.gz WQLVFSAGQJTQCK-HOFADDDFSA-N 0 0 414.630 5.714 40 0 HKABRN C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@H](C)CO2 ZINC000002083335 557310501 /nfs/dbraw/zinc/31/05/01/557310501.db2.gz GMBQZIIUCVWOCD-OFMODGJOSA-N 0 0 416.646 5.794 40 0 in-vitro HKABRN CC1=C[C@@H](C)[C@H](C2OCC3(CO2)COC([C@@H]2[C@H](C)C=C(C)C[C@@H]2C)OC3)[C@@H](C)C1 ZINC000002099893 557313611 /nfs/dbraw/zinc/31/36/11/557313611.db2.gz JLEHIYGUDHRGOJ-QOBJWBDRSA-N 0 0 404.591 5.195 40 0 HKABRN CC1=C[C@@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@H](c3ccc4c(c3)OCO4)[C@@H]1[C@@H]2C ZINC000002116117 560584432 /nfs/dbraw/zinc/58/44/32/560584432.db2.gz FSFRMGYTTNBARV-VYZMNACGSA-N 0 0 420.505 5.178 40 0 HKABRN CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC[C@@H](c1ccc(O)cc1)C2=O ZINC000002121515 569285619 /nfs/dbraw/zinc/28/56/19/569285619.db2.gz DHNRWHTWDGATCC-IBGZPJMESA-N 0 0 406.478 5.150 40 0 biogenic HKABRN CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC[C@H](c1ccc(O)cc1)C2=O ZINC000002121517 569285616 /nfs/dbraw/zinc/28/56/16/569285616.db2.gz DHNRWHTWDGATCC-LJQANCHMSA-N 0 0 406.478 5.150 40 0 biogenic HKABRN CCOCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 ZINC000002140404 557318181 /nfs/dbraw/zinc/31/81/81/557318181.db2.gz AVXULQZSPUSULE-KJDMZOHVSA-N 0 0 404.554 5.140 40 0 HKABRN O=c1/c(=C/c2ccc(Cl)cc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 ZINC000002158853 560730438 /nfs/dbraw/zinc/73/04/38/560730438.db2.gz QNAKEJQPOJTLMM-HKWRFOASSA-N 0 0 414.917 5.291 40 0 HKABRN C[C@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 ZINC000002186689 569322032 /nfs/dbraw/zinc/32/20/32/569322032.db2.gz GEDYDMDWVRNOIZ-VVIORFSUSA-N 0 0 412.618 5.576 40 0 HKABRN CC(C)(C)c1ccc(C2=N/C(=C/c3ccccc3OCc3ccccc3)C(=O)O2)cc1 ZINC000002188138 569293711 /nfs/dbraw/zinc/29/37/11/569293711.db2.gz RSTBZLHYQIIQGH-HAVVHWLPSA-N 0 0 411.501 5.908 40 0 HKABRN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4cccc(C)c4C)c23)cc1 ZINC000002195335 557325709 /nfs/dbraw/zinc/32/57/09/557325709.db2.gz QTJCQJCQBSGORW-UHFFFAOYSA-N 0 0 419.575 6.014 40 0 HKABRN Cc1ccccc1NC(=O)N(CCO[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C1CCCCC1 ZINC000002223354 560559334 /nfs/dbraw/zinc/55/93/34/560559334.db2.gz VUGPATWMNVUEQK-SEIBCYHCSA-N 0 0 412.618 6.393 40 0 HKABRN Cc1ccccc1NC(=O)N(CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C1CCCCC1 ZINC000002223356 560559350 /nfs/dbraw/zinc/55/93/50/560559350.db2.gz VUGPATWMNVUEQK-WIOYSNFSSA-N 0 0 412.618 6.393 40 0 HKABRN Cc1ccccc1NC(=O)N(CCO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 ZINC000002223357 569322052 /nfs/dbraw/zinc/32/20/52/569322052.db2.gz VUGPATWMNVUEQK-AMZDPNTKSA-N 0 0 412.618 6.393 40 0 HKABRN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000002248752 557331044 /nfs/dbraw/zinc/33/10/44/557331044.db2.gz DCDZIVSHHQVMMX-CIAFOILYSA-N 0 0 424.283 5.917 40 0 HKABRN CC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)[C@@H](C)c1cccs1 ZINC000002256520 560585125 /nfs/dbraw/zinc/58/51/25/560585125.db2.gz BXEUCOHZDIOKBI-QUURXOELSA-N 0 0 413.627 6.129 40 0 HKABRN CC(C)(C)c1ccc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2N)cc1 ZINC000002264291 557332692 /nfs/dbraw/zinc/33/26/92/557332692.db2.gz WXNUAXDXCWLVBP-UHFFFAOYSA-N 0 0 406.477 5.268 40 0 HKABRN CC1(C)C[C@@]23Oc4ccccc4N2C(c2ccccc2)=C[C@H](c2ccccc2)[C@H]3CO1 ZINC000002273321 557333548 /nfs/dbraw/zinc/33/35/48/557333548.db2.gz FVYWBKDBHKJWES-MRJKTFCFSA-N 0 0 409.529 6.235 40 0 HKABRN CCOc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)[C@@H](C)[C@H]2CC)cc1 ZINC000002285762 560585319 /nfs/dbraw/zinc/58/53/19/560585319.db2.gz OQZNSCZZVINNGJ-LNXUECGXSA-N 0 0 414.549 6.314 40 0 HKABRN CC1(C)[C@H]2CC[C@]1(C)[C@@H](OCCN(C(=S)Nc1ccccc1)C1CCCCC1)C2 ZINC000002289292 557334655 /nfs/dbraw/zinc/33/46/55/557334655.db2.gz WXKBIDBDHLMSPC-KIVTUJJHSA-N 0 0 414.659 6.250 40 0 HKABRN CC1(C)[C@H]2CC[C@]1(C)[C@H](OCCN(C(=S)Nc1ccccc1)C1CCCCC1)C2 ZINC000002289294 560559518 /nfs/dbraw/zinc/55/95/18/560559518.db2.gz WXKBIDBDHLMSPC-UWUFEASWSA-N 0 0 414.659 6.250 40 0 HKABRN Cc1ccc(NC(=O)N(CCO[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C2CCCCC2)cc1 ZINC000002289357 560559548 /nfs/dbraw/zinc/55/95/48/560559548.db2.gz OPEXHECXYNEPKO-SEIBCYHCSA-N 0 0 412.618 6.393 40 0 HKABRN Cc1ccc(NC(=O)N(CCO[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)C2CCCCC2)cc1 ZINC000002289358 560559529 /nfs/dbraw/zinc/55/95/29/560559529.db2.gz OPEXHECXYNEPKO-WIOYSNFSSA-N 0 0 412.618 6.393 40 0 HKABRN Cc1ccc(NC(=O)N(CCO[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)C2CCCCC2)cc1 ZINC000002289359 569322062 /nfs/dbraw/zinc/32/20/62/569322062.db2.gz OPEXHECXYNEPKO-AMZDPNTKSA-N 0 0 412.618 6.393 40 0 HKABRN Cc1ccc(NC(=O)N(CCO[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)C2CCCCC2)cc1 ZINC000002289360 569322024 /nfs/dbraw/zinc/32/20/24/569322024.db2.gz OPEXHECXYNEPKO-VAPDBKPJSA-N 0 0 412.618 6.393 40 0 HKABRN Cc1sc2nc(SCC(=O)c3ccc(-c4ccccc4)cc3)n(C)c(=O)c2c1C ZINC000002370772 557341587 /nfs/dbraw/zinc/34/15/87/557341587.db2.gz JZCJIMPJGODDCI-UHFFFAOYSA-N 0 0 420.559 5.254 40 0 HKABRN Cc1ccc(-c2csc3ncnc(SCc4ccc(C(C)(C)C)cc4)c23)cc1 ZINC000002376955 557342143 /nfs/dbraw/zinc/34/21/43/557342143.db2.gz OWHOABWWVQXPNN-UHFFFAOYSA-N 0 0 404.604 7.257 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@@H]3[C@H]2c2ccc(F)cc2)cc1 ZINC000002377411 557342155 /nfs/dbraw/zinc/34/21/55/557342155.db2.gz ZNMDYRBJLIGPMV-ADZGGFORSA-N 0 0 421.556 5.857 40 0 HKABRN CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccccn1 ZINC000002383326 557342600 /nfs/dbraw/zinc/34/26/00/557342600.db2.gz RHFZYAPIBRHSRS-UHFFFAOYSA-N 0 0 400.507 5.002 40 0 HKABRN Clc1ccc(-c2nc(-c3ccccc3)ncc2-c2nnnn2-c2ccccc2)cc1 ZINC000002385023 557342707 /nfs/dbraw/zinc/34/27/07/557342707.db2.gz DLRNVBGNFHACDC-UHFFFAOYSA-N 0 0 410.868 5.107 40 0 HKABRN Cc1ccc(C(=O)C[C@H](Sc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000002388828 557343241 /nfs/dbraw/zinc/34/32/41/557343241.db2.gz FSVCJRUFQZJXNU-QFIPXVFZSA-N 0 0 401.358 7.408 40 0 HKABRN O=C(Nc1nc2ccc(F)cc2s1)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000002400951 560730937 /nfs/dbraw/zinc/73/09/37/560730937.db2.gz QKBXXFIHGWLJJN-UHFFFAOYSA-N 0 0 416.433 5.461 40 0 HKABRN Cc1ccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccccc2)cc1 ZINC000002443422 569024457 /nfs/dbraw/zinc/02/44/57/569024457.db2.gz HVRJPTVHZSLPCF-UHFFFAOYSA-N 0 0 407.542 6.688 40 0 HKABRN CCOc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccccc2)cc1 ZINC000002453383 560731095 /nfs/dbraw/zinc/73/10/95/560731095.db2.gz QBGQFEKRFGWBKX-UHFFFAOYSA-N 0 0 401.535 5.934 40 0 HKABRN O=C(c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)C(Cl)(Cl)Cl ZINC000002510276 557353731 /nfs/dbraw/zinc/35/37/31/557353731.db2.gz WLQMFVQUWGTSSW-UHFFFAOYSA-N 0 0 419.532 5.122 40 0 HKABRN Clc1cccc(N2CCN(c3cccc(Cl)c3)C2C(Cl)(Cl)Cl)c1 ZINC000002517011 557353930 /nfs/dbraw/zinc/35/39/30/557353930.db2.gz NFQIYHPAGNZAOO-UHFFFAOYSA-N 0 0 410.559 6.016 40 0 HKABRN O=C(CCC(=O)c1ccc(-c2cccs2)s1)c1ccc(-c2cccs2)s1 ZINC000002519469 557354344 /nfs/dbraw/zinc/35/43/44/557354344.db2.gz KISHQZYADXZBKP-UHFFFAOYSA-N 0 0 414.598 7.112 40 0 HKABRN CCOC(=O)[C@@H](C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2)ccc1Cl ZINC000002526771 557354668 /nfs/dbraw/zinc/35/46/68/557354668.db2.gz XSPXBDRGNLATSI-LLVKDONJSA-N 0 0 416.779 5.260 40 0 HKABRN CC/C(=C(/c1ccc(O)cc1)c1ccc(OC(=O)C(C)(C)C)cc1)c1ccccc1 ZINC000002528511 557354690 /nfs/dbraw/zinc/35/46/90/557354690.db2.gz PPSLXHBJNGQPGG-OCOZRVBESA-N 0 0 400.518 6.713 40 0 in-vitro HKABRN O=C([O-])C1CC[NH+](Cc2c(-c3ccc(-c4ccccc4)cc3)nc3sccn23)CC1 ZINC000002528879 568780444 /nfs/dbraw/zinc/78/04/44/568780444.db2.gz GAUKHIPOSUWEIB-UHFFFAOYSA-N 0 0 417.534 5.026 40 0 HKABRN C[C@H]1C[C@H](OC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC(C)(C)C2)CC(C)(C)C1 ZINC000002545167 557355674 /nfs/dbraw/zinc/35/56/74/557355674.db2.gz ATHBXDPWCKSOLE-FGYAAKKASA-N 0 0 414.586 6.430 40 0 HKABRN COc1ccccc1[C@@H](Nc1ccc(Br)cc1)c1c(C)[nH]c2ccccc21 ZINC000002546234 569166560 /nfs/dbraw/zinc/16/65/60/569166560.db2.gz CCKBKUKXINLHPO-HSZRJFAPSA-N 0 0 421.338 6.449 40 0 HKABRN COc1ccccc1[C@H](Nc1ccc(Br)cc1)c1c(C)[nH]c2ccccc21 ZINC000002546237 569166545 /nfs/dbraw/zinc/16/65/45/569166545.db2.gz CCKBKUKXINLHPO-QHCPKHFHSA-N 0 0 421.338 6.449 40 0 HKABRN COc1ccccc1[C@@H](Nc1cccc(C(F)(F)F)c1)c1c(C)[nH]c2ccccc21 ZINC000002546252 569166475 /nfs/dbraw/zinc/16/64/75/569166475.db2.gz WSPDFYANMVHTKP-HSZRJFAPSA-N 0 0 410.439 6.705 40 0 HKABRN COc1ccccc1[C@H](Nc1cccc(C(F)(F)F)c1)c1c(C)[nH]c2ccccc21 ZINC000002546255 569166512 /nfs/dbraw/zinc/16/65/12/569166512.db2.gz WSPDFYANMVHTKP-QHCPKHFHSA-N 0 0 410.439 6.705 40 0 HKABRN COc1ccccc1[C@@H](Nc1ccccc1Br)c1c(C)[nH]c2ccccc21 ZINC000002546259 569166550 /nfs/dbraw/zinc/16/65/50/569166550.db2.gz ILVQAVAPBPADPA-HSZRJFAPSA-N 0 0 421.338 6.449 40 0 HKABRN COc1ccccc1[C@H](Nc1ccccc1Br)c1c(C)[nH]c2ccccc21 ZINC000002546262 569166505 /nfs/dbraw/zinc/16/65/05/569166505.db2.gz ILVQAVAPBPADPA-QHCPKHFHSA-N 0 0 421.338 6.449 40 0 HKABRN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C ZINC000002550515 560731089 /nfs/dbraw/zinc/73/10/89/560731089.db2.gz CGKKHDMOCTVLAY-UHFFFAOYSA-N 0 0 421.353 5.137 40 0 HKABRN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCOc1cccc2ccccc21 ZINC000002553836 568782391 /nfs/dbraw/zinc/78/23/91/568782391.db2.gz MDHPJASAJCQYFM-UHFFFAOYSA-N 0 0 406.869 5.265 40 0 HKABRN CC(=O)O[C@@H](C)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000002557259 560731099 /nfs/dbraw/zinc/73/10/99/560731099.db2.gz MCTOSEWKAVRIKS-JMOKZGQWSA-N 0 0 400.559 5.369 40 0 HKABRN O=C(Nc1cccc(Oc2c(F)c(F)c(F)c(F)c2F)c1)c1ccc(Cl)cc1 ZINC000002559388 557356369 /nfs/dbraw/zinc/35/63/69/557356369.db2.gz WZZOQNOZBIMGJC-UHFFFAOYSA-N 0 0 413.729 6.080 40 0 HKABRN CC[C@H](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)C(C)C ZINC000002559460 569024459 /nfs/dbraw/zinc/02/44/59/569024459.db2.gz KZJWDPNRJALLNS-JHXIUNCFSA-N 0 0 414.718 8.025 40 0 HKABRN C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000002559932 557356381 /nfs/dbraw/zinc/35/63/81/557356381.db2.gz INBGSXNNRGWLJU-UDLBQRMISA-N 0 0 402.663 6.504 40 0 HKABRN CC(C)OP(=O)(OC(C)C)C(Cl)(Cl)P(=O)(OC(C)C)OC(C)C ZINC000002560565 557356549 /nfs/dbraw/zinc/35/65/49/557356549.db2.gz OMTPMIYCEZYHFY-UHFFFAOYSA-N 0 0 413.215 6.162 40 0 in-vitro HKABRN CSC(=O)c1c(CC(C)C)c(C(=O)SC)c(C(F)(F)F)nc1C(F)F ZINC000002564885 557356770 /nfs/dbraw/zinc/35/67/70/557356770.db2.gz YUBJPYNSGLJZPQ-UHFFFAOYSA-N 0 0 401.422 5.243 40 0 in-vitro HKABRN O=C(Sc1ssc(=S)c1SC(=O)c1ccccc1)c1ccccc1 ZINC000002569852 568484076 /nfs/dbraw/zinc/48/40/76/568484076.db2.gz ACVFKHLFCLEUPR-UHFFFAOYSA-N 0 0 406.600 6.404 40 0 HKABRN Clc1cc2c(oc3c2c(Cl)c(Cl)c(Cl)c3Cl)c(Cl)c1Cl ZINC000002569948 557357205 /nfs/dbraw/zinc/35/72/05/557357205.db2.gz WDMKCPIVJOGHBF-UHFFFAOYSA-N 0 0 409.310 8.160 40 0 in-vitro HKABRN Clc1cc2oc3c(c2c(Cl)c1Cl)c(Cl)c(Cl)c(Cl)c3Cl ZINC000002569952 557357193 /nfs/dbraw/zinc/35/71/93/557357193.db2.gz VEZCTZWLJYWARH-UHFFFAOYSA-N 0 0 409.310 8.160 40 0 in-vitro HKABRN COc1ccc(OC)c(S[C@@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000002573730 568784488 /nfs/dbraw/zinc/78/44/88/568784488.db2.gz BMBHHGDCPSSXEJ-QFIPXVFZSA-N 0 0 412.938 6.464 40 0 HKABRN O=c1oc2c(Cl)cc(Cl)cc2c(-c2ccc(O)cc2)c1-c1ccc(Cl)cc1 ZINC000002573863 568784627 /nfs/dbraw/zinc/78/46/27/568784627.db2.gz YYXGJMVZNJPJFA-UHFFFAOYSA-N 0 0 417.675 6.793 40 0 HKABRN O=c1oc2c(Cl)cc(Cl)cc2c(-c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000002573864 568784633 /nfs/dbraw/zinc/78/46/33/568784633.db2.gz QJRIEVPTFJRGEH-UHFFFAOYSA-N 0 0 401.676 7.087 40 0 HKABRN O=c1oc2c(Cl)cc(Cl)cc2c(-c2ccc(O)cc2)c1-c1cc(O)cc(O)c1 ZINC000002573869 568784528 /nfs/dbraw/zinc/78/45/28/568784528.db2.gz UMCZRWLBYKBFEU-UHFFFAOYSA-N 0 0 415.228 5.551 40 0 HKABRN COc1ccc(-c2c(=O)oc3c(Cl)cc(Cl)cc3c2-c2ccc(O)cc2)cc1 ZINC000002573874 568784555 /nfs/dbraw/zinc/78/45/55/568784555.db2.gz SMTJNERQRYYXCQ-UHFFFAOYSA-N 0 0 413.256 6.148 40 0 HKABRN FC(F)(F)Oc1ccc2nc(Cl)c(-c3ccc(Br)cc3)cc2c1 ZINC000002577924 557357715 /nfs/dbraw/zinc/35/77/15/557357715.db2.gz MHYRLNUMGRLBNB-UHFFFAOYSA-N 0 0 402.597 6.216 40 0 HKABRN CN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000002580997 557358044 /nfs/dbraw/zinc/35/80/44/557358044.db2.gz ODTTVNAVWYUGKP-HXUWFJFHSA-N 0 0 407.341 5.399 40 0 HKABRN O=c1cc(-c2ccc(Br)cc2)cc(-c2ccc(Br)cc2)[nH]1 ZINC000002583893 557358377 /nfs/dbraw/zinc/35/83/77/557358377.db2.gz RBAOEYJFGUCXNS-UHFFFAOYSA-N 0 0 405.089 5.234 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c(C)c1 ZINC000002590130 557358812 /nfs/dbraw/zinc/35/88/12/557358812.db2.gz HKAJPLLGUUDEGR-UHFFFAOYSA-N 0 0 411.288 6.671 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2ccc(I)cc2CC)c1 ZINC000002591054 557358979 /nfs/dbraw/zinc/35/89/79/557358979.db2.gz UBCUUTVFRZYYCL-UHFFFAOYSA-N 0 0 423.294 5.285 40 0 HKABRN Cc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)c(C)c1 ZINC000002593084 557359003 /nfs/dbraw/zinc/35/90/03/557359003.db2.gz NULSPLJHGZVIAF-UHFFFAOYSA-N 0 0 411.288 6.671 40 0 HKABRN Cc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)c(C)c1 ZINC000002593180 557358863 /nfs/dbraw/zinc/35/88/63/557358863.db2.gz OOXSWUYRFPBETM-UHFFFAOYSA-N 0 0 418.924 7.141 40 0 HKABRN CCCOC(=O)c1ccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)cc1 ZINC000002593449 557358983 /nfs/dbraw/zinc/35/89/83/557358983.db2.gz NJEUTBOJPSDPDT-RMKNXTFCSA-N 0 0 408.281 5.221 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c(C)c1 ZINC000002594352 557358929 /nfs/dbraw/zinc/35/89/29/557358929.db2.gz IDASRNIQLOBJKY-UHFFFAOYSA-N 0 0 411.288 6.671 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c(C)c1 ZINC000002594762 557359130 /nfs/dbraw/zinc/35/91/30/557359130.db2.gz FAEIODUTNVSEAA-UHFFFAOYSA-N 0 0 411.288 6.671 40 0 HKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4C)cc3n2)cc1 ZINC000002594777 557359153 /nfs/dbraw/zinc/35/91/53/557359153.db2.gz BZLWIZSJPWDYRU-UHFFFAOYSA-N 0 0 412.537 5.941 40 0 HKABRN O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1cccc2c(Cl)cccc12 ZINC000002595357 571306735 /nfs/dbraw/zinc/30/67/35/571306735.db2.gz QCMIAXIFCXWACJ-UHFFFAOYSA-N 0 0 415.902 5.369 40 0 HKABRN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1c(C)cc(C)cc1C ZINC000002665828 569211712 /nfs/dbraw/zinc/21/17/12/569211712.db2.gz UXMSXJDNKAEZLH-UHFFFAOYSA-N 0 0 423.534 5.535 40 0 HKABRN COc1cccc([C@H](Nc2ccccn2)c2c3ccccc3n(O)c2-c2ccccc2)c1 ZINC000002667936 557366342 /nfs/dbraw/zinc/36/63/42/557366342.db2.gz BUVAWIJPNDAMSR-SANMLTNESA-N 0 0 421.500 6.151 40 0 HKABRN COc1cccc([C@@H](Nc2ccccn2)c2c3ccccc3n(O)c2-c2ccccc2)c1 ZINC000002667937 557366279 /nfs/dbraw/zinc/36/62/79/557366279.db2.gz BUVAWIJPNDAMSR-AREMUKBSSA-N 0 0 421.500 6.151 40 0 HKABRN CC(C)n1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs/c1=N\c1ccccc1 ZINC000002676918 569320642 /nfs/dbraw/zinc/32/06/42/569320642.db2.gz PHJQTGWPMRNKMK-PNHLSOANSA-N 0 0 422.638 7.331 40 0 HKABRN Fc1ccc(-c2nnc(Oc3ccc(Cc4ccccc4)cc3)c3ccccc32)cc1 ZINC000002679479 560885293 /nfs/dbraw/zinc/88/52/93/560885293.db2.gz BIMNFRYPOCEIRY-UHFFFAOYSA-N 0 0 406.460 6.819 40 0 HKABRN c1ccc2c3sc(CCCCc4nc5ccc6ccccc6c5s4)nc3ccc2c1 ZINC000002679961 557367191 /nfs/dbraw/zinc/36/71/91/557367191.db2.gz XKQBGSRIPPNMPX-UHFFFAOYSA-N 0 0 424.594 7.778 40 0 HKABRN O=C(Nc1ccc(C23C[C@@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1ccccc1 ZINC000002683848 557367472 /nfs/dbraw/zinc/36/74/72/557367472.db2.gz YQTWEVXDOHZBKW-YIOSKMQZSA-N 0 0 407.557 6.729 40 0 HKABRN Cc1ccc(C23C[C@H]4C[C@H](CC(NC(=O)Nc5nc6ccccc6s5)(C4)C2)C3)cc1 ZINC000002684009 569322179 /nfs/dbraw/zinc/32/21/79/569322179.db2.gz BENZZHQBODYQQS-FLCJAFJVSA-N 0 0 417.578 6.017 40 0 HKABRN c1s/c(=N/c2ccccc2)n(-c2ccccc2)c1-c1ccc(Oc2ccccc2)cc1 ZINC000002684267 560885312 /nfs/dbraw/zinc/88/53/12/560885312.db2.gz OIPIRWQSQVMMNU-BYYHNAKLSA-N 0 0 420.537 7.231 40 0 HKABRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)c3ccc(C(C)C)cc3)o2)c1 ZINC000002684333 560885335 /nfs/dbraw/zinc/88/53/35/560885335.db2.gz VZZKZDXARPKSRP-UHFFFAOYSA-N 0 0 424.566 6.179 40 0 HKABRN Cc1cccc(CN(C(=O)Nc2cccc(Cl)c2)c2nnc3n2CCCCC3)c1 ZINC000002684493 557367556 /nfs/dbraw/zinc/36/75/56/557367556.db2.gz NRZVELZVWZYFJE-UHFFFAOYSA-N 0 0 409.921 5.205 40 0 HKABRN Cc1ccc(CN(C(=O)Nc2cccc(Cl)c2)c2nnc3n2CCCCC3)cc1 ZINC000002684495 557367497 /nfs/dbraw/zinc/36/74/97/557367497.db2.gz UJFSSXUZBNFQOB-UHFFFAOYSA-N 0 0 409.921 5.205 40 0 HKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2cccc(C)c2)cc1 ZINC000002684734 560885330 /nfs/dbraw/zinc/88/53/30/560885330.db2.gz NFPKQJQIOVYKHL-UHFFFAOYSA-N 0 0 414.534 5.282 40 0 HKABRN CCCCCN(CCCCC)S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2CC ZINC000002708326 569214507 /nfs/dbraw/zinc/21/45/07/569214507.db2.gz MWTLCOVCMKCJIS-UHFFFAOYSA-N 0 0 416.587 5.191 40 0 HKABRN Clc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccccc2)c1 ZINC000002714641 568931524 /nfs/dbraw/zinc/93/15/24/568931524.db2.gz OOHWMEKZEVECFL-UHFFFAOYSA-N 0 0 410.908 6.353 40 0 HKABRN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3Nc2cc(C)ccc2C)cc1 ZINC000002715176 557369677 /nfs/dbraw/zinc/36/96/77/557369677.db2.gz PGGBCZLLSCOHNE-UHFFFAOYSA-N 0 0 420.516 6.457 40 0 HKABRN S=C(Nc1ccc(Cl)cc1)N1CCS[C@H]1c1ccc(Cl)cc1Cl ZINC000002727489 557371191 /nfs/dbraw/zinc/37/11/91/557371191.db2.gz RDULVRPMQHZXBP-HNNXBMFYSA-N 0 0 403.787 6.091 40 0 HKABRN S=C(Nc1ccc(Cl)cc1)N1CCS[C@@H]1c1ccc(Cl)cc1Cl ZINC000002727490 557371145 /nfs/dbraw/zinc/37/11/45/557371145.db2.gz RDULVRPMQHZXBP-OAHLLOKOSA-N 0 0 403.787 6.091 40 0 HKABRN S=C(Nc1cccc(Cl)c1)N1CCS[C@H]1c1ccc(Cl)cc1Cl ZINC000002727653 557371175 /nfs/dbraw/zinc/37/11/75/557371175.db2.gz XVFAKSKXBUMNCE-HNNXBMFYSA-N 0 0 403.787 6.091 40 0 HKABRN S=C(Nc1cccc(Cl)c1)N1CCS[C@@H]1c1ccc(Cl)cc1Cl ZINC000002727654 557371186 /nfs/dbraw/zinc/37/11/86/557371186.db2.gz XVFAKSKXBUMNCE-OAHLLOKOSA-N 0 0 403.787 6.091 40 0 HKABRN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3cc(Cl)cc(Cl)c3)n2)cc1C ZINC000002733257 568931784 /nfs/dbraw/zinc/93/17/84/568931784.db2.gz HAFJDVWDWAAYEH-UHFFFAOYSA-N 0 0 421.371 7.747 40 0 HKABRN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1C ZINC000002733301 568931839 /nfs/dbraw/zinc/93/18/39/568931839.db2.gz VTAJCDMWTOGYIL-UHFFFAOYSA-N 0 0 421.371 7.747 40 0 HKABRN COC(=O)c1ccc(Cn2nc(-c3ccc(C)c(C)c3)cc2-c2ccc(C)c(C)c2)o1 ZINC000002733340 568931768 /nfs/dbraw/zinc/93/17/68/568931768.db2.gz KHEJUFSOZYYOMK-UHFFFAOYSA-N 0 0 414.505 5.879 40 0 HKABRN Cc1ccc(-c2nn(-c3ccccc3)c(-c3ccc(C)cc3)c2Br)cc1 ZINC000002733368 568931777 /nfs/dbraw/zinc/93/17/77/568931777.db2.gz XPKRFSSDIVWCTM-UHFFFAOYSA-N 0 0 403.323 6.586 40 0 HKABRN CCc1c(-c2ccc(OC)cc2)nn(-c2cccc(Cl)c2)c1-c1ccc(OC)cc1 ZINC000002733421 568931798 /nfs/dbraw/zinc/93/17/98/568931798.db2.gz DXRLGRHNEUVBDN-UHFFFAOYSA-N 0 0 418.924 6.439 40 0 HKABRN CC(C)=C1[C@@H]2CC[C@H]1[C@@H]1C(=O)N(c3nc(-c4cc(C)ccc4C)c(C)s3)C(=O)[C@H]21 ZINC000002738272 560885348 /nfs/dbraw/zinc/88/53/48/560885348.db2.gz WITBSXWGOHCWRG-OBMJPTGESA-N 0 0 406.551 5.217 40 0 HKABRN FC(F)(F)c1cc(-c2ccc(Cl)s2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000002741146 568931860 /nfs/dbraw/zinc/93/18/60/568931860.db2.gz XHCHVTRXRCPJKY-UHFFFAOYSA-N 0 0 419.859 6.699 40 0 HKABRN CCOC(=O)C1=C(NC(=S)Nc2ccccc2)c2ccccc2CC12CCCC2 ZINC000002745069 568931787 /nfs/dbraw/zinc/93/17/87/568931787.db2.gz MEWCPLCAOSWLHV-UHFFFAOYSA-N 0 0 406.551 5.064 40 0 HKABRN COc1ccc(-c2nn(-c3cccc(F)c3)c(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000002745807 568931816 /nfs/dbraw/zinc/93/18/16/568931816.db2.gz RYLFIKRUEOJMJC-UHFFFAOYSA-N 0 0 408.860 6.016 40 0 HKABRN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(-c2ccco2)nc2ccccc21 ZINC000002747257 568931780 /nfs/dbraw/zinc/93/17/80/568931780.db2.gz FYATWIWAWODVEI-UHFFFAOYSA-N 0 0 415.449 6.010 40 0 HKABRN Cc1ccc(-c2csc(NC(=O)CCC(=O)OCc3ccc(Cl)cc3)n2)cc1 ZINC000002751236 560732063 /nfs/dbraw/zinc/73/20/63/560732063.db2.gz UCYSXQBYKURBBN-UHFFFAOYSA-N 0 0 414.914 5.234 40 0 HKABRN CCSc1nnc(NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc32)s1 ZINC000002754094 568931752 /nfs/dbraw/zinc/93/17/52/568931752.db2.gz UBKICACFCDSTAN-UHFFFAOYSA-N 0 0 422.535 5.126 40 0 HKABRN CC1C[C@@H](C)N(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)[C@H](C)C1 ZINC000002755756 557380155 /nfs/dbraw/zinc/38/01/55/557380155.db2.gz AFUZUSPUDYOVQC-HUUCEWRRSA-N 0 0 416.447 5.064 40 0 HKABRN CC1C[C@H](C)N(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)[C@@H](C)C1 ZINC000002755757 557380192 /nfs/dbraw/zinc/38/01/92/557380192.db2.gz AFUZUSPUDYOVQC-GJZGRUSLSA-N 0 0 416.447 5.064 40 0 HKABRN CCCc1ccc(-c2nc(N3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5=C(C)C)[C@@H]4C3=O)sc2C)cc1 ZINC000002760720 557381263 /nfs/dbraw/zinc/38/12/63/557381263.db2.gz AXVSKANOWZGUET-GHSBBIOCSA-N 0 0 420.578 5.553 40 0 HKABRN Cc1ccc(-c2ccc(OC(=O)c3cc(-c4ccccc4)nc4ccccc43)cc2)cc1 ZINC000002762313 568932005 /nfs/dbraw/zinc/93/20/05/568932005.db2.gz QEUNIZFAGWBIFK-UHFFFAOYSA-N 0 0 415.492 7.096 40 0 HKABRN CC(=O)c1ccc(OC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000002762314 568931972 /nfs/dbraw/zinc/93/19/72/568931972.db2.gz KJYQQFMGJJPNES-UHFFFAOYSA-N 0 0 416.864 5.615 40 0 HKABRN Nc1ccc2nc(CCCCCCCCc3nc4ccc(N)cc4s3)sc2c1 ZINC000002765621 557382488 /nfs/dbraw/zinc/38/24/88/557382488.db2.gz XSXVCWSSHHXGLN-UHFFFAOYSA-N 0 0 410.612 6.196 40 0 HKABRN O=C(Oc1ccc(-c2ccccc2)cc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002766430 568932149 /nfs/dbraw/zinc/93/21/49/568932149.db2.gz KOQQDWNYOFTIKC-UHFFFAOYSA-N 0 0 401.465 6.788 40 0 HKABRN O=C(Oc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002766435 568932145 /nfs/dbraw/zinc/93/21/45/568932145.db2.gz RNXZYENIHCUVSO-UHFFFAOYSA-N 0 0 404.263 5.884 40 0 HKABRN CCCc1ccc(-c2csc(N3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5=C(C)C)[C@@H]4C3=O)n2)cc1 ZINC000002769866 557383652 /nfs/dbraw/zinc/38/36/52/557383652.db2.gz GGWYDROXNIJJJZ-ALFLXDJESA-N 0 0 406.551 5.244 40 0 HKABRN CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1 ZINC000002771454 568932085 /nfs/dbraw/zinc/93/20/85/568932085.db2.gz CWCBHOVPXMSJGK-JJIBRWJFSA-N 0 0 411.501 5.908 40 0 HKABRN O=C(OCc1ccccc1F)c1ccc(COc2ccccc2Br)o1 ZINC000002782372 568932277 /nfs/dbraw/zinc/93/22/77/568932277.db2.gz CDSXAZVSWWRJPE-UHFFFAOYSA-N 0 0 405.219 5.117 40 0 HKABRN Cc1nn2c(nc(-c3ccc(F)cc3)cc2C(F)(F)C(F)(F)F)c1Br ZINC000002786703 568932226 /nfs/dbraw/zinc/93/22/26/568932226.db2.gz NJAPHENJUBXDIG-UHFFFAOYSA-N 0 0 424.142 5.260 40 0 HKABRN CCOc1ccc(OCc2ccc(-c3nc4c5c(C)c(C)sc5ncn4n3)o2)cc1 ZINC000002790250 568932284 /nfs/dbraw/zinc/93/22/84/568932284.db2.gz UEQBZVURFHSKEY-UHFFFAOYSA-N 0 0 420.494 5.194 40 0 HKABRN Clc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3cccc4ccccc43)C2)cc1 ZINC000002797319 568932252 /nfs/dbraw/zinc/93/22/52/568932252.db2.gz KTRUSKSUYLGQRR-RUZDIDTESA-N 0 0 407.904 6.899 40 0 HKABRN Clc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3cccc4ccccc43)C2)cc1 ZINC000002797320 568932180 /nfs/dbraw/zinc/93/21/80/568932180.db2.gz KTRUSKSUYLGQRR-VWLOTQADSA-N 0 0 407.904 6.899 40 0 HKABRN O=C(Nc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1)c1ccco1 ZINC000002835622 557398845 /nfs/dbraw/zinc/39/88/45/557398845.db2.gz WFJMXMMPYVXLFE-UHFFFAOYSA-N 0 0 422.444 5.328 40 0 aggregator HKABRN COc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2Br)cc1OC ZINC000002887401 568932387 /nfs/dbraw/zinc/93/23/87/568932387.db2.gz GZNZRPCEBHLFGN-UHFFFAOYSA-N 0 0 413.267 5.353 40 0 HKABRN COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1cccs1 ZINC000002889636 568814807 /nfs/dbraw/zinc/81/48/07/568814807.db2.gz FNOVHKFQRCFDAB-UHFFFAOYSA-N 0 0 422.325 5.278 40 0 HKABRN CCOc1ccc(-c2csc(NC(=O)CCc3ccccc3)c2C(=O)OC)cc1 ZINC000002889643 568814854 /nfs/dbraw/zinc/81/48/54/568814854.db2.gz MBXVADJBTSNRAY-UHFFFAOYSA-N 0 0 409.507 5.172 40 0 HKABRN COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(Cl)cc1 ZINC000002889657 568814819 /nfs/dbraw/zinc/81/48/19/568814819.db2.gz GQZLNOITFNOFRS-UHFFFAOYSA-N 0 0 406.290 5.761 40 0 HKABRN CCOc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)c2C(=O)OC)cc1 ZINC000002889661 568814737 /nfs/dbraw/zinc/81/47/37/568814737.db2.gz JKHAYGJBXQBYRL-UHFFFAOYSA-N 0 0 415.898 5.506 40 0 HKABRN COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cccc(Cl)c1 ZINC000002889667 568932446 /nfs/dbraw/zinc/93/24/46/568932446.db2.gz OOXPTNZDLRFMAC-UHFFFAOYSA-N 0 0 406.290 5.761 40 0 HKABRN COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1cccc(Cl)c1 ZINC000002889670 568814758 /nfs/dbraw/zinc/81/47/58/568814758.db2.gz LOXSXPBRORXVBQ-UHFFFAOYSA-N 0 0 401.871 5.116 40 0 HKABRN CCCOc1ccc(-c2csc(NC(=O)c3ccccc3C)c2C(=O)OC)cc1 ZINC000002889694 568932368 /nfs/dbraw/zinc/93/23/68/568932368.db2.gz WUIPGLHRSWFMSN-UHFFFAOYSA-N 0 0 409.507 5.551 40 0 HKABRN CCCOc1ccc(-c2csc(NC(=O)c3ccc(C)cc3)c2C(=O)OC)cc1 ZINC000002889701 568814870 /nfs/dbraw/zinc/81/48/70/568814870.db2.gz ULFJGUKMKBKMGE-UHFFFAOYSA-N 0 0 409.507 5.551 40 0 HKABRN CCOc1ccc(-c2csc(NC(=O)c3ccc(C)c(C)c3)c2C(=O)OC)cc1 ZINC000002889738 568932393 /nfs/dbraw/zinc/93/23/93/568932393.db2.gz XINUVOKDSNNQJX-UHFFFAOYSA-N 0 0 409.507 5.470 40 0 HKABRN CCCOc1ccc(-c2csc(NC(=O)c3ccc(C)c(C)c3)c2C(=O)OC)cc1 ZINC000002889740 568932402 /nfs/dbraw/zinc/93/24/02/568932402.db2.gz ROAZDFHZXRRRTI-UHFFFAOYSA-N 0 0 423.534 5.860 40 0 HKABRN COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)COc1ccc(C)cc1 ZINC000002889756 568932469 /nfs/dbraw/zinc/93/24/69/568932469.db2.gz POYGNOXZBPFOIF-UHFFFAOYSA-N 0 0 409.507 5.144 40 0 HKABRN COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)COc1ccc(C)cc1C ZINC000002889778 568932450 /nfs/dbraw/zinc/93/24/50/568932450.db2.gz DLBVQXMQLPVWJC-UHFFFAOYSA-N 0 0 423.534 5.453 40 0 HKABRN COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)COc1cc(C)ccc1C ZINC000002889792 568932553 /nfs/dbraw/zinc/93/25/53/568932553.db2.gz ZZQNGIVWUBMNMX-UHFFFAOYSA-N 0 0 423.534 5.453 40 0 HKABRN CC(C)c1ccc(-c2csc3ncnc(Nc4cccc(C(F)(F)F)c4)c23)cc1 ZINC000002890619 560886041 /nfs/dbraw/zinc/88/60/41/560886041.db2.gz AGMBJFBIJGNONE-UHFFFAOYSA-N 0 0 413.468 7.244 40 0 HKABRN O=C(Oc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1)c1ccccc1Cl ZINC000002895281 557424100 /nfs/dbraw/zinc/42/41/00/557424100.db2.gz ZXBYJOALAJTANE-UDWIEESQSA-N 0 0 421.811 5.043 40 0 HKABRN O=C(Oc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1)c1ccc(Cl)cc1 ZINC000002898917 557424612 /nfs/dbraw/zinc/42/46/12/557424612.db2.gz SUPCPMDOJOWFFB-UDWIEESQSA-N 0 0 421.811 5.043 40 0 HKABRN COc1ccc([C@H]2CC(c3ccccc3)=C[C@](O)(C(C)(C)C)[C@@H]2C(=O)C(C)(C)C)cc1 ZINC000002901385 557424603 /nfs/dbraw/zinc/42/46/03/557424603.db2.gz BLCORHYSCGUWJY-FMGHJNRGSA-N 0 0 420.593 6.275 40 0 HKABRN O=C(Oc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1)c1cccc(Cl)c1 ZINC000002910717 557426245 /nfs/dbraw/zinc/42/62/45/557426245.db2.gz VSGALZDSXQXHMO-RGVLZGJSSA-N 0 0 421.811 5.043 40 0 HKABRN O=C(Oc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1)c1ccccc1Cl ZINC000002976471 557433337 /nfs/dbraw/zinc/43/33/37/557433337.db2.gz ZYYFQIMCRXJBLV-DEDYPNTBSA-N 0 0 421.811 5.043 40 0 HKABRN O=C(Oc1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1)c1ccccc1Cl ZINC000002976546 557433313 /nfs/dbraw/zinc/43/33/13/557433313.db2.gz QMKNQGQGJKXLEO-DEDYPNTBSA-N 0 0 421.811 5.043 40 0 HKABRN O=C(Oc1cccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)c1)c1ccccc1F ZINC000002989958 557437498 /nfs/dbraw/zinc/43/74/98/557437498.db2.gz VZVQJRJHXCAWMO-NDENLUEZSA-N 0 0 421.811 5.043 40 0 HKABRN CC(C)(C)c1cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc(C(C)(C)C)c1O ZINC000003011521 568838123 /nfs/dbraw/zinc/83/81/23/568838123.db2.gz YMPPKJNBFHRGBO-XDHOZWIPSA-N 0 0 411.929 5.985 40 0 HKABRN COc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Cl)cc1Cl)C(C)(C)N2 ZINC000003012026 568838015 /nfs/dbraw/zinc/83/80/15/568838015.db2.gz XQXSUCRHADQNDU-PYCFMQQDSA-N 0 0 423.390 6.685 40 0 HKABRN Cc1ccc(S(=O)(=O)n2cnc3ccc(-c4ccccc4)c(-c4ccccc4)c32)cc1 ZINC000003012549 568838105 /nfs/dbraw/zinc/83/81/05/568838105.db2.gz MWFOOQWNEMMVHU-UHFFFAOYSA-N 0 0 424.525 5.916 40 0 HKABRN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4C)c3N2)cc1 ZINC000003012789 557441177 /nfs/dbraw/zinc/44/11/77/557441177.db2.gz WFOLSPRSFQUWTK-MOPGFXCFSA-N 0 0 414.431 5.413 40 0 HKABRN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4C)c3N2)cc1 ZINC000003012790 557441164 /nfs/dbraw/zinc/44/11/64/557441164.db2.gz WFOLSPRSFQUWTK-OALUTQOASA-N 0 0 414.431 5.413 40 0 HKABRN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4C)c3N2)cc1 ZINC000003012791 557441206 /nfs/dbraw/zinc/44/12/06/557441206.db2.gz WFOLSPRSFQUWTK-RTBURBONSA-N 0 0 414.431 5.413 40 0 HKABRN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4C)c3N2)cc1 ZINC000003012793 557441225 /nfs/dbraw/zinc/44/12/25/557441225.db2.gz WFOLSPRSFQUWTK-RBUKOAKNSA-N 0 0 414.431 5.413 40 0 HKABRN Cc1cc(-c2ccc(Br)cc2)cc(-c2ccc(Br)cc2)n1 ZINC000003014096 568838257 /nfs/dbraw/zinc/83/82/57/568838257.db2.gz SDQUUQMJFSAQCD-UHFFFAOYSA-N 0 0 403.117 6.249 40 0 HKABRN CC(C)c1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000003015163 557783169 /nfs/dbraw/zinc/78/31/69/557783169.db2.gz RWAJDYXCGNKADC-GIJQJNRQSA-N 0 0 421.349 6.223 40 0 HKABRN CCCCCCOc1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 ZINC000003016913 557441964 /nfs/dbraw/zinc/44/19/64/557441964.db2.gz YKYZFFLNBCMEGO-PTGBLXJZSA-N 0 0 405.538 6.288 40 0 HKABRN O=C(Nc1cc2nsnc2cc1Br)c1sc2ccccc2c1Cl ZINC000003020467 568840249 /nfs/dbraw/zinc/84/02/49/568840249.db2.gz ZFTGMBKEMOVPGY-UHFFFAOYSA-N 0 0 424.732 5.574 40 0 HKABRN Clc1ccc(Cl)c(Nc2nc3nonc3nc2Nc2ccccc2Cl)c1 ZINC000003021082 568840368 /nfs/dbraw/zinc/84/03/68/568840368.db2.gz OIPWSGWRTIFWRF-UHFFFAOYSA-N 0 0 407.648 5.460 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)c4cccc(Br)c4)ccc3o2)cc1C ZINC000003025354 557442393 /nfs/dbraw/zinc/44/23/93/557442393.db2.gz ZYDRVJXQYDQWGT-UHFFFAOYSA-N 0 0 421.294 6.126 40 0 HKABRN COc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)cc1Br ZINC000003030249 557442663 /nfs/dbraw/zinc/44/26/63/557442663.db2.gz GSSONFZQADYFQO-UHFFFAOYSA-N 0 0 423.266 5.518 40 0 HKABRN Clc1ccc2oc(-c3cnc(Nc4ccc(Br)cc4)nc3)nc2c1 ZINC000003031042 568844585 /nfs/dbraw/zinc/84/45/85/568844585.db2.gz KEDBVLXERGMYEU-UHFFFAOYSA-N 0 0 401.651 5.444 40 0 HKABRN O=C(c1ccc(Cl)cc1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000003039312 132261863 /nfs/dbraw/zinc/26/18/63/132261863.db2.gz XYCAVZJSSOBFDI-UHFFFAOYSA-N 0 0 405.828 6.802 40 0 HKABRN Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2cccc(Br)c2)cc1 ZINC000003039355 557442999 /nfs/dbraw/zinc/44/29/99/557442999.db2.gz OWXQZFNDUNGMTG-UHFFFAOYSA-N 0 0 407.355 6.091 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)c4cccc(Br)c4)ccc3o2)c(C)c1 ZINC000003042692 568848102 /nfs/dbraw/zinc/84/81/02/568848102.db2.gz FHNVMMYYQOWDTA-UHFFFAOYSA-N 0 0 421.294 6.126 40 0 HKABRN COc1ccc(/C=C2/SC(=O)N(CNc3cc(Cl)ccc3Cl)C2=O)cc1 ZINC000003044195 568848447 /nfs/dbraw/zinc/84/84/47/568848447.db2.gz VAJSZQTVJSGRKJ-LZYBPNLTSA-N 0 0 409.294 5.108 40 0 HKABRN COc1ccc(Br)cc1/C=C1/N=C(c2ccc(C(C)(C)C)cc2)OC1=O ZINC000003052853 560732906 /nfs/dbraw/zinc/73/29/06/560732906.db2.gz DURABQOHCZNJBB-SFQUDFHCSA-N 0 0 414.299 5.100 40 0 HKABRN O=C(C[C@H](Nc1ccccc1)c1ccccc1)C[C@H](Nc1ccccc1)c1ccccc1 ZINC000003057143 568851889 /nfs/dbraw/zinc/85/18/89/568851889.db2.gz MBOMYSAVROKLDC-VMPREFPWSA-N 0 0 420.556 7.043 40 0 HKABRN O=C(C[C@@H](Nc1ccccc1)c1ccccc1)C[C@@H](Nc1ccccc1)c1ccccc1 ZINC000003057145 568851883 /nfs/dbraw/zinc/85/18/83/568851883.db2.gz MBOMYSAVROKLDC-FQLXRVMXSA-N 0 0 420.556 7.043 40 0 HKABRN Cc1ccc(N(C)C(=S)Oc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1C ZINC000003057182 568851798 /nfs/dbraw/zinc/85/17/98/568851798.db2.gz KKAHCGDAELWPQX-UHFFFAOYSA-N 0 0 424.953 6.009 40 0 HKABRN Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2ccc(Br)cc2)c1 ZINC000003060962 568852865 /nfs/dbraw/zinc/85/28/65/568852865.db2.gz YKORZPKYRKYDLI-QFIPXVFZSA-N 0 0 420.350 6.011 40 0 HKABRN Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2ccc(Br)cc2)c1 ZINC000003060964 568852749 /nfs/dbraw/zinc/85/27/49/568852749.db2.gz YKORZPKYRKYDLI-JOCHJYFZSA-N 0 0 420.350 6.011 40 0 HKABRN Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2cccc(Br)c2)c1 ZINC000003061671 568852863 /nfs/dbraw/zinc/85/28/63/568852863.db2.gz PBKWVVXTHNFSBI-QFIPXVFZSA-N 0 0 420.350 6.011 40 0 HKABRN Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2cccc(Br)c2)c1 ZINC000003061673 568852776 /nfs/dbraw/zinc/85/27/76/568852776.db2.gz PBKWVVXTHNFSBI-JOCHJYFZSA-N 0 0 420.350 6.011 40 0 HKABRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1Cl)C1c3ccccc3C2c2ccccc21 ZINC000003063048 569024490 /nfs/dbraw/zinc/02/44/90/569024490.db2.gz CFJNYPHLTGIGOE-LIKPIUCQSA-N 0 0 420.295 5.390 40 0 HKABRN O=C(N[C@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl)OCc1ccccc1 ZINC000003065289 568853267 /nfs/dbraw/zinc/85/32/67/568853267.db2.gz JACRQPMNCLCOPA-SFHVURJKSA-N 0 0 423.727 5.874 40 0 HKABRN O=C(N[C@@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl)OCc1ccccc1 ZINC000003065291 568853308 /nfs/dbraw/zinc/85/33/08/568853308.db2.gz JACRQPMNCLCOPA-GOSISDBHSA-N 0 0 423.727 5.874 40 0 HKABRN O=C(NC(=S)N(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000003066348 568853394 /nfs/dbraw/zinc/85/33/94/568853394.db2.gz ZATCCBJYKDGOEE-UHFFFAOYSA-N 0 0 401.318 5.846 40 0 HKABRN Cc1ccc(C(=O)C[C@H](Nc2ccc(F)cc2)c2ccc(Br)cc2)cc1 ZINC000003067984 568853466 /nfs/dbraw/zinc/85/34/66/568853466.db2.gz ZRHMDNZMOQXHDS-NRFANRHFSA-N 0 0 412.302 6.323 40 0 HKABRN Cc1ccc(C(=O)C[C@@H](Nc2ccc(F)cc2)c2ccc(Br)cc2)cc1 ZINC000003067985 568853366 /nfs/dbraw/zinc/85/33/66/568853366.db2.gz ZRHMDNZMOQXHDS-OAQYLSRUSA-N 0 0 412.302 6.323 40 0 HKABRN O=C(Nc1cccc(NC(=O)c2cccc3ccccc32)c1)c1ccccc1Cl ZINC000003068825 557444613 /nfs/dbraw/zinc/44/46/13/557444613.db2.gz IHMJGJRJVJEBAA-UHFFFAOYSA-N 0 0 400.865 5.998 40 0 HKABRN Cc1ccc(C2=N/C(=C/c3c(OCc4ccccc4)ccc4ccccc43)C(=O)O2)cc1 ZINC000003073059 560886321 /nfs/dbraw/zinc/88/63/21/560886321.db2.gz OHJSVQIYUJVIDV-KOEQRZSOSA-N 0 0 419.480 6.072 40 0 HKABRN O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)c(Cl)c1)c1cccc(Cl)c1 ZINC000003074549 568853915 /nfs/dbraw/zinc/85/39/15/568853915.db2.gz DRFDVYHVNWVKNM-UHFFFAOYSA-N 0 0 419.695 6.151 40 0 HKABRN O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2)c(Cl)c1)c1ccc(Cl)cc1 ZINC000003076686 568853914 /nfs/dbraw/zinc/85/39/14/568853914.db2.gz IAAKTROZCSKRMU-UHFFFAOYSA-N 0 0 419.695 6.151 40 0 HKABRN Clc1ccc(-c2nc(Nc3cccc4ccccc43)sc2-c2ccccc2)cc1 ZINC000003079567 568854027 /nfs/dbraw/zinc/85/40/27/568854027.db2.gz KOTSFXOHOOZJME-UHFFFAOYSA-N 0 0 412.945 8.027 40 0 HKABRN O=C(COC(=O)c1ccc(CSc2ccc3ccccc3c2)cc1)c1ccccc1 ZINC000003080547 568854331 /nfs/dbraw/zinc/85/43/31/568854331.db2.gz SJXSDIOPLAINOL-UHFFFAOYSA-N 0 0 412.510 6.172 40 0 HKABRN CCOc1ccc(NC(=O)c2cccc(OC(=S)NCCCC(C)C)c2)cc1 ZINC000003081556 568854333 /nfs/dbraw/zinc/85/43/33/568854333.db2.gz CGJTXPWWJWPMKK-UHFFFAOYSA-N 0 0 400.544 5.027 40 0 HKABRN O=C(Nc1ccc(Sc2ccc(NC(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000003084518 568854310 /nfs/dbraw/zinc/85/43/10/568854310.db2.gz AKAAXIZBQZGOHB-UHFFFAOYSA-N 0 0 424.525 6.342 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000003092842 568854637 /nfs/dbraw/zinc/85/46/37/568854637.db2.gz NCGMCWNKMNVRSI-UHFFFAOYSA-N 0 0 404.680 6.130 40 0 HKABRN CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000003094679 568854990 /nfs/dbraw/zinc/85/49/90/568854990.db2.gz URBYKDPIYKXNHM-UHFFFAOYSA-N 0 0 422.337 5.898 40 0 HKABRN O=C(COc1ccc(C2CCCCC2)cc1)OCc1ccc(Br)cc1 ZINC000003095291 557446024 /nfs/dbraw/zinc/44/60/24/557446024.db2.gz RVSZYSGVKBESGZ-UHFFFAOYSA-N 0 0 403.316 5.619 40 0 HKABRN O=C(Nc1ccccc1)c1ccc(Oc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000003097270 557446257 /nfs/dbraw/zinc/44/62/57/557446257.db2.gz HSCNWQLRONQATQ-UHFFFAOYSA-N 0 0 408.457 5.984 40 0 HKABRN CC(C)(c1ccccc1)c1ccc(OCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000003097297 557446300 /nfs/dbraw/zinc/44/63/00/557446300.db2.gz HFYHZXFLDDPPEE-UHFFFAOYSA-N 0 0 422.908 5.471 40 0 HKABRN O=C(Nc1ccccc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000003097399 568855191 /nfs/dbraw/zinc/85/51/91/568855191.db2.gz IKHAFPQWFOOGLK-UHFFFAOYSA-N 0 0 401.469 6.216 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1c2c(sc1NC(=O)c1cccnc1)CCCC2 ZINC000003100240 569024505 /nfs/dbraw/zinc/02/45/05/569024505.db2.gz UZAMCDIGLCAWFF-UHFFFAOYSA-N 0 0 411.914 5.180 40 0 HKABRN CCCC[C@@H](CC)C(=O)Nc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000003101100 568855398 /nfs/dbraw/zinc/85/53/98/568855398.db2.gz FTODWQSDDJEIDC-OAQYLSRUSA-N 0 0 414.549 6.820 40 0 HKABRN CCCC[C@H](CC)C(=O)Nc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000003101101 568855306 /nfs/dbraw/zinc/85/53/06/568855306.db2.gz FTODWQSDDJEIDC-NRFANRHFSA-N 0 0 414.549 6.820 40 0 HKABRN Cc1nn(-c2ccccc2)c2c1C1=Nc3ccccc3N=CC1[C@H](c1ccccc1)C2 ZINC000003102241 568855535 /nfs/dbraw/zinc/85/55/35/568855535.db2.gz UXCSUZHGYXTWFY-NRFANRHFSA-N 0 0 402.501 6.060 40 0 HKABRN Cc1nn(-c2ccccc2)c2c1C1=Nc3ccccc3N=CC1[C@@H](c1ccccc1)C2 ZINC000003102242 568855522 /nfs/dbraw/zinc/85/55/22/568855522.db2.gz UXCSUZHGYXTWFY-OAQYLSRUSA-N 0 0 402.501 6.060 40 0 HKABRN O=C(N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl ZINC000003106841 568855913 /nfs/dbraw/zinc/85/59/13/568855913.db2.gz HEEWLFGIMHSXCF-CQSZACIVSA-N 0 0 412.531 5.532 40 0 HKABRN O=C(N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl ZINC000003106842 568855898 /nfs/dbraw/zinc/85/58/98/568855898.db2.gz HEEWLFGIMHSXCF-AWEZNQCLSA-N 0 0 412.531 5.532 40 0 HKABRN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)oc2c(C)c1 ZINC000003108873 568856065 /nfs/dbraw/zinc/85/60/65/568856065.db2.gz XGVVIDARQGFLCU-UHFFFAOYSA-N 0 0 411.288 6.671 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000003109490 568856071 /nfs/dbraw/zinc/85/60/71/568856071.db2.gz QTEPEFHLDWPLND-UHFFFAOYSA-N 0 0 402.346 6.846 40 0 HKABRN ClC1=C(Cl)[C@@]2(Cl)C(c3ccccc3)=C(c3ccccc3)[C@@H]1C2(Cl)Cl ZINC000003127966 557449267 /nfs/dbraw/zinc/44/92/67/557449267.db2.gz JMLMIYNEEGMNER-YJBOKZPZSA-N 0 0 416.562 7.082 40 0 HKABRN CC(C)(c1cc(Cl)c(OC#N)c(Cl)c1)c1cc(Cl)c(OC#N)c(Cl)c1 ZINC000003130302 560635344 /nfs/dbraw/zinc/63/53/44/560635344.db2.gz YKONYNBAMHVIMF-UHFFFAOYSA-N 0 0 416.091 6.346 40 0 HKABRN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000003130905 535097348 /nfs/dbraw/zinc/09/73/48/535097348.db2.gz NQKCINHROVQYPE-UHFFFAOYSA-N 0 0 403.981 6.755 40 0 HKABRN COc1cc2c(cc1NC(=O)Nc1ccc(Cl)c(Cl)c1)oc1ccccc12 ZINC000003135806 568857843 /nfs/dbraw/zinc/85/78/43/568857843.db2.gz JDEJPDSRBOAOGN-UHFFFAOYSA-N 0 0 401.249 6.545 40 0 HKABRN COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000003135899 568858006 /nfs/dbraw/zinc/85/80/06/568858006.db2.gz BCVNAIJHXJNIIQ-UHFFFAOYSA-N 0 0 409.873 5.553 40 0 HKABRN COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)Nc1cccc(Cl)c1 ZINC000003135903 560637310 /nfs/dbraw/zinc/63/73/10/560637310.db2.gz CJAGWQPXZOVHQW-UHFFFAOYSA-N 0 0 409.873 5.553 40 0 HKABRN c1cc2ccc1CCc1ccc(cc1)C1C2C2c3ccc(cc3)CCc3ccc(cc3)C12 ZINC000003137241 557450314 /nfs/dbraw/zinc/45/03/14/557450314.db2.gz WXDMQYNEIVKAII-UHFFFAOYSA-N 0 0 412.576 7.332 40 0 HKABRN O=C(Cc1ccccc1)c1ccc(Oc2ccc(C(=O)Cc3ccccc3)cc2)cc1 ZINC000003139470 569284398 /nfs/dbraw/zinc/28/43/98/569284398.db2.gz PPXFJRGFGMRFLQ-UHFFFAOYSA-N 0 0 406.481 6.330 40 0 HKABRN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccccc1Br ZINC000003139956 560733433 /nfs/dbraw/zinc/73/34/33/560733433.db2.gz HWXHKCUIOUMHFZ-UHFFFAOYSA-N 0 0 409.308 5.978 40 0 HKABRN O=C(Nc1ccc2ccccc2c1)c1cocc1C(=O)Nc1ccc2ccccc2c1 ZINC000003145037 557451092 /nfs/dbraw/zinc/45/10/92/557451092.db2.gz INBSVQHLYBDMNX-UHFFFAOYSA-N 0 0 406.441 6.091 40 0 HKABRN CCCCOc1ccc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 ZINC000003145051 568858207 /nfs/dbraw/zinc/85/82/07/568858207.db2.gz JVXSLUZWMSGZEW-UHFFFAOYSA-N 0 0 417.549 6.209 40 0 HKABRN O=C(Nc1cccc(O)c1)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000003146421 557451245 /nfs/dbraw/zinc/45/12/45/557451245.db2.gz UOGVJPSXVXNUOH-UHFFFAOYSA-N 0 0 422.484 5.415 40 0 HKABRN C/C=C/C=C/C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 ZINC000003146599 557451375 /nfs/dbraw/zinc/45/13/75/557451375.db2.gz YJCXAHVXXZAZAK-QTEKZCJASA-N 0 0 424.456 5.350 40 0 HKABRN O=C(NCCCNC(=O)Nc1cccc2ccccc21)Nc1cccc2ccccc21 ZINC000003147084 568858139 /nfs/dbraw/zinc/85/81/39/568858139.db2.gz QHVVTLYNSGPEGE-UHFFFAOYSA-N 0 0 412.493 5.326 40 0 HKABRN CCCCCCC(=O)N[C@H](Sc1nc2ccccc2o1)C(Cl)(Cl)Cl ZINC000003148802 568858417 /nfs/dbraw/zinc/85/84/17/568858417.db2.gz XLYLPEPDCRFONC-CQSZACIVSA-N 0 0 409.766 5.703 40 0 HKABRN CCCCCCC(=O)N[C@@H](Sc1nc2ccccc2o1)C(Cl)(Cl)Cl ZINC000003148803 568858401 /nfs/dbraw/zinc/85/84/01/568858401.db2.gz XLYLPEPDCRFONC-AWEZNQCLSA-N 0 0 409.766 5.703 40 0 HKABRN COc1ccccc1NC(=O)Nc1ccc(C)c(NC(=O)Nc2ccccc2OC)c1 ZINC000003154878 568858643 /nfs/dbraw/zinc/85/86/43/568858643.db2.gz OOJKVRHDQXRIHY-UHFFFAOYSA-N 0 0 420.469 5.300 40 0 HKABRN CCCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000003158146 568858710 /nfs/dbraw/zinc/85/87/10/568858710.db2.gz CLNXQQQSJMXFRT-HDLCADABSA-N 0 0 423.512 5.262 40 0 HKABRN CCCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000003158147 568858606 /nfs/dbraw/zinc/85/86/06/568858606.db2.gz CLNXQQQSJMXFRT-CVQXOBEKSA-N 0 0 423.512 5.262 40 0 HKABRN CCCCCCC(=O)Nc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000003162711 568858849 /nfs/dbraw/zinc/85/88/49/568858849.db2.gz SRIJVDOWQKUVHZ-UHFFFAOYSA-N 0 0 400.522 6.574 40 0 HKABRN O=C(Nc1nc2ccccc2s1)N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl ZINC000003165236 568858967 /nfs/dbraw/zinc/85/89/67/568858967.db2.gz XKSXPADHFPFQKW-ZDUSSCGKSA-N 0 0 416.717 5.193 40 0 HKABRN O=C(Nc1nc2ccccc2s1)N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl ZINC000003165239 568858963 /nfs/dbraw/zinc/85/89/63/568858963.db2.gz XKSXPADHFPFQKW-CYBMUJFWSA-N 0 0 416.717 5.193 40 0 HKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)nc2c(C)c1 ZINC000003166015 560733308 /nfs/dbraw/zinc/73/33/08/560733308.db2.gz VDSQKZKXHJGSRX-UHFFFAOYSA-N 0 0 410.351 5.347 40 0 HKABRN CC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)c3c2[C@@H]2CC[C@@]3(C)C2(C)C)cc1 ZINC000003166420 560588521 /nfs/dbraw/zinc/58/85/21/560588521.db2.gz GIDULPZDMIBFIE-RXFWQSSRSA-N 0 0 413.521 5.502 40 0 HKABRN CC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)c3c2[C@H]2CC[C@]3(C)C2(C)C)cc1 ZINC000003166422 560588501 /nfs/dbraw/zinc/58/85/01/560588501.db2.gz GIDULPZDMIBFIE-IBVKSMDESA-N 0 0 413.521 5.502 40 0 HKABRN CC1(C)[C@@H]2CC[C@@]1(C)c1c2c(C(=O)Nc2ccc3ccccc3c2)nn1-c1ccccc1 ZINC000003166489 557452368 /nfs/dbraw/zinc/45/23/68/557452368.db2.gz GKLCNHNCVRIBJJ-DFHRPNOPSA-N 0 0 421.544 6.453 40 0 HKABRN Cc1cccc(C)c1NC(=O)NC[C@H]1C[C@@H](NC(=O)Nc2c(C)cccc2C)C1(C)C ZINC000003171919 568476502 /nfs/dbraw/zinc/47/65/02/568476502.db2.gz XTUGKZFYRKYJNY-WOJBJXKFSA-N 0 0 422.573 5.278 40 0 HKABRN Cc1cccc(C)c1NC(=O)NC[C@@H]1C[C@@H](NC(=O)Nc2c(C)cccc2C)C1(C)C ZINC000003171922 568859515 /nfs/dbraw/zinc/85/95/15/568859515.db2.gz XTUGKZFYRKYJNY-VQTJNVASSA-N 0 0 422.573 5.278 40 0 HKABRN Cc1cccc(C)c1NC(=O)NC[C@H]1C[C@H](NC(=O)Nc2c(C)cccc2C)C1(C)C ZINC000003171924 568476517 /nfs/dbraw/zinc/47/65/17/568476517.db2.gz XTUGKZFYRKYJNY-UXHICEINSA-N 0 0 422.573 5.278 40 0 HKABRN Cc1cccc(C)c1NC(=O)NC[C@@H]1C[C@H](NC(=O)Nc2c(C)cccc2C)C1(C)C ZINC000003171926 568859476 /nfs/dbraw/zinc/85/94/76/568859476.db2.gz XTUGKZFYRKYJNY-PMACEKPBSA-N 0 0 422.573 5.278 40 0 HKABRN Brc1cccc(Oc2cccc(Oc3cccc(Br)c3)c2)c1 ZINC000003172303 568859730 /nfs/dbraw/zinc/85/97/30/568859730.db2.gz HONAMWKAGCGSSQ-UHFFFAOYSA-N 0 0 420.100 6.796 40 0 HKABRN Cc1nnc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)n1-c1ccc(C)cc1 ZINC000003177366 568859844 /nfs/dbraw/zinc/85/98/44/568859844.db2.gz XPXSRJZJUFDNTC-UHFFFAOYSA-N 0 0 401.513 6.885 40 0 HKABRN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000003190470 560733441 /nfs/dbraw/zinc/73/34/41/560733441.db2.gz QDZHVDJQQFUSJT-OKHMJZBSSA-N 0 0 415.492 5.411 40 0 HKABRN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000003190472 560733407 /nfs/dbraw/zinc/73/34/07/560733407.db2.gz QDZHVDJQQFUSJT-FPWWFTSNSA-N 0 0 415.492 5.411 40 0 HKABRN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000003190474 560733459 /nfs/dbraw/zinc/73/34/59/560733459.db2.gz QDZHVDJQQFUSJT-PAHSPFOQSA-N 0 0 415.492 5.411 40 0 HKABRN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000003190476 560733448 /nfs/dbraw/zinc/73/34/48/560733448.db2.gz QDZHVDJQQFUSJT-NSIFAMOJSA-N 0 0 415.492 5.411 40 0 HKABRN CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000003193867 557455035 /nfs/dbraw/zinc/45/50/35/557455035.db2.gz PMUMPHIQERAJKA-UHFFFAOYSA-N 0 0 414.332 6.337 40 0 HKABRN CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000003193871 568860942 /nfs/dbraw/zinc/86/09/42/568860942.db2.gz QOOMFHHVBAZDHF-UHFFFAOYSA-N 0 0 414.332 6.337 40 0 HKABRN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1NC(=O)c1ccccc1 ZINC000003195684 557455269 /nfs/dbraw/zinc/45/52/69/557455269.db2.gz FBORWYQNJAPBIG-UHFFFAOYSA-N 0 0 407.882 5.454 40 0 HKABRN Cc1ccc(-c2ccc(OC(=O)c3ccccc3I)cc2)cc1 ZINC000003195806 557455280 /nfs/dbraw/zinc/45/52/80/557455280.db2.gz HCXLAYZRUSSHGQ-UHFFFAOYSA-N 0 0 414.242 5.486 40 0 HKABRN CC(C)(C)C(=O)C(SC(=S)C1CCCCC1)SC(=S)C1CCCCC1 ZINC000003204375 568846135 /nfs/dbraw/zinc/84/61/35/568846135.db2.gz MRHZIRZKVNZGCJ-UHFFFAOYSA-N 0 0 416.743 7.210 40 0 HKABRN Cc1cccc2oc(-c3ccc(C)c(NC(=O)c4cc(Cl)ccc4Cl)c3)nc21 ZINC000003208207 568861814 /nfs/dbraw/zinc/86/18/14/568861814.db2.gz KFQLRLDVIAXHBJ-UHFFFAOYSA-N 0 0 411.288 6.671 40 0 HKABRN CCCCc1ccc(-c2nnc(NC(=O)c3ccc(Br)cc3)s2)cc1 ZINC000003208359 568846566 /nfs/dbraw/zinc/84/65/66/568846566.db2.gz BCFCTRRHJWGYDM-UHFFFAOYSA-N 0 0 416.344 5.563 40 0 HKABRN CCCc1nc2c(c(-c3ccccc3)nn2-c2ccccc2)c2cc(OC)c(OC)cc21 ZINC000003209348 568861836 /nfs/dbraw/zinc/86/18/36/568861836.db2.gz BXLLZPQLMMAEDP-UHFFFAOYSA-N 0 0 423.516 6.210 40 0 HKABRN CSc1nnc2c(n1)O[C@](C)(c1ccc(-c3ccccc3)cc1)Nc1ccccc1-2 ZINC000003211823 568846642 /nfs/dbraw/zinc/84/66/42/568846642.db2.gz ZFYCAXWEPACNFW-XMMPIXPASA-N 0 0 412.518 5.605 40 0 HKABRN O=c1c2ccccc2nc(/C=C/C=C/c2ccccc2)n1-c1cccc(C(F)(F)F)c1 ZINC000003212722 568862195 /nfs/dbraw/zinc/86/21/95/568862195.db2.gz WRWKVLBLRDKWCT-YHRDUSGESA-N 0 0 418.418 6.131 40 0 HKABRN Cc1ccc(C(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 ZINC000003226315 560886651 /nfs/dbraw/zinc/88/66/51/560886651.db2.gz PVJWYHPDWPNFJZ-UHFFFAOYSA-N 0 0 409.294 5.239 40 0 HKABRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1c2ccccc2nc2c1CCCC2 ZINC000003229095 560589982 /nfs/dbraw/zinc/58/99/82/560589982.db2.gz CJXLAZCJVZXDAK-IXFSTUDKSA-N 0 0 423.553 5.274 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)CSc3nc4ccccc4s3)ccc21 ZINC000003247875 560733486 /nfs/dbraw/zinc/73/34/86/560733486.db2.gz HFZNMGMJFFBWLP-UHFFFAOYSA-N 0 0 417.559 6.155 40 0 HKABRN COc1ccccc1Cn1c(-c2ccc(F)cc2)cs/c1=N\c1cccc(C)c1C ZINC000003257045 560590704 /nfs/dbraw/zinc/59/07/04/560590704.db2.gz VOODRDDKCXELAZ-RFBIWTDZSA-N 0 0 418.537 6.262 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)c3ccccc3n2)cc1 ZINC000003259824 568849130 /nfs/dbraw/zinc/84/91/30/568849130.db2.gz JYFJHQDZSMHATI-UHFFFAOYSA-N 0 0 407.300 6.769 40 0 HKABRN COc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2Cc2ccccc2OC)cc1 ZINC000003261359 560886880 /nfs/dbraw/zinc/88/68/80/560886880.db2.gz QXKUJZUJZKZIJP-LCUIJRPUSA-N 0 0 420.509 5.654 40 0 HKABRN COc1ccc(-c2csc(NC(=O)c3cc(Cl)cc(Cl)c3OC)n2)cc1 ZINC000003268320 557465921 /nfs/dbraw/zinc/46/59/21/557465921.db2.gz SHJCSQANMAUJDX-UHFFFAOYSA-N 0 0 409.294 5.386 40 0 HKABRN O=C(Nc1nc2ccc(NC(=O)c3ccccc3F)cc2s1)c1ccccc1F ZINC000003268675 560733487 /nfs/dbraw/zinc/73/34/87/560733487.db2.gz GXTKSOUPDHNQSP-UHFFFAOYSA-N 0 0 409.417 5.079 40 0 HKABRN O=C(COc1ccc(Br)cc1Cl)NCc1ccc(Cl)cc1Cl ZINC000003445005 557486766 /nfs/dbraw/zinc/48/67/66/557486766.db2.gz VNDUWNFTIXRFJM-UHFFFAOYSA-N 0 0 423.521 5.105 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCCCC2)cc1 ZINC000003448899 132266265 /nfs/dbraw/zinc/26/62/65/132266265.db2.gz RSSLGNWXBBAVKN-UHFFFAOYSA-N 0 0 409.382 5.856 40 0 HKABRN O=C(COc1ccc(Cl)cc1Br)NCc1ccc(Cl)cc1Cl ZINC000003510343 557490324 /nfs/dbraw/zinc/49/03/24/557490324.db2.gz NMXZGERDGDSUMZ-UHFFFAOYSA-N 0 0 423.521 5.105 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)COC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4)ccc21 ZINC000003525310 560596138 /nfs/dbraw/zinc/59/61/38/560596138.db2.gz LGDNQEAWHIVSPJ-KSZLIROESA-N 0 0 404.510 5.122 40 0 HKABRN c1cncc(-c2nc3cc(Cc4ccc5[nH]c(-c6cccnc6)nc5c4)ccc3[nH]2)c1 ZINC000003583996 557493821 /nfs/dbraw/zinc/49/38/21/557493821.db2.gz FJIAQUVDRLYTNG-UHFFFAOYSA-N 0 0 402.461 5.154 40 0 HKABRN O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000003588450 568917999 /nfs/dbraw/zinc/91/79/99/568917999.db2.gz RGKLZUHRUNUXFX-UHFFFAOYSA-N 0 0 420.365 5.421 40 0 HKABRN CCCCCC[C@@H](C)c1ccccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000003633225 557495473 /nfs/dbraw/zinc/49/54/73/557495473.db2.gz ZMUKFOGGEIEQIC-OAHLLOKOSA-N 0 0 415.382 6.835 40 0 HKABRN O=C1OC(c2cccc3ccccc32)=N/C1=C/c1cccc(OCc2ccccc2)c1 ZINC000003663211 568923987 /nfs/dbraw/zinc/92/39/87/568923987.db2.gz MEMVVNOAVPCWLM-KOEQRZSOSA-N 0 0 405.453 5.763 40 0 HKABRN Clc1ccc(Oc2sc(Nc3ccccc3Cl)nc2-c2ccccc2)cc1 ZINC000003666510 568924463 /nfs/dbraw/zinc/92/44/63/568924463.db2.gz YFMVUTSEKSRGSI-UHFFFAOYSA-N 0 0 413.329 7.653 40 0 HKABRN O=C(Nc1nnc(Cc2c[nH]c3ccccc23)s1)c1ccc(Cl)c(Cl)c1 ZINC000003669247 560734121 /nfs/dbraw/zinc/73/41/21/560734121.db2.gz MXTPIZIPYKYBTG-UHFFFAOYSA-N 0 0 403.294 5.169 40 0 HKABRN O=C(NCCOc1ccccc1)c1cc(-c2ccccc2)nc2c(Cl)cccc12 ZINC000003669899 568924576 /nfs/dbraw/zinc/92/45/76/568924576.db2.gz DFDXODPACDXAMH-UHFFFAOYSA-N 0 0 402.881 5.364 40 0 HKABRN CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000003765488 557498216 /nfs/dbraw/zinc/49/82/16/557498216.db2.gz XXIZMDHZIPNLEO-QFIPXVFZSA-N 0 0 410.304 5.921 40 0 HKABRN CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000003765489 557498356 /nfs/dbraw/zinc/49/83/56/557498356.db2.gz XXIZMDHZIPNLEO-JOCHJYFZSA-N 0 0 410.304 5.921 40 0 HKABRN O=C1S/C(=C\c2cccc(Cl)c2Cl)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000003765804 568926200 /nfs/dbraw/zinc/92/62/00/568926200.db2.gz HKAUSOFOALCCLX-MLPAPPSSSA-N 0 0 419.116 6.541 40 0 HKABRN CCOc1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000003769226 568926070 /nfs/dbraw/zinc/92/60/70/568926070.db2.gz XDWBUTUUYSHUFP-LICLKQGHSA-N 0 0 408.306 5.629 40 0 HKABRN C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(Nc4ccc(F)cc4)nc3[C@@H](C)[C@H]21 ZINC000003839891 291295877 /nfs/dbraw/zinc/29/58/77/291295877.db2.gz KLOVLUHONZMRDN-CXWDKBBJSA-N 0 0 400.519 5.279 40 0 biogenic,in-vitro HKABRN COc1ccc(C(=O)[C@@H](C)c2ccc(OCc3ccccc3)cc2OC)cc1OC ZINC000003843467 557500026 /nfs/dbraw/zinc/50/00/26/557500026.db2.gz XNDMXYBXXHBRPH-KRWDZBQOSA-N 0 0 406.478 5.278 40 0 HKABRN COc1ccc(C(=O)[C@H](C)c2ccc(OCc3ccccc3)cc2OC)cc1OC ZINC000003843468 557499981 /nfs/dbraw/zinc/49/99/81/557499981.db2.gz XNDMXYBXXHBRPH-QGZVFWFLSA-N 0 0 406.478 5.278 40 0 HKABRN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](C5(C)OCCO5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000003843736 557499985 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MSZCLYCQZRSVME-QZTJIDSGSA-N 0 0 404.466 6.306 40 0 HKABRN C[C@H](OC(=O)Nc1ccccc1)c1cccc([C@H](C)OC(=O)Nc2ccccc2)c1 ZINC000003844732 557500020 /nfs/dbraw/zinc/50/00/20/557500020.db2.gz MSZCLYCQZRSVME-ROUUACIJSA-N 0 0 404.466 6.306 40 0 HKABRN O=C(N/C(=C(\NC(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000003844955 557499957 /nfs/dbraw/zinc/49/99/57/557499957.db2.gz FLXYELUYMMEJHD-QPLCGJKRSA-N 0 0 418.496 5.372 40 0 HKABRN O=C(Nc1ccccc1)OCCc1cccc(CCOC(=O)Nc2ccccc2)c1 ZINC000003845291 557500307 /nfs/dbraw/zinc/50/03/07/557500307.db2.gz CGUYTWUUWSVDMF-UHFFFAOYSA-N 0 0 404.466 5.269 40 0 HKABRN COC(=O)c1c2cc(/C=C/c3ccccc3)c(NC(C)=O)cc2[nH]c1-c1ccccc1 ZINC000003845333 557500392 /nfs/dbraw/zinc/50/03/92/557500392.db2.gz YITBKNJSYPMJNL-BUHFOSPRSA-N 0 0 410.473 5.750 40 0 HKABRN CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000003845372 557500410 /nfs/dbraw/zinc/50/04/10/557500410.db2.gz RDWRBYXTTMJESU-BXTSTYNKSA-N 0 0 409.573 5.962 40 0 HKABRN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000003845373 557500265 /nfs/dbraw/zinc/50/02/65/557500265.db2.gz RDWRBYXTTMJESU-SKVJQKLOSA-N 0 0 409.573 5.962 40 0 HKABRN O=NN(CC(c1ccccc1)c1ccccc1)CC(c1ccccc1)c1ccccc1 ZINC000003846222 557500416 /nfs/dbraw/zinc/50/04/16/557500416.db2.gz ZIJNAHDIBMEJTE-UHFFFAOYSA-N 0 0 406.529 6.634 40 0 HKABRN CC(=O)[C@@H](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(c1ccccc1)c1ccccc1 ZINC000003846274 557500390 /nfs/dbraw/zinc/50/03/90/557500390.db2.gz PBSTWIYTCPQRBP-NTMFSWBNSA-N 0 0 406.566 6.028 40 0 HKABRN CC(=O)[C@@H](C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(c1ccccc1)c1ccccc1 ZINC000003846275 557500383 /nfs/dbraw/zinc/50/03/83/557500383.db2.gz PBSTWIYTCPQRBP-ZPOKTZCFSA-N 0 0 406.566 6.028 40 0 HKABRN CC(=O)[C@@H](C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(c1ccccc1)c1ccccc1 ZINC000003846276 557500360 /nfs/dbraw/zinc/50/03/60/557500360.db2.gz PBSTWIYTCPQRBP-HEGQMBHGSA-N 0 0 406.566 6.028 40 0 HKABRN CC(=O)[C@@H](C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)C(c1ccccc1)c1ccccc1 ZINC000003846277 557500284 /nfs/dbraw/zinc/50/02/84/557500284.db2.gz PBSTWIYTCPQRBP-JNSABCDYSA-N 0 0 406.566 6.028 40 0 HKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=CCc1ccccc1)C(=O)c1ccccc1 ZINC000003846290 557500408 /nfs/dbraw/zinc/50/04/08/557500408.db2.gz SQYUSQQNCYCPRO-AYFBCLGWSA-N 0 0 404.550 6.203 40 0 HKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C(=CCc1ccccc1)C(=O)c1ccccc1 ZINC000003846291 557500301 /nfs/dbraw/zinc/50/03/01/557500301.db2.gz SQYUSQQNCYCPRO-LNNULPDSSA-N 0 0 404.550 6.203 40 0 HKABRN CC(=O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000003846394 557500399 /nfs/dbraw/zinc/50/03/99/557500399.db2.gz CEWZSUATUWEZOK-LPPUWEFUSA-N 0 0 420.593 6.051 40 0 HKABRN CC(=O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000003846395 557500295 /nfs/dbraw/zinc/50/02/95/557500295.db2.gz CEWZSUATUWEZOK-RMUDUWAUSA-N 0 0 420.593 6.051 40 0 HKABRN CC(=O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000003846396 557500402 /nfs/dbraw/zinc/50/04/02/557500402.db2.gz CEWZSUATUWEZOK-QGUKFAFCSA-N 0 0 420.593 6.051 40 0 HKABRN CC(=O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000003846397 557500331 /nfs/dbraw/zinc/50/03/31/557500331.db2.gz CEWZSUATUWEZOK-OUIFVKKZSA-N 0 0 420.593 6.051 40 0 HKABRN CC[C@](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)(C(=O)c1ccccc1)c1ccccc1 ZINC000003846426 557500326 /nfs/dbraw/zinc/50/03/26/557500326.db2.gz WIASCYIKGZAQQR-ZCIWVVNKSA-N 0 0 406.566 6.221 40 0 HKABRN CC[C@@](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)(C(=O)c1ccccc1)c1ccccc1 ZINC000003846427 557500369 /nfs/dbraw/zinc/50/03/69/557500369.db2.gz WIASCYIKGZAQQR-PKDYZCKRSA-N 0 0 406.566 6.221 40 0 HKABRN CC[C@](C(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)(C(=O)c1ccccc1)c1ccccc1 ZINC000003846428 557500406 /nfs/dbraw/zinc/50/04/06/557500406.db2.gz WIASCYIKGZAQQR-UODYQJQCSA-N 0 0 406.566 6.221 40 0 HKABRN CC[C@@](C(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)(C(=O)c1ccccc1)c1ccccc1 ZINC000003846429 557500279 /nfs/dbraw/zinc/50/02/79/557500279.db2.gz WIASCYIKGZAQQR-WFRMBSLRSA-N 0 0 406.566 6.221 40 0 HKABRN COc1ccc(C2=Nc3ccc(Cl)cc3S[C@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000003846935 557500508 /nfs/dbraw/zinc/50/05/08/557500508.db2.gz XSETVWUFSABLID-QHCPKHFHSA-N 0 0 422.981 6.715 40 0 HKABRN COc1ccc(C2=Nc3ccc(Cl)cc3S[C@@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000003846936 557500473 /nfs/dbraw/zinc/50/04/73/557500473.db2.gz XSETVWUFSABLID-HSZRJFAPSA-N 0 0 422.981 6.715 40 0 HKABRN COc1ccc(C2=Nc3ccc(C)cc3S[C@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000003846937 557500549 /nfs/dbraw/zinc/50/05/49/557500549.db2.gz PQIBVOSMZXTCRM-DEOSSOPVSA-N 0 0 402.563 6.370 40 0 HKABRN COc1ccc(C2=Nc3ccc(C)cc3S[C@@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000003846938 557500555 /nfs/dbraw/zinc/50/05/55/557500555.db2.gz PQIBVOSMZXTCRM-XMMPIXPASA-N 0 0 402.563 6.370 40 0 HKABRN COc1ccc(C2=Nc3ccc(OC)cc3S[C@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000003846939 557500596 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CCCC[C@H](CC)COc1ccc(-c2cc(C)c(-c3ccc(OC)cc3)cc2C)cc1 ZINC000003848708 557500640 /nfs/dbraw/zinc/50/06/40/557500640.db2.gz JBRADUSOIBTZII-QHCPKHFHSA-N 0 0 416.605 8.241 40 0 HKABRN COc1ccc(-c2occ(C(=O)c3ccccc3)c2S(=O)(=O)c2ccccc2)cc1 ZINC000003849341 557500835 /nfs/dbraw/zinc/50/08/35/557500835.db2.gz SYJLGPIYZAQOCE-UHFFFAOYSA-N 0 0 418.470 5.019 40 0 HKABRN O=C(c1coc(-c2ccc(Cl)cc2)c1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000003849342 557500827 /nfs/dbraw/zinc/50/08/27/557500827.db2.gz HBTAHQNYQRQRBS-UHFFFAOYSA-N 0 0 422.889 5.664 40 0 HKABRN COc1ccc(C2=CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@@H](OC(C)=O)CC[C@H]5[C@H]4CC[C@H]3C2)cc1 ZINC000003850078 557500914 /nfs/dbraw/zinc/50/09/14/557500914.db2.gz KXXIKUQRERCHIS-HPUCLRBXSA-N 0 0 422.609 6.663 40 0 HKABRN COc1ccc(C2=CC[C@]3(C)[C@@H]4CC[C@@]5(C)[C@H](CC[C@@H]5OC(C)=O)[C@H]4CC[C@H]3C2)cc1 ZINC000003850079 557500821 /nfs/dbraw/zinc/50/08/21/557500821.db2.gz KXXIKUQRERCHIS-NPCISQTESA-N 0 0 422.609 6.663 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC(=O)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000003850213 557500906 /nfs/dbraw/zinc/50/09/06/557500906.db2.gz GVAODFIKHWYQPE-CDHICSFHSA-N 0 0 416.646 5.971 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC(=O)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000003850216 557500928 /nfs/dbraw/zinc/50/09/28/557500928.db2.gz GVAODFIKHWYQPE-OCIFRHBVSA-N 0 0 416.646 5.971 40 0 HKABRN CC[C@@H]1[C@@H](c2ccccc2)O[C@](O)(c2ccccc2)[C@H](CC)[C@@]1(O)c1ccccc1 ZINC000003850834 557501049 /nfs/dbraw/zinc/50/10/49/557501049.db2.gz RESUPJVANKPOGK-RFNQJFSXSA-N 0 0 402.534 5.543 40 0 HKABRN CC[C@@H]1[C@@H](c2ccccc2)O[C@@](O)(c2ccccc2)[C@H](CC)[C@@]1(O)c1ccccc1 ZINC000003850837 557501063 /nfs/dbraw/zinc/50/10/63/557501063.db2.gz RESUPJVANKPOGK-ACFIUOAZSA-N 0 0 402.534 5.543 40 0 HKABRN Clc1c2c(c(Cl)c(Cl)c1Cl)OC(c1ccccc1)(c1ccccc1)O2 ZINC000003851936 557501165 /nfs/dbraw/zinc/50/11/65/557501165.db2.gz GGWYAQJLQLNBKP-UHFFFAOYSA-N 0 0 412.099 6.973 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000003852192 569356758 /nfs/dbraw/zinc/35/67/58/569356758.db2.gz ORLULZQEXHRVDY-JPFCIASHSA-N 0 0 412.702 7.945 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000003852194 569356737 /nfs/dbraw/zinc/35/67/37/569356737.db2.gz ORLULZQEXHRVDY-MRGYKMPESA-N 0 0 412.702 7.945 40 0 HKABRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@]2(C)C3=CC[C@@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000003852195 569356892 /nfs/dbraw/zinc/35/68/92/569356892.db2.gz ORLULZQEXHRVDY-PFZFYYTKSA-N 0 0 412.702 7.945 40 0 HKABRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@]2(C)C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000003852197 569356917 /nfs/dbraw/zinc/35/69/17/569356917.db2.gz ORLULZQEXHRVDY-WCKDOIPTSA-N 0 0 412.702 7.945 40 0 HKABRN Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CC2 ZINC000003875982 291297445 /nfs/dbraw/zinc/29/74/45/291297445.db2.gz WGVKWNUPNGFDFJ-RXYILKCJSA-N 0 0 416.690 8.532 40 0 biogenic,in-vitro HKABRN Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)CC2 ZINC000003875983 557502051 /nfs/dbraw/zinc/50/20/51/557502051.db2.gz WGVKWNUPNGFDFJ-PFPZSTESSA-N 0 0 416.690 8.532 40 0 in-vitro HKABRN Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)CC2 ZINC000003875984 557502039 /nfs/dbraw/zinc/50/20/39/557502039.db2.gz WGVKWNUPNGFDFJ-RZIGYZOXSA-N 0 0 416.690 8.532 40 0 in-vitro HKABRN Cc1ccc(C(=O)O/C(=C\c2nc3ccccc3n2CC(C)C)c2ccc(C)cc2)cc1 ZINC000003876456 568928395 /nfs/dbraw/zinc/92/83/95/568928395.db2.gz VTKSRAPALUJOTN-ONUIUJJFSA-N 0 0 424.544 6.664 40 0 HKABRN CC[C@H](/C=C/[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)C(C)C ZINC000003978783 290702100 /nfs/dbraw/zinc/70/21/00/290702100.db2.gz HCXVJBMSMIARIN-FDTSYMMWSA-N 0 0 412.702 7.801 40 0 biogenic,in-vitro HKABRN CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@H]3C[C@@H]2C3(C)C)c(OC)c1 ZINC000003981939 557503891 /nfs/dbraw/zinc/50/38/91/557503891.db2.gz CFMRIVODIXTERW-BDTNDASRSA-N 0 0 414.630 6.630 40 0 in-vitro HKABRN O=C1O[C@@]2(C[C@@H](c3ccccc3)[C@H]3CCCC[C@@]34Nc3ccccc3N42)c2ccccc21 ZINC000003999085 560597221 /nfs/dbraw/zinc/59/72/21/560597221.db2.gz JQKXIOGQANFJIF-DEQMQSMYSA-N 0 0 422.528 6.016 40 0 HKABRN O=C1O[C@@]2(C[C@H](c3ccccc3)[C@H]3CCCC[C@@]34Nc3ccccc3N42)c2ccccc21 ZINC000003999086 560597194 /nfs/dbraw/zinc/59/71/94/560597194.db2.gz JQKXIOGQANFJIF-BIQRORRISA-N 0 0 422.528 6.016 40 0 HKABRN COc1ccc(C2=C[C@@H](c3ccccc3)[C@@H]3CCCC[C@]34Nc3ccccc3N24)cc1 ZINC000003999120 560597213 /nfs/dbraw/zinc/59/72/13/560597213.db2.gz VCIWUKDDAJEZBS-IBGGVINMSA-N 0 0 408.545 6.652 40 0 HKABRN COc1ccc(C2=C[C@@H](c3ccccc3)[C@H]3CCCC[C@]34Nc3ccccc3N24)cc1 ZINC000003999121 560597226 /nfs/dbraw/zinc/59/72/26/560597226.db2.gz VCIWUKDDAJEZBS-VYKTZEHYSA-N 0 0 408.545 6.652 40 0 HKABRN COc1ccc(C2=C[C@@H](c3ccccc3)[C@@H]3CCCC[C@]34Oc3ccccc3N24)cc1 ZINC000003999167 560597223 /nfs/dbraw/zinc/59/72/23/560597223.db2.gz HGGPYRPVMWSYOB-QONNDPFASA-N 0 0 409.529 6.619 40 0 HKABRN COc1ccc(C2=C[C@@H](c3ccccc3)[C@H]3CCCC[C@]34Oc3ccccc3N24)cc1 ZINC000003999168 560597173 /nfs/dbraw/zinc/59/71/73/560597173.db2.gz HGGPYRPVMWSYOB-JPYHZWLXSA-N 0 0 409.529 6.619 40 0 HKABRN O=C1[C@H]2[C@H](C(=O)N1c1cccc(Cl)c1)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000004015810 560892696 /nfs/dbraw/zinc/89/26/96/560892696.db2.gz MOHSVONVIGPRDB-MOUTVQLLSA-N 0 0 413.904 5.583 40 0 HKABRN C[C@@H]1C[C@]2(C)Oc3ccccc3[C@H]3OC[C@]1(COC(=O)NC1CCCCC1)[C@@H](C)[C@H]32 ZINC000004023193 557505620 /nfs/dbraw/zinc/50/56/20/557505620.db2.gz HTEHTVFZNJDZHV-RUPRUHKUSA-N 0 0 413.558 5.246 40 0 HKABRN CC1=C[C@H](C)[C@H](C2OCC3(CO2)COC([C@@H]2[C@H](C)CC(C)=C[C@@H]2C)OC3)[C@H](C)C1 ZINC000004023506 560597180 /nfs/dbraw/zinc/59/71/80/560597180.db2.gz JLEHIYGUDHRGOJ-WYFQLHHQSA-N 0 0 404.591 5.195 40 0 HKABRN CC1=C[C@H](C)[C@H](C2OCC3(CO2)COC([C@H]2[C@@H](C)C=C(C)C[C@@H]2C)OC3)[C@H](C)C1 ZINC000004023507 560597218 /nfs/dbraw/zinc/59/72/18/560597218.db2.gz JLEHIYGUDHRGOJ-JGVKSOMYSA-N 0 0 404.591 5.195 40 0 HKABRN CC1=C[C@@H](C)[C@H](C2OCC3(CO2)COC([C@@H]2[C@H](C)CC(C)=C[C@@H]2C)OC3)[C@H](C)C1 ZINC000004023508 560597201 /nfs/dbraw/zinc/59/72/01/560597201.db2.gz JLEHIYGUDHRGOJ-JTDMKSQHSA-N 0 0 404.591 5.195 40 0 HKABRN CC1=C[C@@H](C)[C@H](C2OCC3(COC([C@@H]4[C@H](C)CC(C)=C[C@@H]4C)OC3)CO2)[C@@H](C)C1 ZINC000004023509 560597177 /nfs/dbraw/zinc/59/71/77/560597177.db2.gz JLEHIYGUDHRGOJ-ZGXAYXEKSA-N 0 0 404.591 5.195 40 0 HKABRN COC(=O)CC[C@H]1C(=C(C)C)CC[C@H](C)[C@]1(C)COc1ccc2ccc(=O)oc2c1 ZINC000004025386 568933931 /nfs/dbraw/zinc/93/39/31/568933931.db2.gz LWKZASDDSMSRFV-ADSMNUKGSA-N 0 0 412.526 5.514 40 0 biogenic HKABRN COc1ccc([C@H]2OC[C@@]3(COC(=O)Nc4ccccc4)[C@H](C)C=C(C)[C@@H]2[C@H]3C)cc1 ZINC000004025681 560597224 /nfs/dbraw/zinc/59/72/24/560597224.db2.gz OGCHLIHOPGTPPY-APIFBRGOSA-N 0 0 421.537 5.850 40 0 HKABRN COc1ccc([C@H]2OC[C@]3(COC(=O)Nc4ccccc4)[C@H](C)[C@H]2C(C)=C[C@@H]3C)cc1 ZINC000004025682 560597219 /nfs/dbraw/zinc/59/72/19/560597219.db2.gz OGCHLIHOPGTPPY-HSSALKBRSA-N 0 0 421.537 5.850 40 0 HKABRN CC1=C[C@@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@H](c3ccc4c(c3)OCO4)[C@@H]1[C@H]2C ZINC000004025923 560597284 /nfs/dbraw/zinc/59/72/84/560597284.db2.gz FSFRMGYTTNBARV-WOMPNOHYSA-N 0 0 420.505 5.178 40 0 HKABRN CC1=C[C@@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]1[C@H]2C ZINC000004025925 557505872 /nfs/dbraw/zinc/50/58/72/557505872.db2.gz FSFRMGYTTNBARV-XYFMFJBZSA-N 0 0 420.505 5.178 40 0 HKABRN CCC(=O)N(CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)[C@@H](C)c1ccccc1 ZINC000004027875 557505781 /nfs/dbraw/zinc/50/57/81/557505781.db2.gz AKAMYEOOALBFQV-GPUOULLFSA-N 0 0 407.598 6.365 40 0 HKABRN CCC(=O)N(CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)[C@@H](C)c1ccccc1 ZINC000004027877 557505761 /nfs/dbraw/zinc/50/57/61/557505761.db2.gz AKAMYEOOALBFQV-TUSQITKMSA-N 0 0 407.598 6.365 40 0 HKABRN CC[C@@]1(C)C[C@H]([C@@H](CCN(Cc2ccccc2)C(C)=O)c2ccc(OC)cc2)CCO1 ZINC000004028184 560597282 /nfs/dbraw/zinc/59/72/82/560597282.db2.gz SJNCWJQRIMYGPD-STXQHDJLSA-N 0 0 423.597 5.813 40 0 HKABRN CC[C@@]1(C)C[C@@H]([C@@H](CCN(Cc2ccccc2)C(C)=O)c2ccc(OC)cc2)CCO1 ZINC000004028186 560597269 /nfs/dbraw/zinc/59/72/69/560597269.db2.gz SJNCWJQRIMYGPD-URORMMCBSA-N 0 0 423.597 5.813 40 0 HKABRN CCCCCCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)OC)cc1OC ZINC000004039452 568934155 /nfs/dbraw/zinc/93/41/55/568934155.db2.gz ZSTQNCMKDNOMDE-FYWRMAATSA-N 0 0 411.498 5.093 40 0 HKABRN CCCCCCOc1ccc(/C=C/C(=O)Nc2c(CC)cccc2CC)cc1OC ZINC000004043403 568934164 /nfs/dbraw/zinc/93/41/64/568934164.db2.gz GWEIZLNPNCMJPV-BMRADRMJSA-N 0 0 409.570 6.431 40 0 HKABRN CC(C)[C@@H](CC(=O)NCC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccco1 ZINC000004046589 560598126 /nfs/dbraw/zinc/59/81/26/560598126.db2.gz ABWOYWSDRKZXNC-XPWALMASSA-N 0 0 411.586 5.905 40 0 HKABRN CC(C)[C@@H](CC(=O)NCC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccco1 ZINC000004046593 560598137 /nfs/dbraw/zinc/59/81/37/560598137.db2.gz ABWOYWSDRKZXNC-DNVJHFABSA-N 0 0 411.586 5.905 40 0 HKABRN CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000004056151 569321389 /nfs/dbraw/zinc/32/13/89/569321389.db2.gz SZZFXLQJFKZXKD-FPTDNZKUSA-N 0 0 421.368 6.123 40 0 HKABRN CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000004056165 569321450 /nfs/dbraw/zinc/32/14/50/569321450.db2.gz FFRUHYOBORFNFV-XMHCIUCPSA-N 0 0 421.368 6.123 40 0 HKABRN COc1ccccc1[C@@]1(CCN(C(C)=O)[C@@H](C)c2ccccc2)CCO[C@H](C(C)C)C1 ZINC000004073192 557509651 /nfs/dbraw/zinc/50/96/51/557509651.db2.gz BLORJSGUUHAICH-PUUVEUEGSA-N 0 0 423.597 5.768 40 0 HKABRN COc1ccccc1[C@@]1(CCN(C(C)=O)[C@@H](C)c2ccccc2)CCO[C@@H](C(C)C)C1 ZINC000004073193 557509647 /nfs/dbraw/zinc/50/96/47/557509647.db2.gz BLORJSGUUHAICH-KWTBFXGESA-N 0 0 423.597 5.768 40 0 HKABRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000004073975 568938112 /nfs/dbraw/zinc/93/81/12/568938112.db2.gz KYOFIJXMVNQYFC-MEVQFFCQSA-N 0 0 412.702 8.233 40 0 biogenic HKABRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000004073976 568938124 /nfs/dbraw/zinc/93/81/24/568938124.db2.gz KYOFIJXMVNQYFC-YEAGPYSFSA-N 0 0 412.702 8.233 40 0 biogenic HKABRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000004073978 568938101 /nfs/dbraw/zinc/93/81/01/568938101.db2.gz KYOFIJXMVNQYFC-VFSHPGAUSA-N 0 0 412.702 8.233 40 0 biogenic HKABRN CC1=C(CC[C@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]12 ZINC000004074035 568938098 /nfs/dbraw/zinc/93/80/98/568938098.db2.gz KIDQUNOGEXTBNB-RPYJZMMMSA-N 0 0 414.630 5.618 40 0 biogenic HKABRN CC1=C(CC[C@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000004074036 568938077 /nfs/dbraw/zinc/93/80/77/568938077.db2.gz KIDQUNOGEXTBNB-CAKZFLTQSA-N 0 0 414.630 5.618 40 0 biogenic HKABRN CC1=C(CC[C@H](C)CO)O[C@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]12 ZINC000004074037 568938150 /nfs/dbraw/zinc/93/81/50/568938150.db2.gz KIDQUNOGEXTBNB-XQHGMMPWSA-N 0 0 414.630 5.618 40 0 biogenic HKABRN CC1=C(CC[C@H](C)CO)O[C@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000004074038 568938082 /nfs/dbraw/zinc/93/80/82/568938082.db2.gz KIDQUNOGEXTBNB-BTQROQCNSA-N 0 0 414.630 5.618 40 0 biogenic HKABRN CC(C)CCC[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 ZINC000004074084 560735120 /nfs/dbraw/zinc/73/51/20/560735120.db2.gz YEYCQJVCAMFWCO-QWDJEJJDSA-N 0 0 414.674 7.569 40 0 HKABRN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\C=C\c1ccco1 ZINC000004076680 569328237 /nfs/dbraw/zinc/32/82/37/569328237.db2.gz UMTNXSOYNXUORQ-MVDSOVFWSA-N 0 0 406.570 6.043 40 0 HKABRN CCCCC1CCC(C(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)CC1 ZINC000004079396 569255309 /nfs/dbraw/zinc/25/53/09/569255309.db2.gz XZNUZDGTCFOUTK-UHFFFAOYSA-N 0 0 417.600 5.448 40 0 HKABRN CC1=C(CC[C@@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]12 ZINC000004081832 568939141 /nfs/dbraw/zinc/93/91/41/568939141.db2.gz IQDKIMJGXXRZGR-ZJDSFRDUSA-N 0 0 416.646 5.698 40 0 biogenic HKABRN CC1=C(CC[C@@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000004081833 560193344 /nfs/dbraw/zinc/19/33/44/560193344.db2.gz IQDKIMJGXXRZGR-MEBFULDVSA-N 0 0 416.646 5.698 40 0 biogenic,in-vitro HKABRN CC1=C(CC[C@@H](C)CO)O[C@H]2C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]12 ZINC000004081834 568939178 /nfs/dbraw/zinc/93/91/78/568939178.db2.gz IQDKIMJGXXRZGR-KEYZACALSA-N 0 0 416.646 5.698 40 0 biogenic HKABRN CC1=C(CC[C@@H](C)CO)O[C@H]2C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000004081836 568939143 /nfs/dbraw/zinc/93/91/43/568939143.db2.gz IQDKIMJGXXRZGR-NWHLQQSGSA-N 0 0 416.646 5.698 40 0 biogenic HKABRN CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000004081881 569328172 /nfs/dbraw/zinc/32/81/72/569328172.db2.gz JZVFJDZBLUFKCA-GMFPHBAYSA-N 0 0 412.702 7.801 40 0 HKABRN CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000004081882 569328227 /nfs/dbraw/zinc/32/82/27/569328227.db2.gz JZVFJDZBLUFKCA-AEMULQTRSA-N 0 0 412.702 7.801 40 0 HKABRN CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000004081883 569328166 /nfs/dbraw/zinc/32/81/66/569328166.db2.gz JZVFJDZBLUFKCA-SRBJCREZSA-N 0 0 412.702 7.801 40 0 HKABRN CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000004081884 569328180 /nfs/dbraw/zinc/32/81/80/569328180.db2.gz JZVFJDZBLUFKCA-BFHHIBBVSA-N 0 0 412.702 7.801 40 0 HKABRN Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CC2 ZINC000004095859 291297131 /nfs/dbraw/zinc/29/71/31/291297131.db2.gz QUEDXNHFTDJVIY-RXYILKCJSA-N 0 0 416.690 8.532 40 0 endogenous,world HKABRN Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)CC2 ZINC000004095861 568758233 /nfs/dbraw/zinc/75/82/33/568758233.db2.gz QUEDXNHFTDJVIY-PFPZSTESSA-N 0 0 416.690 8.532 40 0 endogenous,world HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004096158 569051718 /nfs/dbraw/zinc/05/17/18/569051718.db2.gz OYXZMSRRJOYLLO-RVOWOUOISA-N 0 0 402.663 6.360 40 0 in-man HKABRN 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)C(C)C ZINC000004097812 568942594 /nfs/dbraw/zinc/94/25/94/568942594.db2.gz OSELKOCHBMDKEJ-WGMIZEQOSA-N 0 0 412.702 7.945 40 0 endogenous,in-man HKABRN 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)C(C)C ZINC000004097814 557513242 /nfs/dbraw/zinc/51/32/42/557513242.db2.gz OSELKOCHBMDKEJ-JUGJNGJRSA-N 0 0 412.702 7.945 40 0 endogenous,in-man HKABRN CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000004097824 560194983 /nfs/dbraw/zinc/19/49/83/560194983.db2.gz JZVFJDZBLUFKCA-FXIAWGAOSA-N 0 0 412.702 7.801 40 0 biogenic,in-vitro HKABRN CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000004104836 291289113 /nfs/dbraw/zinc/28/91/13/291289113.db2.gz DBCAVZSSFGIHQZ-YLAYQGCQSA-N 0 0 424.713 8.377 40 0 biogenic,in-vitro HKABRN CC(=O)OC/C=C1\CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004104857 560735195 /nfs/dbraw/zinc/73/51/95/560735195.db2.gz YARSPKDZIPZAQS-LBPAHBPUSA-N 0 0 400.559 5.370 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O[C@@H]5CCCOC5)CC[C@@]43C)[C@@H]1CC[C@@H]2CCO ZINC000004104898 291297128 /nfs/dbraw/zinc/29/71/28/291297128.db2.gz QAXOXOIELCAIDC-KEYWPISJSA-N 0 0 404.635 5.592 40 0 biogenic,in-vitro HKABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O[C@H]5CCCOC5)CC[C@@]43C)[C@@H]1CC[C@@H]2CCO ZINC000004104899 291297134 /nfs/dbraw/zinc/29/71/34/291297134.db2.gz QAXOXOIELCAIDC-CFKJIUMDSA-N 0 0 404.635 5.592 40 0 biogenic,in-vitro HKABRN CC[C@H](/C=C/[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)C(C)C ZINC000004104926 560197036 /nfs/dbraw/zinc/19/70/36/560197036.db2.gz HCXVJBMSMIARIN-LYKUUYSTSA-N 0 0 412.702 7.801 40 0 biogenic,in-vitro HKABRN CCN(CC)c1ccc2c(Oc3ccc(OCc4ccccc4)cc3)cc(=O)oc2c1 ZINC000004124423 560598878 /nfs/dbraw/zinc/59/88/78/560598878.db2.gz UHHUZJCVPLCOJR-UHFFFAOYSA-N 0 0 415.489 6.011 40 0 HKABRN Cc1ccccc1-c1nnc(SCC(=O)OC2CCCCC2)n1-c1ccccc1 ZINC000004124527 560598841 /nfs/dbraw/zinc/59/88/41/560598841.db2.gz LCDVYCPXIBTJLI-UHFFFAOYSA-N 0 0 407.539 5.211 40 0 HKABRN CCOc1ccc(-c2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000004124707 560598828 /nfs/dbraw/zinc/59/88/28/560598828.db2.gz GLDXIMISHSEBGR-UHFFFAOYSA-N 0 0 410.304 6.307 40 0 HKABRN Cc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)c2ccccc2)cc1 ZINC000004125273 560598869 /nfs/dbraw/zinc/59/88/69/560598869.db2.gz HUIBJDSWZISYKK-UHFFFAOYSA-N 0 0 415.518 5.130 40 0 HKABRN Cc1ccc2nc3sc(C(=O)Nc4ccccc4-c4ccccc4)c(N)c3cc2c1 ZINC000004125367 560598814 /nfs/dbraw/zinc/59/88/14/560598814.db2.gz MLZYQMMBEKVNRL-UHFFFAOYSA-N 0 0 409.514 6.259 40 0 HKABRN Cc1ccc2nc3sc(C(=O)N(c4ccccc4)c4ccccc4)c(N)c3cc2c1 ZINC000004125369 560598823 /nfs/dbraw/zinc/59/88/23/560598823.db2.gz QXVAOGAEFXAUHV-UHFFFAOYSA-N 0 0 409.514 6.319 40 0 HKABRN Cc1cc(C)c2cc(C)c(SCC(=O)Nc3ccccc3C(F)(F)F)nc2c1 ZINC000004127310 560599111 /nfs/dbraw/zinc/59/91/11/560599111.db2.gz JPIYMUFTZHYPCA-UHFFFAOYSA-N 0 0 404.457 5.910 40 0 HKABRN COc1ccc(CN(C(=O)c2sc3ccccc3c2Cl)c2ccccc2)cc1 ZINC000004129548 560599324 /nfs/dbraw/zinc/59/93/24/560599324.db2.gz FLMMUCVWWLBWHN-UHFFFAOYSA-N 0 0 407.922 6.410 40 0 HKABRN O=C(c1cc(-c2ccccc2)nc2ccccc21)N(c1ccccc1)c1ccccc1 ZINC000004129557 569255343 /nfs/dbraw/zinc/25/53/43/569255343.db2.gz FYCJGKJUGHZLQW-UHFFFAOYSA-N 0 0 400.481 6.880 40 0 HKABRN O=C(Nc1ccccc1-c1ccccc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000004129563 560599313 /nfs/dbraw/zinc/59/93/13/560599313.db2.gz URQLURAEELJQRA-UHFFFAOYSA-N 0 0 400.481 6.821 40 0 HKABRN Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3c(C)ccc4ccccc43)c2c1 ZINC000004129592 560599312 /nfs/dbraw/zinc/59/93/12/560599312.db2.gz ZVHYPZGUJCWCAC-UHFFFAOYSA-N 0 0 402.497 6.924 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc21 ZINC000004129593 560599304 /nfs/dbraw/zinc/59/93/04/560599304.db2.gz ZVXAFURGQLSLTB-UHFFFAOYSA-N 0 0 402.881 6.125 40 0 HKABRN Cc1ccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)c[nH]2)c(C)c1 ZINC000004129645 560599303 /nfs/dbraw/zinc/59/93/03/560599303.db2.gz PLJXOOWMJQIFRN-UHFFFAOYSA-N 0 0 416.344 5.187 40 0 HKABRN Cc1sc(NC(=O)c2ccc(Br)cc2)c(C(=O)c2ccccc2)c1C ZINC000004129663 560599318 /nfs/dbraw/zinc/59/93/18/560599318.db2.gz FOCDFKCBVFCJBF-UHFFFAOYSA-N 0 0 414.324 5.611 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)cc1 ZINC000004129666 560599317 /nfs/dbraw/zinc/59/93/17/560599317.db2.gz SJPGJQQPRKGKKD-UHFFFAOYSA-N 0 0 417.574 6.408 40 0 HKABRN Cc1ccc(C(=O)c2c(NC(=O)c3ccc(Cl)cc3)sc3c2CCCC3)cc1 ZINC000004129669 560599334 /nfs/dbraw/zinc/59/93/34/560599334.db2.gz KKPYVIFUJBSVES-UHFFFAOYSA-N 0 0 409.938 6.072 40 0 HKABRN Cc1sc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)c2ccc(C)cc2)c1C ZINC000004129673 560599310 /nfs/dbraw/zinc/59/93/10/560599310.db2.gz NRKUAROEMAYMMB-UHFFFAOYSA-N 0 0 405.563 6.454 40 0 HKABRN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)c2ccc(Cl)cc2)CCCC3)c1 ZINC000004129680 560599316 /nfs/dbraw/zinc/59/93/16/560599316.db2.gz VPDZKQRSMIVSID-UHFFFAOYSA-N 0 0 409.938 6.072 40 0 HKABRN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)c2ccc(Cl)cc2)CCCC3)cc1 ZINC000004129681 560599331 /nfs/dbraw/zinc/59/93/31/560599331.db2.gz FSHCMCASYMFPFL-UHFFFAOYSA-N 0 0 409.938 6.072 40 0 HKABRN Cc1sc(NC(=O)c2ccccc2)c(C(=O)c2ccc(Br)cc2)c1C ZINC000004129683 560599315 /nfs/dbraw/zinc/59/93/15/560599315.db2.gz OTGAWUBUOCCWOL-UHFFFAOYSA-N 0 0 414.324 5.611 40 0 HKABRN Clc1ccc(C2=Nc3ccc(Br)cc3C(c3ccccc3)=NN2)cc1 ZINC000004129729 560599322 /nfs/dbraw/zinc/59/93/22/560599322.db2.gz HHDPFGBRQGCGLZ-UHFFFAOYSA-N 0 0 410.702 5.536 40 0 HKABRN Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1ccccc1Cl ZINC000004129785 560599333 /nfs/dbraw/zinc/59/93/33/560599333.db2.gz YXPREYZUMAZBDE-UHFFFAOYSA-N 0 0 420.940 6.451 40 0 HKABRN COc1ccc(C(=O)CSc2nc(-c3ccc(F)cc3)nc3c(C)cccc23)cc1 ZINC000004129821 560599425 /nfs/dbraw/zinc/59/94/25/560599425.db2.gz BZGCKTFQJBEXSM-UHFFFAOYSA-N 0 0 418.493 5.728 40 0 HKABRN COc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(C)cc32)cc1OC ZINC000004129876 560599439 /nfs/dbraw/zinc/59/94/39/560599439.db2.gz QCMJXAGPTSSSFP-UHFFFAOYSA-N 0 0 405.885 5.100 40 0 HKABRN COc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccc(Cl)cc32)cc1OC ZINC000004129891 560599437 /nfs/dbraw/zinc/59/94/37/560599437.db2.gz RWMZLRRFHSPZBW-UHFFFAOYSA-N 0 0 405.885 5.100 40 0 HKABRN Cc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(Br)cc32)cc1 ZINC000004129990 560599417 /nfs/dbraw/zinc/59/94/17/560599417.db2.gz KCLBACGZIRLCCB-UHFFFAOYSA-N 0 0 408.274 5.331 40 0 HKABRN Clc1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccccc32)cc1 ZINC000004129999 560599426 /nfs/dbraw/zinc/59/94/26/560599426.db2.gz BSXVEVZUBUZGIB-UHFFFAOYSA-N 0 0 410.702 5.536 40 0 HKABRN Fc1ccc2nc(-c3ccccc3)nc(SCc3nnc(-c4ccccc4)o3)c2c1 ZINC000004130048 557517629 /nfs/dbraw/zinc/51/76/29/557517629.db2.gz ZAKBSDNUCPUUGK-UHFFFAOYSA-N 0 0 414.465 5.778 40 0 aggregator HKABRN CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)OC3CCCCC3)c2c1 ZINC000004130053 560599400 /nfs/dbraw/zinc/59/94/00/560599400.db2.gz SJFWBIHCXDDSDI-UHFFFAOYSA-N 0 0 424.541 5.966 40 0 HKABRN CCc1ccc2nc(-c3ccc(F)cc3)nc(SCc3ccc(Cl)cc3)c2c1 ZINC000004130055 560599423 /nfs/dbraw/zinc/59/94/23/560599423.db2.gz ANJRXFHRRDADOV-UHFFFAOYSA-N 0 0 408.929 6.944 40 0 HKABRN Cc1sc2ncnc(SCC(=O)N(c3ccccc3)c3ccccc3)c2c1C ZINC000004130126 560599435 /nfs/dbraw/zinc/59/94/35/560599435.db2.gz CAOYEFXJCLKTIH-UHFFFAOYSA-N 0 0 405.548 5.765 40 0 HKABRN Cc1sc2ncnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)c2c1C ZINC000004130128 560599443 /nfs/dbraw/zinc/59/94/43/560599443.db2.gz ZWYCSIVZUQRFLU-UHFFFAOYSA-N 0 0 412.565 5.162 40 0 HKABRN CCc1cccc2c(SCC(=O)Nc3ccccc3)nc(-c3ccc(F)cc3)nc12 ZINC000004130133 560599441 /nfs/dbraw/zinc/59/94/41/560599441.db2.gz JAHGKUPXZRCBRE-UHFFFAOYSA-N 0 0 417.509 5.729 40 0 HKABRN C[C@H](Sc1nnc2c(n1)[C@]1(C)CC[C@H]2C1(C)C)C(=O)Nc1cccc2ccccc21 ZINC000004130143 557517906 /nfs/dbraw/zinc/51/79/06/557517906.db2.gz SSWREBXQUUEKHH-SIJXKNKUSA-N 0 0 418.566 5.319 40 0 HKABRN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c(C)cccc23)cc1 ZINC000004130159 560599433 /nfs/dbraw/zinc/59/94/33/560599433.db2.gz UDAGDIWHPRWPFZ-UHFFFAOYSA-N 0 0 415.518 5.345 40 0 HKABRN CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2c(C)cccc12 ZINC000004130160 560599447 /nfs/dbraw/zinc/59/94/47/560599447.db2.gz OUQOTDADRFBHDU-UHFFFAOYSA-N 0 0 413.546 5.898 40 0 HKABRN Cc1ccc(-c2nc3ccccc3c(SCC(=O)Nc3cccc(C)c3C)n2)cc1 ZINC000004130162 560599395 /nfs/dbraw/zinc/59/93/95/560599395.db2.gz ZSQQDUVUTCOWIA-UHFFFAOYSA-N 0 0 413.546 5.953 40 0 HKABRN Cc1ccc(-c2nc3ccccc3c(SCC(=O)Nc3cc(C)cc(C)c3)n2)cc1 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ZINC000004217297 560604084 /nfs/dbraw/zinc/60/40/84/560604084.db2.gz DVWNQXCMWXVIEF-UHFFFAOYSA-N 0 0 409.580 5.487 40 0 HKABRN O=c1cc(CSc2nc(C3CC3)nc3sc4c(c32)CCCC4)c2ccccc2[nH]1 ZINC000004217301 560604060 /nfs/dbraw/zinc/60/40/60/560604060.db2.gz KBESPXQMUNBGRK-UHFFFAOYSA-N 0 0 419.575 5.581 40 0 HKABRN CC[C@@H]1CCCCN1C(=O)CSc1nc(C2CC2)nc2sc3c(c21)CCCC3 ZINC000004217321 560604116 /nfs/dbraw/zinc/60/41/16/560604116.db2.gz DMKIZNBZSAELLL-OAHLLOKOSA-N 0 0 415.628 5.331 40 0 HKABRN CC[C@H]1CCCCN1C(=O)CSc1nc(C2CC2)nc2sc3c(c21)CCCC3 ZINC000004217323 560604071 /nfs/dbraw/zinc/60/40/71/560604071.db2.gz DMKIZNBZSAELLL-HNNXBMFYSA-N 0 0 415.628 5.331 40 0 HKABRN Cc1sc2nc(C(C)C)nc(SCc3nnc(-c4ccc(C)cc4)o3)c2c1C ZINC000004217464 557529676 /nfs/dbraw/zinc/52/96/76/557529676.db2.gz XLXKLYISZYIAHA-UHFFFAOYSA-N 0 0 410.568 6.082 40 0 aggregator HKABRN CC(C)c1nc2sc3c(c2c(SCC(=O)OC2CCCCC2)n1)CCCC3 ZINC000004218043 560604326 /nfs/dbraw/zinc/60/43/26/560604326.db2.gz DSCXXGHEKLRXGA-UHFFFAOYSA-N 0 0 404.601 5.662 40 0 HKABRN Cc1ccccc1NC(=O)CSc1nc(C(C)C)nc2sc3c(c21)CCCC3 ZINC000004218044 560604320 /nfs/dbraw/zinc/60/43/20/560604320.db2.gz XNBMAFGTVKBKBU-UHFFFAOYSA-N 0 0 411.596 5.733 40 0 HKABRN CC(C)c1nc2sc3c(c2c(SCc2cc(=O)[nH]c4ccccc24)n1)CCCC3 ZINC000004218045 560604323 /nfs/dbraw/zinc/60/43/23/560604323.db2.gz BKGYCENGOHJBHD-UHFFFAOYSA-N 0 0 421.591 5.827 40 0 HKABRN CCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)NCc1ccc(OC)cc1)CC2 ZINC000004222670 291292423 /nfs/dbraw/zinc/29/24/23/291292423.db2.gz LZUJIURAHOETGM-GHTZIAJQSA-N 0 0 409.570 5.158 40 0 biogenic,in-vitro HKABRN Cc1cccc2cc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCCC3)c(=O)[nH]c12 ZINC000004230927 560602783 /nfs/dbraw/zinc/60/27/83/560602783.db2.gz BWTCUHBINBEXQV-UHFFFAOYSA-N 0 0 416.565 5.719 40 0 HKABRN Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)C3CCCCC3)c(=O)[nH]c12 ZINC000004230932 560602796 /nfs/dbraw/zinc/60/27/96/560602796.db2.gz BZOQXYOCYHHQGE-UHFFFAOYSA-N 0 0 406.501 5.085 40 0 HKABRN Cc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc(F)c2)cc1 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ZINC000004450207 560896417 /nfs/dbraw/zinc/89/64/17/560896417.db2.gz JSCCSZCZIMJDCI-BPTGPBLASA-N 0 0 409.533 5.308 40 0 HKABRN CC(C)(C)c1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000004450222 557555469 /nfs/dbraw/zinc/55/54/69/557555469.db2.gz LUSBTZJQUNWUBW-UHFFFAOYSA-N 0 0 413.505 6.101 40 0 HKABRN CC(C)OCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000004458460 560607022 /nfs/dbraw/zinc/60/70/22/560607022.db2.gz DDHDYFBHPANCQY-IDSXKDCHSA-N 0 0 418.581 5.528 40 0 HKABRN CC(C)OCCCNC(=O)c1ccc2c(c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000004458461 560606994 /nfs/dbraw/zinc/60/69/94/560606994.db2.gz DDHDYFBHPANCQY-CQRHOMQTSA-N 0 0 418.581 5.528 40 0 HKABRN CCOc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccccc4)[C@@H]2C3(Cl)Cl)cc1 ZINC000004476946 557557538 /nfs/dbraw/zinc/55/75/38/557557538.db2.gz CTUJYKBLFJUAQV-XPWALMASSA-N 0 0 411.328 6.309 40 0 HKABRN Cc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccncc2)cc1C ZINC000004491089 569328335 /nfs/dbraw/zinc/32/83/35/569328335.db2.gz LKGRYBSHMSVEAW-UHFFFAOYSA-N 0 0 406.942 5.892 40 0 HKABRN Cc1ccc(OCCSc2nnc(Cc3ccccc3)n2-c2cccc(C)c2)cc1 ZINC000004491106 569328295 /nfs/dbraw/zinc/32/82/95/569328295.db2.gz LKOZWFRLZASLOT-UHFFFAOYSA-N 0 0 415.562 5.646 40 0 HKABRN Cc1ccc(OCCSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)cc1 ZINC000004491138 569328321 /nfs/dbraw/zinc/32/83/21/569328321.db2.gz CDSWAKFBXJAACP-UHFFFAOYSA-N 0 0 419.525 5.477 40 0 HKABRN Fc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 ZINC000004491209 569328329 /nfs/dbraw/zinc/32/83/29/569328329.db2.gz XQLBJONTAJGZDI-UHFFFAOYSA-N 0 0 409.917 5.943 40 0 HKABRN Fc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 ZINC000004491213 569328340 /nfs/dbraw/zinc/32/83/40/569328340.db2.gz AHKMLRHWLLDHMZ-UHFFFAOYSA-N 0 0 409.917 5.943 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000004491395 568934644 /nfs/dbraw/zinc/93/46/44/568934644.db2.gz CSNLCSVOUINGFO-UHFFFAOYSA-N 0 0 412.558 7.027 40 0 HKABRN Cc1ccccc1CSCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000004496855 569328317 /nfs/dbraw/zinc/32/83/17/569328317.db2.gz JLBOZGNDRUJPME-UHFFFAOYSA-N 0 0 409.938 5.751 40 0 HKABRN COc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccncc2)cc1 ZINC000004509708 560735612 /nfs/dbraw/zinc/73/56/12/560735612.db2.gz RVWFCQQMDKNONL-UHFFFAOYSA-N 0 0 402.523 5.063 40 0 HKABRN Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3=O)cc2)c1 ZINC000004514955 557562386 /nfs/dbraw/zinc/56/23/86/557562386.db2.gz XOJMJVWDKKIYTI-SZQRREJASA-N 0 0 401.506 5.612 40 0 HKABRN Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3=O)cc2)c1 ZINC000004514958 557562327 /nfs/dbraw/zinc/56/23/27/557562327.db2.gz XOJMJVWDKKIYTI-YGVUDDDKSA-N 0 0 401.506 5.612 40 0 HKABRN CC[C@H](/C=C/[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)C(C)C ZINC000004521842 290702118 /nfs/dbraw/zinc/70/21/18/290702118.db2.gz HCXVJBMSMIARIN-JIXWFOITSA-N 0 0 412.702 7.801 40 0 biogenic,in-vitro HKABRN Cc1cc(C(c2ccccc2)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000004522179 557563305 /nfs/dbraw/zinc/56/33/05/557563305.db2.gz OEEIJGBOHAMUKT-UHFFFAOYSA-N 0 0 413.542 5.976 40 0 HKABRN CCCCCCOc1ccc(C2(Cl)c3ccccc3N(C)c3ccccc32)cc1 ZINC000004522341 132278146 /nfs/dbraw/zinc/27/81/46/132278146.db2.gz UHAUKGKRTKYHKR-UHFFFAOYSA-N 0 0 405.969 7.258 40 0 HKABRN CN(C)c1ccc(C2(Cl)c3ccccc3N(c3ccccc3)c3ccccc32)cc1 ZINC000004522536 132278080 /nfs/dbraw/zinc/27/80/80/132278080.db2.gz BTAIWIMSOUNKLT-UHFFFAOYSA-N 0 0 410.948 7.067 40 0 HKABRN O=C(Nc1ccc(Br)cc1)C1[C@H]2CC[C@@H]3[C@H](CC[C@H]12)C3(Cl)Cl ZINC000004524955 560897190 /nfs/dbraw/zinc/89/71/90/560897190.db2.gz IHGXONDQOAQJQW-JZAZDWQXSA-N 0 0 403.147 5.244 40 0 HKABRN O=C(Nc1ccc(Br)cc1)C1[C@@H]2CC[C@@H]3[C@H](CC[C@H]12)C3(Cl)Cl ZINC000004524958 560897211 /nfs/dbraw/zinc/89/72/11/560897211.db2.gz IHGXONDQOAQJQW-RRIFHVCJSA-N 0 0 403.147 5.244 40 0 HKABRN O=C(Nc1ccc(Br)cc1)C1[C@@H]2CC[C@@H]3[C@H](CC[C@@H]12)C3(Cl)Cl ZINC000004524960 560897214 /nfs/dbraw/zinc/89/72/14/560897214.db2.gz IHGXONDQOAQJQW-ARJVPZMDSA-N 0 0 403.147 5.244 40 0 HKABRN CC(C)[C@@H](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 ZINC000004536083 569255447 /nfs/dbraw/zinc/25/54/47/569255447.db2.gz SGNBVLSWZMBQTH-SNCZQAQVSA-N 0 0 400.691 7.635 40 0 HKABRN CCCC[C@H](CC)COC(=O)C(=Cc1ccccc1)C(=O)OC[C@@H](CC)CCCC ZINC000004536802 557564641 /nfs/dbraw/zinc/56/46/41/557564641.db2.gz DDRDRGWDSPDASN-VXKWHMMOSA-N 0 0 416.602 6.589 40 0 HKABRN CCCC[C@@H](CC)COC(=O)C(=Cc1ccccc1)C(=O)OC[C@H](CC)CCCC ZINC000004536804 557564688 /nfs/dbraw/zinc/56/46/88/557564688.db2.gz DDRDRGWDSPDASN-FGZHOGPDSA-N 0 0 416.602 6.589 40 0 HKABRN CCCCN(C(=O)OCCOC(=O)N(CCCC)c1ccccc1)c1ccccc1 ZINC000004538605 557564903 /nfs/dbraw/zinc/56/49/03/557564903.db2.gz STIXLPHGJUQNHJ-UHFFFAOYSA-N 0 0 412.530 5.873 40 0 HKABRN Cc1ccc(-c2csc3ncnc(SCC(=O)OCc4ccccc4)c23)cc1 ZINC000004538985 560607215 /nfs/dbraw/zinc/60/72/15/560607215.db2.gz YKEIQNQUWRDYTP-UHFFFAOYSA-N 0 0 406.532 5.502 40 0 HKABRN COc1ccc(OC)c2c1[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000004543124 557565128 /nfs/dbraw/zinc/56/51/28/557565128.db2.gz XEOCQPURFNDYLT-TXEJJXNPSA-N 0 0 408.923 5.462 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl ZINC000004545777 557565681 /nfs/dbraw/zinc/56/56/81/557565681.db2.gz OUTXWHNKLCHHLR-RVZJCZPVSA-N 0 0 415.942 6.062 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl ZINC000004545778 557565605 /nfs/dbraw/zinc/56/56/05/557565605.db2.gz OUTXWHNKLCHHLR-SLDJAQPHSA-N 0 0 415.942 6.062 40 0 HKABRN CSC1=NC(C)(C)C[C@@]2(C[C@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)N1 ZINC000004553238 557566304 /nfs/dbraw/zinc/56/63/04/557566304.db2.gz DSDFSXFVDPCKMS-VFNWGFHPSA-N 0 0 402.947 5.147 40 0 HKABRN CSC1=NC(C)(C)C[C@]2(C[C@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)N1 ZINC000004553239 557566280 /nfs/dbraw/zinc/56/62/80/557566280.db2.gz DSDFSXFVDPCKMS-QVKFZJNVSA-N 0 0 402.947 5.147 40 0 HKABRN CSC1=NC(C)(C)C[C@@]2(C[C@@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)N1 ZINC000004553240 557566243 /nfs/dbraw/zinc/56/62/43/557566243.db2.gz DSDFSXFVDPCKMS-BTYIYWSLSA-N 0 0 402.947 5.147 40 0 HKABRN CSC1=NC(C)(C)C[C@]2(C[C@@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)N1 ZINC000004553241 557566358 /nfs/dbraw/zinc/56/63/58/557566358.db2.gz DSDFSXFVDPCKMS-YCRPNKLZSA-N 0 0 402.947 5.147 40 0 HKABRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000004556621 569364974 /nfs/dbraw/zinc/36/49/74/569364974.db2.gz JQMQKOQOLPGBBE-CUBDRVROSA-N 0 0 402.663 6.648 40 0 HKABRN COc1cc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(OC)c1OC ZINC000004560675 560607430 /nfs/dbraw/zinc/60/74/30/560607430.db2.gz FIWFFDYFBBZDDQ-UHFFFAOYSA-N 0 0 421.537 5.433 40 0 HKABRN CCc1ccc(N(CC(=O)c2ccc(Cl)cc2Cl)C2=NCCCS2)cc1 ZINC000004575301 560898152 /nfs/dbraw/zinc/89/81/52/560898152.db2.gz LTMMMWAZQTYWCD-UHFFFAOYSA-N 0 0 407.366 5.738 40 0 HKABRN Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3cnc4ccccc4c3)c(N)c21 ZINC000004575692 569071371 /nfs/dbraw/zinc/07/13/71/569071371.db2.gz YADNOAUWZNFJHJ-UHFFFAOYSA-N 0 0 402.401 5.006 40 0 HKABRN Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 ZINC000004576481 557569368 /nfs/dbraw/zinc/56/93/68/557569368.db2.gz YUDLPNDUUNMMLG-UHFFFAOYSA-N 0 0 413.546 6.091 40 0 HKABRN C[C@H]1C[C@@H](OC(=O)c2ccccc2C(=O)O[C@H]2C[C@H](C)CC(C)(C)C2)CC(C)(C)C1 ZINC000004578985 557569832 /nfs/dbraw/zinc/56/98/32/557569832.db2.gz ATHBXDPWCKSOLE-LWYYNNOASA-N 0 0 414.586 6.430 40 0 HKABRN C[C@H]1C[C@@H](OC(=O)c2ccccc2C(=O)O[C@@H]2C[C@H](C)CC(C)(C)C2)CC(C)(C)C1 ZINC000004578987 569071375 /nfs/dbraw/zinc/07/13/75/569071375.db2.gz ATHBXDPWCKSOLE-VNTMZGSJSA-N 0 0 414.586 6.430 40 0 HKABRN CC[C@@H](C)C(=O)N1c2ccccc2[C@H](N(C(=O)[C@@H](C)CC)c2ccccc2)C[C@@H]1C ZINC000004591582 535459255 /nfs/dbraw/zinc/45/92/55/535459255.db2.gz WYDOYBRGEXKRFI-KCOOYEKVSA-N 0 0 406.570 5.978 40 0 HKABRN CC[C@@H](C)C(=O)N1c2ccccc2[C@@H](N(C(=O)[C@@H](C)CC)c2ccccc2)C[C@@H]1C ZINC000004591587 535459158 /nfs/dbraw/zinc/45/91/58/535459158.db2.gz WYDOYBRGEXKRFI-XUJKJYMVSA-N 0 0 406.570 5.978 40 0 HKABRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Oc2ccccc2-c2ccccc2)cc1 ZINC000004593167 560898518 /nfs/dbraw/zinc/89/85/18/560898518.db2.gz BCIMCGGUVWTANB-VHQMJQKASA-N 0 0 407.469 5.457 40 0 HKABRN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(Oc2ccccc2-c2ccccc2)cc1 ZINC000004593168 560898550 /nfs/dbraw/zinc/89/85/50/560898550.db2.gz BCIMCGGUVWTANB-JHFSOIRNSA-N 0 0 407.469 5.457 40 0 HKABRN O=C(Nc1ccccc1C(F)(F)F)c1c(Cl)nc(Cl)c(Cl)c1Cl ZINC000004593616 568934210 /nfs/dbraw/zinc/93/42/10/568934210.db2.gz XPLMWCNZKAKACO-UHFFFAOYSA-N 0 0 404.002 5.966 40 0 HKABRN CSc1nnc2c(n1)O[C@@](C)(c1ccc(-c3ccccc3)cc1)Nc1ccccc1-2 ZINC000004601051 557571396 /nfs/dbraw/zinc/57/13/96/557571396.db2.gz ZFYCAXWEPACNFW-DEOSSOPVSA-N 0 0 412.518 5.605 40 0 HKABRN CCCOC(=O)/C(=C\c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1 ZINC000004601174 560608004 /nfs/dbraw/zinc/60/80/04/560608004.db2.gz VLEWZMNSEAOBKX-OQKWZONESA-N 0 0 412.489 5.056 40 0 HKABRN Clc1ccc(-c2cn3nc(COc4ccccc4)n4c3c2CCCC4)cc1Cl ZINC000004602460 560898563 /nfs/dbraw/zinc/89/85/63/560898563.db2.gz KOFWAXGSIYKENZ-UHFFFAOYSA-N 0 0 412.320 6.025 40 0 HKABRN COc1ccc([C@H]2OC[C@]3(COC(=O)Nc4ccccc4)[C@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 ZINC000004603023 560898567 /nfs/dbraw/zinc/89/85/67/560898567.db2.gz OGCHLIHOPGTPPY-MRFIEBOFSA-N 0 0 421.537 5.850 40 0 HKABRN COc1ccc([C@H]2OC[C@]3(COC(=O)Nc4ccccc4)[C@@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 ZINC000004603024 560898668 /nfs/dbraw/zinc/89/86/68/560898668.db2.gz OGCHLIHOPGTPPY-UTGBEIBVSA-N 0 0 421.537 5.850 40 0 HKABRN O=c1c2ccccc2nc(/C=C/c2ccccc2F)n1-c1cccc(C(F)(F)F)c1 ZINC000004611112 560608047 /nfs/dbraw/zinc/60/80/47/560608047.db2.gz PLEOZVZNXKTXNB-OUKQBFOZSA-N 0 0 410.370 5.714 40 0 HKABRN COc1ccc(C(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)o2)cc1 ZINC000004614479 560898670 /nfs/dbraw/zinc/89/86/70/560898670.db2.gz ZPEHXZCNCHTDRJ-UHFFFAOYSA-N 0 0 412.511 5.064 40 0 HKABRN CCc1ccc(N(CC(=O)c2ccc(C3CCCCC3)cc2)C2=NCCCS2)cc1 ZINC000004614672 560898666 /nfs/dbraw/zinc/89/86/66/560898666.db2.gz ZHKCUHBYNPSNIS-UHFFFAOYSA-N 0 0 420.622 6.479 40 0 HKABRN COc1ccc(-c2c(C)s/c(=N\Cc3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000004614775 560898654 /nfs/dbraw/zinc/89/86/54/560898654.db2.gz IXNRQLFKCHSKJW-QPLCGJKRSA-N 0 0 400.547 5.932 40 0 HKABRN c1ccc(-c2nc3cc(Oc4ccc5[nH]c(-c6ccccc6)nc5c4)ccc3[nH]2)cc1 ZINC000004615159 557572716 /nfs/dbraw/zinc/57/27/16/557572716.db2.gz WKXRIOWEJGUTQK-UHFFFAOYSA-N 0 0 402.457 6.566 40 0 HKABRN c1ccc(C(c2ccccc2)(c2ccccc2)n2c3ccccc3c3ccccc32)cc1 ZINC000004615501 557572932 /nfs/dbraw/zinc/57/29/32/557572932.db2.gz DNWXQBZNVUKJFB-UHFFFAOYSA-N 0 0 409.532 7.635 40 0 HKABRN Cc1ccc(N(CC(=O)c2ccc(Oc3ccccc3)cc2)C2=NCCCS2)cc1 ZINC000004618755 560898690 /nfs/dbraw/zinc/89/86/90/560898690.db2.gz ULSDRBLHAJDFCY-UHFFFAOYSA-N 0 0 416.546 5.970 40 0 HKABRN O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccccc1C(F)(F)F ZINC000004619314 560898692 /nfs/dbraw/zinc/89/86/92/560898692.db2.gz ORGQWCUZQSHNPC-UHFFFAOYSA-N 0 0 410.446 5.031 40 0 HKABRN O=C(Nc1cccc(Cl)c1)N(C1=NCCS1)c1ccc(Br)cc1 ZINC000004619556 560898687 /nfs/dbraw/zinc/89/86/87/560898687.db2.gz JNZRGFCVIGHMFU-UHFFFAOYSA-N 0 0 410.724 5.244 40 0 HKABRN Fc1ccc(-c2cc(-c3ccncc3)nc(Cc3c(Cl)cccc3Cl)n2)cc1 ZINC000004623571 568934202 /nfs/dbraw/zinc/93/42/02/568934202.db2.gz GUPWCABWLDBTEW-UHFFFAOYSA-N 0 0 410.279 6.242 40 0 HKABRN CCOC(=O)C=C(Nc1cc2cc(-c3ccccc3)n(C)c2cc1C)C(F)(F)F ZINC000004623933 568934363 /nfs/dbraw/zinc/93/43/63/568934363.db2.gz HGQOGYJBLNHAGV-MOSHPQCFSA-N 0 0 402.416 5.575 40 0 HKABRN Cc1cc(C)cc(OCCSc2nc(Cc3cccc4ccccc43)cc(=O)[nH]2)c1 ZINC000004625663 568934348 /nfs/dbraw/zinc/93/43/48/568934348.db2.gz MNEGRANSULPLLA-UHFFFAOYSA-N 0 0 416.546 5.714 40 0 HKABRN Cc1cc(C)cc(OCCSc2nc(COc3ccc(Cl)cc3)cc(=O)[nH]2)c1 ZINC000004625667 557574050 /nfs/dbraw/zinc/57/40/50/557574050.db2.gz AYJNVEDHABLRPP-UHFFFAOYSA-N 0 0 416.930 5.203 40 0 HKABRN Fc1ccc(-c2cc(-c3nc4c5c6c(sc5ncn4n3)CCCCCC6)n[nH]2)cc1 ZINC000004626246 557574029 /nfs/dbraw/zinc/57/40/29/557574029.db2.gz QUWKFPSLNSVZNE-UHFFFAOYSA-N 0 0 418.501 5.194 40 0 HKABRN c1cc(-c2cc(-c3nc4c5c6c(sc5ncn4n3)CCCCCC6)n[nH]2)cs1 ZINC000004626247 557574039 /nfs/dbraw/zinc/57/40/39/557574039.db2.gz IJSQSSDFUONNQZ-UHFFFAOYSA-N 0 0 406.540 5.117 40 0 HKABRN Cc1ccc(-c2noc(CSc3nc4ccccc4n3Cc3ccccc3)n2)cc1 ZINC000004629446 568934259 /nfs/dbraw/zinc/93/42/59/568934259.db2.gz NOBBJUXOZVWVLG-UHFFFAOYSA-N 0 0 412.518 5.735 40 0 HKABRN Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)Nc5ccc(Br)cc5)(C4)C2)C3)cc1 ZINC000004644809 569323293 /nfs/dbraw/zinc/32/32/93/569323293.db2.gz ILJZAEIMSLOFAI-ISVJADKWSA-N 0 0 424.382 6.234 40 0 HKABRN C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1 ZINC000004655286 557576308 /nfs/dbraw/zinc/57/63/08/557576308.db2.gz LQWSQQKTZLDGME-UZMBMHPJSA-N 0 0 404.550 5.793 40 0 in-vitro HKABRN C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1 ZINC000004655288 557576280 /nfs/dbraw/zinc/57/62/80/557576280.db2.gz LQWSQQKTZLDGME-HOMAGXEVSA-N 0 0 404.550 5.793 40 0 in-vitro HKABRN C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1 ZINC000004655289 557576327 /nfs/dbraw/zinc/57/63/27/557576327.db2.gz LQWSQQKTZLDGME-CPHHOOCTSA-N 0 0 404.550 5.793 40 0 in-vitro HKABRN Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)NCC56CC7CC(CC(C7)C5)C6)(C4)C2)C3)cc1 ZINC000004661474 569323172 /nfs/dbraw/zinc/32/31/72/569323172.db2.gz JBOZESARKKAUMK-FEDQGFLZSA-N 0 0 417.637 6.166 40 0 HKABRN CC(=O)O[C@@H](C(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000004674106 132282126 /nfs/dbraw/zinc/28/21/26/132282126.db2.gz VVLNDNHZGBIEPT-FMNCTDSISA-N 0 0 414.505 5.269 40 0 HKABRN CC(=O)O[C@@H](C(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000004674107 132282118 /nfs/dbraw/zinc/28/21/18/132282118.db2.gz VVLNDNHZGBIEPT-VVMVZBAXSA-N 0 0 414.505 5.269 40 0 HKABRN CC(=O)O[C@@H](C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000004674108 132282053 /nfs/dbraw/zinc/28/20/53/132282053.db2.gz VVLNDNHZGBIEPT-XYURVEJXSA-N 0 0 414.505 5.269 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@@H](c1ccccc1)N2 ZINC000004678274 568419023 /nfs/dbraw/zinc/41/90/23/568419023.db2.gz JWMCNGZAHWTGLW-ZWQVRTGJSA-N 0 0 412.508 6.375 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@H](c1ccccc1)N2 ZINC000004678275 568418975 /nfs/dbraw/zinc/41/89/75/568418975.db2.gz JWMCNGZAHWTGLW-DZBNJKESSA-N 0 0 412.508 6.375 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 ZINC000004678276 568419022 /nfs/dbraw/zinc/41/90/22/568419022.db2.gz JWMCNGZAHWTGLW-LNOKMCRLSA-N 0 0 412.508 6.375 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000004678277 568419002 /nfs/dbraw/zinc/41/90/02/568419002.db2.gz JWMCNGZAHWTGLW-BGXCPIDJSA-N 0 0 412.508 6.375 40 0 HKABRN C[C@@]12[C@H](c3ccc(F)cc3)c3ccccc3O[C@]1(c1cccs1)C2(Cl)Cl ZINC000004681814 568419008 /nfs/dbraw/zinc/41/90/08/568419008.db2.gz LGQNCDSWNAUXGK-AQNXPRMDSA-N 0 0 405.321 6.501 40 0 HKABRN C[C@@]12[C@@H](c3ccc(F)cc3)c3ccccc3O[C@]1(c1cccs1)C2(Cl)Cl ZINC000004681816 568418997 /nfs/dbraw/zinc/41/89/97/568418997.db2.gz LGQNCDSWNAUXGK-ZCNNSNEGSA-N 0 0 405.321 6.501 40 0 HKABRN OC1(c2ccccc2)c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21 ZINC000004683129 557580996 /nfs/dbraw/zinc/58/09/96/557580996.db2.gz BONDEHCZSWPICR-UHFFFAOYSA-N 0 0 424.543 6.667 40 0 HKABRN CCCC[C@H](CC)COC(=O)c1cccc(C(=O)OCCCCCCCC(C)C)c1 ZINC000004683303 557581029 /nfs/dbraw/zinc/58/10/29/557581029.db2.gz PRQZIYTWKPUCOW-QFIPXVFZSA-N 0 0 418.618 7.213 40 0 HKABRN CCCC[C@H](CC)COC(=O)c1ccc(C(=O)OCCCCCCCC(C)C)cc1 ZINC000004683304 557581006 /nfs/dbraw/zinc/58/10/06/557581006.db2.gz URUPPBNOHCOUEQ-QFIPXVFZSA-N 0 0 418.618 7.213 40 0 HKABRN Cc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@]2(C)C3(Cl)Cl)cc1 ZINC000004686078 568419228 /nfs/dbraw/zinc/41/92/28/568419228.db2.gz WMVAPGMEZFZUIW-XPWALMASSA-N 0 0 413.319 6.748 40 0 HKABRN CSc1c2ccccc2n(Cc2ccccc2)c1CC(=O)Nc1cccc(Cl)c1 ZINC000004687173 557581123 /nfs/dbraw/zinc/58/11/23/557581123.db2.gz ZBEZICUBMAWVGL-UHFFFAOYSA-N 0 0 420.965 6.246 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1ccccc1N[S@@](=O)C12CC3CC(CC(C3)C1)C2 ZINC000004689885 557581517 /nfs/dbraw/zinc/58/15/17/557581517.db2.gz LOAUZOIZDXJKLM-DRIKIYOTSA-N 0 0 412.530 5.122 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1ccccc1N[S@](=O)C12CC3CC(CC(C3)C1)C2 ZINC000004689886 557581512 /nfs/dbraw/zinc/58/15/12/557581512.db2.gz LOAUZOIZDXJKLM-KESVINFISA-N 0 0 412.530 5.122 40 0 HKABRN Cc1ccc(COc2ccc(C(=S)N3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000004694077 557581969 /nfs/dbraw/zinc/58/19/69/557581969.db2.gz YEWVFYWCUSXQAN-UHFFFAOYSA-N 0 0 415.602 6.204 40 0 HKABRN CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000004697213 557582531 /nfs/dbraw/zinc/58/25/31/557582531.db2.gz WSQCTQFTERXMRY-PWGHIRGTSA-N 0 0 423.512 5.328 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000004697302 560610830 /nfs/dbraw/zinc/61/08/30/560610830.db2.gz UBCQNAYMIJJLRK-QXUMQBBKSA-N 0 0 401.293 5.009 40 0 HKABRN CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@@H]3c2ccccc2)cc1 ZINC000004697524 569323196 /nfs/dbraw/zinc/32/31/96/569323196.db2.gz QVHCBIHNSPQTPJ-XPGKHFPBSA-N 0 0 423.512 5.328 40 0 HKABRN COc1ccc(/C=C\c2nc3ccccc3nc2OCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004698040 557582812 /nfs/dbraw/zinc/58/28/12/557582812.db2.gz AJEGNSGTBVQDGU-AQTBWJFISA-N 0 0 424.544 6.685 40 0 HKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000004699572 560735919 /nfs/dbraw/zinc/73/59/19/560735919.db2.gz RKCWQMOANKIADY-XYOKQWHBSA-N 0 0 408.295 5.361 40 0 HKABRN CCCOP(=O)(OCCC)OCCCCOP(=O)(OCCC)OCCC ZINC000004705687 557584915 /nfs/dbraw/zinc/58/49/15/557584915.db2.gz HPLRXPXKBJOALV-UHFFFAOYSA-N 0 0 418.404 5.722 40 0 HKABRN CCCCOP(=O)(COP(=O)(OCC(C)C)OCC(C)C)OCCCC ZINC000004705694 557584913 /nfs/dbraw/zinc/58/49/13/557584913.db2.gz RUTBZFYBZBEBFT-UHFFFAOYSA-N 0 0 416.432 6.240 40 0 HKABRN CC(C)COP(=O)(COP(=O)(OCC(C)C)OCC(C)C)OCC(C)C ZINC000004705701 557584869 /nfs/dbraw/zinc/58/48/69/557584869.db2.gz SNKKMOXCYCWVOO-UHFFFAOYSA-N 0 0 416.432 5.952 40 0 HKABRN CC(C)OP(=O)(OCC[C@H](C)OP(=O)(OC(C)C)OC(C)C)OC(C)C ZINC000004705702 557584878 /nfs/dbraw/zinc/58/48/78/557584878.db2.gz BRVUDVQMGWHERY-INIZCTEOSA-N 0 0 418.404 5.714 40 0 HKABRN CC(C)COP(=O)(OCC(C)C)[C@@H](C)OP(=O)(OC(C)C)OC(C)C ZINC000004705706 557584918 /nfs/dbraw/zinc/58/49/18/557584918.db2.gz FJLFRRYIKUXXDS-INIZCTEOSA-N 0 0 402.405 5.845 40 0 HKABRN COc1ccccc1[C@@H]1CC(c2cccs2)=NN1c1cccc(Br)c1 ZINC000004712862 560610841 /nfs/dbraw/zinc/61/08/41/560610841.db2.gz ZEKUKBYQUAFFPB-SFHVURJKSA-N 0 0 413.340 5.875 40 0 HKABRN COc1ccccc1[C@H]1CC(c2cccs2)=NN1c1cccc(Br)c1 ZINC000004712863 560610875 /nfs/dbraw/zinc/61/08/75/560610875.db2.gz ZEKUKBYQUAFFPB-GOSISDBHSA-N 0 0 413.340 5.875 40 0 HKABRN CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000004713916 560610946 /nfs/dbraw/zinc/61/09/46/560610946.db2.gz KPIZKJSBWWEHFF-UZLBHIALSA-N 0 0 423.538 5.090 40 0 HKABRN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000004713917 560610913 /nfs/dbraw/zinc/61/09/13/560610913.db2.gz KPIZKJSBWWEHFF-JXFKEZNVSA-N 0 0 423.538 5.090 40 0 HKABRN CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000004713918 560611003 /nfs/dbraw/zinc/61/10/03/560611003.db2.gz KPIZKJSBWWEHFF-OXQOHEQNSA-N 0 0 423.538 5.090 40 0 HKABRN CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000004713919 560610953 /nfs/dbraw/zinc/61/09/53/560610953.db2.gz KPIZKJSBWWEHFF-OXJNMPFZSA-N 0 0 423.538 5.090 40 0 HKABRN CCCCc1ccc(Nc2c(=O)n(C)c3cccc4c3c2-c2ccccc2C4=O)cc1 ZINC000004719026 560608333 /nfs/dbraw/zinc/60/83/33/560608333.db2.gz SUOAQSJJDWLVNW-UHFFFAOYSA-N 0 0 408.501 5.836 40 0 HKABRN Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000004719205 560608364 /nfs/dbraw/zinc/60/83/64/560608364.db2.gz GXWZXIOMFOMOLY-UHFFFAOYSA-N 0 0 404.894 5.709 40 0 HKABRN Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@@H]3c2ccccc2)c1C ZINC000004719419 557586362 /nfs/dbraw/zinc/58/63/62/557586362.db2.gz KELPOJPJNQMGFZ-OSNGURLVSA-N 0 0 407.513 5.546 40 0 HKABRN Cc1cc(C)c(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@@H]3c2ccccc2)c(C)c1 ZINC000004719421 569323291 /nfs/dbraw/zinc/32/32/91/569323291.db2.gz DFQXSXPRPJMBGK-POTDNYQPSA-N 0 0 421.540 5.855 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000004719830 560608304 /nfs/dbraw/zinc/60/83/04/560608304.db2.gz UKZHVWNLKHRWJB-HMAPJEAMSA-N 0 0 415.880 5.231 40 0 HKABRN COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3Cc3c(OC)cccc32)cc1 ZINC000004720776 557586494 /nfs/dbraw/zinc/58/64/94/557586494.db2.gz LQXDFOXLRRBSJM-UHFFFAOYSA-N 0 0 422.524 5.999 40 0 HKABRN Clc1ccc(/C=C/c2nc3ccccc3nc2OCc2ccccc2)c(Cl)c1 ZINC000004720946 557586507 /nfs/dbraw/zinc/58/65/07/557586507.db2.gz BMDSKPMHAYPYNM-ACCUITESSA-N 0 0 407.300 6.686 40 0 HKABRN CC1(C)SCCCCCCCSC(C)(C)SCCCCCCCS1 ZINC000004721557 557586520 /nfs/dbraw/zinc/58/65/20/557586520.db2.gz BNTYLUPBYMPAHN-UHFFFAOYSA-N 0 0 408.808 8.306 40 0 HKABRN C[C@H]1N(C(=O)Nc2ccc(Cc3ccc(NC(=O)N4[C@H](C)C4(C)C)cc3)cc2)C1(C)C ZINC000004722668 557586662 /nfs/dbraw/zinc/58/66/62/557586662.db2.gz QCENSHYDVVBAGD-ZAOMLUCHSA-N 0 0 420.557 5.307 40 0 HKABRN C[C@@H]1N(C(=O)Nc2ccc(Cc3ccc(NC(=O)N4[C@@H](C)C4(C)C)cc3)cc2)C1(C)C ZINC000004722674 557586716 /nfs/dbraw/zinc/58/67/16/557586716.db2.gz QCENSHYDVVBAGD-ABRRJZJYSA-N 0 0 420.557 5.307 40 0 HKABRN COc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(-c3ccncc3)n2)cc1 ZINC000004722748 557586743 /nfs/dbraw/zinc/58/67/43/557586743.db2.gz ULCCDONYXTVGGL-UHFFFAOYSA-N 0 0 408.288 6.188 40 0 HKABRN c1ccc(C2(c3ccccc3)OC(c3ccccc3)(c3ccccc3)c3ccccc32)cc1 ZINC000004722995 557586669 /nfs/dbraw/zinc/58/66/69/557586669.db2.gz GFKWNKDRODJUHB-UHFFFAOYSA-N 0 0 424.543 7.301 40 0 HKABRN O=C(CSc1nc2ccccc2n1Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000004725909 560608468 /nfs/dbraw/zinc/60/84/68/560608468.db2.gz QJUNQAHWCJLTFI-UHFFFAOYSA-N 0 0 416.590 5.962 40 0 HKABRN O=C1c2[nH]c3ccccc3c2[C@@H](c2ccc(F)cc2F)OCCN1Cc1ccccc1 ZINC000004726105 568934272 /nfs/dbraw/zinc/93/42/72/568934272.db2.gz FVOMVPKNBCHBIQ-XMMPIXPASA-N 0 0 418.443 5.208 40 0 HKABRN O=C1c2[nH]c3ccccc3c2[C@H](c2ccc(F)cc2F)OCCN1Cc1ccccc1 ZINC000004726106 568934249 /nfs/dbraw/zinc/93/42/49/568934249.db2.gz FVOMVPKNBCHBIQ-DEOSSOPVSA-N 0 0 418.443 5.208 40 0 HKABRN O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1Cc1ccc(Cl)cc1 ZINC000004727905 568934244 /nfs/dbraw/zinc/93/42/44/568934244.db2.gz JXMLBUNTPKHLPK-NTEUORMPSA-N 0 0 407.300 5.922 40 0 HKABRN O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1Cc1ccccc1Cl ZINC000004727931 568934362 /nfs/dbraw/zinc/93/43/62/568934362.db2.gz DMVKLCNQHUGQIK-SDNWHVSQSA-N 0 0 407.300 5.922 40 0 HKABRN CC1(C)C[C@@]23Oc4ccccc4N2C(c2ccccc2)=C[C@@H](c2ccccc2)[C@@H]3CO1 ZINC000004729518 568419474 /nfs/dbraw/zinc/41/94/74/568419474.db2.gz FVYWBKDBHKJWES-LXWOLXCRSA-N 0 0 409.529 6.235 40 0 HKABRN CC1(C)C[C@@]23Oc4ccccc4N2C(c2ccccc2)=C[C@@H](c2ccccc2)[C@H]3CO1 ZINC000004729522 568419476 /nfs/dbraw/zinc/41/94/76/568419476.db2.gz FVYWBKDBHKJWES-JWZKTCGFSA-N 0 0 409.529 6.235 40 0 HKABRN c1ccc([C@H]2C3=C(c4ccccc4CC3)N3c4ccccc4O[C@]34CCCC[C@@H]24)cc1 ZINC000004729853 568419442 /nfs/dbraw/zinc/41/94/42/568419442.db2.gz SZOCNTHWLVFMCN-KMDNEMHUSA-N 0 0 405.541 6.927 40 0 HKABRN c1ccc([C@H]2C3=C(c4ccccc4CC3)N3c4ccccc4O[C@]34CCCC[C@H]24)cc1 ZINC000004729856 568419475 /nfs/dbraw/zinc/41/94/75/568419475.db2.gz SZOCNTHWLVFMCN-QXGAZULMSA-N 0 0 405.541 6.927 40 0 HKABRN CCOc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)[C@@H](C)[C@@H]2CC)cc1 ZINC000004733116 560608503 /nfs/dbraw/zinc/60/85/03/560608503.db2.gz OQZNSCZZVINNGJ-YLORPAJWSA-N 0 0 414.549 6.314 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2nc(-c3cccc4ccccc43)cs2)cc1 ZINC000004745656 571306762 /nfs/dbraw/zinc/30/67/62/571306762.db2.gz MBZQRBQHKYEXEE-UHFFFAOYSA-N 0 0 402.519 6.395 40 0 HKABRN O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C12CC3CC(CC(C3)C1)C2 ZINC000004746830 560736378 /nfs/dbraw/zinc/73/63/78/560736378.db2.gz FEXPVMZQTIFPAW-UHFFFAOYSA-N 0 0 414.574 6.632 40 0 HKABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000004747543 560736346 /nfs/dbraw/zinc/73/63/46/560736346.db2.gz NUXYEQSDBYSKIR-UHFFFAOYSA-N 0 0 400.261 5.485 40 0 HKABRN COc1ccc([C@]23c4ccccc4[C@@]2(c2ccc(OC)cc2)c2ccc(OC)cc23)cc1 ZINC000004747910 557592329 /nfs/dbraw/zinc/59/23/29/557592329.db2.gz NQPUVLZZUVMTFE-URLMMPGGSA-N 0 0 420.508 5.708 40 0 HKABRN COc1ccc([C@]23c4ccccc4[C@]2(c2ccc(OC)cc2)c2cc(OC)ccc23)cc1 ZINC000004747911 557592313 /nfs/dbraw/zinc/59/23/13/557592313.db2.gz NQPUVLZZUVMTFE-FQLXRVMXSA-N 0 0 420.508 5.708 40 0 HKABRN COc1ccc([C@@]23c4ccccc4[C@@]2(c2ccc(OC)cc2)c2cc(OC)ccc23)cc1 ZINC000004747912 557592335 /nfs/dbraw/zinc/59/23/35/557592335.db2.gz NQPUVLZZUVMTFE-VMPREFPWSA-N 0 0 420.508 5.708 40 0 HKABRN COc1ccc([C@]23c4ccccc4[C@@]2(c2ccc(OC)cc2)c2cc(OC)ccc23)cc1 ZINC000004747913 557592288 /nfs/dbraw/zinc/59/22/88/557592288.db2.gz NQPUVLZZUVMTFE-WDYNHAJCSA-N 0 0 420.508 5.708 40 0 HKABRN CC1(C)[C@@H]2C[C@H]1[C@@H](CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl)CC2 ZINC000004748197 557592323 /nfs/dbraw/zinc/59/23/23/557592323.db2.gz UGOBKUJFKZIHDK-AGIUHOORSA-N 0 0 405.749 6.031 40 0 HKABRN CC1(C)[C@@H]2C[C@H]1[C@H](CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl)CC2 ZINC000004748198 557592308 /nfs/dbraw/zinc/59/23/08/557592308.db2.gz UGOBKUJFKZIHDK-AVGNSLFASA-N 0 0 405.749 6.031 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1Br ZINC000004749082 560608526 /nfs/dbraw/zinc/60/85/26/560608526.db2.gz XKBPAUGZXYRROF-UHFFFAOYSA-N 0 0 408.295 5.671 40 0 HKABRN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000004749096 560608510 /nfs/dbraw/zinc/60/85/10/560608510.db2.gz FJTLSFFOLLEWJT-UHFFFAOYSA-N 0 0 413.329 6.831 40 0 HKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)/C(Br)=C\c1ccccc1 ZINC000004749810 568934567 /nfs/dbraw/zinc/93/45/67/568934567.db2.gz NLOHILYCUOOSJA-RCCKNPSSSA-N 0 0 408.295 5.640 40 0 HKABRN C[C@]12C[C@H](CC(C)(C)C1)N(c1nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n1)C2 ZINC000004757700 569323204 /nfs/dbraw/zinc/32/32/04/569323204.db2.gz QKCZBQGNBAWCDZ-YWZLYKJASA-N 0 0 409.883 6.221 40 0 HKABRN C[C@@]12C[C@@H](CC(C)(C)C1)N(c1nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n1)C2 ZINC000004757702 569323181 /nfs/dbraw/zinc/32/31/81/569323181.db2.gz QKCZBQGNBAWCDZ-FOIQADDNSA-N 0 0 409.883 6.221 40 0 HKABRN COc1ccccc1-c1cc(C(F)(F)F)nc(N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)n1 ZINC000004757734 568419997 /nfs/dbraw/zinc/41/99/97/568419997.db2.gz QTODJWROFYDYQA-QKKBWIMNSA-N 0 0 405.464 5.576 40 0 HKABRN COc1ccccc1-c1cc(C(F)(F)F)nc(N2C[C@]3(C)C[C@H]2CC(C)(C)C3)n1 ZINC000004757735 568420027 /nfs/dbraw/zinc/42/00/27/568420027.db2.gz QTODJWROFYDYQA-SPLOXXLWSA-N 0 0 405.464 5.576 40 0 HKABRN COc1cccc(-c2cc(C(F)(F)F)nc(N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)n2)c1 ZINC000004757749 569323239 /nfs/dbraw/zinc/32/32/39/569323239.db2.gz TVGVACZMYUWTHM-BTYIYWSLSA-N 0 0 405.464 5.576 40 0 HKABRN COc1cccc(-c2cc(C(F)(F)F)nc(N3C[C@]4(C)C[C@H]3CC(C)(C)C4)n2)c1 ZINC000004757750 569323266 /nfs/dbraw/zinc/32/32/66/569323266.db2.gz TVGVACZMYUWTHM-QVKFZJNVSA-N 0 0 405.464 5.576 40 0 HKABRN CC(C)CC(C)(C)COP(OCC(C)(C)CC(C)C)OCC(C)(C)CC(C)C ZINC000004758258 557595080 /nfs/dbraw/zinc/59/50/80/557595080.db2.gz NGMDCRGEQRMHJB-UHFFFAOYSA-N 0 0 418.643 8.480 40 0 HKABRN C[C@@H](CCC(=O)c1ccccc1)[C@@H]1CC[C@H]2[C@H]3CC[C@H](CCO)C[C@@H]3C[C@@H](O)[C@]12C ZINC000004758466 557595072 /nfs/dbraw/zinc/59/50/72/557595072.db2.gz XABOCDPPAPNLAE-FOAFDWHNSA-N 0 0 412.614 5.498 40 0 HKABRN C[C@H](CCC(=O)c1ccccc1)[C@@H]1CC[C@H]2[C@H]3CC[C@H](CCO)C[C@@H]3C[C@@H](O)[C@]12C ZINC000004758467 557595018 /nfs/dbraw/zinc/59/50/18/557595018.db2.gz XABOCDPPAPNLAE-FAXVDJDWSA-N 0 0 412.614 5.498 40 0 HKABRN C[C@@H](CCC(=O)c1ccccc1)[C@H]1CC[C@H]2[C@H]3CC[C@H](CCO)C[C@@H]3C[C@@H](O)[C@]12C ZINC000004758468 557595091 /nfs/dbraw/zinc/59/50/91/557595091.db2.gz XABOCDPPAPNLAE-NDGYWKRQSA-N 0 0 412.614 5.498 40 0 HKABRN C[C@H](CCC(=O)c1ccccc1)[C@H]1CC[C@H]2[C@H]3CC[C@H](CCO)C[C@@H]3C[C@@H](O)[C@]12C ZINC000004758469 557595285 /nfs/dbraw/zinc/59/52/85/557595285.db2.gz XABOCDPPAPNLAE-SRTZEIRYSA-N 0 0 412.614 5.498 40 0 HKABRN OC1(c2ccccc2C(c2ccccc2)c2ccccc2)c2ccccc2-c2ccccc21 ZINC000004769009 557596148 /nfs/dbraw/zinc/59/61/48/557596148.db2.gz OMNYPVHRRMVZQK-UHFFFAOYSA-N 0 0 424.543 7.131 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004769218 557596417 /nfs/dbraw/zinc/59/64/17/557596417.db2.gz KZIUQJZMWULELD-PGAJIAHISA-N 0 0 415.706 7.222 40 0 HKABRN CS[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 ZINC000004769391 557596424 /nfs/dbraw/zinc/59/64/24/557596424.db2.gz CSDNFDRMMGNTCT-PXBBAZSNSA-N 0 0 416.759 8.759 40 0 HKABRN Clc1ccc(-c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn32)c(Cl)c1 ZINC000004776361 568934452 /nfs/dbraw/zinc/93/44/52/568934452.db2.gz MOUTZEBLBQWFPG-UHFFFAOYSA-N 0 0 405.354 5.627 40 0 HKABRN CCCOc1ccc(-c2nn3c(nnc3-c3ccc(Cl)cc3Cl)s2)cc1 ZINC000004776380 568934423 /nfs/dbraw/zinc/93/44/23/568934423.db2.gz JNGLISISZBJLHF-UHFFFAOYSA-N 0 0 405.310 5.615 40 0 HKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(C)cc3Cl)sc2c1 ZINC000004776876 557596993 /nfs/dbraw/zinc/59/69/93/557596993.db2.gz LVJJRFSHFREOBO-UHFFFAOYSA-N 0 0 417.987 5.728 40 0 HKABRN COC(=O)CCCCCc1ccc(Cc2ccc(CCCCCC(=O)OC)cc2)cc1 ZINC000004783226 569255671 /nfs/dbraw/zinc/25/56/71/569255671.db2.gz OQCOGXDERXSULP-UHFFFAOYSA-N 0 0 424.581 5.829 40 0 HKABRN CCCC[C@H](CC)CSCCOC(C)OCCSC[C@@H](CC)CCCC ZINC000004783610 557597613 /nfs/dbraw/zinc/59/76/13/557597613.db2.gz KTDUKFNZFGTHEB-VXKWHMMOSA-N 0 0 406.742 7.265 40 0 HKABRN CCCC[C@@H](CC)CSCCOC(C)OCCSC[C@H](CC)CCCC ZINC000004783611 557597578 /nfs/dbraw/zinc/59/75/78/557597578.db2.gz KTDUKFNZFGTHEB-FGZHOGPDSA-N 0 0 406.742 7.265 40 0 HKABRN COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)O[C@H]1CCCC[C@H]21 ZINC000004783753 568420357 /nfs/dbraw/zinc/42/03/57/568420357.db2.gz ONNBSYIGYVFIKL-YWMUFLPLSA-N 0 0 403.316 5.612 40 0 HKABRN COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)O[C@H]1CCCC[C@H]21 ZINC000004783754 568420405 /nfs/dbraw/zinc/42/04/05/568420405.db2.gz ONNBSYIGYVFIKL-FYINFDKHSA-N 0 0 403.316 5.612 40 0 HKABRN COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)O[C@@H]1CCCC[C@H]21 ZINC000004783755 568420326 /nfs/dbraw/zinc/42/03/26/568420326.db2.gz ONNBSYIGYVFIKL-FPDPHYFHSA-N 0 0 403.316 5.612 40 0 HKABRN COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)O[C@@H]1CCCC[C@H]21 ZINC000004783756 568420324 /nfs/dbraw/zinc/42/03/24/568420324.db2.gz ONNBSYIGYVFIKL-FQELHTAISA-N 0 0 403.316 5.612 40 0 HKABRN COc1cc2c(cc1OC)[C@H](c1ccc3oc4ccccc4c3c1)O[C@H]1CCCC[C@H]21 ZINC000004783763 568420346 /nfs/dbraw/zinc/42/03/46/568420346.db2.gz BWCLFDYZBYENDD-YICQYGDHSA-N 0 0 414.501 6.749 40 0 HKABRN COc1cc2c(cc1OC)[C@@H](c1ccc3oc4ccccc4c3c1)O[C@H]1CCCC[C@H]21 ZINC000004783765 568420434 /nfs/dbraw/zinc/42/04/34/568420434.db2.gz BWCLFDYZBYENDD-OVEGOBCQSA-N 0 0 414.501 6.749 40 0 HKABRN COc1cc2c(cc1OC)[C@H](c1ccc3oc4ccccc4c3c1)O[C@@H]1CCCC[C@H]21 ZINC000004783767 568420311 /nfs/dbraw/zinc/42/03/11/568420311.db2.gz BWCLFDYZBYENDD-STBOBJEWSA-N 0 0 414.501 6.749 40 0 HKABRN COc1cc2c(cc1OC)[C@@H](c1ccc3oc4ccccc4c3c1)O[C@@H]1CCCC[C@H]21 ZINC000004783769 568420360 /nfs/dbraw/zinc/42/03/60/568420360.db2.gz BWCLFDYZBYENDD-YSLVQDFJSA-N 0 0 414.501 6.749 40 0 HKABRN CCOC(=O)c1ccc(-c2ccc([C@H]3O[C@H]4CCCC[C@H]4c4sccc43)o2)cc1 ZINC000004784292 568420437 /nfs/dbraw/zinc/42/04/37/568420437.db2.gz CRUCRXHYCUGCRX-AGHHOFFYSA-N 0 0 408.519 6.331 40 0 HKABRN CCOC(=O)c1ccc(-c2ccc([C@H]3O[C@H]4CCCC[C@@H]4c4sccc43)o2)cc1 ZINC000004784295 568420396 /nfs/dbraw/zinc/42/03/96/568420396.db2.gz CRUCRXHYCUGCRX-XJABCFGWSA-N 0 0 408.519 6.331 40 0 HKABRN COc1cc([C@H]2O[C@H]3CCCC[C@H]3c3sccc32)ccc1OCc1ccccc1 ZINC000004784299 568420638 /nfs/dbraw/zinc/42/06/38/568420638.db2.gz HKUBQVLWDXNOTL-NHCICSSKSA-N 0 0 406.547 6.482 40 0 HKABRN COc1cc([C@H]2O[C@H]3CCCC[C@@H]3c3sccc32)ccc1OCc1ccccc1 ZINC000004784303 568420649 /nfs/dbraw/zinc/42/06/49/568420649.db2.gz HKUBQVLWDXNOTL-ZCVJKFOLSA-N 0 0 406.547 6.482 40 0 HKABRN Clc1ccc(/C=C/c2nn3c(nnc3-c3ccc(Cl)cc3Cl)s2)cc1 ZINC000004784624 568934366 /nfs/dbraw/zinc/93/43/66/568934366.db2.gz RHVLEIBYGHOWMO-FPYGCLRLSA-N 0 0 407.713 5.983 40 0 HKABRN COc1cc2c(cc1OC)[C@H](c1cccc(Br)c1)O[C@H]1CCCC[C@H]21 ZINC000004788412 568420606 /nfs/dbraw/zinc/42/06/06/568420606.db2.gz BWNAZAWQUGLOEV-YWMUFLPLSA-N 0 0 403.316 5.612 40 0 HKABRN COc1cc2c(cc1OC)[C@@H](c1cccc(Br)c1)O[C@H]1CCCC[C@H]21 ZINC000004788415 568420618 /nfs/dbraw/zinc/42/06/18/568420618.db2.gz BWNAZAWQUGLOEV-FYINFDKHSA-N 0 0 403.316 5.612 40 0 HKABRN COc1cc2c(cc1OC)[C@H](c1cccc(Br)c1)O[C@@H]1CCCC[C@H]21 ZINC000004788418 568420621 /nfs/dbraw/zinc/42/06/21/568420621.db2.gz BWNAZAWQUGLOEV-FPDPHYFHSA-N 0 0 403.316 5.612 40 0 HKABRN COc1cc2c(cc1OC)[C@@H](c1cccc(Br)c1)O[C@@H]1CCCC[C@H]21 ZINC000004788423 568420666 /nfs/dbraw/zinc/42/06/66/568420666.db2.gz BWNAZAWQUGLOEV-FQELHTAISA-N 0 0 403.316 5.612 40 0 HKABRN CC[C@H]1[C@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)C)cc1 ZINC000004794243 560608817 /nfs/dbraw/zinc/60/88/17/560608817.db2.gz WOCICPKRZGZPEY-OICBGKIFSA-N 0 0 412.577 7.038 40 0 HKABRN CCN(CC)c1ccc(C(c2c(C)[nH]c3ccccc32)c2c(C)[nH]c3ccccc32)cc1 ZINC000004797570 560608834 /nfs/dbraw/zinc/60/88/34/560608834.db2.gz UJVSKQXDJMTPOV-UHFFFAOYSA-N 0 0 421.588 7.292 40 0 HKABRN CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cccc(Cl)c1 ZINC000004800578 560735917 /nfs/dbraw/zinc/73/59/17/560735917.db2.gz QXNFFCXZHXNWQS-UHFFFAOYSA-N 0 0 407.326 5.003 40 0 HKABRN CCCCOP(=O)(OCCCC)OP(=O)(OCCCC)OCCCC ZINC000004802597 557598955 /nfs/dbraw/zinc/59/89/55/557598955.db2.gz BFYHFSGFMZUISQ-UHFFFAOYSA-N 0 0 402.405 6.486 40 0 HKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H](CC(F)(F)F)C(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000004804015 557599156 /nfs/dbraw/zinc/59/91/56/557599156.db2.gz ZSYUPDORWXUGGF-HMIMPKTOSA-N 0 0 414.508 5.708 40 0 HKABRN CC(C)C1=CC2=CC[C@H]3[C@](C)(CCC[C@]3(C)COC(=O)CSC(C)(C)C)[C@@H]2CC1 ZINC000004804331 557599163 /nfs/dbraw/zinc/59/91/63/557599163.db2.gz XFHWWPKUODMDOZ-SAZLYLDSSA-N 0 0 418.687 7.197 40 0 HKABRN CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@]3(C)COC(=O)CSC(C)(C)C)[C@@H]2CC1 ZINC000004804332 557599151 /nfs/dbraw/zinc/59/91/51/557599151.db2.gz XFHWWPKUODMDOZ-USXZWKKNSA-N 0 0 418.687 7.197 40 0 HKABRN CC(C)C1=CC2=CC[C@@H]3[C@](C)(COC(=O)CSC(C)(C)C)CCC[C@]3(C)[C@@H]2CC1 ZINC000004804333 557599173 /nfs/dbraw/zinc/59/91/73/557599173.db2.gz XFHWWPKUODMDOZ-ULDOEVFSSA-N 0 0 418.687 7.197 40 0 HKABRN CC(C)C1=CC2=CC[C@H]3[C@](C)(COC(=O)CSC(C)(C)C)CCC[C@]3(C)[C@@H]2CC1 ZINC000004804335 557599189 /nfs/dbraw/zinc/59/91/89/557599189.db2.gz XFHWWPKUODMDOZ-FIKUDORNSA-N 0 0 418.687 7.197 40 0 HKABRN CCCCOC1=CC2=CC[C@H]3[C@@H]4CC[C@H](OC(=O)CC)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000004804994 557599193 /nfs/dbraw/zinc/59/91/93/557599193.db2.gz PGQVFZVRQGJBEV-IXKNJLPQSA-N 0 0 400.603 6.582 40 0 HKABRN CO[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 ZINC000004805107 557599203 /nfs/dbraw/zinc/59/92/03/557599203.db2.gz DSVYQBSADVVKNY-HHZNOXSWSA-N 0 0 400.691 7.733 40 0 HKABRN CCCCCCNc1nc2nc(NCCCCCC)nc(NCCCCCC)c2[nH]1 ZINC000004806113 557599339 /nfs/dbraw/zinc/59/93/39/557599339.db2.gz DXKYFAHADZYZQP-UHFFFAOYSA-N 0 0 417.646 6.330 40 0 HKABRN C[C@@H](NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2)c1ccccc1 ZINC000004812607 569323216 /nfs/dbraw/zinc/32/32/16/569323216.db2.gz BVWWUJHOFCBHGD-BJZITVGISA-N 0 0 414.431 5.034 40 0 HKABRN C[C@@H](NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2)c1ccccc1 ZINC000004812612 569323206 /nfs/dbraw/zinc/32/32/06/569323206.db2.gz BVWWUJHOFCBHGD-LSBZLQRGSA-N 0 0 414.431 5.034 40 0 HKABRN CCCCC(=O)Nc1cc(OCC)c(NC(=O)c2ccc(Cl)cc2)cc1OCC ZINC000004817612 557601532 /nfs/dbraw/zinc/60/15/32/557601532.db2.gz JPZONXRDMUYJTK-UHFFFAOYSA-N 0 0 418.921 5.518 40 0 HKABRN C[n+]1c(/C=C\c2ccc3cccc(OCc4ccccc4)c3n2)ccc2cccc([O-])c21 ZINC000004822028 557603257 /nfs/dbraw/zinc/60/32/57/557603257.db2.gz RJTSKCHSZXGLMX-UHFFFAOYSA-O 0 0 419.504 5.668 40 0 HKABRN O=C1C[C@@]2(c3ccccc31)c1ccccc1[C@]1(c3ccccc3)c3ccccc3C(=O)[C@H]21 ZINC000004831164 560736831 /nfs/dbraw/zinc/73/68/31/560736831.db2.gz FYBGQGQDKPCNAS-OCBJUFRSSA-N 0 0 412.488 5.720 40 0 HKABRN O=C1C[C@@]2(c3ccccc31)c1ccccc1[C@@]1(c3ccccc3)c3ccccc3C(=O)[C@@H]12 ZINC000004831165 560736758 /nfs/dbraw/zinc/73/67/58/560736758.db2.gz FYBGQGQDKPCNAS-IDZRBWSNSA-N 0 0 412.488 5.720 40 0 HKABRN O=C1C[C@@]2(c3ccccc31)c1ccccc1[C@]1(c3ccccc3)c3ccccc3C(=O)[C@@H]21 ZINC000004831166 560736772 /nfs/dbraw/zinc/73/67/72/560736772.db2.gz FYBGQGQDKPCNAS-JBOQNHBVSA-N 0 0 412.488 5.720 40 0 HKABRN O=C1C[C@@]2(c3ccccc31)c1ccccc1[C@@]1(c3ccccc3)c3ccccc3C(=O)[C@H]12 ZINC000004831167 560736837 /nfs/dbraw/zinc/73/68/37/560736837.db2.gz FYBGQGQDKPCNAS-FRXPANAUSA-N 0 0 412.488 5.720 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1 ZINC000004832497 560609162 /nfs/dbraw/zinc/60/91/62/560609162.db2.gz FPDUYFHKLDWOBS-UHFFFAOYSA-N 0 0 420.896 6.579 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)c1 ZINC000004832499 560609172 /nfs/dbraw/zinc/60/91/72/560609172.db2.gz OVFQLCRSJXBVIC-UHFFFAOYSA-N 0 0 400.478 6.234 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2ccc(-c3nc4cc(CC)ccc4o3)cc2)c1 ZINC000004832501 560609175 /nfs/dbraw/zinc/60/91/75/560609175.db2.gz LQKUXPCXWGQIQS-UHFFFAOYSA-N 0 0 414.505 6.488 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc3nn(-c4cccc(C)c4)nc3c2)cc1 ZINC000004832505 560609177 /nfs/dbraw/zinc/60/91/77/560609177.db2.gz SXCYNSGZIPSURU-UHFFFAOYSA-N 0 0 400.482 5.160 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1 ZINC000004832506 560609171 /nfs/dbraw/zinc/60/91/71/560609171.db2.gz KESUEOBEFXVZPQ-UHFFFAOYSA-N 0 0 400.482 5.160 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)/C(=C/c1ccccc1Cl)NC(=O)c1ccccc1 ZINC000004832637 560609150 /nfs/dbraw/zinc/60/91/50/560609150.db2.gz BFULMAQSQITCNH-ZHZULCJRSA-N 0 0 411.288 5.403 40 0 HKABRN Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)c1 ZINC000004835611 560736817 /nfs/dbraw/zinc/73/68/17/560736817.db2.gz CNODQHOFPIMCCZ-UHFFFAOYSA-N 0 0 418.497 5.113 40 0 HKABRN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000004836008 560609250 /nfs/dbraw/zinc/60/92/50/560609250.db2.gz IWILMKPOAUNXGT-UHFFFAOYSA-N 0 0 423.622 6.253 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl ZINC000004836009 560609221 /nfs/dbraw/zinc/60/92/21/560609221.db2.gz ITFDQXPTNQCFIK-UHFFFAOYSA-N 0 0 415.986 5.917 40 0 HKABRN O=S(=O)(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc(Cl)c1 ZINC000004836010 560609279 /nfs/dbraw/zinc/60/92/79/560609279.db2.gz VXGPNJSFHLLPNQ-UHFFFAOYSA-N 0 0 401.959 5.609 40 0 HKABRN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000004836012 560609271 /nfs/dbraw/zinc/60/92/71/560609271.db2.gz OUHBXOHAICMJBD-UHFFFAOYSA-N 0 0 409.551 5.158 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(CC)ccc4o3)c2)c1 ZINC000004837919 560609212 /nfs/dbraw/zinc/60/92/12/560609212.db2.gz AXUBKLJINZQYHF-UHFFFAOYSA-N 0 0 414.505 6.488 40 0 HKABRN O=C(Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1cccc2ccccc21 ZINC000004838539 560609267 /nfs/dbraw/zinc/60/92/67/560609267.db2.gz MSMGBHZJOXYDBQ-UHFFFAOYSA-N 0 0 414.464 7.054 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1 ZINC000004838554 560609263 /nfs/dbraw/zinc/60/92/63/560609263.db2.gz LIADKDAGOANNMG-UHFFFAOYSA-N 0 0 402.519 6.395 40 0 HKABRN Cc1occc1-c1nnc(S[C@@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)n1-c1ccccc1 ZINC000004843398 560609419 /nfs/dbraw/zinc/60/94/19/560609419.db2.gz HXTAHZCYGKCMSJ-BQFCYCMXSA-N 0 0 424.570 5.106 40 0 HKABRN Cc1ccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 ZINC000004845666 560736897 /nfs/dbraw/zinc/73/68/97/560736897.db2.gz OIVNNTPNVGFELQ-UHFFFAOYSA-N 0 0 410.433 6.102 40 0 HKABRN CC(C)c1nc2sc3c(c2c(SCC(=O)OC2CCCCC2)n1)CC[C@@H](C)C3 ZINC000004847492 560609429 /nfs/dbraw/zinc/60/94/29/560609429.db2.gz MIRJRUGZZZIFPD-CQSZACIVSA-N 0 0 418.628 5.908 40 0 HKABRN CC(C)c1nc2sc3c(c2c(SCC(=O)OC2CCCCC2)n1)CC[C@H](C)C3 ZINC000004847493 560609409 /nfs/dbraw/zinc/60/94/09/560609409.db2.gz MIRJRUGZZZIFPD-AWEZNQCLSA-N 0 0 418.628 5.908 40 0 HKABRN CCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1C ZINC000004847992 560609677 /nfs/dbraw/zinc/60/96/77/560609677.db2.gz CRRRQSSZVULSMZ-QHCPKHFHSA-N 0 0 412.599 5.028 40 0 HKABRN CCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1C ZINC000004847993 560609622 /nfs/dbraw/zinc/60/96/22/560609622.db2.gz CRRRQSSZVULSMZ-HSZRJFAPSA-N 0 0 412.599 5.028 40 0 HKABRN CC(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)C2CC2)cc1 ZINC000004847996 560609649 /nfs/dbraw/zinc/60/96/49/560609649.db2.gz DIDSTWGTJQXCBC-DEOSSOPVSA-N 0 0 424.610 5.205 40 0 HKABRN CC(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)C2CC2)cc1 ZINC000004847997 560609637 /nfs/dbraw/zinc/60/96/37/560609637.db2.gz DIDSTWGTJQXCBC-XMMPIXPASA-N 0 0 424.610 5.205 40 0 HKABRN CCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000004848002 560609620 /nfs/dbraw/zinc/60/96/20/560609620.db2.gz GGKVHEWCCSTSTP-QHCPKHFHSA-N 0 0 412.599 5.028 40 0 HKABRN CCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000004848003 560609645 /nfs/dbraw/zinc/60/96/45/560609645.db2.gz GGKVHEWCCSTSTP-HSZRJFAPSA-N 0 0 412.599 5.028 40 0 HKABRN O=C(Cc1cccs1)N(c1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000004848010 560609631 /nfs/dbraw/zinc/60/96/31/560609631.db2.gz BBSPYSLELJHIPI-DEOSSOPVSA-N 0 0 418.562 5.124 40 0 HKABRN O=C(Cc1cccs1)N(c1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000004848011 560609665 /nfs/dbraw/zinc/60/96/65/560609665.db2.gz BBSPYSLELJHIPI-XMMPIXPASA-N 0 0 418.562 5.124 40 0 HKABRN Cc1sc2nc(C3CCCCC3)nc(SCC(=O)NCc3ccco3)c2c1C ZINC000004848090 560609805 /nfs/dbraw/zinc/60/98/05/560609805.db2.gz HZEGGSFIUROHKP-UHFFFAOYSA-N 0 0 415.584 5.357 40 0 HKABRN Cc1sc2nc(C3CCCCC3)nc(SCC(=O)NC3CCCC3)c2c1C ZINC000004848092 560609756 /nfs/dbraw/zinc/60/97/56/560609756.db2.gz QAVLZAQDSZWNAT-UHFFFAOYSA-N 0 0 403.617 5.507 40 0 HKABRN Cc1cc(NC(=O)CSc2nc(C3CCCCC3)nc3sc(C)c(C)c32)no1 ZINC000004848097 560609759 /nfs/dbraw/zinc/60/97/59/560609759.db2.gz OXRAGFGXCBMAJH-UHFFFAOYSA-N 0 0 416.572 5.383 40 0 HKABRN Cc1sc2nc(C3CCCCC3)nc(SCC(=O)Nc3nccs3)c2c1C ZINC000004848101 560609796 /nfs/dbraw/zinc/60/97/96/560609796.db2.gz NLPZLSHJKLOSMF-UHFFFAOYSA-N 0 0 418.613 5.543 40 0 HKABRN Cc1sc2nc(C3CCCCC3)nc(SCC(=O)c3cccs3)c2c1C ZINC000004848102 560609775 /nfs/dbraw/zinc/60/97/75/560609775.db2.gz PYIZGMOBDHKUQJ-UHFFFAOYSA-N 0 0 402.610 6.392 40 0 HKABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)OC4CCCCC4)nnc3c2c1C ZINC000004848139 557606102 /nfs/dbraw/zinc/60/61/02/557606102.db2.gz RIFKQCCWYKNNRP-UHFFFAOYSA-N 0 0 418.588 5.047 40 0 HKABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)c4ccc(F)cc4)nnc3c2c1C ZINC000004848143 560609794 /nfs/dbraw/zinc/60/97/94/560609794.db2.gz PRNFGEYWNQBVCI-UHFFFAOYSA-N 0 0 414.531 5.193 40 0 HKABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)c4ccc(C)cc4)nnc3c2c1C ZINC000004848144 560609803 /nfs/dbraw/zinc/60/98/03/560609803.db2.gz VQUHJIBVGHSZQM-UHFFFAOYSA-N 0 0 410.568 5.363 40 0 HKABRN CCCCc1nc2c(ncc(NC(=O)Nc3ccccc3)c2C)n1Cc1ccccc1 ZINC000004848154 560609829 /nfs/dbraw/zinc/60/98/29/560609829.db2.gz AMSXKFYSAMETQF-UHFFFAOYSA-N 0 0 413.525 5.775 40 0 HKABRN CN(C)c1ccc(-c2nc3ccc(Cl)cn3c2NCc2ccc3c(c2)OCO3)cc1 ZINC000004848476 560610168 /nfs/dbraw/zinc/61/01/68/560610168.db2.gz TYQMHUJGSHSQTR-UHFFFAOYSA-N 0 0 420.900 5.062 40 0 HKABRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000004848490 560610165 /nfs/dbraw/zinc/61/01/65/560610165.db2.gz BMQKHZVQKMADEW-UHFFFAOYSA-N 0 0 408.914 5.518 40 0 aggregator HKABRN CCCCc1nc2cc(NC(=O)C(C)(C)C)c(C)nc2n1Cc1cccc(Cl)c1 ZINC000004848510 560610272 /nfs/dbraw/zinc/61/02/72/560610272.db2.gz ILAWZQLAPJKKBF-UHFFFAOYSA-N 0 0 412.965 5.769 40 0 HKABRN CCCCc1nc2cc(NC(=O)Nc3ccccc3)c(C)nc2n1Cc1ccccc1 ZINC000004848517 560610268 /nfs/dbraw/zinc/61/02/68/560610268.db2.gz XHWBDFIKNCFMEJ-UHFFFAOYSA-N 0 0 413.525 5.775 40 0 HKABRN CCCCC(=O)Nc1cc2nc(CCCC)n(Cc3cccc(OC)c3)c2nc1C ZINC000004848521 560610265 /nfs/dbraw/zinc/61/02/65/560610265.db2.gz ZLNPAVDXLNOXER-UHFFFAOYSA-N 0 0 408.546 5.268 40 0 HKABRN CCCCC(=O)Nc1cc2nc(CCCC)n(Cc3ccccc3OC)c2nc1C ZINC000004848522 560610250 /nfs/dbraw/zinc/61/02/50/560610250.db2.gz WLLAYMSEZGBJFR-UHFFFAOYSA-N 0 0 408.546 5.268 40 0 HKABRN CCCCC(=O)Nc1cc2nc(CCCC)n(Cc3ccc(OC)cc3)c2nc1C ZINC000004848523 560610277 /nfs/dbraw/zinc/61/02/77/560610277.db2.gz PRFUVZRQOLFULA-UHFFFAOYSA-N 0 0 408.546 5.268 40 0 HKABRN COc1ccc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc1 ZINC000004848618 560610251 /nfs/dbraw/zinc/61/02/51/560610251.db2.gz WTJBSQTXVAZBDV-UHFFFAOYSA-N 0 0 414.530 5.565 40 0 aggregator HKABRN COc1ccccc1NC(=O)CSc1nc2ccccc2cc1Cc1ccccc1 ZINC000004848619 560610264 /nfs/dbraw/zinc/61/02/64/560610264.db2.gz UMMOQLVWUBNHET-UHFFFAOYSA-N 0 0 414.530 5.565 40 0 HKABRN Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2cc1Cc1ccccc1 ZINC000004848621 560610266 /nfs/dbraw/zinc/61/02/66/560610266.db2.gz YFBCUMPSEZRDFD-UHFFFAOYSA-N 0 0 412.558 6.173 40 0 HKABRN O=C(CSc1nc2ccccc2cc1Cc1ccccc1)Nc1ccccc1Cl ZINC000004848622 560610358 /nfs/dbraw/zinc/61/03/58/560610358.db2.gz QEAJHUSGNCOUEA-UHFFFAOYSA-N 0 0 418.949 6.210 40 0 HKABRN COc1cccc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)c1 ZINC000004848624 560610325 /nfs/dbraw/zinc/61/03/25/560610325.db2.gz QKEVAXQWLSDZKP-UHFFFAOYSA-N 0 0 414.530 5.565 40 0 aggregator HKABRN Cc1nc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)sc1C ZINC000004848627 560610364 /nfs/dbraw/zinc/61/03/64/560610364.db2.gz KMTMSJMANUDYJM-UHFFFAOYSA-N 0 0 419.575 5.630 40 0 HKABRN CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000004848633 560610314 /nfs/dbraw/zinc/61/03/14/560610314.db2.gz LRUGWCCWYPPKGZ-UHFFFAOYSA-N 0 0 404.457 5.855 40 0 HKABRN CCOc1ccc2nc3sc(C(=O)N4c5ccccc5C[C@@H]4C)c(N)c3cc2c1 ZINC000004848821 560610321 /nfs/dbraw/zinc/61/03/21/560610321.db2.gz WBQYHBIEEBGHOW-ZDUSSCGKSA-N 0 0 403.507 5.022 40 0 HKABRN CCOc1ccc2nc3sc(C(=O)N4c5ccccc5C[C@H]4C)c(N)c3cc2c1 ZINC000004848822 560610346 /nfs/dbraw/zinc/61/03/46/560610346.db2.gz 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CCc1cc2cc(C)c(C)cc2nc1SCC(=O)Nc1cc(OC)ccc1OC ZINC000004849434 560610650 /nfs/dbraw/zinc/61/06/50/560610650.db2.gz LOFMSRWEBWOQCB-UHFFFAOYSA-N 0 0 410.539 5.162 40 0 HKABRN CCc1cc2cc(C)c(C)cc2nc1SCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000004849437 560610682 /nfs/dbraw/zinc/61/06/82/560610682.db2.gz FTLYKSBRXNQWHM-UHFFFAOYSA-N 0 0 407.539 5.103 40 0 HKABRN CCc1cc2c(C)cc(C)cc2nc1SCC(=O)Nc1ccc(OC)cc1OC ZINC000004849453 560610654 /nfs/dbraw/zinc/61/06/54/560610654.db2.gz QMBPNTVZNMUGOE-UHFFFAOYSA-N 0 0 410.539 5.162 40 0 HKABRN CCc1cc2c(C)cc(C)cc2nc1SCC(=O)Nc1cc(OC)ccc1OC ZINC000004849454 560610668 /nfs/dbraw/zinc/61/06/68/560610668.db2.gz FMZKIGNSJDXVFT-UHFFFAOYSA-N 0 0 410.539 5.162 40 0 HKABRN CCc1cc2c(C)cc(C)cc2nc1SCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000004849457 560610659 /nfs/dbraw/zinc/61/06/59/560610659.db2.gz AUTMVZWVVFWMQO-UHFFFAOYSA-N 0 0 407.539 5.103 40 0 HKABRN CCc1cc2c(C)cc(C)cc2nc1SCC(=O)Nc1cccc(NC(C)=O)c1 ZINC000004849465 560610667 /nfs/dbraw/zinc/61/06/67/560610667.db2.gz 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CCCCc1nc2cc(NC(C)=O)c(C)nc2n1Cc1cccc(C(F)(F)F)c1 ZINC000004853811 560611766 /nfs/dbraw/zinc/61/17/66/560611766.db2.gz NUNMXDNPANWZOK-UHFFFAOYSA-N 0 0 404.436 5.108 40 0 HKABRN Clc1cccc(-n2c3nc4ccccc4nc3s/c2=N/Cc2ccccc2)c1 ZINC000004853958 560611786 /nfs/dbraw/zinc/61/17/86/560611786.db2.gz CWGFGPUZOIFAIK-ZNTNEXAZSA-N 0 0 402.910 5.390 40 0 HKABRN O=C1C(Nc2ccc(Cl)cc2)=C[C@@H](c2cccc(F)c2)N1c1ccc(Cl)cc1 ZINC000004854542 560611762 /nfs/dbraw/zinc/61/17/62/560611762.db2.gz CHIOJYKYDDJNKL-NRFANRHFSA-N 0 0 413.279 6.216 40 0 HKABRN O=C1C(Nc2ccc(Cl)cc2)=C[C@H](c2cccc(F)c2)N1c1ccc(Cl)cc1 ZINC000004854544 560611843 /nfs/dbraw/zinc/61/18/43/560611843.db2.gz CHIOJYKYDDJNKL-OAQYLSRUSA-N 0 0 413.279 6.216 40 0 HKABRN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccccc1OCc1ccccc1Cl ZINC000004854630 560611860 /nfs/dbraw/zinc/61/18/60/560611860.db2.gz UOBPFBVHLVPAKT-MOSHPQCFSA-N 0 0 407.828 5.403 40 0 HKABRN O=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1 ZINC000004855940 560611990 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O=C(CSc1nc2cc(Cl)ccc2c2c1CCCC2)N1CCCc2ccccc21 ZINC000004858574 560612238 /nfs/dbraw/zinc/61/22/38/560612238.db2.gz ZUXJKZBDTZHYFL-UHFFFAOYSA-N 0 0 422.981 5.839 40 0 HKABRN CCOc1ccccc1NC(=S)N1CCC[C@H](c2nc3cc(C)c(C)cc3[nH]2)C1 ZINC000004858927 560612591 /nfs/dbraw/zinc/61/25/91/560612591.db2.gz PCXINWUSMNEJAK-KRWDZBQOSA-N 0 0 408.571 5.155 40 0 HKABRN CCOc1ccccc1NC(=S)N1CCC[C@@H](c2nc3cc(C)c(C)cc3[nH]2)C1 ZINC000004858928 560612567 /nfs/dbraw/zinc/61/25/67/560612567.db2.gz PCXINWUSMNEJAK-QGZVFWFLSA-N 0 0 408.571 5.155 40 0 HKABRN Cc1cccc(NC(=S)N(CCc2nc3ccccc3[nH]2)Cc2ccccc2)c1 ZINC000004858971 557607419 /nfs/dbraw/zinc/60/74/19/557607419.db2.gz MQMCIVYMIDAYLI-UHFFFAOYSA-N 0 0 400.551 5.313 40 0 HKABRN COc1cccc(NC(=S)N(CCc2nc3ccccc3[nH]2)C2CCCCC2)c1 ZINC000004858974 560612659 /nfs/dbraw/zinc/61/26/59/560612659.db2.gz GFTXSAMPVXRTHB-UHFFFAOYSA-N 0 0 408.571 5.146 40 0 HKABRN COc1ccc(NC(=S)N(CCc2nc3ccccc3[nH]2)C2CCCCC2)cc1 ZINC000004858977 560612662 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C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3cc(Cl)ccc3c3c2CCCC3)C1 ZINC000004859079 560612675 /nfs/dbraw/zinc/61/26/75/560612675.db2.gz CUKUAOUAQXWVAO-GJZGRUSLSA-N 0 0 402.991 5.364 40 0 HKABRN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3cc(Cl)ccc3c3c2CCCC3)C1 ZINC000004859080 560612655 /nfs/dbraw/zinc/61/26/55/560612655.db2.gz CUKUAOUAQXWVAO-HUUCEWRRSA-N 0 0 402.991 5.364 40 0 HKABRN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1[C@@H](C)c1ccccc1 ZINC000004860336 560613196 /nfs/dbraw/zinc/61/31/96/560613196.db2.gz TWXBBNZGNDAXBJ-INIZCTEOSA-N 0 0 418.522 5.187 40 0 HKABRN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1[C@H](C)c1ccccc1 ZINC000004860338 560613187 /nfs/dbraw/zinc/61/31/87/560613187.db2.gz TWXBBNZGNDAXBJ-MRXNPFEDSA-N 0 0 418.522 5.187 40 0 HKABRN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccoc2C)n1CC(C)C ZINC000004860497 560613280 /nfs/dbraw/zinc/61/32/80/560613280.db2.gz HPENZOMXIMHEKT-UHFFFAOYSA-N 0 0 412.559 5.104 40 0 HKABRN CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccoc1C ZINC000004860609 560613366 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Cc1cc(C)c2nc(Cl)c(CN(C(=O)c3ccccc3C)C3CCCCC3)cc2c1 ZINC000004861282 560613894 /nfs/dbraw/zinc/61/38/94/560613894.db2.gz GPTADKIGBWIXTL-UHFFFAOYSA-N 0 0 420.984 6.789 40 0 HKABRN Cc1cccc(C(=O)N(Cc2cc3cc(C)cc(C)c3nc2Cl)C2CCCCC2)c1 ZINC000004861283 560613893 /nfs/dbraw/zinc/61/38/93/560613893.db2.gz FNYHDAQMOPAHGD-UHFFFAOYSA-N 0 0 420.984 6.789 40 0 HKABRN Cc1ccc(C(=O)N(Cc2cc3cc(C)cc(C)c3nc2Cl)C2CCCCC2)cc1 ZINC000004861284 560613887 /nfs/dbraw/zinc/61/38/87/560613887.db2.gz AKWVYAFWMIDASW-UHFFFAOYSA-N 0 0 420.984 6.789 40 0 HKABRN Cc1cc(C)c2nc(Cl)c(CN(C(=O)c3ccccc3F)C3CCCCC3)cc2c1 ZINC000004861285 560613859 /nfs/dbraw/zinc/61/38/59/560613859.db2.gz VBVHBJUZQJDPSS-UHFFFAOYSA-N 0 0 424.947 6.619 40 0 HKABRN Cc1cc(C)c2nc(Cl)c(CN(C(=O)c3cccc(F)c3)C3CCCCC3)cc2c1 ZINC000004861286 560613892 /nfs/dbraw/zinc/61/38/92/560613892.db2.gz HQFGNIQOLNXCTJ-UHFFFAOYSA-N 0 0 424.947 6.619 40 0 HKABRN Cc1cc(C)c2nc(Cl)c(CN(C(=O)c3ccc(F)cc3)C3CCCCC3)cc2c1 ZINC000004861287 560613901 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CCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2nc1Cl ZINC000004880813 560614587 /nfs/dbraw/zinc/61/45/87/560614587.db2.gz ZNGOMPUSOHGCCA-UHFFFAOYSA-N 0 0 410.901 5.173 40 0 HKABRN CCCN(C(=O)Cc1cccc(OC)c1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000004880820 560614566 /nfs/dbraw/zinc/61/45/66/560614566.db2.gz UHWVXGHBEPEGQW-UHFFFAOYSA-N 0 0 423.582 5.497 40 0 HKABRN COCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(=O)Nc1ccccc1C ZINC000004880833 560614698 /nfs/dbraw/zinc/61/46/98/560614698.db2.gz RYNPBNDKHMHOMD-UHFFFAOYSA-N 0 0 411.933 5.494 40 0 HKABRN COCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(=O)Nc1ccccc1F ZINC000004880842 560614690 /nfs/dbraw/zinc/61/46/90/560614690.db2.gz KARFKLRUSFEMFP-UHFFFAOYSA-N 0 0 415.896 5.325 40 0 HKABRN Cc1ccc(C(=O)N(CC(C)C)c2nnc(-c3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000004880848 560614697 /nfs/dbraw/zinc/61/46/97/560614697.db2.gz MQFCRSURCHLYGD-UHFFFAOYSA-N 0 0 407.583 6.114 40 0 HKABRN CC(C)CN(C(=O)/C=C/c1ccccc1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000004880867 560614687 /nfs/dbraw/zinc/61/46/87/560614687.db2.gz IYGMOARQQSEHMM-LFIBNONCSA-N 0 0 419.594 6.205 40 0 HKABRN COc1ccccc1C(=O)N(CC(C)C)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000004880872 560614706 /nfs/dbraw/zinc/61/47/06/560614706.db2.gz BUCMHTFMNXNQAV-UHFFFAOYSA-N 0 0 423.582 5.814 40 0 HKABRN Cc1cc(C)c2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)C3CCC3)cc2c1 ZINC000004880878 560614707 /nfs/dbraw/zinc/61/47/07/560614707.db2.gz GXBUQLKEIMSNFO-UHFFFAOYSA-N 0 0 410.920 5.973 40 0 HKABRN CC(C)CN(C(=O)CCC1CCCC1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000004880880 560614681 /nfs/dbraw/zinc/61/46/81/560614681.db2.gz DQKBTOVGXPPGDA-UHFFFAOYSA-N 0 0 413.631 6.462 40 0 HKABRN Cc1ccc(CN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)c2ccco2)cc1 ZINC000004880897 560614686 /nfs/dbraw/zinc/61/46/86/560614686.db2.gz HRUVBJVGHCPFBR-UHFFFAOYSA-N 0 0 418.924 6.249 40 0 HKABRN COCCN(Cc1cc2cc(C)cc(C)c2nc1Cl)C(=O)Nc1ccccc1F ZINC000004880912 560614702 /nfs/dbraw/zinc/61/47/02/560614702.db2.gz YLOXNEBQHJWHKE-UHFFFAOYSA-N 0 0 415.896 5.325 40 0 HKABRN CCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2nc1Cl ZINC000004880943 560614694 /nfs/dbraw/zinc/61/46/94/560614694.db2.gz XRYCXWXNWCHUNP-UHFFFAOYSA-N 0 0 410.901 5.173 40 0 HKABRN CCCCN(C(=O)c1ccc(OC)cc1)c1nnc(-c2ccc(Cl)cc2)s1 ZINC000004880970 560614682 /nfs/dbraw/zinc/61/46/82/560614682.db2.gz NQLYSNWTOGFTTI-UHFFFAOYSA-N 0 0 401.919 5.314 40 0 HKABRN COc1ccccc1C(=O)N(CC(C)C)c1nnc(-c2ccc(Cl)cc2)s1 ZINC000004880991 560614691 /nfs/dbraw/zinc/61/46/91/560614691.db2.gz YOZZMTFQQQVRRX-UHFFFAOYSA-N 0 0 401.919 5.170 40 0 HKABRN CCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(-c2ccc(OC)cc2)s1 ZINC000004881090 560614684 /nfs/dbraw/zinc/61/46/84/560614684.db2.gz MBWCFPVRCRAZOG-UHFFFAOYSA-N 0 0 409.555 5.568 40 0 HKABRN CCCCN(C(=O)/C=C/c1ccccc1)c1nnc(-c2ccc(OC)c(OC)c2)s1 ZINC000004881159 560614696 /nfs/dbraw/zinc/61/46/96/560614696.db2.gz KDTKILCRBVJSAV-SDNWHVSQSA-N 0 0 423.538 5.069 40 0 HKABRN Cc1ccc(C(=O)CSc2ncnc3c(-c4ccc(Cl)cc4)nsc32)cc1 ZINC000004886024 560614830 /nfs/dbraw/zinc/61/48/30/560614830.db2.gz ZXUOYAHQYHUFCD-UHFFFAOYSA-N 0 0 411.939 5.690 40 0 HKABRN CCCC/C=C/[C@H]1C=C[C@@H](CCCCCCCC(=O)OCC)[C@@H](C(=O)OCC)C1 ZINC000004886816 557610101 /nfs/dbraw/zinc/61/01/01/557610101.db2.gz MGASPNORXQCYDN-FYTMTCGPSA-N 0 0 406.607 6.398 40 0 HKABRN CCCC/C=C/[C@@H]1C=C[C@@H](CCCCCCCC(=O)OCC)[C@@H](C(=O)OCC)C1 ZINC000004886817 557610149 /nfs/dbraw/zinc/61/01/49/557610149.db2.gz MGASPNORXQCYDN-LNUBUTILSA-N 0 0 406.607 6.398 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004887387 557610145 /nfs/dbraw/zinc/61/01/45/557610145.db2.gz UKRMXWMCDFUMQY-KOVCEZANSA-N 0 0 412.702 8.233 40 0 HKABRN CC(C)(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)N(c1ccccc1)c1ccccc1 ZINC000004888284 557610156 /nfs/dbraw/zinc/61/01/56/557610156.db2.gz FDAGOPCFVOZGMV-VKGMXUHCSA-N 0 0 419.569 5.493 40 0 HKABRN Cc1ccc(C(=O)NC2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000004888522 560614877 /nfs/dbraw/zinc/61/48/77/560614877.db2.gz JCQXXKYEUCARLI-UHFFFAOYSA-N 0 0 413.521 5.148 40 0 HKABRN Cc1ccccc1C(=O)NC1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000004888525 560614899 /nfs/dbraw/zinc/61/48/99/560614899.db2.gz JGXZOXWPSDFNLC-UHFFFAOYSA-N 0 0 413.521 5.148 40 0 HKABRN CCc1c(C)sc2nc(C(C)C)nc(SCC(=O)N3CCc4ccccc43)c12 ZINC000004888830 560615022 /nfs/dbraw/zinc/61/50/22/560615022.db2.gz HLEBLFCMTCNNEN-UHFFFAOYSA-N 0 0 411.596 5.367 40 0 HKABRN CCc1c(C)sc2nc(C(C)C)nc(SCC(=O)Nc3ccccc3F)c21 ZINC000004888834 560615045 /nfs/dbraw/zinc/61/50/45/560615045.db2.gz UPEPCHYDTLQBSZ-UHFFFAOYSA-N 0 0 403.548 5.555 40 0 HKABRN CCc1c(C)sc2nc(C(C)C)nc(SCC(=O)Nc3nc(C)cs3)c12 ZINC000004888835 560614996 /nfs/dbraw/zinc/61/49/96/560614996.db2.gz XOIGJCAMQAIKFH-UHFFFAOYSA-N 0 0 406.602 5.181 40 0 HKABRN CCc1c(C)sc2nc(C(C)C)nc(SCC(=O)Nc3ccccc3OC)c12 ZINC000004888837 560615020 /nfs/dbraw/zinc/61/50/20/560615020.db2.gz RPVZQPLUHNLDKJ-UHFFFAOYSA-N 0 0 415.584 5.425 40 0 HKABRN CCc1c(C)sc2nc(C(C)C)nc(SCC(=O)NCc3cccs3)c12 ZINC000004888839 560615029 /nfs/dbraw/zinc/61/50/29/560615029.db2.gz LYVVEMCYPAVEHX-UHFFFAOYSA-N 0 0 405.614 5.156 40 0 HKABRN COc1ccc([C@H]2CC(c3ccccc3)=C[C@](O)(C(C)(C)C)[C@H]2C(=O)C(C)(C)C)cc1 ZINC000004889318 557610396 /nfs/dbraw/zinc/61/03/96/557610396.db2.gz BLCORHYSCGUWJY-PRVBGKCFSA-N 0 0 420.593 6.275 40 0 HKABRN CN(CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)C1CCCCC1 ZINC000004889632 560615012 /nfs/dbraw/zinc/61/50/12/560615012.db2.gz MRIAMYXPXGQRNE-UHFFFAOYSA-N 0 0 410.583 5.061 40 0 HKABRN CN(CC(=O)Nc1sc2c(c1C(=O)c1cccs1)CCCC2)C1CCCCC1 ZINC000004889914 560615086 /nfs/dbraw/zinc/61/50/86/560615086.db2.gz JWXQHPZDUMWFAT-UHFFFAOYSA-N 0 0 416.612 5.122 40 0 HKABRN Cc1ccccc1C(=O)c1c(NC(=O)CN(C)C2CCCCC2)sc2c1CCCC2 ZINC000004889916 560615064 /nfs/dbraw/zinc/61/50/64/560615064.db2.gz PXBJITKWXLGZPW-UHFFFAOYSA-N 0 0 424.610 5.369 40 0 HKABRN CC(C)c1ccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)n2)cc1 ZINC000004890036 560615215 /nfs/dbraw/zinc/61/52/15/560615215.db2.gz ZRZPGCGODCWELL-GOSISDBHSA-N 0 0 408.477 5.411 40 0 HKABRN CC(C)c1ccc(-c2noc([C@H]3CCCN(C(=O)Nc4ccccc4F)C3)n2)cc1 ZINC000004890038 560615234 /nfs/dbraw/zinc/61/52/34/560615234.db2.gz ZRZPGCGODCWELL-SFHVURJKSA-N 0 0 408.477 5.411 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)cc1C ZINC000004892129 560615377 /nfs/dbraw/zinc/61/53/77/560615377.db2.gz FNSQGFSXQNQHRT-UHFFFAOYSA-N 0 0 411.288 6.671 40 0 HKABRN COc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1 ZINC000004893279 560615429 /nfs/dbraw/zinc/61/54/29/560615429.db2.gz LNRVQCVFATWQTG-UHFFFAOYSA-N 0 0 403.301 5.142 40 0 HKABRN CC(=O)N1N=C(c2ccccc2Cl)O[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000004893591 560615494 /nfs/dbraw/zinc/61/54/94/560615494.db2.gz FWWPOYVPSVEXFQ-QHCPKHFHSA-N 0 0 406.869 5.158 40 0 HKABRN CC(=O)N1N=C(c2ccccc2Cl)O[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000004893592 560615534 /nfs/dbraw/zinc/61/55/34/560615534.db2.gz FWWPOYVPSVEXFQ-HSZRJFAPSA-N 0 0 406.869 5.158 40 0 HKABRN O=C(C[C@H](c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000004893660 560615485 /nfs/dbraw/zinc/61/54/85/560615485.db2.gz LGMKWCSIDYDXHH-RUZDIDTESA-N 0 0 400.499 5.628 40 0 HKABRN O=C(C[C@@H](c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000004893661 560615536 /nfs/dbraw/zinc/61/55/36/560615536.db2.gz LGMKWCSIDYDXHH-VWLOTQADSA-N 0 0 400.499 5.628 40 0 HKABRN O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCCC2)cs1)c1ccco1 ZINC000004893703 560615478 /nfs/dbraw/zinc/61/54/78/560615478.db2.gz UKLCPBGGTODAPV-UHFFFAOYSA-N 0 0 421.522 5.125 40 0 HKABRN COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1 ZINC000004893834 557610590 /nfs/dbraw/zinc/61/05/90/557610590.db2.gz CFNSRXUQSCKDQG-UHFFFAOYSA-N 0 0 408.841 5.418 40 0 HKABRN COc1cc(OC)cc(C(=O)Nc2ccc(O)c(-c3nc4cc(C)c(C)cc4o3)c2)c1 ZINC000004893837 560615479 /nfs/dbraw/zinc/61/54/79/560615479.db2.gz LZBCIZNALPWRBX-UHFFFAOYSA-N 0 0 418.449 5.087 40 0 HKABRN CCc1cccc2c(SCC(=O)NCCC(C)C)nc(-c3ccc(F)cc3)nc12 ZINC000004894925 560615502 /nfs/dbraw/zinc/61/55/02/560615502.db2.gz JQQYHRLVCPKEMI-UHFFFAOYSA-N 0 0 411.546 5.253 40 0 HKABRN CCCCNC(=O)CSc1nc(-c2ccccc2)nc2c1cccc2C(F)(F)F ZINC000004894969 560615506 /nfs/dbraw/zinc/61/55/06/560615506.db2.gz XFBVFYRQYDNMLE-UHFFFAOYSA-N 0 0 419.472 5.324 40 0 HKABRN Cc1cccc2c(SCC(=O)NC3CCCCCC3)nc(-c3ccc(F)cc3)nc12 ZINC000004894984 560615626 /nfs/dbraw/zinc/61/56/26/560615626.db2.gz FNFNFGLVHXHKPI-UHFFFAOYSA-N 0 0 423.557 5.675 40 0 HKABRN Clc1ccc(-c2nsc3c2ncnc3N2CCC(Cc3ccccc3)CC2)cc1 ZINC000004895010 560615621 /nfs/dbraw/zinc/61/56/21/560615621.db2.gz PFQYJEVHYDOSEZ-UHFFFAOYSA-N 0 0 420.969 5.866 40 0 HKABRN Cc1ccc(-c2nc3ccccc3c(SCC(=O)NC3CCCCCC3)n2)cc1 ZINC000004895086 560615644 /nfs/dbraw/zinc/61/56/44/560615644.db2.gz PSCQRDLNBRXSHQ-UHFFFAOYSA-N 0 0 405.567 5.536 40 0 HKABRN Cc1ccc(CNC(=O)CSc2nc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000004895109 560610987 /nfs/dbraw/zinc/61/09/87/560610987.db2.gz CGLLOVDVIADIGD-UHFFFAOYSA-N 0 0 413.546 5.322 40 0 HKABRN Cc1ccc2c(c1)nc(-c1ccc(F)cc1)nc2SCC(=O)NC1CCCCCC1 ZINC000004895165 560611083 /nfs/dbraw/zinc/61/10/83/560611083.db2.gz PUWDZCMFFHEZTE-UHFFFAOYSA-N 0 0 423.557 5.675 40 0 HKABRN Cc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NC3CCCCCC3)c2c1 ZINC000004895192 560611087 /nfs/dbraw/zinc/61/10/87/560611087.db2.gz VOTZKAFUKKMEHU-UHFFFAOYSA-N 0 0 423.557 5.675 40 0 HKABRN Cc1ccc2c(c1)nc(-c1ccc(F)cc1)nc2SCC(=O)NCC1CCCCC1 ZINC000004895291 560611092 /nfs/dbraw/zinc/61/10/92/560611092.db2.gz YTQHQUIZFRGRCB-UHFFFAOYSA-N 0 0 423.557 5.533 40 0 HKABRN CCc1ccc2nc(-c3ccccc3)nc(SCC(=O)NC3CCCCCC3)c2c1 ZINC000004895505 560611085 /nfs/dbraw/zinc/61/10/85/560611085.db2.gz CBCKOPRJBZWOAC-UHFFFAOYSA-N 0 0 419.594 5.790 40 0 HKABRN CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NCCC(C)C)c2c1 ZINC000004895544 560611093 /nfs/dbraw/zinc/61/10/93/560611093.db2.gz RATFUNTXAGGYSO-UHFFFAOYSA-N 0 0 411.546 5.253 40 0 HKABRN Cc1c2ccccc2[nH]c1C(c1[nH]c2ccccc2c1C)c1[nH]c2ccccc2c1C ZINC000004896033 557610836 /nfs/dbraw/zinc/61/08/36/557610836.db2.gz QBMNQDIFIOJXED-UHFFFAOYSA-N 0 0 403.529 7.236 40 0 HKABRN O=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1ccccc1N1CCCCC1 ZINC000004896489 560611189 /nfs/dbraw/zinc/61/11/89/560611189.db2.gz JUZWVPNGLGJJST-UHFFFAOYSA-N 0 0 413.565 5.318 40 0 HKABRN CC(=O)OCC(=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000004897064 557611029 /nfs/dbraw/zinc/61/10/29/557611029.db2.gz LVFYHUIQUAZOKG-PGCYJSDXSA-N 0 0 414.586 5.437 40 0 HKABRN Cn1nc([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1C(F)(F)F ZINC000004897128 557611045 /nfs/dbraw/zinc/61/10/45/557611045.db2.gz OFZZRUVLPSTSGV-FJHVXNPXSA-N 0 0 422.535 5.846 40 0 HKABRN CCCCCC[C@H](C)OC(=O)CCSCCC(=O)O[C@@H](C)CCCCCC ZINC000004897230 557611048 /nfs/dbraw/zinc/61/10/48/557611048.db2.gz CNJFANVNNVEFCV-PMACEKPBSA-N 0 0 402.641 6.304 40 0 HKABRN CCCCCC[C@@H](C)OC(=O)CCSCCC(=O)O[C@H](C)CCCCCC ZINC000004897231 557610982 /nfs/dbraw/zinc/61/09/82/557610982.db2.gz CNJFANVNNVEFCV-WOJBJXKFSA-N 0 0 402.641 6.304 40 0 HKABRN Cc1ccc2nc(-c3ccccc3)nc(S[C@@H](C)C(=O)NC3CCCCC3)c2c1 ZINC000004897865 560611288 /nfs/dbraw/zinc/61/12/88/560611288.db2.gz DFZGLKMLTQEOPN-KRWDZBQOSA-N 0 0 405.567 5.535 40 0 HKABRN Cc1ccc2nc(-c3ccccc3)nc(S[C@H](C)C(=O)NC3CCCCC3)c2c1 ZINC000004897866 560611283 /nfs/dbraw/zinc/61/12/83/560611283.db2.gz DFZGLKMLTQEOPN-QGZVFWFLSA-N 0 0 405.567 5.535 40 0 HKABRN Clc1ccc(CSc2nnc3c4ccccc4nc(C4CCCCC4)n23)cc1 ZINC000004898255 560611341 /nfs/dbraw/zinc/61/13/41/560611341.db2.gz AGRIOYFGOUNAPN-UHFFFAOYSA-N 0 0 408.958 6.271 40 0 HKABRN Cc1ccc(C(=O)CSc2nnc3c4ccccc4nc(C4CCCCC4)n23)cc1 ZINC000004898259 560611378 /nfs/dbraw/zinc/61/13/78/560611378.db2.gz DFDDTMMZVDPBFU-UHFFFAOYSA-N 0 0 416.550 5.609 40 0 HKABRN Clc1ccc(CSc2nnc3c4ccccc4nc(Cc4ccccc4)n23)cc1 ZINC000004898263 560611358 /nfs/dbraw/zinc/61/13/58/560611358.db2.gz RTCJFNJTVHFPLX-UHFFFAOYSA-N 0 0 416.937 5.814 40 0 HKABRN CCCCc1nc2c(nnn2Cc2ccccc2)c(Nc2cc(Cl)ccc2C)n1 ZINC000004898929 560611447 /nfs/dbraw/zinc/61/14/47/560611447.db2.gz SDEJUYWDMVBBSW-UHFFFAOYSA-N 0 0 406.921 5.318 40 0 HKABRN OC1(c2ccccc2)c2ccc(Br)cc2-c2cc(Br)ccc21 ZINC000004900476 557611400 /nfs/dbraw/zinc/61/14/00/557611400.db2.gz NBMMKLJYXTVZGZ-UHFFFAOYSA-N 0 0 416.112 5.476 40 0 HKABRN CC1=C(CC[C@@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000004901236 557611492 /nfs/dbraw/zinc/61/14/92/557611492.db2.gz IQDKIMJGXXRZGR-HUEIYZRMSA-N 0 0 416.646 5.698 40 0 in-vitro HKABRN Cc1cccc(C)c1NC(=O)N(c1nc2ccccc2s1)c1c(C)cccc1C ZINC000004902395 560617440 /nfs/dbraw/zinc/61/74/40/560617440.db2.gz IZWHACZTLSPLNN-UHFFFAOYSA-N 0 0 401.535 6.900 40 0 HKABRN Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000004902439 560617437 /nfs/dbraw/zinc/61/74/37/560617437.db2.gz PPPFWSJJRMTZTM-UHFFFAOYSA-N 0 0 407.300 6.769 40 0 HKABRN CCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000004902452 569071627 /nfs/dbraw/zinc/07/16/27/569071627.db2.gz VSTIGLKSOVVUOA-UHFFFAOYSA-N 0 0 402.881 6.206 40 0 HKABRN O=C(Nc1cccc2ccccc21)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000004902464 557611578 /nfs/dbraw/zinc/61/15/78/557611578.db2.gz DJNLYMIZTLXQQX-UHFFFAOYSA-N 0 0 408.888 6.961 40 0 HKABRN Cc1cccc(-c2cc3nc(-c4ccccc4)cc(NCCCn4ccnc4)n3n2)c1 ZINC000004902554 560617410 /nfs/dbraw/zinc/61/74/10/560617410.db2.gz DXGPUBNYRJNCBE-UHFFFAOYSA-N 0 0 408.509 5.070 40 0 HKABRN Cc1cccc(-c2nc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)n[nH]2)c1 ZINC000004902559 569071593 /nfs/dbraw/zinc/07/15/93/569071593.db2.gz FKKHEAVLIVRBOM-UHFFFAOYSA-N 0 0 416.506 5.303 40 0 HKABRN O=C(Nc1ccccc1F)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000004903539 560617488 /nfs/dbraw/zinc/61/74/88/560617488.db2.gz YXYCQUKMXMSARW-UHFFFAOYSA-N 0 0 411.263 6.600 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000004903541 560617527 /nfs/dbraw/zinc/61/75/27/560617527.db2.gz OJSKFNDYVRGAOT-UHFFFAOYSA-N 0 0 411.263 6.600 40 0 HKABRN Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2c1 ZINC000004906069 560617670 /nfs/dbraw/zinc/61/76/70/560617670.db2.gz PNIFLPLITXQTPV-UHFFFAOYSA-N 0 0 407.300 6.769 40 0 HKABRN Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000004906074 560617647 /nfs/dbraw/zinc/61/76/47/560617647.db2.gz XXYUAXPTAPCFQY-UHFFFAOYSA-N 0 0 407.300 6.769 40 0 HKABRN Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1 ZINC000004906077 560617665 /nfs/dbraw/zinc/61/76/65/560617665.db2.gz GPOPUHIIWPCBLN-UHFFFAOYSA-N 0 0 407.300 6.769 40 0 HKABRN Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cccc(Cl)c3Cl)c2c1 ZINC000004906095 569071606 /nfs/dbraw/zinc/07/16/06/569071606.db2.gz LWNFUKOBEDWVLL-UHFFFAOYSA-N 0 0 407.300 6.769 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000004906644 569071634 /nfs/dbraw/zinc/07/16/34/569071634.db2.gz RNQXCRZOUGRJCN-UHFFFAOYSA-N 0 0 411.263 6.600 40 0 HKABRN Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(OCC(C)C)cc4)c3)oc2c1 ZINC000004906734 560617764 /nfs/dbraw/zinc/61/77/64/560617764.db2.gz BFYMGBAXSZUKOA-UHFFFAOYSA-N 0 0 400.478 6.090 40 0 HKABRN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(OCC(C)C)cc4)c3)oc2c(C)c1 ZINC000004906736 560617770 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C[C@@H]1CCCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(Cl)cc4)nn32)C1 ZINC000004980494 560622912 /nfs/dbraw/zinc/62/29/12/560622912.db2.gz AZMJJCGSHMPPEW-QGZVFWFLSA-N 0 0 402.929 5.953 40 0 HKABRN C[C@H]1CCCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(Cl)cc4)nn32)C1 ZINC000004980497 560622923 /nfs/dbraw/zinc/62/29/23/560622923.db2.gz AZMJJCGSHMPPEW-KRWDZBQOSA-N 0 0 402.929 5.953 40 0 HKABRN C[C@H]1C[C@H](C)CN(c2cc(-c3ccccc3)nc3cc(-c4ccc(Cl)cc4)nn32)C1 ZINC000004980504 560622929 /nfs/dbraw/zinc/62/29/29/560622929.db2.gz YQJQWKJRHYIYIP-ROUUACIJSA-N 0 0 416.956 6.199 40 0 HKABRN C[C@@H]1C[C@@H](C)CN(c2cc(-c3ccccc3)nc3cc(-c4ccc(Cl)cc4)nn32)C1 ZINC000004980506 560622905 /nfs/dbraw/zinc/62/29/05/560622905.db2.gz YQJQWKJRHYIYIP-QZTJIDSGSA-N 0 0 416.956 6.199 40 0 HKABRN COc1ccccc1CNc1cc(-c2ccccc2)nc2cc(-c3cccc(C)c3)nn21 ZINC000004980527 560622931 /nfs/dbraw/zinc/62/29/31/560622931.db2.gz FYOTVOJSWNXCDH-UHFFFAOYSA-N 0 0 420.516 5.992 40 0 HKABRN C[C@H]1C[C@H](C)CN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn32)C1 ZINC000004980557 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5.521 40 0 HKABRN Cc1ccc(COc2ccc(/C=C3\SC(=O)N(c4cccc(O)c4)C3=O)cc2)cc1 ZINC000005376173 557649255 /nfs/dbraw/zinc/64/92/55/557649255.db2.gz KLCYVHOBVWRVSM-XKZIYDEJSA-N 0 0 417.486 5.521 40 0 HKABRN CC(C)(C)OC(=O)[C@@H](c1ccccc1)[C@H](Nc1ccccc1Cl)c1ccccc1 ZINC000005379722 557649657 /nfs/dbraw/zinc/64/96/57/557649657.db2.gz AHOMQLGDWNVYHX-XZOQPEGZSA-N 0 0 407.941 6.619 40 0 HKABRN CC(C)(C)OC(=O)[C@@H](c1ccccc1)[C@@H](Nc1ccccc1Cl)c1ccccc1 ZINC000005379725 557649662 /nfs/dbraw/zinc/64/96/62/557649662.db2.gz AHOMQLGDWNVYHX-GOTSBHOMSA-N 0 0 407.941 6.619 40 0 HKABRN CC(C)(C)OC(=O)[C@H](c1ccccc1)[C@H](Nc1ccccc1Cl)c1ccccc1 ZINC000005379727 557649650 /nfs/dbraw/zinc/64/96/50/557649650.db2.gz AHOMQLGDWNVYHX-DHIUTWEWSA-N 0 0 407.941 6.619 40 0 HKABRN CC(C)(C)OC(=O)[C@H](c1ccccc1)[C@@H](Nc1ccccc1Cl)c1ccccc1 ZINC000005379731 557649669 /nfs/dbraw/zinc/64/96/69/557649669.db2.gz AHOMQLGDWNVYHX-PKTZIBPZSA-N 0 0 407.941 6.619 40 0 HKABRN CC(C)(C)c1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(C(C)(C)C)c1O ZINC000005379852 557649666 /nfs/dbraw/zinc/64/96/66/557649666.db2.gz KNYNSMHTBGSDIE-UHFFFAOYSA-N 0 0 424.588 7.711 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cc3ccc(Cl)cc3)cc2)cc1 ZINC000005379986 557649654 /nfs/dbraw/zinc/64/96/54/557649654.db2.gz VCAMLWFNZWCZNG-UHFFFAOYSA-N 0 0 407.941 6.246 40 0 HKABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc4ccccc43)c2C(N)=O)C1 ZINC000005383724 560737489 /nfs/dbraw/zinc/73/74/89/560737489.db2.gz IHLOMSBSGPSLLC-OAHLLOKOSA-N 0 0 406.551 5.404 40 0 HKABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc4ccccc43)c2C(N)=O)C1 ZINC000005383768 560737484 /nfs/dbraw/zinc/73/74/84/560737484.db2.gz IHLOMSBSGPSLLC-HNNXBMFYSA-N 0 0 406.551 5.404 40 0 HKABRN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(I)cc2)cc1 ZINC000005383820 560737488 /nfs/dbraw/zinc/73/74/88/560737488.db2.gz VJSZILUCOVKUHW-AWNIVKPZSA-N 0 0 405.279 5.241 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cc1 ZINC000005383867 560737499 /nfs/dbraw/zinc/73/74/99/560737499.db2.gz VGJUZCFGNYHXNI-UHFFFAOYSA-N 0 0 412.489 6.235 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000005384663 560737469 /nfs/dbraw/zinc/73/74/69/560737469.db2.gz FBARRTMJWTXUEY-INMULRNOSA-N 0 0 424.610 5.773 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 ZINC000005384664 560737479 /nfs/dbraw/zinc/73/74/79/560737479.db2.gz FBARRTMJWTXUEY-RORWEDLISA-N 0 0 424.610 5.773 40 0 HKABRN [NH3+][C@H](Cc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C(=O)[O-] ZINC000005385427 557650157 /nfs/dbraw/zinc/65/01/57/557650157.db2.gz NPNJNUNUMMLETK-AREMUKBSSA-N 0 0 423.512 5.012 40 0 HKABRN Clc1ccc([C@H](CCc2ccc(Br)cc2)Cn2ccnc2)c(Cl)c1 ZINC000005386097 557650163 /nfs/dbraw/zinc/65/01/63/557650163.db2.gz GLPUKJFKRFMDSY-OAHLLOKOSA-N 0 0 424.169 6.369 40 0 HKABRN Nc1ccc(SCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000005390339 557650408 /nfs/dbraw/zinc/65/04/08/557650408.db2.gz HZCGIUIRBRUURJ-UHFFFAOYSA-N 0 0 411.570 6.370 40 0 HKABRN CC[C@@](C)(CC(=O)NCC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000005390567 560625419 /nfs/dbraw/zinc/62/54/19/560625419.db2.gz HFPBLUHWOVFWSL-CRRLPVGBSA-N 0 0 421.625 6.240 40 0 HKABRN CC[C@@](C)(CC(=O)NCC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000005390569 560625444 /nfs/dbraw/zinc/62/54/44/560625444.db2.gz HFPBLUHWOVFWSL-LOLUNWTRSA-N 0 0 421.625 6.240 40 0 HKABRN Brc1cnc2nc(NC3CCCCC3)c(NC3CCCCC3)nc2c1 ZINC000005390750 568935684 /nfs/dbraw/zinc/93/56/84/568935684.db2.gz VTSZNKHSZVZNIC-UHFFFAOYSA-N 0 0 404.356 5.277 40 0 HKABRN CC1=C(c2ccccc2)OC(=O)C(Cl)(Cl)[C@@H]1N(c1ccccc1)c1ccccc1 ZINC000005393004 557650503 /nfs/dbraw/zinc/65/05/03/557650503.db2.gz XUGWTOHBVYVQNO-JOCHJYFZSA-N 0 0 424.327 6.355 40 0 HKABRN Cc1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)c1 ZINC000005394557 560737461 /nfs/dbraw/zinc/73/74/61/560737461.db2.gz BFOLGOCFCHAPPJ-UHFFFAOYSA-N 0 0 414.534 5.282 40 0 HKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2-c2ccccc2)c1 ZINC000005394558 560737496 /nfs/dbraw/zinc/73/74/96/560737496.db2.gz FGIXPBLDQHZMKM-UHFFFAOYSA-N 0 0 418.497 5.113 40 0 HKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C)n2-c2ccccc2)c1 ZINC000005394559 560737501 /nfs/dbraw/zinc/73/75/01/560737501.db2.gz SEQPXAHSDOHJEK-UHFFFAOYSA-N 0 0 414.534 5.282 40 0 HKABRN Clc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2c2cccs2)cc1 ZINC000005395050 557650812 /nfs/dbraw/zinc/65/08/12/557650812.db2.gz PZQWCDYHFMJNEY-XMMPIXPASA-N 0 0 415.949 6.789 40 0 HKABRN Clc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@H]2c2cccs2)cc1 ZINC000005395051 557650769 /nfs/dbraw/zinc/65/07/69/557650769.db2.gz PZQWCDYHFMJNEY-DEOSSOPVSA-N 0 0 415.949 6.789 40 0 HKABRN COc1ccc([C@@H]2CC(=O)[C@H](C(=O)OC3CCCCC3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000005411722 557652084 /nfs/dbraw/zinc/65/20/84/557652084.db2.gz YHURCXIZSWWLLE-CAOCKLPOSA-N 0 0 422.521 5.036 40 0 HKABRN COc1ccc([C@@H]2CC(=O)[C@@H](C(=O)OC3CCCCC3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000005411723 557652205 /nfs/dbraw/zinc/65/22/05/557652205.db2.gz YHURCXIZSWWLLE-ICDZXHCJSA-N 0 0 422.521 5.036 40 0 HKABRN COc1ccc([C@@H]2[C@@H](c3ccc(OC)cc3)CC(=O)[C@H]2C(=O)OC2CCCCC2)cc1 ZINC000005411726 557652129 /nfs/dbraw/zinc/65/21/29/557652129.db2.gz YHURCXIZSWWLLE-QLBJFCOMSA-N 0 0 422.521 5.036 40 0 HKABRN c1ccc(C2=NC[C@@](c3ccccc3)(C3(c4ccccc4)SCCCS3)O2)cc1 ZINC000005412069 557652174 /nfs/dbraw/zinc/65/21/74/557652174.db2.gz YPDXNKWXEPBALI-XMMPIXPASA-N 0 0 417.599 6.082 40 0 HKABRN Clc1ccc(-c2csc3ncnc(SCc4cccc(Cl)c4)c23)cc1 ZINC000005414232 557652133 /nfs/dbraw/zinc/65/21/33/557652133.db2.gz HRCGBVOECNBIBT-UHFFFAOYSA-N 0 0 403.359 6.957 40 0 HKABRN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Sc1nc(-c3ccccc3)c(-c3ccccc3)o1)C2=O ZINC000005415666 557652437 /nfs/dbraw/zinc/65/24/37/557652437.db2.gz UTQZKCXZZKAKBJ-KPCPBYSCSA-N 0 0 403.547 6.495 40 0 HKABRN CC1(C)[C@H]2CC[C@]1(C)[C@H](Sc1nc(-c3ccccc3)c(-c3ccccc3)o1)C2=O ZINC000005415872 557652447 /nfs/dbraw/zinc/65/24/47/557652447.db2.gz UTQZKCXZZKAKBJ-QRJOEMBSSA-N 0 0 403.547 6.495 40 0 HKABRN CCOc1cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)ccc1OC(=O)CC ZINC000005417081 557652430 /nfs/dbraw/zinc/65/24/30/557652430.db2.gz MZSVNPISHQREQU-RGEXLXHISA-N 0 0 421.493 5.043 40 0 HKABRN Cc1ccc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000005417268 568443396 /nfs/dbraw/zinc/44/33/96/568443396.db2.gz DKQSKBNFXHIDDH-QHCPKHFHSA-N 0 0 413.323 7.105 40 0 HKABRN Cc1ccc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000005417271 568443422 /nfs/dbraw/zinc/44/34/22/568443422.db2.gz DKQSKBNFXHIDDH-HSZRJFAPSA-N 0 0 413.323 7.105 40 0 HKABRN CCCC(=O)N[C@H](Nc1cc(Cl)ccc1C(F)(F)F)C(Cl)(Cl)Cl ZINC000005417389 557652558 /nfs/dbraw/zinc/65/25/58/557652558.db2.gz AXQQDTBGQDRCLL-NSHDSACASA-N 0 0 412.066 5.383 40 0 HKABRN CCCC(=O)N[C@@H](Nc1cc(Cl)ccc1C(F)(F)F)C(Cl)(Cl)Cl ZINC000005417392 557652587 /nfs/dbraw/zinc/65/25/87/557652587.db2.gz AXQQDTBGQDRCLL-LLVKDONJSA-N 0 0 412.066 5.383 40 0 HKABRN CCCCC(=O)N(c1ccccc1)C1=C[C@H](C)N(C(=O)c2ccccc2)c2ccccc21 ZINC000005417613 132305608 /nfs/dbraw/zinc/30/56/08/132305608.db2.gz GIFLFZZQIVRRMB-NRFANRHFSA-N 0 0 424.544 6.300 40 0 HKABRN CCCCC(=O)N(c1ccccc1)C1=C[C@@H](C)N(C(=O)c2ccccc2)c2ccccc21 ZINC000005417616 132305604 /nfs/dbraw/zinc/30/56/04/132305604.db2.gz GIFLFZZQIVRRMB-OAQYLSRUSA-N 0 0 424.544 6.300 40 0 HKABRN CCCCCCSCCOCCOCCOC[C@H](O)CSCCCCCC ZINC000005418276 557652606 /nfs/dbraw/zinc/65/26/06/557652606.db2.gz MDXQPBYSBLVMOM-NRFANRHFSA-N 0 0 424.713 5.024 40 0 HKABRN CCCCCCSCCOCCOCCOC[C@@H](O)CSCCCCCC ZINC000005418277 557652644 /nfs/dbraw/zinc/65/26/44/557652644.db2.gz MDXQPBYSBLVMOM-OAQYLSRUSA-N 0 0 424.713 5.024 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000005420045 557652882 /nfs/dbraw/zinc/65/28/82/557652882.db2.gz SABWOFQPHXVPFM-UHFFFAOYSA-N 0 0 401.506 5.681 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000005420612 569328507 /nfs/dbraw/zinc/32/85/07/569328507.db2.gz ALRFMDMFYIZOOW-UHFFFAOYSA-N 0 0 422.912 6.024 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1 ZINC000005420625 557652893 /nfs/dbraw/zinc/65/28/93/557652893.db2.gz FVCKXZKKOOUILU-UHFFFAOYSA-N 0 0 420.896 6.579 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c1 ZINC000005420730 568443518 /nfs/dbraw/zinc/44/35/18/568443518.db2.gz SHLKBFQBRUOYRF-UHFFFAOYSA-N 0 0 404.441 6.065 40 0 HKABRN CCC(=O)COc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(C)=O ZINC000005427842 557653206 /nfs/dbraw/zinc/65/32/06/557653206.db2.gz SLWBYZLLBHQFBI-UHFFFAOYSA-N 0 0 412.283 5.225 40 0 HKABRN CCCO[P@@](=O)(OC=C(Cl)Cl)O[C@@](C)(CC)C(Cl)(Cl)Cl ZINC000005431482 557653394 /nfs/dbraw/zinc/65/33/94/557653394.db2.gz FQKMTSBABMRBHT-LXGOIASLSA-N 0 0 408.473 6.370 40 0 HKABRN CCCO[P@@](=O)(OC=C(Cl)Cl)O[C@](C)(CC)C(Cl)(Cl)Cl ZINC000005431486 557653365 /nfs/dbraw/zinc/65/33/65/557653365.db2.gz FQKMTSBABMRBHT-YBYGRFCBSA-N 0 0 408.473 6.370 40 0 HKABRN CCCO[P@](=O)(OC=C(Cl)Cl)O[C@@](C)(CC)C(Cl)(Cl)Cl ZINC000005431506 557653352 /nfs/dbraw/zinc/65/33/52/557653352.db2.gz FQKMTSBABMRBHT-GWNMQOMSSA-N 0 0 408.473 6.370 40 0 HKABRN CCCO[P@](=O)(OC=C(Cl)Cl)O[C@](C)(CC)C(Cl)(Cl)Cl ZINC000005431513 557653324 /nfs/dbraw/zinc/65/33/24/557653324.db2.gz FQKMTSBABMRBHT-GSDQLPOLSA-N 0 0 408.473 6.370 40 0 HKABRN Cc1cc2c3nnc(SCC(=O)Nc4cccc5ccccc54)nc3[nH]c2c(C)c1 ZINC000005442330 560626193 /nfs/dbraw/zinc/62/61/93/560626193.db2.gz NIGAHENZAMVYCU-UHFFFAOYSA-N 0 0 413.506 5.007 40 0 HKABRN CCOc1ccc2[nH]c3nc(SCc4c(Cl)cccc4Cl)nnc3c2c1 ZINC000005444682 560626331 /nfs/dbraw/zinc/62/63/31/560626331.db2.gz ZUXFXWOPLCFEKS-UHFFFAOYSA-N 0 0 405.310 5.504 40 0 HKABRN Cn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccccc1Cl ZINC000005448512 560737700 /nfs/dbraw/zinc/73/77/00/560737700.db2.gz ITGROUYWIXGSIS-UHFFFAOYSA-N 0 0 408.914 5.020 40 0 HKABRN CC(C)CC(O)(CC(C)C)[C@H](CCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000005452754 557654587 /nfs/dbraw/zinc/65/45/87/557654587.db2.gz CFAGIIUJUBRYDZ-HSZRJFAPSA-N 0 0 424.585 5.484 40 0 HKABRN CC(C)COP(=O)(OCC(C)C)[C@H](C)OP(=O)(OC(C)C)OC(C)C ZINC000005454120 557654774 /nfs/dbraw/zinc/65/47/74/557654774.db2.gz FJLFRRYIKUXXDS-MRXNPFEDSA-N 0 0 402.405 5.845 40 0 HKABRN CC(C)OP(=O)(OCC[C@@H](C)OP(=O)(OC(C)C)OC(C)C)OC(C)C ZINC000005456580 557654763 /nfs/dbraw/zinc/65/47/63/557654763.db2.gz BRVUDVQMGWHERY-MRXNPFEDSA-N 0 0 418.404 5.714 40 0 HKABRN CCOC(=O)C(C(=O)Nc1cccc2ccccc21)=C(C)Nc1ccc(Cl)cc1C ZINC000005456903 557654770 /nfs/dbraw/zinc/65/47/70/557654770.db2.gz XYEDGYANOVDISA-JWGURIENSA-N 0 0 422.912 5.689 40 0 HKABRN CCOC(=O)Cc1nc2sc3c(c2c(Nc2ccccc2Cl)n1)CCCC3 ZINC000005459020 557654830 /nfs/dbraw/zinc/65/48/30/557654830.db2.gz HMVAUOPTCWGKAC-UHFFFAOYSA-N 0 0 401.919 5.073 40 0 HKABRN CCOC(=O)c1c2c(sc1NC(=O)c1cc(Cl)nc3ccccc31)CCCC2 ZINC000005461276 557655133 /nfs/dbraw/zinc/65/51/33/557655133.db2.gz CJXPDNWGRZUANB-UHFFFAOYSA-N 0 0 414.914 5.258 40 0 HKABRN CCOC(=O)c1nc2sc3c(c2c(Nc2ccc(C)c(Cl)c2)n1)CCCC3 ZINC000005462340 557655097 /nfs/dbraw/zinc/65/50/97/557655097.db2.gz QSRJRXKUHFPJTA-UHFFFAOYSA-N 0 0 401.919 5.452 40 0 HKABRN CCOC(=O)c1nc2sc3c(c2c(Nc2ccc(F)c(Cl)c2)n1)CCCC3 ZINC000005462343 557655094 /nfs/dbraw/zinc/65/50/94/557655094.db2.gz QKEOWKODZYFHBH-UHFFFAOYSA-N 0 0 405.882 5.283 40 0 HKABRN CCOc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc(Cl)c1OCC ZINC000005463641 557655432 /nfs/dbraw/zinc/65/54/32/557655432.db2.gz YPBQNPTXYSIKAK-SXGWCWSVSA-N 0 0 406.265 5.135 40 0 HKABRN COc1ccc([C@@](C)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n2ccnc2)cc1 ZINC000005464142 557655396 /nfs/dbraw/zinc/65/53/96/557655396.db2.gz YNYWQUWRGILPNE-SANMLTNESA-N 0 0 406.570 6.004 40 0 HKABRN CCOc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)ccc1OCc1ccccc1 ZINC000005464431 557655419 /nfs/dbraw/zinc/65/54/19/557655419.db2.gz JTGJJKGVRKOTBE-STZFKDTASA-N 0 0 417.436 5.148 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000005465950 557655324 /nfs/dbraw/zinc/65/53/24/557655324.db2.gz REBWVVQCYLXGDZ-UHFFFAOYSA-N 0 0 401.506 5.804 40 0 HKABRN O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)Nc1ccccc1 ZINC000005467403 569328638 /nfs/dbraw/zinc/32/86/38/569328638.db2.gz SMDWTAXHDOHSFV-UHFFFAOYSA-N 0 0 416.864 5.351 40 0 HKABRN CCCCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000005468045 557655574 /nfs/dbraw/zinc/65/55/74/557655574.db2.gz GTZIXTILFSFHII-UHFFFAOYSA-N 0 0 414.936 7.150 40 0 HKABRN CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000005468405 560592298 /nfs/dbraw/zinc/59/22/98/560592298.db2.gz JZVFJDZBLUFKCA-IDFHWOFJSA-N 0 0 412.702 7.801 40 0 biogenic HKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000005471349 560737771 /nfs/dbraw/zinc/73/77/71/560737771.db2.gz OFAZDSUCURSCGK-IBGZPJMESA-N 0 0 403.522 5.969 40 0 HKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000005471352 560737789 /nfs/dbraw/zinc/73/77/89/560737789.db2.gz OFAZDSUCURSCGK-LJQANCHMSA-N 0 0 403.522 5.969 40 0 HKABRN O=C(OC(c1ccccc1)c1ccccc1)c1cccc(I)c1 ZINC000005473275 569328641 /nfs/dbraw/zinc/32/86/41/569328641.db2.gz NRRSJMVPBYRHFO-UHFFFAOYSA-N 0 0 414.242 5.238 40 0 HKABRN CCOC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000005474316 560737796 /nfs/dbraw/zinc/73/77/96/560737796.db2.gz YTUBZWJLQDYSPG-CQSZACIVSA-N 0 0 419.974 5.982 40 0 HKABRN CCOC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000005474318 560737811 /nfs/dbraw/zinc/73/78/11/560737811.db2.gz YTUBZWJLQDYSPG-AWEZNQCLSA-N 0 0 419.974 5.982 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OC)cc4)c3)nc2c1 ZINC000005476344 557655881 /nfs/dbraw/zinc/65/58/81/557655881.db2.gz LHFOUUKWWDXZEA-MRXNPFEDSA-N 0 0 400.478 6.269 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OC)cc4)c3)nc2c1 ZINC000005476800 557655939 /nfs/dbraw/zinc/65/59/39/557655939.db2.gz LHFOUUKWWDXZEA-INIZCTEOSA-N 0 0 400.478 6.269 40 0 HKABRN Clc1ccc(-c2cc(-c3cc(-c4ccc(Cl)cc4Cl)[nH]n3)n[nH]2)c(Cl)c1 ZINC000005479222 557656326 /nfs/dbraw/zinc/65/63/26/557656326.db2.gz FGKYLIQXCWQBTD-UHFFFAOYSA-N 0 0 424.118 6.747 40 0 HKABRN Clc1ccc(-c2cc(-c3cc(-c4ccc(Cl)c(Cl)c4)[nH]n3)n[nH]2)cc1Cl ZINC000005479247 557656355 /nfs/dbraw/zinc/65/63/55/557656355.db2.gz WUSJYQVNNXDNAB-UHFFFAOYSA-N 0 0 424.118 6.747 40 0 HKABRN C1CCCCCc2c([nH]nc2-c2n[nH]c3c2CCCCCCCCCC3)CCCC1 ZINC000005479269 557656335 /nfs/dbraw/zinc/65/63/35/557656335.db2.gz DCLYQVFUCVGPFK-UHFFFAOYSA-N 0 0 410.650 7.239 40 0 HKABRN CCN(CC)c1ccc(N[C@@H](C(=O)c2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000005479605 568443758 /nfs/dbraw/zinc/44/37/58/568443758.db2.gz UGBMNACLLOMDEK-XMMPIXPASA-N 0 0 402.494 5.298 40 0 HKABRN COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)cc1Cl ZINC000005481485 568443940 /nfs/dbraw/zinc/44/39/40/568443940.db2.gz JUTRSZWQEFVFCB-KPZWWZAWSA-N 0 0 404.963 5.415 40 0 HKABRN CC(C)C(=O)N[C@H](Nc1cc(Cl)ccc1C(F)(F)F)C(Cl)(Cl)Cl ZINC000005481671 557656604 /nfs/dbraw/zinc/65/66/04/557656604.db2.gz MCMPBLVFPXZEHR-NSHDSACASA-N 0 0 412.066 5.239 40 0 HKABRN CC(C)C(=O)N[C@@H](Nc1cc(Cl)ccc1C(F)(F)F)C(Cl)(Cl)Cl ZINC000005481672 557656576 /nfs/dbraw/zinc/65/65/76/557656576.db2.gz MCMPBLVFPXZEHR-LLVKDONJSA-N 0 0 412.066 5.239 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000005481721 557656549 /nfs/dbraw/zinc/65/65/49/557656549.db2.gz VUCDSTCRVYGRSG-JIXTWFISSA-N 0 0 400.647 6.568 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000005481722 557656553 /nfs/dbraw/zinc/65/65/53/557656553.db2.gz VUCDSTCRVYGRSG-XCIVKYIWSA-N 0 0 400.647 6.568 40 0 HKABRN COc1ccc(NC(=O)c2ccc(CSc3nc4cc(OC)ccc4[nH]3)cc2)cc1 ZINC000005489850 568443832 /nfs/dbraw/zinc/44/38/32/568443832.db2.gz QEAXAINJJQEKRX-UHFFFAOYSA-N 0 0 419.506 5.125 40 0 HKABRN Cc1ccc2[nH]c(SCc3ccc(C(=O)Nc4ccc(C)cc4C)cc3)nc2c1 ZINC000005490465 568443854 /nfs/dbraw/zinc/44/38/54/568443854.db2.gz ZAFMHWMNOYUISN-UHFFFAOYSA-N 0 0 401.535 6.033 40 0 HKABRN COc1ccc2[nH]c(SCc3ccc(C(=O)Nc4ccc(C)cc4C)cc3)nc2c1 ZINC000005490466 568443828 /nfs/dbraw/zinc/44/38/28/568443828.db2.gz BNETWLYBERUAJQ-UHFFFAOYSA-N 0 0 417.534 5.733 40 0 HKABRN Cc1ccc2[nH]c(SCc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)nc2c1 ZINC000005490815 568445465 /nfs/dbraw/zinc/44/54/65/568445465.db2.gz DTBZDRQEOITHQT-UHFFFAOYSA-N 0 0 407.926 6.069 40 0 HKABRN COc1ccc(NC(=O)c2ccc(CSc3nc4cc(C)ccc4[nH]3)cc2)cc1 ZINC000005490818 568445456 /nfs/dbraw/zinc/44/54/56/568445456.db2.gz LCRMBVRHCORKFL-UHFFFAOYSA-N 0 0 403.507 5.425 40 0 HKABRN C1CCSCCCCCSCCCCCSCCCCCSCC1 ZINC000005493439 557657494 /nfs/dbraw/zinc/65/74/94/557657494.db2.gz YAOIKMIQFGPNJC-UHFFFAOYSA-N 0 0 408.808 7.614 40 0 HKABRN COc1ccc(CNS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1 ZINC000005498472 557657968 /nfs/dbraw/zinc/65/79/68/557657968.db2.gz SPHWOMRDICMVMO-UHFFFAOYSA-N 0 0 403.588 5.544 40 0 HKABRN COc1ccccc1CNS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000005498474 557657921 /nfs/dbraw/zinc/65/79/21/557657921.db2.gz FETHXGPMCQYJFS-UHFFFAOYSA-N 0 0 403.588 5.544 40 0 HKABRN CCCC[C@@H](c1nc2c(c3c1CCCC3)CCCC2)C(O)(C(F)(F)F)C(F)(F)F ZINC000005499243 557658220 /nfs/dbraw/zinc/65/82/20/557658220.db2.gz PKDWBENDGQEAMH-INIZCTEOSA-N 0 0 423.441 5.969 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000005499824 557658192 /nfs/dbraw/zinc/65/81/92/557658192.db2.gz SMPQYTWGGCRLFI-QFIPXVFZSA-N 0 0 404.535 5.134 40 0 HKABRN COc1ccc([C@](C)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n2ccnc2)cc1 ZINC000005500959 557658322 /nfs/dbraw/zinc/65/83/22/557658322.db2.gz YNYWQUWRGILPNE-AREMUKBSSA-N 0 0 406.570 6.004 40 0 HKABRN CCc1nc(C)cn1[P@](=O)(Oc1ccccc1)OC1CC(C)(C)N(O)C(C)(C)C1 ZINC000005502417 557658681 /nfs/dbraw/zinc/65/86/81/557658681.db2.gz VXWUJDLRHASQPI-LJAQVGFWSA-N 0 0 421.478 5.217 40 0 HKABRN CCOC(=O)c1ccc(-c2ccc(/C=C3/N=C(/C=C/c4ccccc4)OC3=O)o2)cc1 ZINC000005510956 557658802 /nfs/dbraw/zinc/65/88/02/557658802.db2.gz BKLSDMQHAWHKMF-TYIWKSSMSA-N 0 0 413.429 5.133 40 0 HKABRN O=C(NC1CCCCC1)c1ccc(Oc2ccc(C(=O)NC3CCCCC3)cc2)cc1 ZINC000005513308 557658983 /nfs/dbraw/zinc/65/89/83/557658983.db2.gz BVJFHXNEPYOMJC-UHFFFAOYSA-N 0 0 420.553 5.604 40 0 HKABRN CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC ZINC000005513630 557659046 /nfs/dbraw/zinc/65/90/46/557659046.db2.gz LMODBLQHQHXPEI-UHFFFAOYSA-N 0 0 422.795 6.785 40 0 HKABRN O=C(NCCCCCCNC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000005513667 557659073 /nfs/dbraw/zinc/65/90/73/557659073.db2.gz SHWMALCAIDXDLC-UHFFFAOYSA-N 0 0 423.344 5.497 40 0 HKABRN O=C(Nc1ccccc1Cl)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000005515509 557659087 /nfs/dbraw/zinc/65/90/87/557659087.db2.gz AUACXALGRHOFMG-ZHZULCJRSA-N 0 0 411.288 5.403 40 0 HKABRN O=C(NCCCCCCCCCCCCNC(=O)c1ccccc1)c1ccccc1 ZINC000005515572 569255784 /nfs/dbraw/zinc/25/57/84/569255784.db2.gz UWERUMFHBSULOR-UHFFFAOYSA-N 0 0 408.586 5.747 40 0 HKABRN CC(=O)Oc1ccc(OC(C)=O)c(C[C@@]2(C)[C@@H]3CCC[C@@H](C)[C@@]3(C)CC[C@@H]2C)c1 ZINC000005515841 560737896 /nfs/dbraw/zinc/73/78/96/560737896.db2.gz JNPCOXQSZZCMMB-RLUPKPISSA-N 0 0 400.559 5.958 40 0 HKABRN CC(=O)Oc1ccc(OC(C)=O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H](C)CCC[C@H]23)c1 ZINC000005515845 560737897 /nfs/dbraw/zinc/73/78/97/560737897.db2.gz JNPCOXQSZZCMMB-GFHGCJKTSA-N 0 0 400.559 5.958 40 0 HKABRN CC(=O)O[C@@H]1CC[C@H](OC(C)=O)[C@H](C[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C)=CCC[C@@H]32)C1 ZINC000005515859 560737884 /nfs/dbraw/zinc/73/78/84/560737884.db2.gz IZEANLPYPIOHKC-HSZAHXJDSA-N 0 0 404.591 5.839 40 0 HKABRN CC(=O)O[C@@H]1CC[C@H](OC(C)=O)[C@H](C[C@@]2(C)[C@H](C)CC[C@]3(C)C(C)=CCC[C@H]23)C1 ZINC000005515872 560737921 /nfs/dbraw/zinc/73/79/21/560737921.db2.gz IZEANLPYPIOHKC-XZNDZAFVSA-N 0 0 404.591 5.839 40 0 HKABRN Cc1ccc(C(=O)Oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000005516288 560604312 /nfs/dbraw/zinc/60/43/12/560604312.db2.gz KBXIOWJJPRCLSU-UHFFFAOYSA-N 0 0 417.486 5.168 40 0 HKABRN Cc1ccc2ccccc2c1NC(=O)CSc1n[nH]c(-c2ccccc2Cl)n1 ZINC000005519671 560626818 /nfs/dbraw/zinc/62/68/18/560626818.db2.gz FKEXTBUXUWYVAO-UHFFFAOYSA-N 0 0 408.914 5.318 40 0 HKABRN CC(C)c1ccc(CN2C[C@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 ZINC000005522908 557659645 /nfs/dbraw/zinc/65/96/45/557659645.db2.gz ZBWKTONLUIDGGK-MRXNPFEDSA-N 0 0 405.325 5.104 40 0 HKABRN CC(C)c1ccc(CN2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 ZINC000005522910 557659651 /nfs/dbraw/zinc/65/96/51/557659651.db2.gz ZBWKTONLUIDGGK-INIZCTEOSA-N 0 0 405.325 5.104 40 0 HKABRN CCCCCCOc1ccccc1[C@@H]1Nc2ccccc2-c2nnc(SC)nc2O1 ZINC000005525246 557659598 /nfs/dbraw/zinc/65/95/98/557659598.db2.gz CXHIPXILYDTLTN-OAQYLSRUSA-N 0 0 422.554 5.723 40 0 HKABRN CCCCCCOc1ccccc1[C@H]1Nc2ccccc2-c2nnc(SC)nc2O1 ZINC000005525248 557659830 /nfs/dbraw/zinc/65/98/30/557659830.db2.gz CXHIPXILYDTLTN-NRFANRHFSA-N 0 0 422.554 5.723 40 0 HKABRN CCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(O)cc1)Nc1ccccc1-2 ZINC000005525255 557659827 /nfs/dbraw/zinc/65/98/27/557659827.db2.gz GSPKTFODRSZCRT-FQEVSTJZSA-N 0 0 408.527 5.420 40 0 HKABRN CCCCCCSc1nnc2c(n1)O[C@H](c1ccc(O)cc1)Nc1ccccc1-2 ZINC000005525258 557659860 /nfs/dbraw/zinc/65/98/60/557659860.db2.gz GSPKTFODRSZCRT-HXUWFJFHSA-N 0 0 408.527 5.420 40 0 HKABRN COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000005526471 557659791 /nfs/dbraw/zinc/65/97/91/557659791.db2.gz NFUFOTGDKRMZHN-UHFFFAOYSA-N 0 0 416.864 5.594 40 0 HKABRN COc1ccc(OC)c(S[C@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000005526776 557659875 /nfs/dbraw/zinc/65/98/75/557659875.db2.gz BMBHHGDCPSSXEJ-JOCHJYFZSA-N 0 0 412.938 6.464 40 0 HKABRN COc1ccc([C@@H](c2cccc3cccc(O)c32)c2c(O)ccc3ccccc32)cc1 ZINC000005527059 557659880 /nfs/dbraw/zinc/65/98/80/557659880.db2.gz ATQHFGVNYKEZPX-MHZLTWQESA-N 0 0 406.481 6.593 40 0 HKABRN COc1ccc([C@H](c2cccc3cccc(O)c32)c2c(O)ccc3ccccc32)cc1 ZINC000005527091 557659895 /nfs/dbraw/zinc/65/98/95/557659895.db2.gz ATQHFGVNYKEZPX-HHHXNRCGSA-N 0 0 406.481 6.593 40 0 HKABRN CC(=O)Oc1ccc(OC(C)=O)c(C[C@@]2(C)[C@@H]3CCC[C@H](C)[C@@]3(C)CC[C@@H]2C)c1 ZINC000005533693 560737909 /nfs/dbraw/zinc/73/79/09/560737909.db2.gz JNPCOXQSZZCMMB-OATSOOBQSA-N 0 0 400.559 5.958 40 0 HKABRN CC(=O)Oc1ccc(OC(C)=O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@@H](C)CCC[C@H]23)c1 ZINC000005533717 560737919 /nfs/dbraw/zinc/73/79/19/560737919.db2.gz JNPCOXQSZZCMMB-ZAVYGHGMSA-N 0 0 400.559 5.958 40 0 HKABRN CC(=O)O[C@@H]1CC[C@H](OC(C)=O)[C@H](C[C@]2(C)[C@H]3CCC=C(C)[C@]3(C)CC[C@@H]2C)C1 ZINC000005533788 560737904 /nfs/dbraw/zinc/73/79/04/560737904.db2.gz IZEANLPYPIOHKC-GKZACEOPSA-N 0 0 404.591 5.839 40 0 HKABRN CC(=O)O[C@@H]1CC[C@H](OC(C)=O)[C@H](C[C@]2(C)[C@H]3CCC=C(C)[C@@]3(C)CC[C@@H]2C)C1 ZINC000005533872 560737908 /nfs/dbraw/zinc/73/79/08/560737908.db2.gz IZEANLPYPIOHKC-AQIHWMQISA-N 0 0 404.591 5.839 40 0 HKABRN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(c1ccc(C)cc1)C(=O)C2 ZINC000005541442 132306540 /nfs/dbraw/zinc/30/65/40/132306540.db2.gz HNDGWFUTBQILAB-XMMPIXPASA-N 0 0 407.897 5.344 40 0 HKABRN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(c1ccc(C)cc1)C(=O)C2 ZINC000005541467 132306788 /nfs/dbraw/zinc/30/67/88/132306788.db2.gz HNDGWFUTBQILAB-DEOSSOPVSA-N 0 0 407.897 5.344 40 0 HKABRN Cc1ccc(C)c(NC(=O)NC[C@@H]2C[C@H](NC(=O)Nc3cc(C)ccc3C)C2(C)C)c1 ZINC000005542476 557660221 /nfs/dbraw/zinc/66/02/21/557660221.db2.gz HVEOMALVDLXSSR-UGKGYDQZSA-N 0 0 422.573 5.278 40 0 HKABRN Cc1ccc(C)c(NC(=O)NC[C@@H]2C[C@@H](NC(=O)Nc3cc(C)ccc3C)C2(C)C)c1 ZINC000005542478 557660256 /nfs/dbraw/zinc/66/02/56/557660256.db2.gz HVEOMALVDLXSSR-SIKLNZKXSA-N 0 0 422.573 5.278 40 0 HKABRN Cc1ccc(C)c(NC(=O)NC[C@H]2C[C@H](NC(=O)Nc3cc(C)ccc3C)C2(C)C)c1 ZINC000005542479 557660518 /nfs/dbraw/zinc/66/05/18/557660518.db2.gz HVEOMALVDLXSSR-KNQAVFIVSA-N 0 0 422.573 5.278 40 0 HKABRN Cc1ccc(C)c(NC(=O)NC[C@H]2C[C@@H](NC(=O)Nc3cc(C)ccc3C)C2(C)C)c1 ZINC000005542480 557660430 /nfs/dbraw/zinc/66/04/30/557660430.db2.gz HVEOMALVDLXSSR-DENIHFKCSA-N 0 0 422.573 5.278 40 0 HKABRN Cc1ccc(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c(O)c1 ZINC000005542532 557660413 /nfs/dbraw/zinc/66/04/13/557660413.db2.gz LLAQUNMSWCFFFX-UHFFFAOYSA-N 0 0 401.487 5.998 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c2ccccc12 ZINC000005543027 557660460 /nfs/dbraw/zinc/66/04/60/557660460.db2.gz VOHYXSDKTKEZDI-UHFFFAOYSA-N 0 0 412.876 6.862 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c2ccccc12 ZINC000005543029 557660442 /nfs/dbraw/zinc/66/04/42/557660442.db2.gz KEPSLEQSIYUAPJ-UHFFFAOYSA-N 0 0 412.876 6.862 40 0 HKABRN Cc1ccc(C(=O)C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000005543441 557660471 /nfs/dbraw/zinc/66/04/71/557660471.db2.gz HOSABUCFAHLBTK-AZGAKELHSA-N 0 0 414.545 6.477 40 0 HKABRN Cc1ccc(C(=O)C[C@@H](c2ccccc2)[C@@H](C(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000005543448 557660406 /nfs/dbraw/zinc/66/04/06/557660406.db2.gz HOSABUCFAHLBTK-AHWVRZQESA-N 0 0 414.545 6.477 40 0 HKABRN Cc1ccc(C(=O)C[C@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000005543464 557660438 /nfs/dbraw/zinc/66/04/38/557660438.db2.gz HOSABUCFAHLBTK-AOYPEHQESA-N 0 0 414.545 6.477 40 0 HKABRN Cc1ccc(C(=O)C[C@H](c2ccccc2)[C@@H](C(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000005543468 557660516 /nfs/dbraw/zinc/66/05/16/557660516.db2.gz HOSABUCFAHLBTK-RSXGOPAZSA-N 0 0 414.545 6.477 40 0 HKABRN O=C(N/C(=C\c1cc(Cl)ccc1Cl)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000005545779 557660402 /nfs/dbraw/zinc/66/04/02/557660402.db2.gz JKNKWFNUDPQNQO-MOSHPQCFSA-N 0 0 408.288 5.798 40 0 HKABRN Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)c(C)c3)nc2c1 ZINC000005547808 557660710 /nfs/dbraw/zinc/66/07/10/557660710.db2.gz PKACAMLALAGJEU-UHFFFAOYSA-N 0 0 411.288 6.671 40 0 HKABRN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)sc2c1 ZINC000005547836 560738013 /nfs/dbraw/zinc/73/80/13/560738013.db2.gz JZGUCXJKUVPQLN-UHFFFAOYSA-N 0 0 408.910 5.943 40 0 HKABRN Cc1ccccc1NC(=O)C(=CNc1ccc(F)cc1)C(=O)Nc1ccccc1C ZINC000005549168 557660656 /nfs/dbraw/zinc/66/06/56/557660656.db2.gz PKPPJFAHNZVJMH-UHFFFAOYSA-N 0 0 403.457 5.016 40 0 HKABRN COc1cccc([C@@H]2c3cc4c(cc3O[C@H](Nc3ccccc3)[C@@H]2C)OCO4)c1OC ZINC000005550992 557660901 /nfs/dbraw/zinc/66/09/01/557660901.db2.gz GBOIKVXJSZURGV-OJJCTEDXSA-N 0 0 419.477 5.031 40 0 HKABRN COc1cccc([C@@H]2c3cc4c(cc3O[C@H](Nc3ccccc3)[C@H]2C)OCO4)c1OC ZINC000005551688 557661087 /nfs/dbraw/zinc/66/10/87/557661087.db2.gz GBOIKVXJSZURGV-ZFNHMYRTSA-N 0 0 419.477 5.031 40 0 HKABRN COc1cccc([C@H]2c3cc4c(cc3O[C@H](Nc3ccccc3)[C@H]2C)OCO4)c1OC ZINC000005551711 557661071 /nfs/dbraw/zinc/66/10/71/557661071.db2.gz GBOIKVXJSZURGV-RKPBBICVSA-N 0 0 419.477 5.031 40 0 HKABRN CCCCN1C(=O)S/C(=C\c2ccccc2OCc2ccccc2Cl)C1=O ZINC000005552396 557661221 /nfs/dbraw/zinc/66/12/21/557661221.db2.gz HPHQVSXEEFYEPI-UYRXBGFRSA-N 0 0 401.915 5.755 40 0 HKABRN CCCCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C1=O ZINC000005552399 557661194 /nfs/dbraw/zinc/66/11/94/557661194.db2.gz SFPNLOJCTVPWCT-UYRXBGFRSA-N 0 0 401.915 5.755 40 0 HKABRN CCCCN1C(=O)S/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C1=O ZINC000005552406 557661231 /nfs/dbraw/zinc/66/12/31/557661231.db2.gz OJYGXCDQPFUDRQ-UYRXBGFRSA-N 0 0 401.915 5.755 40 0 HKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C1=O ZINC000005552409 557661233 /nfs/dbraw/zinc/66/12/33/557661233.db2.gz DJZPOUJSWMEROL-UYRXBGFRSA-N 0 0 401.915 5.755 40 0 HKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O ZINC000005552411 557661427 /nfs/dbraw/zinc/66/14/27/557661427.db2.gz ZROGDKRTHJPHOV-UYRXBGFRSA-N 0 0 401.915 5.755 40 0 HKABRN CCCCN1C(=O)S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C1=O ZINC000005552421 557661415 /nfs/dbraw/zinc/66/14/15/557661415.db2.gz BHACOWIPXMSTLJ-LFIBNONCSA-N 0 0 406.301 5.546 40 0 HKABRN COc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2/C=C/c2ccc(Cl)cc2)cc1 ZINC000005553111 557661647 /nfs/dbraw/zinc/66/16/47/557661647.db2.gz RFALBESTBSCGMQ-SYZDPSRASA-N 0 0 414.892 5.848 40 0 HKABRN CCCC[C@@H](CC)COC(=O)c1ccc(C(=O)OCCCCCCCC(C)C)cc1 ZINC000005553712 557661627 /nfs/dbraw/zinc/66/16/27/557661627.db2.gz URUPPBNOHCOUEQ-JOCHJYFZSA-N 0 0 418.618 7.213 40 0 HKABRN CCCC[C@@H](CC)COC(=O)c1cccc(C(=O)OCCCCCCCC(C)C)c1 ZINC000005553719 557661650 /nfs/dbraw/zinc/66/16/50/557661650.db2.gz PRQZIYTWKPUCOW-JOCHJYFZSA-N 0 0 418.618 7.213 40 0 HKABRN CCCN(CCC)C(=O)[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000005554884 557661734 /nfs/dbraw/zinc/66/17/34/557661734.db2.gz NNUJINLVFDXQLW-RUZDIDTESA-N 0 0 401.550 5.355 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000005555417 560609057 /nfs/dbraw/zinc/60/90/57/560609057.db2.gz HCRHXRISERKGCP-UHFFFAOYSA-N 0 0 404.680 6.130 40 0 HKABRN CC(C)(C)c1ccc(OCCn2cc(/C=C3/SC(=N)NC3=O)c3ccccc32)cc1 ZINC000005563092 560618951 /nfs/dbraw/zinc/61/89/51/560618951.db2.gz JEYMRQGWIAOHGQ-KGENOOAVSA-N 0 0 419.550 5.156 40 0 HKABRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4)ccc3o2)cc1 ZINC000005568906 560738145 /nfs/dbraw/zinc/73/81/45/560738145.db2.gz UDTNLZAPIYVYLH-UHFFFAOYSA-N 0 0 417.490 5.020 40 0 HKABRN O=C(Nc1ccc(Cc2ccc(NC(=O)NC3CCCC3)cc2)cc1)NC1CCCC1 ZINC000005569714 557662662 /nfs/dbraw/zinc/66/26/62/557662662.db2.gz WULQVAOKPBTHMJ-UHFFFAOYSA-N 0 0 420.557 5.406 40 0 HKABRN CCOC(=O)[C@@H](CC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000005575310 557662770 /nfs/dbraw/zinc/66/27/70/557662770.db2.gz WHCRQVCMGLGHED-NDEPHWFRSA-N 0 0 420.552 6.758 40 0 HKABRN CCOC(=O)[C@@H](c1ccccc1)C(Cc1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005575336 557662755 /nfs/dbraw/zinc/66/27/55/557662755.db2.gz JJUANGHYYVYICO-MUUNZHRXSA-N 0 0 420.552 6.562 40 0 HKABRN CCc1cc([C@@H](c2ccccc2F)N2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000005575983 569255815 /nfs/dbraw/zinc/25/58/15/569255815.db2.gz BAPANJFOHUMVON-HSZRJFAPSA-N 0 0 422.569 6.277 40 0 HKABRN CCc1cc([C@H](c2ccccc2F)N2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000005575991 569255824 /nfs/dbraw/zinc/25/58/24/569255824.db2.gz BAPANJFOHUMVON-QHCPKHFHSA-N 0 0 422.569 6.277 40 0 HKABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000005579401 560738077 /nfs/dbraw/zinc/73/80/77/560738077.db2.gz VTNNQXGYCDXLAT-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000005579406 560738087 /nfs/dbraw/zinc/73/80/87/560738087.db2.gz FEXLUYUNLUYJRU-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCCCCSc1nnc2c(n1)OC(C)(C)Nc1ccc(Br)cc1-2 ZINC000005583040 557663440 /nfs/dbraw/zinc/66/34/40/557663440.db2.gz JSTNNRXPVJXVRH-UHFFFAOYSA-N 0 0 409.353 5.124 40 0 HKABRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccccc1Br ZINC000005583777 560738105 /nfs/dbraw/zinc/73/81/05/560738105.db2.gz FKLZIJXNNIEQRU-UHFFFAOYSA-N 0 0 402.288 5.191 40 0 HKABRN O=C(Nc1ccc(NC(=O)c2ccccc2Br)cc1)c1ccccc1F ZINC000005583782 557663422 /nfs/dbraw/zinc/66/34/22/557663422.db2.gz WGSGPZBQEPQMTC-UHFFFAOYSA-N 0 0 413.246 5.093 40 0 HKABRN COc1c(Cl)cc(C(=O)NC(=S)Nc2cccc3ccccc32)cc1Cl ZINC000005586348 557663408 /nfs/dbraw/zinc/66/34/08/557663408.db2.gz OKQCVYHVZJKYMI-UHFFFAOYSA-N 0 0 405.306 5.282 40 0 HKABRN Cc1nc(-c2ccccc2)sc1-c1cc(-c2ccccc2)c2cc(Cl)ccc2n1 ZINC000005587366 557663658 /nfs/dbraw/zinc/66/36/58/557663658.db2.gz NWKFNQCRFRPCCY-UHFFFAOYSA-N 0 0 412.945 7.654 40 0 HKABRN Cc1ccc(SCCNC(=O)c2ccccc2Nc2ccc3ccccc3c2)cc1 ZINC000005588038 557663643 /nfs/dbraw/zinc/66/36/43/557663643.db2.gz XQMIHAZDSFACCQ-UHFFFAOYSA-N 0 0 412.558 6.414 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1 ZINC000005588118 557663608 /nfs/dbraw/zinc/66/36/08/557663608.db2.gz OEYUNSKMGJCQQK-UHFFFAOYSA-N 0 0 405.454 5.069 40 0 HKABRN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccccc1 ZINC000005588724 557663637 /nfs/dbraw/zinc/66/36/37/557663637.db2.gz LQLUWEISDMSMFF-UHFFFAOYSA-N 0 0 406.898 5.010 40 0 HKABRN O=C(Nc1ccc(Br)cn1)c1sc2cc(Cl)ccc2c1Cl ZINC000005590674 560738143 /nfs/dbraw/zinc/73/81/43/560738143.db2.gz CMBAWJMWXXMECO-UHFFFAOYSA-N 0 0 402.100 5.618 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000005590682 557663832 /nfs/dbraw/zinc/66/38/32/557663832.db2.gz NZNKSMZFQOJMDX-BJMVGYQFSA-N 0 0 410.260 5.849 40 0 HKABRN CCOc1cc(C=O)cc(Br)c1OCc1cccc(Br)c1 ZINC000005592983 568935712 /nfs/dbraw/zinc/93/57/12/568935712.db2.gz LGTHPXVKOIINMC-UHFFFAOYSA-N 0 0 414.093 5.002 40 0 HKABRN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000005598893 557664497 /nfs/dbraw/zinc/66/44/97/557664497.db2.gz LYDGNBJKKUUXTO-UHFFFAOYSA-N 0 0 417.486 6.072 40 0 HKABRN O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000005602342 557664765 /nfs/dbraw/zinc/66/47/65/557664765.db2.gz LRRJHRBPJAUVCP-UHFFFAOYSA-N 0 0 404.724 6.808 40 0 HKABRN c1ccc(CNc2nc3sc4c(c3c(NCc3ccccc3)n2)CCCC4)cc1 ZINC000005603287 557664750 /nfs/dbraw/zinc/66/47/50/557664750.db2.gz SZAWMRGYFGHROJ-UHFFFAOYSA-N 0 0 400.551 5.794 40 0 HKABRN O=C(CSc1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1O ZINC000005603355 557664767 /nfs/dbraw/zinc/66/47/67/557664767.db2.gz IHZVBQIFXHKQOF-UHFFFAOYSA-N 0 0 407.516 5.556 40 0 HKABRN O=C(COc1ccc(Br)cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000005603383 557664748 /nfs/dbraw/zinc/66/47/48/557664748.db2.gz FVONGWFJYCIBMD-UHFFFAOYSA-N 0 0 412.283 5.046 40 0 HKABRN Brc1ccc(-c2csc(Sc3nc4ccccc4s3)n2)cc1 ZINC000005605089 557664958 /nfs/dbraw/zinc/66/49/58/557664958.db2.gz OKTMUQKZYZRZNQ-UHFFFAOYSA-N 0 0 405.367 6.334 40 0 HKABRN CC1(C)Cn2c3cccc4cccc(nc2-c2nc5cccc6cccc(c65)n2C1)c43 ZINC000005607469 557664962 /nfs/dbraw/zinc/66/49/62/557664962.db2.gz FPUVPFZXFJTAEP-UHFFFAOYSA-N 0 0 402.501 6.399 40 0 HKABRN CCCCCCOc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000005608086 132307161 /nfs/dbraw/zinc/30/71/61/132307161.db2.gz SWITVLMHGCJJSZ-UHFFFAOYSA-N 0 0 414.977 5.570 40 0 HKABRN Cc1cc(C(C)(C)C)cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1O ZINC000005613280 557665141 /nfs/dbraw/zinc/66/51/41/557665141.db2.gz IXAGFCSHDBLFIW-UHFFFAOYSA-N 0 0 411.354 5.432 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000005614055 569328626 /nfs/dbraw/zinc/32/86/26/569328626.db2.gz SWHIQMGRLYGVBA-OVCLIPMQSA-N 0 0 418.924 6.368 40 0 HKABRN CC(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000005614089 569328793 /nfs/dbraw/zinc/32/87/93/569328793.db2.gz RSAWXJWXOCBLEG-UHFFFAOYSA-N 0 0 422.912 5.733 40 0 HKABRN COc1cccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)c1 ZINC000005614115 557665334 /nfs/dbraw/zinc/66/53/34/557665334.db2.gz UBDXWRHUMWVRSG-UHFFFAOYSA-N 0 0 420.896 6.533 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1Cl ZINC000005614118 557665352 /nfs/dbraw/zinc/66/53/52/557665352.db2.gz TTWUWSBHOVEXNT-UHFFFAOYSA-N 0 0 420.896 6.533 40 0 HKABRN Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(C)n1-c1ccc(C)cc1 ZINC000005614391 569328828 /nfs/dbraw/zinc/32/88/28/569328828.db2.gz TUAIKPXCYYGHIV-DEDYPNTBSA-N 0 0 403.913 5.910 40 0 HKABRN CCC(=O)Nc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000005614558 557665319 /nfs/dbraw/zinc/66/53/19/557665319.db2.gz CPDFXJLAXRHZLD-UHFFFAOYSA-N 0 0 403.265 5.854 40 0 HKABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc(C)c4)cc3)oc2c1 ZINC000005615094 557665295 /nfs/dbraw/zinc/66/52/95/557665295.db2.gz HHDHONWBGJGVRU-UHFFFAOYSA-N 0 0 401.491 5.238 40 0 HKABRN O=c1[nH]c2ccc(NCc3cn(Cc4ccccc4Cl)c4ccccc34)cc2[nH]1 ZINC000005616607 557665493 /nfs/dbraw/zinc/66/54/93/557665493.db2.gz CRQPJVDKNJIAOJ-UHFFFAOYSA-N 0 0 402.885 5.125 40 0 HKABRN CCOC(=O)Nc1ccc([C@@H]2SCCN2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000005618597 557665507 /nfs/dbraw/zinc/66/55/07/557665507.db2.gz CVLYCSIGZJKOAV-KRWDZBQOSA-N 0 0 405.907 5.188 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)ccc21 ZINC000005621114 557665478 /nfs/dbraw/zinc/66/54/78/557665478.db2.gz MRCOBMIGOOHXEY-MRXNPFEDSA-N 0 0 406.913 6.182 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)ccc21 ZINC000005621119 557665518 /nfs/dbraw/zinc/66/55/18/557665518.db2.gz MRCOBMIGOOHXEY-INIZCTEOSA-N 0 0 406.913 6.182 40 0 HKABRN Cc1ccc(OCCSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)cc1 ZINC000005624127 569328782 /nfs/dbraw/zinc/32/87/82/569328782.db2.gz BEDWRZSYFIONJQ-UHFFFAOYSA-N 0 0 415.562 6.031 40 0 HKABRN Cc1ccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nnc2-c2ccccc2)cc1C ZINC000005624138 569328822 /nfs/dbraw/zinc/32/88/22/569328822.db2.gz CADYVXPPYXPXSP-UHFFFAOYSA-N 0 0 422.598 5.289 40 0 HKABRN Cc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1C ZINC000005624156 569328802 /nfs/dbraw/zinc/32/88/02/569328802.db2.gz RJANJACTARQRPV-UHFFFAOYSA-N 0 0 405.954 6.497 40 0 HKABRN Cc1ccc(-n2c(SCC(=O)N3CCCCCC3)nnc2-c2ccccc2)cc1C ZINC000005624162 560738551 /nfs/dbraw/zinc/73/85/51/560738551.db2.gz RVGZICNOAKWRHK-UHFFFAOYSA-N 0 0 420.582 5.046 40 0 HKABRN CCc1cccc(CC)c1NC(=O)CN1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000005625536 560627955 /nfs/dbraw/zinc/62/79/55/560627955.db2.gz KDCAFKGUIBMJKM-UHFFFAOYSA-N 0 0 424.976 5.159 40 0 HKABRN CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000005631902 560738545 /nfs/dbraw/zinc/73/85/45/560738545.db2.gz APXAFXYHFIVPFU-BKUYFWCQSA-N 0 0 402.475 5.035 40 0 HKABRN CC(=O)Nc1ccc(-c2nc3c(cc(Cl)c(NC(C)=O)c3Cl)[nH]2)cc1Cl ZINC000005631948 557665910 /nfs/dbraw/zinc/66/59/10/557665910.db2.gz VTZCDAYROREHGW-UHFFFAOYSA-N 0 0 411.676 5.107 40 0 HKABRN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc1 ZINC000005632607 557665938 /nfs/dbraw/zinc/66/59/38/557665938.db2.gz OWNUEULZUOCZNK-UHFFFAOYSA-N 0 0 404.897 6.698 40 0 HKABRN CC(C)CCC[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 ZINC000005632817 560635078 /nfs/dbraw/zinc/63/50/78/560635078.db2.gz YMMFNKXZULYSOQ-ZIESZSSESA-N 0 0 420.678 5.554 40 0 HKABRN Cc1sc2nc(-c3ccc(OCc4c(C)cc(C)cc4C)cc3)[nH]c(=O)c2c1C ZINC000005634753 560738566 /nfs/dbraw/zinc/73/85/66/560738566.db2.gz ZDTVGOMYWLQLLZ-UHFFFAOYSA-N 0 0 404.535 5.773 40 0 HKABRN Brc1cc2[nH]c(Br)nc3cccc(c1Br)c32 ZINC000005636333 557666088 /nfs/dbraw/zinc/66/60/88/557666088.db2.gz QYSPHAHDHGQIHB-UHFFFAOYSA-N 0 0 404.887 5.004 40 0 HKABRN CC(=O)O[C@H]1C/C=C(\C)CCCC(C)(C)[C@@H](OC(=O)c2ccc(O)cc2)/C=C/1C ZINC000005638778 568453309 /nfs/dbraw/zinc/45/33/09/568453309.db2.gz OLNKZJLTVQZYLK-CIOKVVNESA-N 0 0 400.515 5.342 40 0 HKABRN CC(=O)O[C@@H]1C/C=C(\C)CCCC(C)(C)[C@H](OC(=O)c2ccc(O)cc2)/C=C/1C ZINC000005638779 568453259 /nfs/dbraw/zinc/45/32/59/568453259.db2.gz OLNKZJLTVQZYLK-QUNOWOBBSA-N 0 0 400.515 5.342 40 0 HKABRN O=C1CC[C@@H](C(Sc2ccccc2)(Sc2ccccc2)Sc2ccccc2)C1 ZINC000005641072 569255913 /nfs/dbraw/zinc/25/59/13/569255913.db2.gz USIKWNLYPYOUFY-LJQANCHMSA-N 0 0 422.640 7.386 40 0 HKABRN COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OC(C)C ZINC000005644153 559189791 /nfs/dbraw/zinc/18/97/91/559189791.db2.gz QCSWAAQOKHYZII-RIYZIHGNSA-N 0 0 405.281 5.335 40 0 HKABRN COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OC(C)C ZINC000005644166 559189799 /nfs/dbraw/zinc/18/97/99/559189799.db2.gz ROPBKMKFGJGTJK-VGOFMYFVSA-N 0 0 405.281 5.335 40 0 HKABRN CCN1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2Cl)CC1 ZINC000005644240 132307327 /nfs/dbraw/zinc/30/73/27/132307327.db2.gz KCIKGZJQJVZWGF-UHFFFAOYSA-N 0 0 412.748 5.041 40 0 HKABRN CCN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000005644261 132307331 /nfs/dbraw/zinc/30/73/31/132307331.db2.gz WFCMSHKCWDMKNV-UHFFFAOYSA-N 0 0 412.748 5.041 40 0 HKABRN CC[C@@H](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)C(C)C ZINC000005651129 560202612 /nfs/dbraw/zinc/20/26/12/560202612.db2.gz KZJWDPNRJALLNS-LTPXOBQUSA-N 0 0 414.718 8.025 40 0 in-vitro HKABRN CC[C@H](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)C(C)C ZINC000005651457 291292959 /nfs/dbraw/zinc/29/29/59/291292959.db2.gz KZJWDPNRJALLNS-ZFVHJZABSA-N 0 0 414.718 8.025 40 0 biogenic,in-vitro HKABRN CCOc1cc(C=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000005651953 557666670 /nfs/dbraw/zinc/66/66/70/557666670.db2.gz SMXMMBQFQFBHNO-UHFFFAOYSA-N 0 0 404.087 5.546 40 0 HKABRN CCOc1cc(C=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000005651954 560738651 /nfs/dbraw/zinc/73/86/51/560738651.db2.gz XVRLKAQCTBEUEK-UHFFFAOYSA-N 0 0 414.093 5.002 40 0 HKABRN CCn1c2ccccc2c2ccc(/C=C/[C@]34NC(=O)CN3c3ccccc3C4(C)C)cc21 ZINC000005657600 568453532 /nfs/dbraw/zinc/45/35/32/568453532.db2.gz LJQIGGYRTKWYAN-MJAMSPNLSA-N 0 0 421.544 5.452 40 0 HKABRN CCn1c2ccccc2c2ccc(/C=C/[C@@]34NC(=O)CN3c3ccccc3C4(C)C)cc21 ZINC000005657603 568453519 /nfs/dbraw/zinc/45/35/19/568453519.db2.gz LJQIGGYRTKWYAN-VFAHUECZSA-N 0 0 421.544 5.452 40 0 HKABRN Cc1c(NC(=S)NC(=O)Cc2ccccc2)cccc1-c1nc2ccccc2s1 ZINC000005658714 557666717 /nfs/dbraw/zinc/66/67/17/557666717.db2.gz LPUNPSPLWBZRAM-UHFFFAOYSA-N 0 0 417.559 5.327 40 0 HKABRN Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3F)c3ccccc23)cc1 ZINC000005659197 569328820 /nfs/dbraw/zinc/32/88/20/569328820.db2.gz HMFGANDXQLXVTH-XSFVSMFZSA-N 0 0 409.464 5.683 40 0 HKABRN Cc1cccc(C)c1N[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000005659682 560639736 /nfs/dbraw/zinc/63/97/36/560639736.db2.gz PDYNTFRPPQFXAL-NRFANRHFSA-N 0 0 414.958 5.089 40 0 HKABRN Cc1cccc(C)c1N[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000005659683 560639755 /nfs/dbraw/zinc/63/97/55/560639755.db2.gz PDYNTFRPPQFXAL-OAQYLSRUSA-N 0 0 414.958 5.089 40 0 HKABRN COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1 ZINC000005661749 560738670 /nfs/dbraw/zinc/73/86/70/560738670.db2.gz JTQVKOUZHIJSSA-WEVVVXLNSA-N 0 0 405.306 5.777 40 0 HKABRN Cc1cc2c(c(C(C)(C)C)c1)OC(=O)/C2=C1/c2cc(C)cc(C(C)(C)C)c2OC1=O ZINC000005662594 557667197 /nfs/dbraw/zinc/66/71/97/557667197.db2.gz PCMCFJZDBPZKJG-VXPUYCOJSA-N 0 0 404.506 5.647 40 0 HKABRN COc1ccc(CNSC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000005662777 557667149 /nfs/dbraw/zinc/66/71/49/557667149.db2.gz QOECKKNGZZWTNW-UHFFFAOYSA-N 0 0 411.570 6.425 40 0 HKABRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000005666809 557667466 /nfs/dbraw/zinc/66/74/66/557667466.db2.gz OWXRIXNNWKJTDH-MOUTVQLLSA-N 0 0 413.904 5.583 40 0 HKABRN COc1ccc(Cn2c(-c3ccccc3)cs/c2=N\c2ccc(Cl)cc2)cc1 ZINC000005670549 560628256 /nfs/dbraw/zinc/62/82/56/560628256.db2.gz KVSYBKMATXMANC-BZZOAKBMSA-N 0 0 406.938 6.159 40 0 HKABRN CCCc1ccc(-c2nc(N3C(=O)[C@@H]4[C@H]5CC[C@H](C5=C(C)C)[C@@H]4C3=O)sc2C)cc1 ZINC000005672061 568453550 /nfs/dbraw/zinc/45/35/50/568453550.db2.gz AXVSKANOWZGUET-NZXJAIKPSA-N 0 0 420.578 5.553 40 0 HKABRN CCCc1ccc(-c2nc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5=C(C)C)[C@@H]4C3=O)sc2C)cc1 ZINC000005672065 568453598 /nfs/dbraw/zinc/45/35/98/568453598.db2.gz AXVSKANOWZGUET-YHELAOLJSA-N 0 0 420.578 5.553 40 0 HKABRN O=C1c2ccccc2N[C@@H](c2ccc(Cl)c(Cl)c2)N1c1ccc(Cl)cc1 ZINC000005673049 560738624 /nfs/dbraw/zinc/73/86/24/560738624.db2.gz DJVFLNRGEMVOTJ-LJQANCHMSA-N 0 0 403.696 6.418 40 0 HKABRN O=C1c2ccccc2N[C@H](c2ccc(Cl)c(Cl)c2)N1c1ccc(Cl)cc1 ZINC000005673085 560738658 /nfs/dbraw/zinc/73/86/58/560738658.db2.gz DJVFLNRGEMVOTJ-IBGZPJMESA-N 0 0 403.696 6.418 40 0 HKABRN CCOc1cc(/C=C2\N=C(c3ccc(CC)cc3)OC2=O)cc(Cl)c1OC(C)C ZINC000005674325 557668082 /nfs/dbraw/zinc/66/80/82/557668082.db2.gz MBGNUAVELZCZTO-UNOMPAQXSA-N 0 0 413.901 5.433 40 0 HKABRN CCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000005674373 569328803 /nfs/dbraw/zinc/32/88/03/569328803.db2.gz YPUWRQINZXFYBE-UHFFFAOYSA-N 0 0 408.885 5.172 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1Br ZINC000005676000 560738680 /nfs/dbraw/zinc/73/86/80/560738680.db2.gz WJQGUHZJEQRLNV-UHFFFAOYSA-N 0 0 408.601 5.382 40 0 HKABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000005676006 569328818 /nfs/dbraw/zinc/32/88/18/569328818.db2.gz ICQDIMKHAMQXMR-UHFFFAOYSA-N 0 0 415.276 5.507 40 0 HKABRN O=C(COc1ccccc1-c1ccccc1)Nc1ccc(Br)cc1F ZINC000005678830 560738350 /nfs/dbraw/zinc/73/83/50/560738350.db2.gz KDOGATIHWYRITA-UHFFFAOYSA-N 0 0 400.247 5.273 40 0 HKABRN O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)c2cccc3cccc(c32)C1=O ZINC000005681702 132307427 /nfs/dbraw/zinc/30/74/27/132307427.db2.gz SERRAOWKORJNPL-UHFFFAOYSA-N 0 0 411.844 5.525 40 0 HKABRN O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@H](c2ccccc2Cl)C1 ZINC000005683850 557668747 /nfs/dbraw/zinc/66/87/47/557668747.db2.gz QYACACRADAHKQU-QFIPXVFZSA-N 0 0 400.865 5.802 40 0 HKABRN O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@@H](c2ccccc2Cl)C1 ZINC000005683868 557668765 /nfs/dbraw/zinc/66/87/65/557668765.db2.gz QYACACRADAHKQU-JOCHJYFZSA-N 0 0 400.865 5.802 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)cc4)ccc3o2)cc1C ZINC000005684424 557668781 /nfs/dbraw/zinc/66/87/81/557668781.db2.gz XYTVBXCMANAPJB-WUXMJOGZSA-N 0 0 402.881 6.417 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)c(C)c4)ccc3o2)cc1C ZINC000005684428 557668778 /nfs/dbraw/zinc/66/87/78/557668778.db2.gz ONUYQXHCMKFWOX-UHFFFAOYSA-N 0 0 420.896 6.091 40 0 HKABRN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000005685059 557668814 /nfs/dbraw/zinc/66/88/14/557668814.db2.gz YVOBLQIYZYXSFR-UHFFFAOYSA-N 0 0 405.906 6.637 40 0 HKABRN O=C(Nc1cccc(Br)c1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000005685112 557668797 /nfs/dbraw/zinc/66/87/97/557668797.db2.gz KXIDVNQZBGCZAO-UHFFFAOYSA-N 0 0 403.279 5.917 40 0 HKABRN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)/C=C/c1ccccc1 ZINC000005696850 557669035 /nfs/dbraw/zinc/66/90/35/557669035.db2.gz YDLGPSRBKLWFAV-FKBWUDPFSA-N 0 0 406.610 7.044 40 0 HKABRN Cc1ccc(C2=N/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C(=O)O2)cc1 ZINC000005698700 569328796 /nfs/dbraw/zinc/32/87/96/569328796.db2.gz ARHROUMJNDVDPD-HYARGMPZSA-N 0 0 403.865 5.572 40 0 HKABRN Cc1ccc(C2=N/C(=C/c3cccc(OCc4cccc5ccccc54)c3)C(=O)O2)cc1 ZINC000005698701 569328779 /nfs/dbraw/zinc/32/87/79/569328779.db2.gz WGDIAXOBBXOMOK-YZSQISJMSA-N 0 0 419.480 6.072 40 0 HKABRN CC(=O)Oc1cc(C(c2ccccc2)c2ccccc2)c2ccccc2c1OC(C)=O ZINC000005699414 557669247 /nfs/dbraw/zinc/66/92/47/557669247.db2.gz DZMBYWAOYDTRKY-UHFFFAOYSA-N 0 0 410.469 5.871 40 0 HKABRN CC(=O)Oc1c(C)c(C(c2ccccc2)c2ccccc2)c(OC(C)=O)c2ccccc21 ZINC000005699420 557669240 /nfs/dbraw/zinc/66/92/40/557669240.db2.gz ROPYOEGDEVVEET-UHFFFAOYSA-N 0 0 424.496 6.179 40 0 HKABRN O=C(COc1ccc2ccccc2c1)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000005705191 560738347 /nfs/dbraw/zinc/73/83/47/560738347.db2.gz RYVMLMRVDORHCH-UHFFFAOYSA-N 0 0 410.498 6.134 40 0 HKABRN Cc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000005705619 569328773 /nfs/dbraw/zinc/32/87/73/569328773.db2.gz PIUVXYHLXIHZSH-UHFFFAOYSA-N 0 0 414.436 5.145 40 0 HKABRN Cc1ccc2oc(-c3cc(NC(=O)C(Cl)(Cl)Cl)ccc3Cl)nc2c1 ZINC000005710517 557669851 /nfs/dbraw/zinc/66/98/51/557669851.db2.gz HMHPKLHPOXRKBT-UHFFFAOYSA-N 0 0 404.080 5.765 40 0 HKABRN COc1cccc(OC)c1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000005710638 557669818 /nfs/dbraw/zinc/66/98/18/557669818.db2.gz IUMLNTKCTULDSQ-UHFFFAOYSA-N 0 0 404.491 5.541 40 0 HKABRN CCOc1cc(C(=S)N2CCCCC2)ccc1OCc1c(F)cccc1Cl ZINC000005712461 569328833 /nfs/dbraw/zinc/32/88/33/569328833.db2.gz UUIYSYMWXVYVGW-UHFFFAOYSA-N 0 0 407.938 5.618 40 0 HKABRN CCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)c1 ZINC000005713954 557670018 /nfs/dbraw/zinc/67/00/18/557670018.db2.gz IZFFMYXGHANXNL-UHFFFAOYSA-N 0 0 406.869 6.108 40 0 HKABRN O=Cc1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 ZINC000005713978 560738341 /nfs/dbraw/zinc/73/83/41/560738341.db2.gz ZAVPDOWHKHLJCH-UHFFFAOYSA-N 0 0 404.485 5.257 40 0 HKABRN CCCOc1ccc(C(=O)OCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000005714150 557669990 /nfs/dbraw/zinc/66/99/90/557669990.db2.gz LLMXUJZGIWLHMQ-UHFFFAOYSA-N 0 0 405.277 6.399 40 0 HKABRN COc1ccc([C@H](Nc2ccccn2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000005714791 557670036 /nfs/dbraw/zinc/67/00/36/557670036.db2.gz ZGYUEKDQJPSILA-DEOSSOPVSA-N 0 0 418.581 6.592 40 0 HKABRN CCOc1ccc(/C=C2\N=C(c3cc(Cl)ccc3Cl)OC2=O)c(OCC)c1 ZINC000005718570 557670221 /nfs/dbraw/zinc/67/02/21/557670221.db2.gz SIIHWSXFMXFFDB-MFOYZWKCSA-N 0 0 406.265 5.135 40 0 HKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000005719005 560738296 /nfs/dbraw/zinc/73/82/96/560738296.db2.gz CYQBPADVPFBVRS-QGZVFWFLSA-N 0 0 416.546 6.494 40 0 HKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000005719112 560738311 /nfs/dbraw/zinc/73/83/11/560738311.db2.gz CYQBPADVPFBVRS-KRWDZBQOSA-N 0 0 416.546 6.494 40 0 HKABRN COc1cc(OC)cc(C(=O)Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000005720130 557670410 /nfs/dbraw/zinc/67/04/10/557670410.db2.gz GQWPGUQGGCAQJU-UHFFFAOYSA-N 0 0 417.486 5.958 40 0 HKABRN CC(C)=CCC[C@H](C)CCOC(=O)CCC(=O)Nc1ccc(Br)cc1 ZINC000005721647 291285260 /nfs/dbraw/zinc/28/52/60/291285260.db2.gz FHGHBFUCSUQHNZ-INIZCTEOSA-N 0 0 410.352 5.484 40 0 HKABRN COc1ccc([C@H]2OC[C@]3(COC(=O)c4ccccc4)[C@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 ZINC000005721880 557670772 /nfs/dbraw/zinc/67/07/72/557670772.db2.gz VGRINMHUNLQXBU-MRFIEBOFSA-N 0 0 406.522 5.458 40 0 HKABRN CC(C)=CCC[C@@H](C)CCOC(=O)CCC(=O)Nc1ccc(Br)cc1 ZINC000005722949 291285019 /nfs/dbraw/zinc/28/50/19/291285019.db2.gz FHGHBFUCSUQHNZ-MRXNPFEDSA-N 0 0 410.352 5.484 40 0 HKABRN COc1ccc([C@H]2OC[C@]3(COC(=O)c4ccccc4)[C@@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 ZINC000005723268 557670722 /nfs/dbraw/zinc/67/07/22/557670722.db2.gz VGRINMHUNLQXBU-UTGBEIBVSA-N 0 0 406.522 5.458 40 0 HKABRN Cc1cc(OCC(=O)NC(c2ccccc2)c2ccccc2)ccc1Br ZINC000005724911 557670948 /nfs/dbraw/zinc/67/09/48/557670948.db2.gz HOJQCJAHOODMSN-UHFFFAOYSA-N 0 0 410.311 5.042 40 0 HKABRN CC(C)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000005727343 569328800 /nfs/dbraw/zinc/32/88/00/569328800.db2.gz AWNRSLWRHYHZMD-UHFFFAOYSA-N 0 0 408.885 5.632 40 0 HKABRN CC(C)c1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1 ZINC000005727490 557671133 /nfs/dbraw/zinc/67/11/33/557671133.db2.gz RWYVZLQNBZNDIR-UHFFFAOYSA-N 0 0 406.485 7.024 40 0 HKABRN Cc1ccc2c(c1)[nH]c(=S)n2C=C(c1ccccc1)[S@@](=O)Cc1ccccc1 ZINC000005734191 557671546 /nfs/dbraw/zinc/67/15/46/557671546.db2.gz UHVIYNSKKNNIDC-COHPBREESA-N 0 0 404.560 5.912 40 0 HKABRN Cc1ccc2c(c1)[nH]c(=S)n2C=C(c1ccccc1)[S@](=O)Cc1ccccc1 ZINC000005734193 557671599 /nfs/dbraw/zinc/67/15/99/557671599.db2.gz UHVIYNSKKNNIDC-RQLJPHHTSA-N 0 0 404.560 5.912 40 0 HKABRN O=C(c1ccc(F)cc1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000005734421 560627427 /nfs/dbraw/zinc/62/74/27/560627427.db2.gz NKELGKZCMVRODQ-LBWJZVLLSA-N 0 0 410.492 6.263 40 0 HKABRN O=C(c1ccc(F)cc1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000005734442 560627342 /nfs/dbraw/zinc/62/73/42/560627342.db2.gz NKELGKZCMVRODQ-XHXKQQPTSA-N 0 0 410.492 6.263 40 0 HKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccc2)cc1 ZINC000005735738 569328827 /nfs/dbraw/zinc/32/88/27/569328827.db2.gz VOBFGSHRWMZXND-UHFFFAOYSA-N 0 0 414.534 5.282 40 0 HKABRN CCCc1sc(Nc2ccc(Br)cc2)nc1-c1ccc(OC)cc1 ZINC000005736025 560738471 /nfs/dbraw/zinc/73/84/71/560738471.db2.gz QOPNVLVMOMUFHI-UHFFFAOYSA-N 0 0 403.345 6.277 40 0 HKABRN c1ccc(Cc2nc3cc(-c4ccc5oc(Cc6ccccc6)nc5c4)ccc3o2)cc1 ZINC000005737245 557671736 /nfs/dbraw/zinc/67/17/36/557671736.db2.gz JFHFRMURWRJDFR-UHFFFAOYSA-N 0 0 416.480 6.818 40 0 HKABRN Clc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c(Cl)c1 ZINC000005738382 557672110 /nfs/dbraw/zinc/67/21/10/557672110.db2.gz XPSUNUAREGOODT-UHFFFAOYSA-N 0 0 412.341 7.608 40 0 HKABRN O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1ccc(F)cc1 ZINC000005738428 560738415 /nfs/dbraw/zinc/73/84/15/560738415.db2.gz MJZBKBHOGPSBRI-UHFFFAOYSA-N 0 0 415.493 5.681 40 0 HKABRN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000005739616 557672116 /nfs/dbraw/zinc/67/21/16/557672116.db2.gz NHXMNGQPVZDOOD-UHFFFAOYSA-N 0 0 403.825 5.850 40 0 HKABRN CCOc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1OCC ZINC000005739714 569328801 /nfs/dbraw/zinc/32/88/01/569328801.db2.gz RLJLOGQTNRUBLH-UHFFFAOYSA-N 0 0 404.462 5.191 40 0 HKABRN Cc1cc(Nc2ccccc2)nc(SCC(=O)c2ccc(Br)cc2)n1 ZINC000005739949 557672188 /nfs/dbraw/zinc/67/21/88/557672188.db2.gz KKGHMVFQGKNWCJ-UHFFFAOYSA-N 0 0 414.328 5.266 40 0 HKABRN COc1c(C(=O)Nc2cc(-c3nc4cccnc4o3)ccc2C)ccc2ccccc21 ZINC000005740486 557672120 /nfs/dbraw/zinc/67/21/20/557672120.db2.gz DMGOKJBMPUCGGI-UHFFFAOYSA-N 0 0 409.445 5.612 40 0 HKABRN O=c1[nH]c2ccc(NCc3ccccc3OCc3ccc(Cl)cc3Cl)cc2[nH]1 ZINC000005740944 557672118 /nfs/dbraw/zinc/67/21/18/557672118.db2.gz XUDJNNXSGFXHNB-UHFFFAOYSA-N 0 0 414.292 5.354 40 0 HKABRN CCCCCC[C@H](C)OP(O[C@@H](C)CCCCCC)O[C@@H](C)CCCCCC ZINC000005743037 557672353 /nfs/dbraw/zinc/67/23/53/557672353.db2.gz CWMBGKXLZCXEIX-HJOGWXRNSA-N 0 0 418.643 9.340 40 0 HKABRN CCCCCC[C@@H](C)OP(O[C@H](C)CCCCCC)O[C@@H](C)CCCCCC ZINC000005743038 557672348 /nfs/dbraw/zinc/67/23/48/557672348.db2.gz CWMBGKXLZCXEIX-SMIHKQSGSA-N 0 0 418.643 9.340 40 0 HKABRN Cc1ccc(NC(=O)NC[C@@H]2C[C@H](NC(=O)Nc3ccc(C)cc3C)C2(C)C)c(C)c1 ZINC000005744643 557672495 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409.514 7.069 40 0 HKABRN COc1ccc(-c2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2C)cc1OC ZINC000005749302 569328763 /nfs/dbraw/zinc/32/87/63/569328763.db2.gz MMQHWPJVYTUCPU-UHFFFAOYSA-N 0 0 412.555 5.291 40 0 HKABRN Cc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000005752561 560738550 /nfs/dbraw/zinc/73/85/50/560738550.db2.gz VNLMWOATVVXDGM-UHFFFAOYSA-N 0 0 407.897 5.677 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005758799 569051878 /nfs/dbraw/zinc/05/18/78/569051878.db2.gz LNGLEOIUQBVRRY-PWNVBJGISA-N 0 0 400.647 6.856 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005758803 560202943 /nfs/dbraw/zinc/20/29/43/560202943.db2.gz JQMQKOQOLPGBBE-BUYVBUJJSA-N 0 0 402.663 6.648 40 0 in-vitro HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005758813 560202938 /nfs/dbraw/zinc/20/29/38/560202938.db2.gz CZDKQKOAHAICSF-GFYXKKFXSA-N 0 0 402.663 6.360 40 0 in-vitro HKABRN CC(C)CCC[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 ZINC000005758817 568443036 /nfs/dbraw/zinc/44/30/36/568443036.db2.gz YMMFNKXZULYSOQ-ZEQHCUNVSA-N 0 0 420.678 5.554 40 0 HKABRN CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005761341 571689630 /nfs/dbraw/zinc/68/96/30/571689630.db2.gz ARYTXMNEANMLMU-ATEDBJNTSA-N 0 0 402.707 7.715 40 0 endogenous,in-man HKABRN CC(C)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1C(C)C ZINC000005761633 557673518 /nfs/dbraw/zinc/67/35/18/557673518.db2.gz CGYONFZXYNCFCN-UHFFFAOYSA-N 0 0 410.450 7.578 40 0 in-vitro HKABRN CCOC(=O)c1cc2c(nc1C)-c1cc(Cl)ccc1O[C@H]2OCc1ccccc1 ZINC000005766751 557673721 /nfs/dbraw/zinc/67/37/21/557673721.db2.gz HPPHAEGUTUEYRC-HSZRJFAPSA-N 0 0 409.869 5.495 40 0 HKABRN O=C(Nc1nnc(/C=C/c2ccc(Cl)c(Cl)c2)o1)Nc1ccc(Cl)cc1 ZINC000005767080 557673736 /nfs/dbraw/zinc/67/37/36/557673736.db2.gz ZZCLSMYHLAYUMZ-KRXBUXKQSA-N 0 0 409.660 5.844 40 0 HKABRN O=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000005768521 568935866 /nfs/dbraw/zinc/93/58/66/568935866.db2.gz XDPGYSDFFVPFBP-UHFFFAOYSA-N 0 0 404.485 5.257 40 0 HKABRN O=C(Nc1ccc(NC(=O)c2cc3c4c(cccc4c2)CC3)cc1Cl)c1ccco1 ZINC000005771106 557673713 /nfs/dbraw/zinc/67/37/13/557673713.db2.gz CZBJOQMQYISKKQ-UHFFFAOYSA-N 0 0 416.864 5.689 40 0 HKABRN Brc1ccc(C2=NN=C(c3ccccc3)C=C(c3ccccc3)C2)cc1 ZINC000005773074 557673755 /nfs/dbraw/zinc/67/37/55/557673755.db2.gz ZIJNLHPCAQQOTG-UHFFFAOYSA-N 0 0 401.307 6.130 40 0 HKABRN O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@H](c2ccc(Cl)cc2)C1 ZINC000005774317 557673999 /nfs/dbraw/zinc/67/39/99/557673999.db2.gz FWWMDKNWLRPKNQ-QFIPXVFZSA-N 0 0 400.865 5.802 40 0 HKABRN O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000005774351 557673985 /nfs/dbraw/zinc/67/39/85/557673985.db2.gz FWWMDKNWLRPKNQ-JOCHJYFZSA-N 0 0 400.865 5.802 40 0 HKABRN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1sc2ccccc2c1Cl ZINC000005776784 557674194 /nfs/dbraw/zinc/67/41/94/557674194.db2.gz NIGBQLDFQVEQJH-UHFFFAOYSA-N 0 0 404.878 6.615 40 0 HKABRN CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(C(C)C)cc1)Nc1ccccc1-2 ZINC000005792581 557674729 /nfs/dbraw/zinc/67/47/29/557674729.db2.gz SNUANSFZOXPURF-QFIPXVFZSA-N 0 0 420.582 6.447 40 0 HKABRN CCCCCSc1nnc2c(n1)O[C@H](c1ccc(C(C)C)cc1)Nc1ccccc1-2 ZINC000005792585 557674805 /nfs/dbraw/zinc/67/48/05/557674805.db2.gz SNUANSFZOXPURF-JOCHJYFZSA-N 0 0 420.582 6.447 40 0 HKABRN Cc1c2ccccc2oc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 ZINC000005792711 557674760 /nfs/dbraw/zinc/67/47/60/557674760.db2.gz JRTYEQUXXGCTDV-UHFFFAOYSA-N 0 0 402.837 6.455 40 0 HKABRN Cc1c2ccccc2oc1C(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000005792720 557674723 /nfs/dbraw/zinc/67/47/23/557674723.db2.gz XVNRYYNDBPXPGP-UHFFFAOYSA-N 0 0 402.837 6.455 40 0 HKABRN Cc1cc(NC(=O)Nc2ccccc2)ccc1N1C(=O)c2cccc(Cl)c2C1=O ZINC000005793082 557674747 /nfs/dbraw/zinc/67/47/47/557674747.db2.gz HTBIQVXQRJRGDR-UHFFFAOYSA-N 0 0 405.841 5.093 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c(C)c1 ZINC000005793585 569328979 /nfs/dbraw/zinc/32/89/79/569328979.db2.gz UHQDXRMRFZLLDK-UHFFFAOYSA-N 0 0 408.885 5.227 40 0 HKABRN CC(C)=C1[C@@H]2CC[C@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(C)cc4C)c(C)s3)C(=O)[C@H]21 ZINC000005793620 568453992 /nfs/dbraw/zinc/45/39/92/568453992.db2.gz WHIOHBGYSHOOBF-KJWXAFIESA-N 0 0 406.551 5.217 40 0 HKABRN CC(C)=C1[C@@H]2CC[C@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(C)cc4C)c(C)s3)C(=O)[C@@H]21 ZINC000005793622 568454081 /nfs/dbraw/zinc/45/40/81/568454081.db2.gz WHIOHBGYSHOOBF-HNJRGHQBSA-N 0 0 406.551 5.217 40 0 HKABRN CC(C)=C1[C@@H]2CC[C@H]1[C@@H]1C(=O)N(c3nc(-c4cc(C)ccc4C)c(C)s3)C(=O)[C@@H]21 ZINC000005793848 568454056 /nfs/dbraw/zinc/45/40/56/568454056.db2.gz WITBSXWGOHCWRG-JSJNYSNDSA-N 0 0 406.551 5.217 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4cccc(Cl)c4C3=O)c(C)c2)cc1 ZINC000005794113 557674762 /nfs/dbraw/zinc/67/47/62/557674762.db2.gz ADPOVHZHJSKHAD-UHFFFAOYSA-N 0 0 404.853 5.010 40 0 HKABRN CC(C)=C1[C@@H]2CC[C@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(C)c(C)c4)c(C)s3)C(=O)[C@H]21 ZINC000005795192 568454023 /nfs/dbraw/zinc/45/40/23/568454023.db2.gz SOLLMDNHUHVKOG-KJWXAFIESA-N 0 0 406.551 5.217 40 0 HKABRN CC(C)=C1[C@@H]2CC[C@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(C)c(C)c4)c(C)s3)C(=O)[C@@H]21 ZINC000005795196 568454013 /nfs/dbraw/zinc/45/40/13/568454013.db2.gz SOLLMDNHUHVKOG-HNJRGHQBSA-N 0 0 406.551 5.217 40 0 HKABRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)C(Cl)(Cl)Cl)c3)nc2c1 ZINC000005795749 557674922 /nfs/dbraw/zinc/67/49/22/557674922.db2.gz SYHGWVYSPPFEJH-UHFFFAOYSA-N 0 0 404.080 5.765 40 0 HKABRN Cc1cccc(C(=O)Nc2ccc(N3C(=O)c4cccc(Cl)c4C3=O)c(C)c2)c1 ZINC000005795937 557674879 /nfs/dbraw/zinc/67/48/79/557674879.db2.gz NHERUJFIWQEGOR-UHFFFAOYSA-N 0 0 404.853 5.010 40 0 HKABRN CCOC(=O)c1ccc(-c2ccc(COC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000005797047 557675164 /nfs/dbraw/zinc/67/51/64/557675164.db2.gz MWTNYCWWDNZPHW-UHFFFAOYSA-N 0 0 406.478 5.778 40 0 HKABRN COc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000005798426 569328991 /nfs/dbraw/zinc/32/89/91/569328991.db2.gz POMZMVYURPKMTK-HMMYKYKNSA-N 0 0 407.473 5.244 40 0 HKABRN CCc1ccc(C(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000005808914 569328987 /nfs/dbraw/zinc/32/89/87/569328987.db2.gz XNAJCNLJJFVLMP-UHFFFAOYSA-N 0 0 401.487 5.565 40 0 HKABRN COc1ccc(/C=C(/NC(=O)c2ccccc2)c2nc3ccccc3s2)c(OC)c1 ZINC000005810847 557675857 /nfs/dbraw/zinc/67/58/57/557675857.db2.gz ZFCZPESPXDOQGX-XSFVSMFZSA-N 0 0 416.502 5.242 40 0 HKABRN O=C1OC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2c1ccc1ccccc21 ZINC000005813388 557676027 /nfs/dbraw/zinc/67/60/27/557676027.db2.gz LKKCVYQQCACLJG-UHFFFAOYSA-N 0 0 405.280 6.609 40 0 HKABRN Cc1cccc2c1C(=O)OC2(c1cccc2ccccc21)c1cccc2ccccc21 ZINC000005813404 557675988 /nfs/dbraw/zinc/67/59/88/557675988.db2.gz XACLMDHBNPYJIR-UHFFFAOYSA-N 0 0 400.477 6.764 40 0 HKABRN COc1ccc(/C=C/C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)cc1 ZINC000005815153 557676049 /nfs/dbraw/zinc/67/60/49/557676049.db2.gz JIRHZPHCRZZCQP-WUXMJOGZSA-N 0 0 418.880 6.117 40 0 HKABRN Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)nc2c1 ZINC000005815161 557676057 /nfs/dbraw/zinc/67/60/57/557676057.db2.gz MLCDKVCIOMFJSK-UHFFFAOYSA-N 0 0 407.267 5.818 40 0 HKABRN CCCC[C@@H](CC)COC(=O)CCSCCC(=O)OC[C@H](CC)CCCC ZINC000005821784 557676307 /nfs/dbraw/zinc/67/63/07/557676307.db2.gz NKNLSBYMGKTWDT-WOJBJXKFSA-N 0 0 402.641 6.019 40 0 HKABRN CCCC[C@H](CC)COC(=O)CCSCCC(=O)OC[C@@H](CC)CCCC ZINC000005822102 557676321 /nfs/dbraw/zinc/67/63/21/557676321.db2.gz NKNLSBYMGKTWDT-PMACEKPBSA-N 0 0 402.641 6.019 40 0 HKABRN CC[C@]12CCC[N@H+](Cc3ccccc3)[C@@H]1c1c3ccccc3[nH]c1[C@H](C(=O)OC)C2 ZINC000005824322 557676487 /nfs/dbraw/zinc/67/64/87/557676487.db2.gz IBFSIGFORJKEAJ-OLLUBJOZSA-N 0 0 402.538 5.562 40 0 HKABRN O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 ZINC000005827835 560627577 /nfs/dbraw/zinc/62/75/77/560627577.db2.gz HHCUODSRPCZXCJ-XHSDSOJGSA-N 0 0 405.567 5.935 40 0 HKABRN O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 ZINC000005827836 560627566 /nfs/dbraw/zinc/62/75/66/560627566.db2.gz HHCUODSRPCZXCJ-ARFHVFGLSA-N 0 0 405.567 5.935 40 0 HKABRN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(C(F)(F)F)cc1 ZINC000005829913 557676696 /nfs/dbraw/zinc/67/66/96/557676696.db2.gz QNOKHQQJCXOFPL-UHFFFAOYSA-N 0 0 408.601 5.139 40 0 HKABRN CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@@H](C(C)(C)C)C2 ZINC000005832691 560738893 /nfs/dbraw/zinc/73/88/93/560738893.db2.gz CBFWAWKCZDESQA-CYBMUJFWSA-N 0 0 404.963 5.763 40 0 HKABRN CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@H](C(C)(C)C)C2 ZINC000005832720 560738932 /nfs/dbraw/zinc/73/89/32/560738932.db2.gz CBFWAWKCZDESQA-ZDUSSCGKSA-N 0 0 404.963 5.763 40 0 HKABRN CC(C)(C)c1cc(CCCCOC(=O)/C=C\c2ccccc2)cc(C(C)(C)C)c1O ZINC000005839296 568454167 /nfs/dbraw/zinc/45/41/67/568454167.db2.gz XEGFJDICFXGZDO-NXVVXOECSA-N 0 0 408.582 6.567 40 0 HKABRN CCOc1cc2c(cc1[C@@H](C)c1ccc(OCc3ccccc3)c(OC)c1)OCO2 ZINC000005841432 557677127 /nfs/dbraw/zinc/67/71/27/557677127.db2.gz AEWCRSLKHLNMAM-KRWDZBQOSA-N 0 0 406.478 5.553 40 0 HKABRN COc1ccc(-c2nc3cc(NC(=O)CC(C)C)ccc3o2)cc1Br ZINC000005842794 557677321 /nfs/dbraw/zinc/67/73/21/557677321.db2.gz MURICJWOSCWXJJ-UHFFFAOYSA-N 0 0 403.276 5.251 40 0 HKABRN CC(C)Oc1ccccc1-c1nc2sc(-c3ccccc3OC(C)C)nc2s1 ZINC000005846968 568454139 /nfs/dbraw/zinc/45/41/39/568454139.db2.gz IOAQOTDSQSRERI-UHFFFAOYSA-N 0 0 410.564 6.661 40 0 HKABRN Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@@H](/C=C\c1ccccc1)SC(=N)N2 ZINC000005852606 557677531 /nfs/dbraw/zinc/67/75/31/557677531.db2.gz XGOQGZPZPBFDEW-UUKWBXHYSA-N 0 0 408.914 5.381 40 0 HKABRN COc1c(CC=C(C)C)c(O)cc2c1C[C@H](c1ccc(O)c(CC=C(C)C)c1O)CO2 ZINC000005854565 291293568 /nfs/dbraw/zinc/29/35/68/291293568.db2.gz GBRZTUJCDFSIHM-KRWDZBQOSA-N 0 0 424.537 5.548 40 0 endogenous,in-man HKABRN CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc(Cl)cc3)cc12 ZINC000005855063 560628416 /nfs/dbraw/zinc/62/84/16/560628416.db2.gz XPMUVELQRATLHZ-UHFFFAOYSA-N 0 0 406.917 5.277 40 0 HKABRN O=C(N/C=C(/c1ccccc1)[S@](=O)Cc1ccccc1)Nc1ccccc1Cl ZINC000005855763 557677576 /nfs/dbraw/zinc/67/75/76/557677576.db2.gz OXHRPTPKWHJDAN-OTECNADQSA-N 0 0 410.926 5.409 40 0 HKABRN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1cccc(OCc2ccc(F)cc2)c1 ZINC000005860457 560738981 /nfs/dbraw/zinc/73/89/81/560738981.db2.gz KFVAQVGWZJZLQD-FYJGNVAPSA-N 0 0 407.828 5.403 40 0 HKABRN Fc1ccc(COc2ccc(Br)cc2C(=S)N2CCCCC2)cc1 ZINC000005863077 569328993 /nfs/dbraw/zinc/32/89/93/569328993.db2.gz ZQYSOSDWGKOAOI-UHFFFAOYSA-N 0 0 408.336 5.329 40 0 HKABRN O=C(Nc1ccc(C23C[C@H]4C[C@H](CC(Cl)(C4)C2)C3)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005863975 557677946 /nfs/dbraw/zinc/67/79/46/557677946.db2.gz DWYLZRXNGARHNX-GCCNEOPLSA-N 0 0 424.028 6.671 40 0 HKABRN CCCOC(=O)c1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 ZINC000005864477 557677908 /nfs/dbraw/zinc/67/79/08/557677908.db2.gz IVQCSYIZRGKTJH-UHFFFAOYSA-N 0 0 412.283 5.421 40 0 HKABRN CCCc1ccc2c(N)c(C(=O)N3c4ccccc4Sc4ccccc43)sc2n1 ZINC000005865951 535427287 /nfs/dbraw/zinc/42/72/87/535427287.db2.gz RBJCTFFUBQRNRD-UHFFFAOYSA-N 0 0 417.559 6.274 40 0 HKABRN c1ccc(C(c2nonc2C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000005871710 568454298 /nfs/dbraw/zinc/45/42/98/568454298.db2.gz SYJQDVPSBVEIHO-UHFFFAOYSA-N 0 0 402.497 6.430 40 0 HKABRN N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NCCc1ccccc1 ZINC000005872145 569329048 /nfs/dbraw/zinc/32/90/48/569329048.db2.gz HACCKWAUFZRGJZ-FOWTUZBSSA-N 0 0 411.288 5.519 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1Cl ZINC000005874045 557678567 /nfs/dbraw/zinc/67/85/67/557678567.db2.gz WMMNJDNMYRLQDQ-UHFFFAOYSA-N 0 0 420.896 6.416 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl ZINC000005874050 557678590 /nfs/dbraw/zinc/67/85/90/557678590.db2.gz BYTINVAFEYIVDH-UHFFFAOYSA-N 0 0 414.288 5.875 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1Cl ZINC000005874061 557678577 /nfs/dbraw/zinc/67/85/77/557678577.db2.gz BNZGFRRTJCEALQ-UHFFFAOYSA-N 0 0 420.896 6.416 40 0 HKABRN CCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 ZINC000005874626 557678521 /nfs/dbraw/zinc/67/85/21/557678521.db2.gz MRXGDCQIBWLGNN-UHFFFAOYSA-N 0 0 414.461 5.645 40 0 HKABRN CC[C@H](OC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1)C(=O)c1ccccc1 ZINC000005875142 560738772 /nfs/dbraw/zinc/73/87/72/560738772.db2.gz SYCFTXXLGNVWEF-QFIPXVFZSA-N 0 0 401.462 5.066 40 0 HKABRN CC[C@H](OC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1)C(=O)c1ccccc1 ZINC000005875150 560738770 /nfs/dbraw/zinc/73/87/70/560738770.db2.gz LFBKGGPHRKSGNC-QFIPXVFZSA-N 0 0 401.462 5.066 40 0 HKABRN CC[C@@H](OC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1)C(=O)c1ccccc1 ZINC000005875745 560738751 /nfs/dbraw/zinc/73/87/51/560738751.db2.gz SYCFTXXLGNVWEF-JOCHJYFZSA-N 0 0 401.462 5.066 40 0 HKABRN CC[C@@H](OC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1)C(=O)c1ccccc1 ZINC000005875761 560738749 /nfs/dbraw/zinc/73/87/49/560738749.db2.gz LFBKGGPHRKSGNC-JOCHJYFZSA-N 0 0 401.462 5.066 40 0 HKABRN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)C(Cl)(Cl)Cl ZINC000005876802 557678605 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CCN(CC)c1ccc(N[C@H](C(=O)c2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000005883639 568454299 /nfs/dbraw/zinc/45/42/99/568454299.db2.gz UGBMNACLLOMDEK-DEOSSOPVSA-N 0 0 402.494 5.298 40 0 HKABRN CCN(CC)c1ccc(N[C@@H](C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000005883660 557679007 /nfs/dbraw/zinc/67/90/07/557679007.db2.gz LCMAGTCMJABXSA-RUZDIDTESA-N 0 0 418.537 5.586 40 0 HKABRN Cc1ccccc1-c1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)o1 ZINC000005885694 560628475 /nfs/dbraw/zinc/62/84/75/560628475.db2.gz LOWQHONIJGFZKU-UHFFFAOYSA-N 0 0 413.587 5.631 40 0 HKABRN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc(C)c3)c3ccccc3n2)cc1 ZINC000005889340 569329073 /nfs/dbraw/zinc/32/90/73/569329073.db2.gz JUDMUUXYPIZNHW-UHFFFAOYSA-N 0 0 410.473 5.314 40 0 HKABRN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3C)c3ccccc3n2)cc1 ZINC000005889357 569329080 /nfs/dbraw/zinc/32/90/80/569329080.db2.gz LETIOISXLXCRTC-UHFFFAOYSA-N 0 0 410.473 5.314 40 0 HKABRN O=C1OC(c2ccccc2)=N/C1=C\c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1 ZINC000005889978 557679190 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CCCCOc1ccc(C2=NNC(c3cccs3)=Nc3ccc(OCC)cc32)cc1 ZINC000005894999 560628555 /nfs/dbraw/zinc/62/85/55/560628555.db2.gz QCAAFAPCLOWYHV-UHFFFAOYSA-N 0 0 419.550 5.760 40 0 HKABRN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc2c3c(cccc31)CC2 ZINC000005897465 557679715 /nfs/dbraw/zinc/67/97/15/557679715.db2.gz BVSBVQPJRYQTBS-UHFFFAOYSA-N 0 0 406.696 5.916 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1F ZINC000005898285 557679710 /nfs/dbraw/zinc/67/97/10/557679710.db2.gz ZRPONICEMXJVFP-UHFFFAOYSA-N 0 0 403.240 6.008 40 0 HKABRN Clc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 ZINC000005899031 569329071 /nfs/dbraw/zinc/32/90/71/569329071.db2.gz VAADYFCRKVXSSD-UHFFFAOYSA-N 0 0 413.333 5.928 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(OCc2ccccc2)cc1 ZINC000005900468 557679947 /nfs/dbraw/zinc/67/99/47/557679947.db2.gz LGRGRACBYTXHIK-UHFFFAOYSA-N 0 0 405.803 6.190 40 0 HKABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000005901916 560738954 /nfs/dbraw/zinc/73/89/54/560738954.db2.gz MDCZSNWWNUOIQA-JBNJFFQFSA-N 0 0 416.974 5.303 40 0 HKABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000005902814 560738962 /nfs/dbraw/zinc/73/89/62/560738962.db2.gz MDCZSNWWNUOIQA-MUAYPFOZSA-N 0 0 416.974 5.303 40 0 HKABRN CC(C)(C)c1ccc(/C=C/C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000005903384 560739043 /nfs/dbraw/zinc/73/90/43/560739043.db2.gz OHCMAQUKWOYWFQ-FMIVXFBMSA-N 0 0 416.487 5.365 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000005904002 557680212 /nfs/dbraw/zinc/68/02/12/557680212.db2.gz LITQMAPOVXTVDI-MRXNPFEDSA-N 0 0 412.599 5.548 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 ZINC000005904006 560739117 /nfs/dbraw/zinc/73/91/17/560739117.db2.gz LITQMAPOVXTVDI-INIZCTEOSA-N 0 0 412.599 5.548 40 0 HKABRN Cc1cc(C)c2cc(CN(Cc3cccs3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000005904934 557680174 /nfs/dbraw/zinc/68/01/74/557680174.db2.gz POBPLWBAZACIGR-UHFFFAOYSA-N 0 0 423.582 5.251 40 0 HKABRN Cc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)NC2CCCCC2)cc1 ZINC000005905448 569051907 /nfs/dbraw/zinc/05/19/07/569051907.db2.gz XXXSFTWLCKSMEI-UHFFFAOYSA-N 0 0 417.553 5.189 40 0 HKABRN CC(C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000005912866 557680708 /nfs/dbraw/zinc/68/07/08/557680708.db2.gz DRQSFOUGNUNYRQ-UHFFFAOYSA-N 0 0 400.909 6.931 40 0 HKABRN CC(C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 ZINC000005912877 557680599 /nfs/dbraw/zinc/68/05/99/557680599.db2.gz ATWCKZBIDKAGDE-UHFFFAOYSA-N 0 0 400.522 6.438 40 0 HKABRN COc1ccc(C(=O)CCCCCCC(=O)c2ccc(OC)cc2OC)c(OC)c1 ZINC000005916393 557680605 /nfs/dbraw/zinc/68/06/05/557680605.db2.gz KLEZFHSSXAWLAV-UHFFFAOYSA-N 0 0 414.498 5.127 40 0 HKABRN COc1ccc(-c2cc(C(=O)Nc3ccc(OC)c(Cl)c3)c3ccccc3n2)cc1 ZINC000005917761 557680807 /nfs/dbraw/zinc/68/08/07/557680807.db2.gz XKDLXOMSJMELTB-UHFFFAOYSA-N 0 0 418.880 5.825 40 0 HKABRN C[C@@H](CCCC(C)(C)Cl)CCOC(=O)CCC(=O)Nc1nc2ccccc2s1 ZINC000005919488 568454320 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Cc1ccc(C(=O)C[C@@H](Sc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000005928423 557681035 /nfs/dbraw/zinc/68/10/35/557681035.db2.gz FSVCJRUFQZJXNU-JOCHJYFZSA-N 0 0 401.358 7.408 40 0 HKABRN Cc1ccc(OC(=O)CCCCCCCCCCC(=O)Oc2ccc(C)cc2)cc1 ZINC000005929116 557681119 /nfs/dbraw/zinc/68/11/19/557681119.db2.gz ZWKYGFDLZVTEOW-UHFFFAOYSA-N 0 0 410.554 6.715 40 0 HKABRN Cc1ccc(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000005929927 560739059 /nfs/dbraw/zinc/73/90/59/560739059.db2.gz HLTAOACKVIJPAO-UHFFFAOYSA-N 0 0 404.560 6.311 40 0 HKABRN O=P(Oc1ccccc1)(Oc1ccccc1)[C@H](Nc1ccccc1)c1ccncc1 ZINC000005939092 557681517 /nfs/dbraw/zinc/68/15/17/557681517.db2.gz CVOHYHGGAFQJDU-DEOSSOPVSA-N 0 0 416.417 6.543 40 0 HKABRN S=C1[C@H](CCCOCc2ccccc2)[C@@H]2CCC[C@@]23C[C@@]2(CCN13)OCCS2 ZINC000005940654 557681505 /nfs/dbraw/zinc/68/15/05/557681505.db2.gz JJZMKOGCLSJYJV-SKWRMQMOSA-N 0 0 417.640 5.035 40 0 HKABRN S=C1[C@@H](CCCOCc2ccccc2)[C@@H]2CCC[C@@]23C[C@@]2(CCN13)OCCS2 ZINC000005940657 557681550 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O=C(CCCCCCCCCCC(=O)c1cc(O)ccc1O)c1cc(O)ccc1O ZINC000005943961 557681759 /nfs/dbraw/zinc/68/17/59/557681759.db2.gz NVMNPLXEDWXTBH-UHFFFAOYSA-N 0 0 414.498 5.476 40 0 HKABRN CC(C)(C)c1ccc(OCCn2cc(C=O)c3cc(Br)ccc32)cc1 ZINC000005944460 560739104 /nfs/dbraw/zinc/73/91/04/560739104.db2.gz WXPPVHASVHVYEI-UHFFFAOYSA-N 0 0 400.316 5.593 40 0 HKABRN CCCCCC(=O)NC(=S)Nc1cc(C)c(O)c(-c2nc3ccccc3s2)c1 ZINC000005946115 557681918 /nfs/dbraw/zinc/68/19/18/557681918.db2.gz AUANEXQPTFOBMI-UHFFFAOYSA-N 0 0 413.568 5.371 40 0 HKABRN O=C(Nc1ccccc1)c1ccc(Cl)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000005947400 557682151 /nfs/dbraw/zinc/68/21/51/557682151.db2.gz BINFIZNQFYCSDQ-UHFFFAOYSA-N 0 0 408.929 5.747 40 0 HKABRN O=C1CS[C@@H](c2cccc(Oc3ccccc3)c2)N1c1nnc(-c2ccccc2)o1 ZINC000005948125 568476383 /nfs/dbraw/zinc/47/63/83/568476383.db2.gz WLKZDPIMEPGQGF-QFIPXVFZSA-N 0 0 415.474 5.308 40 0 HKABRN O=C1CS[C@H](c2cccc(Oc3ccccc3)c2)N1c1nnc(-c2ccccc2)o1 ZINC000005948126 568476364 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CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 ZINC000005951681 557682405 /nfs/dbraw/zinc/68/24/05/557682405.db2.gz DBOXUSXKPRJNLF-UHFFFAOYSA-N 0 0 414.505 6.543 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 ZINC000005952113 557682374 /nfs/dbraw/zinc/68/23/74/557682374.db2.gz RUHJBXMZNMZHMN-UHFFFAOYSA-N 0 0 400.478 6.153 40 0 HKABRN CCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 ZINC000005952165 557682328 /nfs/dbraw/zinc/68/23/28/557682328.db2.gz OUSOEGSGYVXLIW-UHFFFAOYSA-N 0 0 400.478 6.153 40 0 HKABRN CCOP(=O)(OCC)/C(=N\Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000005953329 569026816 /nfs/dbraw/zinc/02/68/16/569026816.db2.gz GACKBYYMSXEQRQ-ULJHMMPZSA-N 0 0 418.327 5.884 40 0 HKABRN CCOc1ccc(O)c(C(=O)CCCCCCC(=O)c2cc(OCC)ccc2O)c1 ZINC000005953526 557682420 /nfs/dbraw/zinc/68/24/20/557682420.db2.gz KFUAJKSVRIIVGE-UHFFFAOYSA-N 0 0 414.498 5.301 40 0 HKABRN CCOc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C)cc1 ZINC000005953691 560739145 /nfs/dbraw/zinc/73/91/45/560739145.db2.gz 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CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C(C)C)cc4)c3)nc2c1 ZINC000005954076 557682666 /nfs/dbraw/zinc/68/26/66/557682666.db2.gz NMGSXFCCOAMJSG-SFHVURJKSA-N 0 0 412.533 7.384 40 0 HKABRN COc1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccccc32)cc1 ZINC000005959399 560628282 /nfs/dbraw/zinc/62/82/82/560628282.db2.gz AUELPLAQVCSZHW-UHFFFAOYSA-N 0 0 406.283 5.082 40 0 HKABRN Cc1cc(Sc2cc(C)c(O)c(C3CCCCC3)c2)cc(C2CCCCC2)c1O ZINC000005960015 568454439 /nfs/dbraw/zinc/45/44/39/568454439.db2.gz AEUFASRRKKHESO-UHFFFAOYSA-N 0 0 410.623 7.961 40 0 HKABRN Cc1cc(NC(=O)c2cc(Br)ccc2Cl)ccc1Br ZINC000005960126 557682673 /nfs/dbraw/zinc/68/26/73/557682673.db2.gz AOWSLSFWLSSTRU-UHFFFAOYSA-N 0 0 403.501 5.426 40 0 HKABRN Cc1cc(NC(=O)C(Cl)(Cl)Cl)ccc1NC(=O)c1cc2ccccc2o1 ZINC000005960470 557682747 /nfs/dbraw/zinc/68/27/47/557682747.db2.gz WRRNNTVXMUZUPO-UHFFFAOYSA-N 0 0 411.672 5.302 40 0 HKABRN Cc1cc(NC(=O)c2cc3ccccc3o2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000005960477 557682778 /nfs/dbraw/zinc/68/27/78/557682778.db2.gz 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CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc4c(c3)CCC4)cc12 ZINC000005976743 560628249 /nfs/dbraw/zinc/62/82/49/560628249.db2.gz WYGZDKPKUBZRPY-UHFFFAOYSA-N 0 0 412.537 5.112 40 0 HKABRN CC(C)(C)c1ccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCCC2)cc1 ZINC000005976768 560628290 /nfs/dbraw/zinc/62/82/90/560628290.db2.gz YMMRIVNQEPXSDQ-UHFFFAOYSA-N 0 0 417.553 5.196 40 0 HKABRN O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccccc1C(F)(F)F ZINC000005976935 569329217 /nfs/dbraw/zinc/32/92/17/569329217.db2.gz AUEJOOGAHOPKOW-UHFFFAOYSA-N 0 0 415.367 5.293 40 0 HKABRN CC(C)c1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1 ZINC000005977305 569329140 /nfs/dbraw/zinc/32/91/40/569329140.db2.gz SUGBCNPKDSTDPO-UHFFFAOYSA-N 0 0 415.990 5.581 40 0 HKABRN CC(C)c1ccc(NCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000005977315 560628301 /nfs/dbraw/zinc/62/83/01/560628301.db2.gz BLEPJMWYAZAIMH-UHFFFAOYSA-N 0 0 414.553 5.747 40 0 HKABRN COc1ccc(C2=Nc3ccc(C(C)C)cc3C(c3cccs3)=NN2)cc1OC ZINC000005977365 560628292 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CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000005980263 569329216 /nfs/dbraw/zinc/32/92/16/569329216.db2.gz CNCOODWFARXIQD-UHFFFAOYSA-N 0 0 422.500 5.471 40 0 HKABRN CCOc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000005980264 569329200 /nfs/dbraw/zinc/32/92/00/569329200.db2.gz PJHZOVLBXWLPNZ-UHFFFAOYSA-N 0 0 410.901 5.368 40 0 HKABRN CCOc1cc(CNc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 ZINC000005980269 560739131 /nfs/dbraw/zinc/73/91/31/560739131.db2.gz YRDLEKQPSKUZNW-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1Cl ZINC000005980481 560739300 /nfs/dbraw/zinc/73/93/00/560739300.db2.gz COAFJZCHUCKGEN-UHFFFAOYSA-N 0 0 420.896 6.416 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000005981751 557683515 /nfs/dbraw/zinc/68/35/15/557683515.db2.gz WIJWGMFUAOHKOS-BQYQJAHWSA-N 0 0 405.306 5.777 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(C)c4OC)cc3)nc2c1 ZINC000005984570 560739320 /nfs/dbraw/zinc/73/93/20/560739320.db2.gz 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ZINC000005987910 569329223 /nfs/dbraw/zinc/32/92/23/569329223.db2.gz KMWULYQPDMVJQW-UHFFFAOYSA-N 0 0 412.345 6.533 40 0 HKABRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)Nc4ccccc4-c4ccccc4)C3)nc2c1 ZINC000005988475 560628664 /nfs/dbraw/zinc/62/86/64/560628664.db2.gz YYPAOTQVHFMHHO-HXUWFJFHSA-N 0 0 410.521 5.950 40 0 HKABRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)Nc4ccccc4-c4ccccc4)C3)nc2c1 ZINC000005988507 560628649 /nfs/dbraw/zinc/62/86/49/560628649.db2.gz YYPAOTQVHFMHHO-FQEVSTJZSA-N 0 0 410.521 5.950 40 0 HKABRN c1ccc(-c2nnc(SCc3cccc4ccccc43)nc2-c2ccccc2)cc1 ZINC000005990047 569329234 /nfs/dbraw/zinc/32/92/34/569329234.db2.gz PYWFLIUTVUVSIM-UHFFFAOYSA-N 0 0 405.526 6.651 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)cc1 ZINC000006022974 560739283 /nfs/dbraw/zinc/73/92/83/560739283.db2.gz POPIGVPICCZRBD-UHFFFAOYSA-N 0 0 420.512 7.198 40 0 HKABRN CC(C)CC(=O)NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000006023135 557684367 /nfs/dbraw/zinc/68/43/67/557684367.db2.gz KYTNSJNCFMWVJV-UHFFFAOYSA-N 0 0 403.507 5.507 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 ZINC000006023989 569329321 /nfs/dbraw/zinc/32/93/21/569329321.db2.gz MURFRLZJXRSCKS-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000006024022 560739418 /nfs/dbraw/zinc/73/94/18/560739418.db2.gz GVKLDCDOGHPZOG-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1cc(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 ZINC000006024028 569329333 /nfs/dbraw/zinc/32/93/33/569329333.db2.gz BXZSHGNVIFQDGP-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1S(=O)(=O)Nc1ccccc1 ZINC000006024044 560739376 /nfs/dbraw/zinc/73/93/76/560739376.db2.gz KVFLGXYJRDNGTH-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000006024058 560739433 /nfs/dbraw/zinc/73/94/33/560739433.db2.gz LJWSXYOYVYTSDA-UHFFFAOYSA-N 0 0 415.902 5.093 40 0 HKABRN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)ccc1OCC(C)C ZINC000006024101 569329301 /nfs/dbraw/zinc/32/93/01/569329301.db2.gz QXXRZQKHCHWNDE-UHFFFAOYSA-N 0 0 412.555 5.354 40 0 HKABRN CC1CCN(c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2Cl)CC1 ZINC000006026080 535285203 /nfs/dbraw/zinc/28/52/03/535285203.db2.gz PECMQQRFAVYGDG-UHFFFAOYSA-N 0 0 414.977 5.891 40 0 HKABRN CC1CCN(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2Cl)CC1 ZINC000006026081 560739401 /nfs/dbraw/zinc/73/94/01/560739401.db2.gz XJNYXYHYOPEPTD-UHFFFAOYSA-N 0 0 408.929 5.747 40 0 HKABRN CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000006026590 569329362 /nfs/dbraw/zinc/32/93/62/569329362.db2.gz IPNGGPZTAMYMFC-UHFFFAOYSA-N 0 0 418.537 5.640 40 0 HKABRN CCOc1cc(CNc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1C ZINC000006026591 569329350 /nfs/dbraw/zinc/32/93/50/569329350.db2.gz JCSYHVJAFVVEOH-UHFFFAOYSA-N 0 0 420.509 5.032 40 0 HKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000006026828 569329323 /nfs/dbraw/zinc/32/93/23/569329323.db2.gz OHMQAMSYOSGLGU-UHFFFAOYSA-N 0 0 412.892 5.671 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1OCC ZINC000006026967 557684657 /nfs/dbraw/zinc/68/46/57/557684657.db2.gz VIZZAWJTGVUUEZ-UHFFFAOYSA-N 0 0 402.494 5.864 40 0 HKABRN COc1ccc(NC(=S)Nc2ccccc2)cc1NC(=S)Nc1ccccc1 ZINC000006027330 557684601 /nfs/dbraw/zinc/68/46/01/557684601.db2.gz NUXCESXYCALMNN-UHFFFAOYSA-N 0 0 408.552 5.313 40 0 HKABRN Cc1ccc(C)c(-c2nc3cc(NC(=O)C45CC6CC(CC(C6)C4)C5)ccc3o2)c1 ZINC000006029297 557684526 /nfs/dbraw/zinc/68/45/26/557684526.db2.gz BMCLKUBDKBCLPP-UHFFFAOYSA-N 0 0 400.522 6.267 40 0 HKABRN COC(=O)c1ccc(C(=O)Nc2ccc3oc(-c4cc(C)ccc4C)nc3c2)cc1 ZINC000006029299 557684560 /nfs/dbraw/zinc/68/45/60/557684560.db2.gz LAJLQZFLDFANTP-UHFFFAOYSA-N 0 0 400.434 5.151 40 0 HKABRN Clc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccncc2)cc1 ZINC000006029716 569329364 /nfs/dbraw/zinc/32/93/64/569329364.db2.gz QPZXGKJJDQDPTI-UHFFFAOYSA-N 0 0 408.914 5.154 40 0 HKABRN Cc1ccc(NC(=O)CCSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000006029998 557684646 /nfs/dbraw/zinc/68/46/46/557684646.db2.gz LSVVSEFGKRDRQZ-UHFFFAOYSA-N 0 0 417.456 5.592 40 0 HKABRN C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000006031046 291296551 /nfs/dbraw/zinc/29/65/51/291296551.db2.gz DIFWJJFSELKWGA-IPQOMUISSA-N 0 0 424.713 8.233 40 0 biogenic,in-vitro HKABRN Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NC3CCCCC3)n2)cc1 ZINC000006032617 560739449 /nfs/dbraw/zinc/73/94/49/560739449.db2.gz YQJWFGRHNPFOAU-UHFFFAOYSA-N 0 0 409.477 5.012 40 0 HKABRN Cc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2)cc1 ZINC000006032638 560739429 /nfs/dbraw/zinc/73/94/29/560739429.db2.gz AHAPBYVDVBPZSZ-UHFFFAOYSA-N 0 0 417.456 5.510 40 0 HKABRN Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccccc3)n2)cc1 ZINC000006032640 560739368 /nfs/dbraw/zinc/73/93/68/560739368.db2.gz UMVATWIVXJJXLI-UHFFFAOYSA-N 0 0 403.429 5.202 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(C(C)C)cc4)ccc3o2)cc1C ZINC000006033449 557684796 /nfs/dbraw/zinc/68/47/96/557684796.db2.gz APSYDELXSXGPQY-RIYZIHGNSA-N 0 0 410.517 6.887 40 0 HKABRN Cc1cc(C)cc(OCC(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 ZINC000006033451 557684765 /nfs/dbraw/zinc/68/47/65/557684765.db2.gz IULACHUTZJOJHB-UHFFFAOYSA-N 0 0 400.478 5.746 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(C(C)C)cc4)ccc3o2)cc1C ZINC000006033453 557684758 /nfs/dbraw/zinc/68/47/58/557684758.db2.gz NDKDWLJETGDNBY-UHFFFAOYSA-N 0 0 414.505 6.253 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4C)ccc3o2)cc1C ZINC000006033455 557684733 /nfs/dbraw/zinc/68/47/33/557684733.db2.gz PGAAFNYJAQLKLB-UHFFFAOYSA-N 0 0 420.896 6.091 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(OC(C)C)cc4)ccc3o2)cc1C ZINC000006033462 557684798 /nfs/dbraw/zinc/68/47/98/557684798.db2.gz CNQABDIKOCOHOY-UHFFFAOYSA-N 0 0 400.478 6.151 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5)cc4)ccc3o2)cc1C ZINC000006033464 557684743 /nfs/dbraw/zinc/68/47/43/557684743.db2.gz SVHRNAXIEQSPAT-UHFFFAOYSA-N 0 0 418.496 7.031 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)c4cccc(OC(C)C)c4)ccc3o2)cc1C ZINC000006033466 557684747 /nfs/dbraw/zinc/68/47/47/557684747.db2.gz UGMHQYUZKHWGER-UHFFFAOYSA-N 0 0 400.478 6.151 40 0 HKABRN Cc1ccc2oc(-c3ccc(NC(=O)c4cc5ccccc5o4)c(Cl)c3)nc2c1 ZINC000006034432 557684822 /nfs/dbraw/zinc/68/48/22/557684822.db2.gz AWMDXHGIBAFCCU-UHFFFAOYSA-N 0 0 402.837 6.455 40 0 HKABRN CC(=O)O[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 ZINC000006037036 560739385 /nfs/dbraw/zinc/73/93/85/560739385.db2.gz VDZDKQBSTYNFGG-SVKCJQKNSA-N 0 0 404.591 5.529 40 0 HKABRN O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000006038229 557685038 /nfs/dbraw/zinc/68/50/38/557685038.db2.gz LYVNYLSRQLNGAY-UHFFFAOYSA-N 0 0 415.276 5.533 40 0 HKABRN O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000006038238 557685025 /nfs/dbraw/zinc/68/50/25/557685025.db2.gz LKXYPGBCWBABQS-UHFFFAOYSA-N 0 0 415.276 5.533 40 0 HKABRN Cc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2ccccc2)cc1 ZINC000006039145 557685022 /nfs/dbraw/zinc/68/50/22/557685022.db2.gz PYRSKVZRWJPPLG-UHFFFAOYSA-N 0 0 418.497 5.113 40 0 HKABRN Cc1ccc(OCCSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000006039146 569329346 /nfs/dbraw/zinc/32/93/46/569329346.db2.gz XEWDISBCZBNWJM-UHFFFAOYSA-N 0 0 401.535 5.722 40 0 HKABRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccccc2)cc1 ZINC000006039210 557685039 /nfs/dbraw/zinc/68/50/39/557685039.db2.gz QUGUPJOBEHPLGR-UHFFFAOYSA-N 0 0 418.497 5.113 40 0 HKABRN CCCCCC(=O)Nc1ccc(-c2ccc(NC(=O)CCCCC)c(C)c2)cc1C ZINC000006040093 557684958 /nfs/dbraw/zinc/68/49/58/557684958.db2.gz SCBAQHZRDLVQDZ-UHFFFAOYSA-N 0 0 408.586 7.008 40 0 HKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 ZINC000006044390 557685141 /nfs/dbraw/zinc/68/51/41/557685141.db2.gz NMBZCJILVGRFCL-UHFFFAOYSA-N 0 0 408.929 5.895 40 0 HKABRN Cc1ccc(-n2c(SCc3c(F)cccc3F)nnc2-c2cccc(C)c2)cc1 ZINC000006044471 557685171 /nfs/dbraw/zinc/68/51/71/557685171.db2.gz HBQAWJWNTUZJKF-UHFFFAOYSA-N 0 0 407.489 6.122 40 0 HKABRN Cc1ccc(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)cc1C ZINC000006044484 560739424 /nfs/dbraw/zinc/73/94/24/560739424.db2.gz NSMWKHGLOMGNHM-UHFFFAOYSA-N 0 0 412.489 5.159 40 0 HKABRN COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000006044493 569329315 /nfs/dbraw/zinc/32/93/15/569329315.db2.gz VIUVTAXKKKKSAF-UHFFFAOYSA-N 0 0 418.537 5.558 40 0 HKABRN Cc1cccc(-c2nnc(SCc3cc(C)ccc3C)n2-c2ccc(Cl)cc2)c1 ZINC000006044747 557685199 /nfs/dbraw/zinc/68/51/99/557685199.db2.gz IRLMUIMUCZGPTO-UHFFFAOYSA-N 0 0 419.981 6.805 40 0 HKABRN O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000006045125 569329320 /nfs/dbraw/zinc/32/93/20/569329320.db2.gz KEBXKYYXDOICEE-UHFFFAOYSA-N 0 0 401.293 6.106 40 0 HKABRN O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc(F)cc1 ZINC000006045533 557685158 /nfs/dbraw/zinc/68/51/58/557685158.db2.gz YXWKKSDZSVSPFE-UHFFFAOYSA-N 0 0 417.509 5.167 40 0 HKABRN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1cccc(OCc2ccccc2)c1 ZINC000006045551 557685163 /nfs/dbraw/zinc/68/51/63/557685163.db2.gz UTZHOSAWDBQHPC-UHFFFAOYSA-N 0 0 420.940 6.162 40 0 HKABRN Fc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccccc2)cc1 ZINC000006045565 557685117 /nfs/dbraw/zinc/68/51/17/557685117.db2.gz AZVRKQGRPJYMJD-UHFFFAOYSA-N 0 0 405.498 5.168 40 0 HKABRN O=C(COc1ccccc1)c1cn(CCCOc2ccccc2Cl)c2ccccc12 ZINC000006045618 560739571 /nfs/dbraw/zinc/73/95/71/560739571.db2.gz GHFBLLANSAZUEP-UHFFFAOYSA-N 0 0 419.908 6.026 40 0 HKABRN O=C(Nc1ccccc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 ZINC000006045675 569329336 /nfs/dbraw/zinc/32/93/36/569329336.db2.gz RYCPPVVXTKKJTO-UHFFFAOYSA-N 0 0 414.508 7.064 40 0 HKABRN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cccc(Cl)c1 ZINC000006047268 568982473 /nfs/dbraw/zinc/98/24/73/568982473.db2.gz QTJXUPBBKKJRMP-UHFFFAOYSA-N 0 0 403.862 5.637 40 0 HKABRN CCOc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000006048664 557685439 /nfs/dbraw/zinc/68/54/39/557685439.db2.gz YMKOXAUULQFNNW-UHFFFAOYSA-N 0 0 402.881 6.206 40 0 HKABRN CC(C)N(C(=S)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)C(C)C ZINC000006049655 569329504 /nfs/dbraw/zinc/32/95/04/569329504.db2.gz RKZGVUFRBDIEAN-UHFFFAOYSA-N 0 0 418.570 5.436 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000006050014 560739542 /nfs/dbraw/zinc/73/95/42/560739542.db2.gz PYKPOWFZAQVUPE-MDWZMJQESA-N 0 0 415.316 7.133 40 0 HKABRN CC(C)c1ccc(OCc2nnc(SCc3ccc(Cl)cc3Cl)o2)cc1 ZINC000006050056 559190083 /nfs/dbraw/zinc/19/00/83/559190083.db2.gz ZJTNKQLWDRWRFI-UHFFFAOYSA-N 0 0 409.338 6.371 40 0 HKABRN CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 ZINC000006050086 560739554 /nfs/dbraw/zinc/73/95/54/560739554.db2.gz PFRPMNQEIHFKPE-UHFFFAOYSA-N 0 0 400.434 5.599 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c1 ZINC000006051247 560739565 /nfs/dbraw/zinc/73/95/65/560739565.db2.gz YBNYGBWUAAZGJD-UHFFFAOYSA-N 0 0 412.511 5.259 40 0 HKABRN Cc1cccc(C)c1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000006063710 569329494 /nfs/dbraw/zinc/32/94/94/569329494.db2.gz FAFUWSZVDNCCKC-UHFFFAOYSA-N 0 0 410.473 5.314 40 0 HKABRN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc21)Nc1cccc(Cl)c1 ZINC000006063727 569329477 /nfs/dbraw/zinc/32/94/77/569329477.db2.gz PKZLYDXVJZSVJB-UHFFFAOYSA-N 0 0 416.864 5.351 40 0 HKABRN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc21)Nc1ccc(Cl)cc1 ZINC000006063746 569329486 /nfs/dbraw/zinc/32/94/86/569329486.db2.gz HZHJXERKRFGMPU-UHFFFAOYSA-N 0 0 416.864 5.351 40 0 HKABRN COc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(Cl)cc32)cc1 ZINC000006075402 560628825 /nfs/dbraw/zinc/62/88/25/560628825.db2.gz SSOJRMLTPYGGDM-UHFFFAOYSA-N 0 0 417.940 6.080 40 0 HKABRN CC(C)(C)c1ccc(C2=Nc3ccc(F)cc3C(c3ccc(Cl)cc3)=NN2)cc1 ZINC000006075409 560628815 /nfs/dbraw/zinc/62/88/15/560628815.db2.gz DKUNDZHLXNFHQQ-UHFFFAOYSA-N 0 0 405.904 6.211 40 0 HKABRN CN(C)c1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(F)cc32)cc1 ZINC000006075410 560628840 /nfs/dbraw/zinc/62/88/40/560628840.db2.gz IMXWHQBPCQNVDM-UHFFFAOYSA-N 0 0 414.528 5.623 40 0 HKABRN COc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 ZINC000006075418 560628850 /nfs/dbraw/zinc/62/88/50/560628850.db2.gz UWPZKHNSOUTDEM-UHFFFAOYSA-N 0 0 417.940 6.080 40 0 HKABRN COc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(OC)cc32)cc1 ZINC000006075420 560628776 /nfs/dbraw/zinc/62/87/76/560628776.db2.gz IPBJVEZGASCMCX-UHFFFAOYSA-N 0 0 413.521 5.435 40 0 HKABRN CC(C)(C)c1ccc(C2=Nc3c4ccccc4ccc3C(c3cccnc3)=NN2)cc1 ZINC000006075427 560628796 /nfs/dbraw/zinc/62/87/96/560628796.db2.gz QSCPFIYLDHULIV-UHFFFAOYSA-N 0 0 404.517 5.966 40 0 HKABRN CC(C)(C)c1ccc(C2=Nc3c4ccccc4ccc3C(c3ccncc3)=NN2)cc1 ZINC000006075428 560628820 /nfs/dbraw/zinc/62/88/20/560628820.db2.gz RREMCTJXRYHRPM-UHFFFAOYSA-N 0 0 404.517 5.966 40 0 HKABRN COc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccccc32)cc1OC ZINC000006075429 560628791 /nfs/dbraw/zinc/62/87/91/560628791.db2.gz SADKOSAIUMNLGG-UHFFFAOYSA-N 0 0 413.521 5.435 40 0 HKABRN Cc1ccc(NCc2cc3c(-c4ccc(C)cc4)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000006079385 560628893 /nfs/dbraw/zinc/62/88/93/560628893.db2.gz CVOBZJBUYXEDME-UHFFFAOYSA-N 0 0 420.516 5.610 40 0 HKABRN Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNc4ccccc4)cc23)cc1 ZINC000006079386 560628942 /nfs/dbraw/zinc/62/89/42/560628942.db2.gz RSLNDLCIUUUUOI-UHFFFAOYSA-N 0 0 406.489 5.301 40 0 HKABRN Cc1ccc(NCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)cc1C ZINC000006079405 560628935 /nfs/dbraw/zinc/62/89/35/560628935.db2.gz UYXPFQRRDBXQPD-UHFFFAOYSA-N 0 0 400.526 5.240 40 0 HKABRN O=C(NC(=S)N(c1ccccc1)c1ccc2ccccc2c1)c1ccccc1Cl ZINC000006080111 557686619 /nfs/dbraw/zinc/68/66/19/557686619.db2.gz HSSIQUPKMIAPNE-UHFFFAOYSA-N 0 0 416.933 6.346 40 0 HKABRN O=c1[nH]c2c(cc1CNc1ccccc1)c(-c1ccc(F)cc1)nn2-c1ccccc1 ZINC000006080141 560628908 /nfs/dbraw/zinc/62/89/08/560628908.db2.gz KVHGWWYRDMOVFI-UHFFFAOYSA-N 0 0 410.452 5.132 40 0 HKABRN O=C(Cn1cc(C(=O)COc2ccccc2)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000006080147 560739550 /nfs/dbraw/zinc/73/95/50/560739550.db2.gz BJCZUVJFLLPZRM-UHFFFAOYSA-N 0 0 418.880 5.195 40 0 HKABRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1ccc2ccccc2c1 ZINC000006080289 569329482 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COc1ccc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000006128201 557687391 /nfs/dbraw/zinc/68/73/91/557687391.db2.gz BZMLGNHIZDFPNN-UHFFFAOYSA-N 0 0 416.908 5.536 40 0 HKABRN COc1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000006128255 557687609 /nfs/dbraw/zinc/68/76/09/557687609.db2.gz QOTZKJJQNUHQJQ-UHFFFAOYSA-N 0 0 402.881 5.494 40 0 HKABRN COc1ccc2c(c1)C(c1ccc(OCC(C)C)cc1)=NNC(c1ccc(F)cc1)=N2 ZINC000006134895 560739939 /nfs/dbraw/zinc/73/99/39/560739939.db2.gz JIZJIRAHXRXGPZ-UHFFFAOYSA-N 0 0 417.484 5.303 40 0 HKABRN COc1ccc(C2=Nc3ccc(F)cc3C(c3ccc(OCC(C)C)cc3)=NN2)cc1 ZINC000006134896 560739918 /nfs/dbraw/zinc/73/99/18/560739918.db2.gz MMKLRZKMMKVWQU-UHFFFAOYSA-N 0 0 417.484 5.303 40 0 HKABRN CCc1ccc2c(c1)C(c1ccc(N(C)C)cc1)=NNC(c1ccc(Cl)cc1)=N2 ZINC000006134957 560739677 /nfs/dbraw/zinc/73/96/77/560739677.db2.gz FLHUSKJZOFTWJC-UHFFFAOYSA-N 0 0 402.929 5.402 40 0 HKABRN CCOc1ccc(C2=Nc3ccc(CC)cc3C(c3ccc(N(C)C)cc3)=NN2)cc1 ZINC000006134963 560739662 /nfs/dbraw/zinc/73/96/62/560739662.db2.gz HMWUBIQBCGIZJZ-UHFFFAOYSA-N 0 0 412.537 5.148 40 0 HKABRN CN(C)c1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(Cl)cc32)cc1 ZINC000006135793 560739644 /nfs/dbraw/zinc/73/96/44/560739644.db2.gz OBKYCBGTWVZFFI-UHFFFAOYSA-N 0 0 409.320 5.493 40 0 HKABRN CN(C)c1ccc(C2=NNC(c3ccc(F)cc3)=Nc3c4ccccc4ccc32)cc1 ZINC000006135810 560739679 /nfs/dbraw/zinc/73/96/79/560739679.db2.gz QIBJHDXOXLXQSL-UHFFFAOYSA-N 0 0 408.480 5.479 40 0 HKABRN CCCOc1c(Br)cc(C(=O)Nc2ccc(C)c(C)c2)cc1OCC ZINC000006138752 559190254 /nfs/dbraw/zinc/19/02/54/559190254.db2.gz MQLZUOFTLKIXNA-UHFFFAOYSA-N 0 0 406.320 5.506 40 0 HKABRN CCCOc1c(Br)cc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000006138754 559190235 /nfs/dbraw/zinc/19/02/35/559190235.db2.gz LUNVCVCQWFZBJM-UHFFFAOYSA-N 0 0 412.711 5.461 40 0 HKABRN CCCOc1c(Br)cc(C(=O)Nc2ccc(OCC)cc2)cc1OCC ZINC000006138755 559190412 /nfs/dbraw/zinc/19/04/12/559190412.db2.gz CXSOVWOIPOLNRF-UHFFFAOYSA-N 0 0 422.319 5.288 40 0 HKABRN CCCOc1c(Cl)cc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1OCC ZINC000006138773 569329498 /nfs/dbraw/zinc/32/94/98/569329498.db2.gz PSASYQFTWMVAOQ-UHFFFAOYSA-N 0 0 411.281 5.221 40 0 HKABRN CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000006144995 569329576 /nfs/dbraw/zinc/32/95/76/569329576.db2.gz WJHITDRJGIJNSB-OAHLLOKOSA-N 0 0 414.962 5.043 40 0 HKABRN CCn1c(SCc2ccc(C)cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000006144998 569329594 /nfs/dbraw/zinc/32/95/94/569329594.db2.gz WJHITDRJGIJNSB-HNNXBMFYSA-N 0 0 414.962 5.043 40 0 HKABRN COc1cc(C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC ZINC000006145546 559190384 /nfs/dbraw/zinc/19/03/84/559190384.db2.gz PTCSJYASFQATJQ-UHFFFAOYSA-N 0 0 405.075 5.025 40 0 HKABRN COc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(OC)c1OC ZINC000006145694 559190349 /nfs/dbraw/zinc/19/03/49/559190349.db2.gz BVNOLCDPALOKNW-WEVVVXLNSA-N 0 0 415.795 5.037 40 0 HKABRN COc1ccc(C2=Nc3ccc(F)cc3C(c3ccc(C(F)(F)F)cc3)=NN2)cc1 ZINC000006145738 560739777 /nfs/dbraw/zinc/73/97/77/560739777.db2.gz RQHSIUOLUJCIME-UHFFFAOYSA-N 0 0 413.374 5.287 40 0 HKABRN COc1ccc(C2=Nc3ccc(F)cc3C(c3cccc(C(F)(F)F)c3)=NN2)cc1 ZINC000006145739 560739798 /nfs/dbraw/zinc/73/97/98/560739798.db2.gz YPTBFAOYIMMDHT-UHFFFAOYSA-N 0 0 413.374 5.287 40 0 HKABRN COc1ccc(C2=Nc3ccc(OC(F)(F)F)cc3C(c3ccccc3)=NN2)cc1 ZINC000006145740 560739771 /nfs/dbraw/zinc/73/97/71/560739771.db2.gz HJBIVKBUTOPJOS-UHFFFAOYSA-N 0 0 411.383 5.028 40 0 HKABRN CCCOc1c(Br)cc(C(=O)Nc2c(C)cccc2CC)cc1OC ZINC000006152432 560739748 /nfs/dbraw/zinc/73/97/48/560739748.db2.gz KKAOPZKPXALJHZ-UHFFFAOYSA-N 0 0 406.320 5.370 40 0 HKABRN COc1ccc(-c2cc(C(=O)Nc3cccc(SC)c3)c3ccccc3n2)cc1 ZINC000006152587 557692063 /nfs/dbraw/zinc/69/20/63/557692063.db2.gz ZZWMICYWMIEMNK-UHFFFAOYSA-N 0 0 400.503 5.885 40 0 HKABRN CCCOc1c(Br)cc(C(=O)Nc2cccc3ccccc32)cc1OC ZINC000006152797 569329587 /nfs/dbraw/zinc/32/95/87/569329587.db2.gz ZOJAMHRMIXMGMY-UHFFFAOYSA-N 0 0 414.299 5.652 40 0 HKABRN CCCOc1c(Br)cc(C(=O)Nc2ccc3ccccc3c2)cc1OC ZINC000006152835 569329595 /nfs/dbraw/zinc/32/95/95/569329595.db2.gz PPANTILYFMXUAV-UHFFFAOYSA-N 0 0 414.299 5.652 40 0 HKABRN CCOc1c(Br)cc(C(=O)Nc2ccc3ccccc3c2)cc1OC ZINC000006152840 569329582 /nfs/dbraw/zinc/32/95/82/569329582.db2.gz PRQBKAHYGRESCB-UHFFFAOYSA-N 0 0 400.272 5.262 40 0 HKABRN O=C(COc1ccc(Cl)cc1Br)Nc1cccc(C(F)(F)F)c1 ZINC000006153038 557692099 /nfs/dbraw/zinc/69/20/99/557692099.db2.gz YZFBPCWMDUAVOS-UHFFFAOYSA-N 0 0 408.601 5.139 40 0 HKABRN CCCOc1c(Cl)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC ZINC000006153069 559190422 /nfs/dbraw/zinc/19/04/22/559190422.db2.gz OJYDKKBPHPHMNV-UHFFFAOYSA-N 0 0 401.812 5.799 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 ZINC000006155073 569329619 /nfs/dbraw/zinc/32/96/19/569329619.db2.gz LUOQIDSUXGMQDP-UHFFFAOYSA-N 0 0 405.519 5.716 40 0 HKABRN CCOc1c(Cl)cc(C(=O)Nc2ccc(C)cc2C)cc1OCc1ccccc1 ZINC000006155241 569329586 /nfs/dbraw/zinc/32/95/86/569329586.db2.gz DORKTYKQMPMJIM-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2)cc1OCc1ccccc1 ZINC000006155244 569329620 /nfs/dbraw/zinc/32/96/20/569329620.db2.gz DPBUVPPVXNVIAK-UHFFFAOYSA-N 0 0 416.304 6.223 40 0 HKABRN CCOc1c(Cl)cc(C(=O)Nc2ccccc2OC)cc1OCc1ccccc1 ZINC000006155250 569329626 /nfs/dbraw/zinc/32/96/26/569329626.db2.gz MJPBUCIWHOVJBI-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1cc(C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCC ZINC000006155383 559190355 /nfs/dbraw/zinc/19/03/55/559190355.db2.gz MQGBBJJELUXOAQ-UHFFFAOYSA-N 0 0 412.711 5.461 40 0 HKABRN CCOc1cc(C(=S)N2CCCCC2)cc(Cl)c1OCc1cccc(F)c1 ZINC000006155412 559190490 /nfs/dbraw/zinc/19/04/90/559190490.db2.gz XMQZIMGUGNEZJV-UHFFFAOYSA-N 0 0 407.938 5.618 40 0 HKABRN CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000006155509 569329577 /nfs/dbraw/zinc/32/95/77/569329577.db2.gz ZCBQMKRZHJSOEM-UHFFFAOYSA-N 0 0 422.500 5.471 40 0 HKABRN CCOc1cc(C(=O)Nc2cccc3ccccc32)ccc1OCc1ccc(C)cc1 ZINC000006155532 560739675 /nfs/dbraw/zinc/73/96/75/560739675.db2.gz NDCFMAAINZOLCE-UHFFFAOYSA-N 0 0 411.501 6.378 40 0 HKABRN CCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1Cl ZINC000006155789 560739624 /nfs/dbraw/zinc/73/96/24/560739624.db2.gz RCHQQEFFWBSIJK-UHFFFAOYSA-N 0 0 418.902 5.132 40 0 HKABRN Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000006159438 557692176 /nfs/dbraw/zinc/69/21/76/557692176.db2.gz ILDJITMFUSDGBG-UHFFFAOYSA-N 0 0 406.382 6.379 40 0 HKABRN COc1cccc(OC)c1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 ZINC000006160574 557692220 /nfs/dbraw/zinc/69/22/20/557692220.db2.gz PRBSBSZAKCADCW-UHFFFAOYSA-N 0 0 407.857 5.153 40 0 HKABRN CCc1cc(I)ccc1NC(=O)c1cccc2ccccc21 ZINC000006168674 557692656 /nfs/dbraw/zinc/69/26/56/557692656.db2.gz BIUQJVFCIGSIBH-UHFFFAOYSA-N 0 0 401.247 5.259 40 0 HKABRN CCc1ccc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)cc1 ZINC000006168892 560739887 /nfs/dbraw/zinc/73/98/87/560739887.db2.gz PBLXKPMGLKEXBK-UHFFFAOYSA-N 0 0 406.869 5.728 40 0 HKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)cc4)cc3n2)cc1 ZINC000006168899 560739936 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COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1OCc1ccccc1 ZINC000006174558 569329713 /nfs/dbraw/zinc/32/97/13/569329713.db2.gz HNHBLEOMGJSDAJ-UHFFFAOYSA-N 0 0 401.384 5.545 40 0 HKABRN C[C@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1c3cccc4cccc(c34)[C@@H]12 ZINC000006175979 560740002 /nfs/dbraw/zinc/74/00/02/560740002.db2.gz YZJNINMFAVGVBQ-SYTBSNSSSA-N 0 0 412.532 7.241 40 0 HKABRN COc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000006182221 569329724 /nfs/dbraw/zinc/32/97/24/569329724.db2.gz ZIEWGLSYPWQPDM-MOSHPQCFSA-N 0 0 407.516 5.263 40 0 HKABRN COc1ccc(C(=O)Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1OC ZINC000006182251 557693103 /nfs/dbraw/zinc/69/31/03/557693103.db2.gz VKNQWJFBTSCEGT-UHFFFAOYSA-N 0 0 417.486 5.958 40 0 HKABRN Cc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccc(Cl)cc1 ZINC000006185195 560740144 /nfs/dbraw/zinc/74/01/44/560740144.db2.gz SPQMBFSYBUHLSX-UHFFFAOYSA-N 0 0 404.922 6.691 40 0 HKABRN COc1ccc(-c2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2C)cc1 ZINC000006185218 560740169 /nfs/dbraw/zinc/74/01/69/560740169.db2.gz SFYWBJVTBDSPGI-UHFFFAOYSA-N 0 0 400.503 6.046 40 0 HKABRN COc1ccc(-c2nc(NC(=O)c3cccc(Br)c3)sc2C)cc1 ZINC000006185376 560740115 /nfs/dbraw/zinc/74/01/15/560740115.db2.gz VBXWLEBKZLQKOS-UHFFFAOYSA-N 0 0 403.301 5.142 40 0 HKABRN CC(C)c1ccc2c(c1)C(c1cccs1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 ZINC000006190903 560740135 /nfs/dbraw/zinc/74/01/35/560740135.db2.gz ZJUVGHXGKXGOQX-UHFFFAOYSA-N 0 0 401.579 6.603 40 0 HKABRN COc1ccc2nc(C)cc(SCC(=O)Nc3ccccc3Br)c2c1 ZINC000006193885 560740106 /nfs/dbraw/zinc/74/01/06/560740106.db2.gz MMMMFWLHQZAXJR-UHFFFAOYSA-N 0 0 417.328 5.045 40 0 HKABRN Cc1cc(OCc2nnc(SCc3ccccc3)n2-c2ccccc2)ccc1Cl ZINC000006194224 560740156 /nfs/dbraw/zinc/74/01/56/560740156.db2.gz FSECEACSSDQHAF-UHFFFAOYSA-N 0 0 421.953 6.100 40 0 HKABRN COc1ccc(-c2csc(NC(=O)CSc3cc(C)c4ccccc4n3)n2)cc1 ZINC000006194655 560740153 /nfs/dbraw/zinc/74/01/53/560740153.db2.gz GYSCUDKNXLCHLA-UHFFFAOYSA-N 0 0 421.547 5.406 40 0 HKABRN CCc1ccc2[nH]c(=O)c(CN(C(=S)NC3CCCCC3)C3CCCC3)cc2c1 ZINC000006197668 560740118 /nfs/dbraw/zinc/74/01/18/560740118.db2.gz YQPVLKGXUQEKEI-UHFFFAOYSA-N 0 0 411.615 5.042 40 0 HKABRN COc1ccc2c(c1)C(c1ccc(C(F)(F)F)cc1)=NNC(c1ccc(F)cc1)=N2 ZINC000006200086 560629870 /nfs/dbraw/zinc/62/98/70/560629870.db2.gz KWGGDNMWPMPWDU-UHFFFAOYSA-N 0 0 413.374 5.287 40 0 HKABRN COc1ccc2c(c1)C(c1ccc(C(F)(F)F)cc1)=NNC(c1cccs1)=N2 ZINC000006200088 560629809 /nfs/dbraw/zinc/62/98/09/560629809.db2.gz USFHKUBQUJXYKQ-UHFFFAOYSA-N 0 0 401.413 5.209 40 0 HKABRN COc1ccc2c(c1)C(c1cccc(C(F)(F)F)c1)=NNC(c1ccc(F)cc1)=N2 ZINC000006200090 560629857 /nfs/dbraw/zinc/62/98/57/560629857.db2.gz RNLWIOMRWMOWES-UHFFFAOYSA-N 0 0 413.374 5.287 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 ZINC000006201326 560740240 /nfs/dbraw/zinc/74/02/40/560740240.db2.gz VZTKXKCRGJDJID-KPKJPENVSA-N 0 0 417.896 6.319 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 ZINC000006201328 560740262 /nfs/dbraw/zinc/74/02/62/560740262.db2.gz KAIWWCWUXHIOKD-CXUHLZMHSA-N 0 0 409.485 6.235 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1 ZINC000006201331 560740210 /nfs/dbraw/zinc/74/02/10/560740210.db2.gz RMZUWAWBTUFIOK-NTCAYCPXSA-N 0 0 409.485 6.235 40 0 HKABRN CC(C)c1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)cc1 ZINC000006201374 559190609 /nfs/dbraw/zinc/19/06/09/559190609.db2.gz NQFQVOYLWLUWLZ-UHFFFAOYSA-N 0 0 401.963 5.190 40 0 HKABRN CC(C)c1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 ZINC000006201378 569329767 /nfs/dbraw/zinc/32/97/67/569329767.db2.gz UEBSVXJYMLYXAA-UHFFFAOYSA-N 0 0 417.892 6.489 40 0 HKABRN Cc1cc(Br)cc(Br)c1NC(=O)c1ccc(Cl)cc1 ZINC000006202593 557693981 /nfs/dbraw/zinc/69/39/81/557693981.db2.gz MKXNBFLOZRXNSS-UHFFFAOYSA-N 0 0 403.501 5.426 40 0 HKABRN COc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1cccc2ccccc21 ZINC000006202746 560740230 /nfs/dbraw/zinc/74/02/30/560740230.db2.gz YTQMQMARIAVBBC-UHFFFAOYSA-N 0 0 405.563 5.835 40 0 HKABRN CC1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2Cl)CC1 ZINC000006202771 560740232 /nfs/dbraw/zinc/74/02/32/560740232.db2.gz CKYHAOQVMCYGQE-UHFFFAOYSA-N 0 0 413.348 6.635 40 0 HKABRN Cc1cc(OCC(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)ccc1Cl ZINC000006202794 560740197 /nfs/dbraw/zinc/74/01/97/560740197.db2.gz YLIANKMLONEUAT-UHFFFAOYSA-N 0 0 406.869 5.152 40 0 HKABRN Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000006203208 560740245 /nfs/dbraw/zinc/74/02/45/560740245.db2.gz GTASMULEFSVHHP-UHFFFAOYSA-N 0 0 403.429 5.202 40 0 HKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)C(Cl)(Cl)Cl ZINC000006203395 560740192 /nfs/dbraw/zinc/74/01/92/560740192.db2.gz FOTKKXDHZXRETM-UHFFFAOYSA-N 0 0 411.720 5.161 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000006203558 569329859 /nfs/dbraw/zinc/32/98/59/569329859.db2.gz BDBJCARSYJDGAB-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000006204507 569329877 /nfs/dbraw/zinc/32/98/77/569329877.db2.gz HDMBEQFUJPDWLE-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN COc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1 ZINC000006204523 569329844 /nfs/dbraw/zinc/32/98/44/569329844.db2.gz OAKGMDSGZMEBIG-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000006204573 569329845 /nfs/dbraw/zinc/32/98/45/569329845.db2.gz SIQHDMVLNRFMKM-UHFFFAOYSA-N 0 0 411.885 6.182 40 0 HKABRN CCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)c1 ZINC000006204728 560740205 /nfs/dbraw/zinc/74/02/05/560740205.db2.gz SYIGUJFYAOJJPA-UHFFFAOYSA-N 0 0 414.509 5.332 40 0 HKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCC(C)C)c2ccccc21 ZINC000006205971 569329838 /nfs/dbraw/zinc/32/98/38/569329838.db2.gz HLNWIPBGKUNVDN-JOCHJYFZSA-N 0 0 422.550 5.642 40 0 HKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCC(C)C)c2ccccc21 ZINC000006205978 569329868 /nfs/dbraw/zinc/32/98/68/569329868.db2.gz HLNWIPBGKUNVDN-QFIPXVFZSA-N 0 0 422.550 5.642 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl ZINC000006206022 560741002 /nfs/dbraw/zinc/74/10/02/560741002.db2.gz AHDHVTCTFDMXEC-UHFFFAOYSA-N 0 0 407.124 6.243 40 0 HKABRN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc2c(c1)OCO2 ZINC000006206082 560740199 /nfs/dbraw/zinc/74/01/99/560740199.db2.gz SVSHNONUKBVTLK-UHFFFAOYSA-N 0 0 414.461 5.908 40 0 HKABRN Cc1cccc(COc2ccc(/C=C3/N=C(c4cccc(Cl)c4)OC3=O)cc2)c1 ZINC000006207101 557694251 /nfs/dbraw/zinc/69/42/51/557694251.db2.gz IEQWHRWTZLYRGN-LPYMAVHISA-N 0 0 403.865 5.572 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCC ZINC000006207220 569329853 /nfs/dbraw/zinc/32/98/53/569329853.db2.gz TWLLIULHOPQRNC-UHFFFAOYSA-N 0 0 412.711 5.461 40 0 HKABRN CCOc1cc(C(=O)N2CCCCC2)cc(Br)c1OCc1ccccc1 ZINC000006207241 569329848 /nfs/dbraw/zinc/32/98/48/569329848.db2.gz QPRPNMJUBUBYAY-UHFFFAOYSA-N 0 0 418.331 5.053 40 0 HKABRN CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1C ZINC000006207371 569329913 /nfs/dbraw/zinc/32/99/13/569329913.db2.gz IQQKGXGCWMJIJW-UHFFFAOYSA-N 0 0 418.537 5.640 40 0 HKABRN CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000006207390 569329988 /nfs/dbraw/zinc/32/99/88/569329988.db2.gz IGFQEZHOZHHMEQ-UHFFFAOYSA-N 0 0 403.975 5.725 40 0 HKABRN CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccc2ccccc2c1 ZINC000006207394 569329973 /nfs/dbraw/zinc/32/99/73/569329973.db2.gz LBMHXQZRFCQVQO-UHFFFAOYSA-N 0 0 419.590 6.225 40 0 HKABRN CCOc1cc(CNc2cccc(Cl)c2)ccc1OCc1cccc(Cl)c1 ZINC000006207401 569329910 /nfs/dbraw/zinc/32/99/10/569329910.db2.gz QSRGHPCBAHPRFX-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000006207501 569329926 /nfs/dbraw/zinc/32/99/26/569329926.db2.gz HEOIVWNXJLDZEA-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN CCOc1ccc(NC(=O)c2cc(Cl)c(OC)c(OCc3ccccc3)c2)cc1 ZINC000006207603 569329934 /nfs/dbraw/zinc/32/99/34/569329934.db2.gz INWSTCHTIMGZKY-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1 ZINC000006207641 557694190 /nfs/dbraw/zinc/69/41/90/557694190.db2.gz TVGYGKPVZYSUMF-UHFFFAOYSA-N 0 0 424.928 5.677 40 0 HKABRN CCOc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccccc2)cc1 ZINC000006207783 557694260 /nfs/dbraw/zinc/69/42/60/557694260.db2.gz DTEFGVTXXVZNSU-UHFFFAOYSA-N 0 0 415.562 6.058 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccccc1C ZINC000006207982 569329982 /nfs/dbraw/zinc/32/99/82/569329982.db2.gz SXMCADLEGVBZEP-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)Nc2nc(-c3cccc4ccccc43)cs2)cc1 ZINC000006212309 560740353 /nfs/dbraw/zinc/74/03/53/560740353.db2.gz BAIMLXHSNUEFOL-UHFFFAOYSA-N 0 0 416.546 6.278 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000006215308 557694433 /nfs/dbraw/zinc/69/44/33/557694433.db2.gz UNFWVGJJDSNJSD-UHFFFAOYSA-N 0 0 407.300 6.769 40 0 HKABRN Cc1ccc(Sc2nc(-c3ccc(C)cc3)oc2Sc2ccc(C)cc2)cc1 ZINC000006215335 557694370 /nfs/dbraw/zinc/69/43/70/557694370.db2.gz JXJOQNCMHUPQAW-UHFFFAOYSA-N 0 0 403.572 7.569 40 0 HKABRN COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3C)c3ccccc3n2)cc1 ZINC000006215363 557694422 /nfs/dbraw/zinc/69/44/22/557694422.db2.gz POKVJKUOLRRLPJ-UHFFFAOYSA-N 0 0 402.881 6.125 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000006215370 569330003 /nfs/dbraw/zinc/33/00/03/569330003.db2.gz IHBRDTZOEPJMRG-UHFFFAOYSA-N 0 0 402.346 6.846 40 0 HKABRN CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1 ZINC000006215484 569329953 /nfs/dbraw/zinc/32/99/53/569329953.db2.gz UJLSFSMZOOSQLA-LJQANCHMSA-N 0 0 400.478 5.033 40 0 HKABRN CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1 ZINC000006215487 569329944 /nfs/dbraw/zinc/32/99/44/569329944.db2.gz UJLSFSMZOOSQLA-IBGZPJMESA-N 0 0 400.478 5.033 40 0 HKABRN O=C(CSc1ccc(Br)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000006215495 560740384 /nfs/dbraw/zinc/74/03/84/560740384.db2.gz MGQXGDZOJHNTKJ-UHFFFAOYSA-N 0 0 414.324 5.972 40 0 HKABRN CCCOc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000006215502 569330009 /nfs/dbraw/zinc/33/00/09/569330009.db2.gz OTCMNCPTKXPGFV-MHWRWJLKSA-N 0 0 403.478 5.928 40 0 HKABRN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)c1C ZINC000006215506 569329924 /nfs/dbraw/zinc/32/99/24/569329924.db2.gz IWGSVWYFZCFABH-LJQANCHMSA-N 0 0 400.478 5.087 40 0 HKABRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)c1C ZINC000006215507 569329965 /nfs/dbraw/zinc/32/99/65/569329965.db2.gz IWGSVWYFZCFABH-IBGZPJMESA-N 0 0 400.478 5.087 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1C ZINC000006215873 557694418 /nfs/dbraw/zinc/69/44/18/557694418.db2.gz AWOVKYSSHUIJOF-UHFFFAOYSA-N 0 0 400.478 5.746 40 0 HKABRN COc1ccc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1 ZINC000006215876 557694467 /nfs/dbraw/zinc/69/44/67/557694467.db2.gz ARJHELSGZFHJNP-UHFFFAOYSA-N 0 0 406.869 6.026 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3o2)cc1C ZINC000006215878 557694669 /nfs/dbraw/zinc/69/46/69/557694669.db2.gz VQCBVWLAFNWQPT-UHFFFAOYSA-N 0 0 411.288 6.671 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(Br)o4)ccc3o2)cc1C ZINC000006215891 557694621 /nfs/dbraw/zinc/69/46/21/557694621.db2.gz ICEFGNAPWGIQCC-UHFFFAOYSA-N 0 0 411.255 5.719 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)c4cccc(Cl)c4Cl)ccc3o2)cc1C ZINC000006215906 557694679 /nfs/dbraw/zinc/69/46/79/557694679.db2.gz WWVYUQGTERITQH-UHFFFAOYSA-N 0 0 411.288 6.671 40 0 HKABRN COc1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC ZINC000006216633 560740404 /nfs/dbraw/zinc/74/04/04/560740404.db2.gz YBOCRSPCTRYXIG-UHFFFAOYSA-N 0 0 418.518 5.470 40 0 HKABRN COc1ccc(-c2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2C)cc1 ZINC000006217455 560740346 /nfs/dbraw/zinc/74/03/46/560740346.db2.gz GYQOMVJVLMFLPY-UHFFFAOYSA-N 0 0 414.530 5.898 40 0 HKABRN Cc1cccc(NC(=O)NC[C@@H]2C[C@H](NC(=O)Nc3cccc(C)c3C)C2(C)C)c1C ZINC000006217534 557694667 /nfs/dbraw/zinc/69/46/67/557694667.db2.gz IOHOOSISEDKQAW-UGKGYDQZSA-N 0 0 422.573 5.278 40 0 HKABRN Cc1cccc(NC(=O)NC[C@@H]2C[C@@H](NC(=O)Nc3cccc(C)c3C)C2(C)C)c1C ZINC000006217536 557694614 /nfs/dbraw/zinc/69/46/14/557694614.db2.gz IOHOOSISEDKQAW-SIKLNZKXSA-N 0 0 422.573 5.278 40 0 HKABRN Cc1cccc(NC(=O)NC[C@H]2C[C@H](NC(=O)Nc3cccc(C)c3C)C2(C)C)c1C ZINC000006217539 557694673 /nfs/dbraw/zinc/69/46/73/557694673.db2.gz IOHOOSISEDKQAW-KNQAVFIVSA-N 0 0 422.573 5.278 40 0 HKABRN Cc1cccc(NC(=O)NC[C@H]2C[C@@H](NC(=O)Nc3cccc(C)c3C)C2(C)C)c1C ZINC000006217543 557694641 /nfs/dbraw/zinc/69/46/41/557694641.db2.gz IOHOOSISEDKQAW-DENIHFKCSA-N 0 0 422.573 5.278 40 0 HKABRN C[C@@H](CCc1ccccc1)NC(=O)COc1ccc2ccccc2c1Br ZINC000006218926 557694627 /nfs/dbraw/zinc/69/46/27/557694627.db2.gz NWWSZLHAEWRRFF-INIZCTEOSA-N 0 0 412.327 5.119 40 0 HKABRN C[C@H](CCc1ccccc1)NC(=O)COc1ccc2ccccc2c1Br ZINC000006218931 557694661 /nfs/dbraw/zinc/69/46/61/557694661.db2.gz NWWSZLHAEWRRFF-MRXNPFEDSA-N 0 0 412.327 5.119 40 0 HKABRN CCCCc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000006218947 557694624 /nfs/dbraw/zinc/69/46/24/557694624.db2.gz GLXATLGJFVCYJP-UHFFFAOYSA-N 0 0 412.327 5.962 40 0 HKABRN CSc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 ZINC000006218952 557694690 /nfs/dbraw/zinc/69/46/90/557694690.db2.gz RHDHOGXXQITWNC-UHFFFAOYSA-N 0 0 402.313 5.342 40 0 HKABRN Cc1cc(OCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)ccc1Cl ZINC000006219213 560740321 /nfs/dbraw/zinc/74/03/21/560740321.db2.gz QIJZLLSDRVVORQ-UHFFFAOYSA-N 0 0 408.910 5.943 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2nnc(SCc3ccccc3)s2)c1 ZINC000006219433 557694618 /nfs/dbraw/zinc/69/46/18/557694618.db2.gz PIIFJOCNVUMJCB-UHFFFAOYSA-N 0 0 413.568 5.280 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(-c3cccc4ccccc43)cs2)c1 ZINC000006219687 560740361 /nfs/dbraw/zinc/74/03/61/560740361.db2.gz PJUANBRHCHDBMQ-UHFFFAOYSA-N 0 0 416.546 6.413 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000006221167 560740441 /nfs/dbraw/zinc/74/04/41/560740441.db2.gz HGFCUXQENWDIST-UHFFFAOYSA-N 0 0 413.904 6.903 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000006221170 557694811 /nfs/dbraw/zinc/69/48/11/557694811.db2.gz RSQAFQUTSKITSZ-UHFFFAOYSA-N 0 0 416.304 6.582 40 0 HKABRN O=C(COc1ccc2ccccc2c1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000006221184 557694904 /nfs/dbraw/zinc/69/49/04/557694904.db2.gz CAYJKNSHJCIOOH-UHFFFAOYSA-N 0 0 403.865 6.303 40 0 HKABRN O=C(NC1CCCCC1)c1cc(-c2ccc3c(c2)OCCO3)nc2c(Cl)cccc12 ZINC000006222104 557694846 /nfs/dbraw/zinc/69/48/46/557694846.db2.gz JIBNCAIRHGJZTD-UHFFFAOYSA-N 0 0 422.912 5.389 40 0 HKABRN CC[C@@H](C)c1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 ZINC000006224228 560740459 /nfs/dbraw/zinc/74/04/59/560740459.db2.gz PADGULLLMUHXQL-LLVKDONJSA-N 0 0 414.760 6.795 40 0 HKABRN CC[C@H](C)c1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 ZINC000006224732 560740425 /nfs/dbraw/zinc/74/04/25/560740425.db2.gz PADGULLLMUHXQL-NSHDSACASA-N 0 0 414.760 6.795 40 0 HKABRN Fc1cccc(COc2ccc(C(=S)N3CCCCC3)cc2Br)c1 ZINC000006224955 569329979 /nfs/dbraw/zinc/32/99/79/569329979.db2.gz HDPPLLDRIVLRFD-UHFFFAOYSA-N 0 0 408.336 5.329 40 0 HKABRN CCc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 ZINC000006225201 569329915 /nfs/dbraw/zinc/32/99/15/569329915.db2.gz SHYNOXIMOJPZNG-UHFFFAOYSA-N 0 0 403.865 5.928 40 0 HKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1 ZINC000006225350 557694833 /nfs/dbraw/zinc/69/48/33/557694833.db2.gz FXFYWUVMZLLYEZ-UHFFFAOYSA-N 0 0 408.929 5.840 40 0 HKABRN S=C(c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)N1CCCCC1 ZINC000006225534 569330092 /nfs/dbraw/zinc/33/00/92/569330092.db2.gz BDLJLSKGYXHJJR-UHFFFAOYSA-N 0 0 414.785 6.387 40 0 HKABRN CCc1ccc2oc(-c3cc(NC(=O)c4cccc(C)c4OC)ccc3Cl)nc2c1 ZINC000006225666 560740466 /nfs/dbraw/zinc/74/04/66/560740466.db2.gz MDTXYZCMQWOZOV-UHFFFAOYSA-N 0 0 420.896 6.280 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006225749 560740422 /nfs/dbraw/zinc/74/04/22/560740422.db2.gz XHLCAVGSKFQHKA-UHFFFAOYSA-N 0 0 422.550 5.173 40 0 HKABRN CCc1ccccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000006225912 569330049 /nfs/dbraw/zinc/33/00/49/569330049.db2.gz ZRZVVPJFUXJKDJ-UHFFFAOYSA-N 0 0 409.363 5.897 40 0 HKABRN CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000006226120 569330053 /nfs/dbraw/zinc/33/00/53/569330053.db2.gz ATFHHDYZJLFYJC-OAHLLOKOSA-N 0 0 414.962 5.043 40 0 HKABRN CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000006226122 569330113 /nfs/dbraw/zinc/33/01/13/569330113.db2.gz ATFHHDYZJLFYJC-HNNXBMFYSA-N 0 0 414.962 5.043 40 0 HKABRN CCn1c(COc2cccc(C)c2)nnc1SCc1ccc(Cl)cc1Cl ZINC000006226135 569330116 /nfs/dbraw/zinc/33/01/16/569330116.db2.gz VWLFDKVCPIGDQF-UHFFFAOYSA-N 0 0 408.354 5.785 40 0 HKABRN CN(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)Oc1ccccc1 ZINC000006226751 569330021 /nfs/dbraw/zinc/33/00/21/569330021.db2.gz ZPBOPHQEHNHTQI-UHFFFAOYSA-N 0 0 418.537 5.224 40 0 HKABRN Fc1ccccc1COc1ccc(Br)cc1C(=S)N1CCCCC1 ZINC000006227067 569330032 /nfs/dbraw/zinc/33/00/32/569330032.db2.gz QRKJVLQXKKGDAU-UHFFFAOYSA-N 0 0 408.336 5.329 40 0 HKABRN O=C(/C=C/c1ccccc1)NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000006227372 571305830 /nfs/dbraw/zinc/30/58/30/571305830.db2.gz RBEIXDFOHKHOLE-RMKNXTFCSA-N 0 0 408.335 5.130 40 0 HKABRN O=C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1ccccc1 ZINC000006228382 557695087 /nfs/dbraw/zinc/69/50/87/557695087.db2.gz AODQZBDHSNZPHV-UHFFFAOYSA-N 0 0 423.581 6.028 40 0 HKABRN COc1c(F)c(F)c(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c(F)c1F ZINC000006229566 560740420 /nfs/dbraw/zinc/74/04/20/560740420.db2.gz GJZCBWCXMRGMCI-UHFFFAOYSA-N 0 0 416.802 5.148 40 0 HKABRN COc1c(Cl)cc(C(=O)Nc2cccc3ccccc32)cc1OCc1ccccc1 ZINC000006229573 569330086 /nfs/dbraw/zinc/33/00/86/569330086.db2.gz PMJBYQPAEVZWPY-UHFFFAOYSA-N 0 0 417.892 6.333 40 0 HKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000006229579 560740435 /nfs/dbraw/zinc/74/04/35/560740435.db2.gz KLZJGOYSAZKOBX-UHFFFAOYSA-N 0 0 413.260 6.063 40 0 HKABRN COc1c(Br)c2ccccc2cc1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000006229588 560740437 /nfs/dbraw/zinc/74/04/37/560740437.db2.gz YJAVGPGQYHQHAT-UHFFFAOYSA-N 0 0 414.343 5.165 40 0 HKABRN COc1cc(C(=O)Nc2cccc(Br)c2)ccc1OCc1ccccc1 ZINC000006229952 569330062 /nfs/dbraw/zinc/33/00/62/569330062.db2.gz NVSIEUZQVQYZAY-UHFFFAOYSA-N 0 0 412.283 5.289 40 0 HKABRN O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(OCc2ccccc2)cc1 ZINC000006231847 557695049 /nfs/dbraw/zinc/69/50/49/557695049.db2.gz PHXOEJMTHIOLNB-UHFFFAOYSA-N 0 0 401.384 5.302 40 0 HKABRN O=C(N[C@H]1CCCc2ccccc21)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000006232057 557695039 /nfs/dbraw/zinc/69/50/39/557695039.db2.gz PBFGJYNPNOLMLR-QHCPKHFHSA-N 0 0 407.966 6.440 40 0 HKABRN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000006232058 557695084 /nfs/dbraw/zinc/69/50/84/557695084.db2.gz PBFGJYNPNOLMLR-HSZRJFAPSA-N 0 0 407.966 6.440 40 0 HKABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000006232147 557695224 /nfs/dbraw/zinc/69/52/24/557695224.db2.gz JLVOPMZEDWLSFY-UHFFFAOYSA-N 0 0 409.982 7.316 40 0 HKABRN COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)c3ccccc3n2)cc1 ZINC000006232880 557695242 /nfs/dbraw/zinc/69/52/42/557695242.db2.gz CXSYCPSETNAMIO-UHFFFAOYSA-N 0 0 402.881 6.125 40 0 HKABRN Cc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3ccccc3)C3CCCC3)cc2c1 ZINC000006233131 560630353 /nfs/dbraw/zinc/63/03/53/560630353.db2.gz PWSHNVQPHQAHHG-UHFFFAOYSA-N 0 0 407.945 6.482 40 0 HKABRN Cc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3ccccc3)C3CCCCC3)cc2c1 ZINC000006233133 560630356 /nfs/dbraw/zinc/63/03/56/560630356.db2.gz XLMRXZWSVFQJFZ-UHFFFAOYSA-N 0 0 421.972 6.872 40 0 HKABRN Cc1cc(C)c2nc(Cl)c(CN(C(=O)c3ccccc3)C3CCCCC3)cc2c1 ZINC000006233134 560630368 /nfs/dbraw/zinc/63/03/68/560630368.db2.gz AXQWMHRFUUPYEO-UHFFFAOYSA-N 0 0 406.957 6.480 40 0 HKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000006233496 560740615 /nfs/dbraw/zinc/74/06/15/560740615.db2.gz ZFTXQQXDNBDGND-UHFFFAOYSA-N 0 0 418.472 5.009 40 0 HKABRN COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccc(C)cc3Cl)nc2c1 ZINC000006233584 560740616 /nfs/dbraw/zinc/74/06/16/560740616.db2.gz HLNGVKOPRDOMFS-UHFFFAOYSA-N 0 0 406.869 6.026 40 0 HKABRN Cc1ccc(C2=NNC(c3cccs3)=Nc3ccc(OC(F)(F)F)cc32)cc1 ZINC000006233801 560630340 /nfs/dbraw/zinc/63/03/40/560630340.db2.gz XAXZAHSVFUJQOD-UHFFFAOYSA-N 0 0 401.413 5.389 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)NCCSCc3ccccc3)cc2)cc1 ZINC000006233977 560740547 /nfs/dbraw/zinc/74/05/47/560740547.db2.gz WMAWTHRQQXAETH-UHFFFAOYSA-N 0 0 407.604 5.951 40 0 HKABRN Cc1ccc(NC(=O)COc2ccc(CNc3ccc(F)cc3)cc2Cl)cc1C ZINC000006234109 569330126 /nfs/dbraw/zinc/33/01/26/569330126.db2.gz WEAIMDQFANSDPT-UHFFFAOYSA-N 0 0 412.892 5.726 40 0 HKABRN Cc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)o2)cc1Cl ZINC000006234161 569330111 /nfs/dbraw/zinc/33/01/11/569330111.db2.gz XZQDTRBSXVPNLW-UHFFFAOYSA-N 0 0 408.310 5.006 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3C(F)(F)F)o2)cc1Cl ZINC000006234176 560740588 /nfs/dbraw/zinc/74/05/88/560740588.db2.gz LAOWBQSVNCIGPR-PKNBQFBNSA-N 0 0 405.803 6.579 40 0 HKABRN Cc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)C3CCCCC3)cc2c1 ZINC000006234320 560630312 /nfs/dbraw/zinc/63/03/12/560630312.db2.gz GQXFGBPJYCRCFG-UHFFFAOYSA-N 0 0 412.986 6.367 40 0 HKABRN COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 ZINC000006234500 560740582 /nfs/dbraw/zinc/74/05/82/560740582.db2.gz NQKYTZXPQAFXOB-UHFFFAOYSA-N 0 0 414.505 6.362 40 0 HKABRN O=C(Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CCCCCC1 ZINC000006234832 569330105 /nfs/dbraw/zinc/33/01/05/569330105.db2.gz HIVDOCNKGSLHSI-UHFFFAOYSA-N 0 0 400.486 5.028 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 ZINC000006235001 569330163 /nfs/dbraw/zinc/33/01/63/569330163.db2.gz MCAHEAJFSSBKTQ-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)cc1 ZINC000006235008 569330131 /nfs/dbraw/zinc/33/01/31/569330131.db2.gz AWVQMFKYNDSTKY-UHFFFAOYSA-N 0 0 422.550 5.480 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000006235020 560740608 /nfs/dbraw/zinc/74/06/08/560740608.db2.gz SYHLNQIVIUQHSN-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2C)cc1C ZINC000006235039 569330215 /nfs/dbraw/zinc/33/02/15/569330215.db2.gz RDMVZHTVBUEFKS-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1cc(C)cc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000006236005 569330182 /nfs/dbraw/zinc/33/01/82/569330182.db2.gz GBGHZHUMZHMPSA-UHFFFAOYSA-N 0 0 409.363 5.952 40 0 HKABRN COc1ccc(Cl)cc1C(=O)Nc1nnc(SCc2ccc(C)cc2)s1 ZINC000006237406 557695332 /nfs/dbraw/zinc/69/53/32/557695332.db2.gz GBUFYCBBYGPQSF-UHFFFAOYSA-N 0 0 405.932 5.053 40 0 HKABRN Cc1cccc2sc(NC(=O)CSc3nc4cc(Cl)ccc4s3)nc21 ZINC000006237876 557695275 /nfs/dbraw/zinc/69/52/75/557695275.db2.gz MQVYGSXNDKYECO-UHFFFAOYSA-N 0 0 405.957 5.599 40 0 HKABRN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1c(F)c(F)c(F)c(F)c1F ZINC000006238083 557695503 /nfs/dbraw/zinc/69/55/03/557695503.db2.gz PTZVXVNNOZEAHN-UHFFFAOYSA-N 0 0 404.294 5.443 40 0 HKABRN Cc1ccccc1C(=O)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000006238383 557695462 /nfs/dbraw/zinc/69/54/62/557695462.db2.gz TWKIWVBXIFFWHT-UHFFFAOYSA-N 0 0 412.876 6.862 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000006239187 132309813 /nfs/dbraw/zinc/30/98/13/132309813.db2.gz WRQJCWYZRHSZOF-BJMVGYQFSA-N 0 0 418.459 5.317 40 0 HKABRN CC(C)c1ccc(-c2nc3c(cc(Br)c(N)c3Br)o2)cc1 ZINC000006239435 569279810 /nfs/dbraw/zinc/27/98/10/569279810.db2.gz PHWHEXUSISKNNQ-UHFFFAOYSA-N 0 0 410.109 5.725 40 0 HKABRN CC(C)c1ccc2oc(-c3cc(Br)c(N)c(Br)c3)nc2c1 ZINC000006239442 569279775 /nfs/dbraw/zinc/27/97/75/569279775.db2.gz HEKDJMZICOXJHH-UHFFFAOYSA-N 0 0 410.109 5.725 40 0 HKABRN CCCCC(=O)NC(=S)Nc1cccc(-c2nc3cc([C@@H](C)CC)ccc3o2)c1 ZINC000006240662 557695643 /nfs/dbraw/zinc/69/56/43/557695643.db2.gz OMZARZDPASBJHA-HNNXBMFYSA-N 0 0 409.555 6.012 40 0 HKABRN CCCCC(=O)NC(=S)Nc1cccc(-c2nc3cc([C@H](C)CC)ccc3o2)c1 ZINC000006240665 557695628 /nfs/dbraw/zinc/69/56/28/557695628.db2.gz OMZARZDPASBJHA-OAHLLOKOSA-N 0 0 409.555 6.012 40 0 HKABRN CCCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(OCC)cc3)nc2c1 ZINC000006240704 560740575 /nfs/dbraw/zinc/74/05/75/560740575.db2.gz IJXZTQSLZAEHGL-UHFFFAOYSA-N 0 0 411.527 5.287 40 0 HKABRN CCCCCC(=O)NC(=S)Nc1cccc(-c2nc3cc([C@@H](C)CC)ccc3o2)c1 ZINC000006240706 557695734 /nfs/dbraw/zinc/69/57/34/557695734.db2.gz LSAOSHZJCINJMO-INIZCTEOSA-N 0 0 423.582 6.402 40 0 HKABRN CCCCCC(=O)NC(=S)Nc1cccc(-c2nc3cc([C@H](C)CC)ccc3o2)c1 ZINC000006240710 557695667 /nfs/dbraw/zinc/69/56/67/557695667.db2.gz LSAOSHZJCINJMO-MRXNPFEDSA-N 0 0 423.582 6.402 40 0 HKABRN CCCCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2[C@@H](C)CC)cc1 ZINC000006240744 569330200 /nfs/dbraw/zinc/33/02/00/569330200.db2.gz LXBLWDPMISAGGM-SFHVURJKSA-N 0 0 412.599 6.286 40 0 HKABRN CCCCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2[C@H](C)CC)cc1 ZINC000006240747 569330225 /nfs/dbraw/zinc/33/02/25/569330225.db2.gz LXBLWDPMISAGGM-GOSISDBHSA-N 0 0 412.599 6.286 40 0 HKABRN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2Cl)CC1 ZINC000006241837 132309733 /nfs/dbraw/zinc/30/97/33/132309733.db2.gz GTXVLCJUIIOMIL-KPKJPENVSA-N 0 0 411.977 5.257 40 0 HKABRN O=C1N/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000006241898 557695756 /nfs/dbraw/zinc/69/57/56/557695756.db2.gz LHCHPWXNDSYWSZ-WOJGMQOQSA-N 0 0 413.260 5.346 40 0 HKABRN CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2Cl)CC1 ZINC000006241921 132309726 /nfs/dbraw/zinc/30/97/26/132309726.db2.gz JZIIYXKUESPWBX-UHFFFAOYSA-N 0 0 419.956 5.401 40 0 HKABRN Clc1cccc(Cl)c1CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000006242406 557695652 /nfs/dbraw/zinc/69/56/52/557695652.db2.gz MFUVDGAXQWNAIM-UHFFFAOYSA-N 0 0 412.341 7.608 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)C(C)(C)C)c3)nc2c1 ZINC000006242985 557695867 /nfs/dbraw/zinc/69/58/67/557695867.db2.gz DOBLPZMTCQKZPH-CQSZACIVSA-N 0 0 409.555 5.867 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)CC(C)C)c3)nc2c1 ZINC000006242998 557695850 /nfs/dbraw/zinc/69/58/50/557695850.db2.gz OAXYWIPEKUWLHB-OAHLLOKOSA-N 0 0 409.555 5.867 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccco4)c3)nc2c1 ZINC000006243002 557695890 /nfs/dbraw/zinc/69/58/90/557695890.db2.gz XENWYNMQPYEFTO-CQSZACIVSA-N 0 0 419.506 5.728 40 0 HKABRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)C=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006243005 569330179 /nfs/dbraw/zinc/33/01/79/569330179.db2.gz GGXCFAJDPNOGQA-YGNAEDSMSA-N 0 0 417.918 5.288 40 0 HKABRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)C=Cc1ccc(Cl)cc1Cl ZINC000006243016 569330169 /nfs/dbraw/zinc/33/01/69/569330169.db2.gz IQZCZCMBEYADPT-YGNAEDSMSA-N 0 0 407.366 6.033 40 0 HKABRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000006243028 569330141 /nfs/dbraw/zinc/33/01/41/569330141.db2.gz LGIZXINFAREGQA-CYBMUJFWSA-N 0 0 404.963 5.362 40 0 HKABRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)COc1ccc(Cl)cc1Cl ZINC000006243062 569330145 /nfs/dbraw/zinc/33/01/45/569330145.db2.gz QCNLDJYMBMKNEE-GFCCVEGCSA-N 0 0 411.354 5.399 40 0 HKABRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1sc2ccccc2c1Cl ZINC000006243078 557695927 /nfs/dbraw/zinc/69/59/27/557695927.db2.gz LDQFRFWWNWQQDU-GFCCVEGCSA-N 0 0 402.972 6.195 40 0 HKABRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000006243142 560740617 /nfs/dbraw/zinc/74/06/17/560740617.db2.gz CLIVKNVBHYHFLY-GOSISDBHSA-N 0 0 418.562 5.906 40 0 HKABRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000006243182 569330172 /nfs/dbraw/zinc/33/01/72/569330172.db2.gz PCLBIFUNWHXPSV-GOSISDBHSA-N 0 0 418.562 5.906 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)C(C)(C)C)c3)nc2c1 ZINC000006243310 557695863 /nfs/dbraw/zinc/69/58/63/557695863.db2.gz DOBLPZMTCQKZPH-AWEZNQCLSA-N 0 0 409.555 5.867 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)CC(C)C)c3)nc2c1 ZINC000006243321 557695834 /nfs/dbraw/zinc/69/58/34/557695834.db2.gz OAXYWIPEKUWLHB-HNNXBMFYSA-N 0 0 409.555 5.867 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccco4)c3)nc2c1 ZINC000006243325 557695854 /nfs/dbraw/zinc/69/58/54/557695854.db2.gz XENWYNMQPYEFTO-AWEZNQCLSA-N 0 0 419.506 5.728 40 0 HKABRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)C=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006243328 560740569 /nfs/dbraw/zinc/74/05/69/560740569.db2.gz GGXCFAJDPNOGQA-STRFDMGBSA-N 0 0 417.918 5.288 40 0 HKABRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)C=Cc1ccc(Cl)cc1Cl ZINC000006243340 569330219 /nfs/dbraw/zinc/33/02/19/569330219.db2.gz IQZCZCMBEYADPT-STRFDMGBSA-N 0 0 407.366 6.033 40 0 HKABRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000006243351 569330150 /nfs/dbraw/zinc/33/01/50/569330150.db2.gz LGIZXINFAREGQA-ZDUSSCGKSA-N 0 0 404.963 5.362 40 0 HKABRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)COc1ccc(Cl)cc1Cl ZINC000006243381 569330154 /nfs/dbraw/zinc/33/01/54/569330154.db2.gz QCNLDJYMBMKNEE-LBPRGKRZSA-N 0 0 411.354 5.399 40 0 HKABRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1sc2ccccc2c1Cl ZINC000006243395 557695846 /nfs/dbraw/zinc/69/58/46/557695846.db2.gz LDQFRFWWNWQQDU-LBPRGKRZSA-N 0 0 402.972 6.195 40 0 HKABRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000006243459 569330195 /nfs/dbraw/zinc/33/01/95/569330195.db2.gz CLIVKNVBHYHFLY-SFHVURJKSA-N 0 0 418.562 5.906 40 0 HKABRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000006243481 569330174 /nfs/dbraw/zinc/33/01/74/569330174.db2.gz PCLBIFUNWHXPSV-SFHVURJKSA-N 0 0 418.562 5.906 40 0 HKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)OCn1c(=O)sc2ccccc21 ZINC000006244157 559113046 /nfs/dbraw/zinc/11/30/46/559113046.db2.gz UDMAMCIIHCDRRB-UHFFFAOYSA-N 0 0 403.674 5.229 40 0 HKABRN Nc1ccc(S(=O)(=O)c2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)cc1 ZINC000006244653 557695857 /nfs/dbraw/zinc/69/58/57/557695857.db2.gz QNGKBSUKGVNHOT-UHFFFAOYSA-N 0 0 409.898 5.047 40 0 HKABRN CCCCCC(=O)NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000006245921 557696047 /nfs/dbraw/zinc/69/60/47/557696047.db2.gz IILBALAKGPVFSY-UHFFFAOYSA-N 0 0 417.534 6.041 40 0 HKABRN CCN1C(=O)/C(=C/c2cc(F)c(N3CCCC3)cc2C)SC1=Nc1ccccc1 ZINC000006246627 569330235 /nfs/dbraw/zinc/33/02/35/569330235.db2.gz FZWATVRSXKMZPW-XOLKAKTPSA-N 0 0 409.530 5.358 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc21 ZINC000006248910 560740585 /nfs/dbraw/zinc/74/05/85/560740585.db2.gz VQTUMYMGHDBPPF-UHFFFAOYSA-N 0 0 404.513 6.585 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)ccc21 ZINC000006248912 557696354 /nfs/dbraw/zinc/69/63/54/557696354.db2.gz MWFZRSUVRDIMEP-UHFFFAOYSA-N 0 0 406.913 6.264 40 0 HKABRN C[C@@H](CCc1ccccc1)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000006249567 557696326 /nfs/dbraw/zinc/69/63/26/557696326.db2.gz AMWWRAHEOJXXJL-SFHVURJKSA-N 0 0 414.936 6.306 40 0 HKABRN Fc1ccc(C2=Nc3ccc(F)cc3C(c3cccc(C(F)(F)F)c3)=NN2)cc1 ZINC000006251110 560630381 /nfs/dbraw/zinc/63/03/81/560630381.db2.gz XWWFFEOHMWWCSP-UHFFFAOYSA-N 0 0 401.338 5.418 40 0 HKABRN Fc1ccc(C2=Nc3ccc(F)cc3C(c3ccc(C(F)(F)F)cc3)=NN2)cc1 ZINC000006251320 560630404 /nfs/dbraw/zinc/63/04/04/560630404.db2.gz SZJRJOPRCFIESK-UHFFFAOYSA-N 0 0 401.338 5.418 40 0 HKABRN C[C@H](CCc1ccccc1)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000006252593 557696337 /nfs/dbraw/zinc/69/63/37/557696337.db2.gz AMWWRAHEOJXXJL-GOSISDBHSA-N 0 0 414.936 6.306 40 0 HKABRN Cc1cc(C)c(CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c(C)c1 ZINC000006255217 560740699 /nfs/dbraw/zinc/74/06/99/560740699.db2.gz ORWFENBZSVKEGZ-UHFFFAOYSA-N 0 0 418.587 6.766 40 0 HKABRN Cc1cc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c(C)c1 ZINC000006255230 557696596 /nfs/dbraw/zinc/69/65/96/557696596.db2.gz JEYGCTOAKNCEFY-UHFFFAOYSA-N 0 0 400.909 6.733 40 0 HKABRN Cc1cc(OCCn2cc(C(=O)COc3ccccc3)c3ccccc32)ccc1Cl ZINC000006255576 560740679 /nfs/dbraw/zinc/74/06/79/560740679.db2.gz YUJMFUUCHRBJAX-UHFFFAOYSA-N 0 0 419.908 5.944 40 0 HKABRN COc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 ZINC000006256188 569330156 /nfs/dbraw/zinc/33/01/56/569330156.db2.gz ZLWFKYGRYGXWGS-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc(C(C)(C)C)ccc3O)o2)cc1C ZINC000006256222 569330233 /nfs/dbraw/zinc/33/02/33/569330233.db2.gz NFOUBNJUWXEBPD-UHFFFAOYSA-N 0 0 422.550 5.693 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc4ccccc4c3)o2)cc1C ZINC000006256224 569330223 /nfs/dbraw/zinc/33/02/23/569330223.db2.gz VCKKXNGFPMUVOC-UHFFFAOYSA-N 0 0 400.503 5.843 40 0 HKABRN CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1CCCCCCC1 ZINC000006256624 569330176 /nfs/dbraw/zinc/33/01/76/569330176.db2.gz OHHHVRVQRDTYIW-VWLOTQADSA-N 0 0 420.597 5.188 40 0 HKABRN COc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 ZINC000006256697 569330243 /nfs/dbraw/zinc/33/02/43/569330243.db2.gz ITTSPWDVCRUKJT-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000006256997 560740634 /nfs/dbraw/zinc/74/06/34/560740634.db2.gz VURKSXHTDFUOHQ-LFIBNONCSA-N 0 0 412.558 6.416 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000006257781 560740683 /nfs/dbraw/zinc/74/06/83/560740683.db2.gz UVXRGGSWPKHZRS-BJMVGYQFSA-N 0 0 410.260 5.849 40 0 HKABRN FC(F)(F)c1cccc(NC(=S)N[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000006257919 557696417 /nfs/dbraw/zinc/69/64/17/557696417.db2.gz LKNVJVDRZXGIEQ-HXUWFJFHSA-N 0 0 400.469 5.976 40 0 HKABRN Fc1ccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccccc2)cc1 ZINC000006258043 569330184 /nfs/dbraw/zinc/33/01/84/569330184.db2.gz KOGOOAIAWXAGIB-UHFFFAOYSA-N 0 0 411.505 6.519 40 0 HKABRN O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000006258330 557696439 /nfs/dbraw/zinc/69/64/39/557696439.db2.gz CXTLPJNQOWDLHG-ZRDIBKRKSA-N 0 0 414.848 6.546 40 0 HKABRN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C(c1ccccc1)c1ccccc1 ZINC000006258366 560740672 /nfs/dbraw/zinc/74/06/72/560740672.db2.gz LCBAWSYXKUBPFI-UHFFFAOYSA-N 0 0 404.922 6.234 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000006258370 560740697 /nfs/dbraw/zinc/74/06/97/560740697.db2.gz GPWCAGLVCDIXNU-UHFFFAOYSA-N 0 0 407.322 5.913 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1Cl ZINC000006260087 560740668 /nfs/dbraw/zinc/74/06/68/560740668.db2.gz QSMJLTQKNYJPIS-QHHAFSJGSA-N 0 0 405.506 6.061 40 0 HKABRN O=C(Nc1ccc(Br)cc1Cl)C(c1ccccc1)c1ccccc1 ZINC000006260115 560740693 /nfs/dbraw/zinc/74/06/93/560740693.db2.gz HISHEBRERWHBQG-UHFFFAOYSA-N 0 0 400.703 5.873 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1Cl ZINC000006260121 557696472 /nfs/dbraw/zinc/69/64/72/557696472.db2.gz XOKDVPRFNTXOOH-UHFFFAOYSA-N 0 0 403.103 5.552 40 0 HKABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4)cc3)CC2=O)cc1 ZINC000006261117 569330278 /nfs/dbraw/zinc/33/02/78/569330278.db2.gz YYLZARXZYZTVON-LJQANCHMSA-N 0 0 400.478 5.087 40 0 HKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4)cc3)CC2=O)cc1 ZINC000006261118 569330274 /nfs/dbraw/zinc/33/02/74/569330274.db2.gz YYLZARXZYZTVON-IBGZPJMESA-N 0 0 400.478 5.087 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1OCC ZINC000006261124 569330286 /nfs/dbraw/zinc/33/02/86/569330286.db2.gz KOIYFCLPKMNSHT-UHFFFAOYSA-N 0 0 405.494 6.227 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4C)C3)cc2)c1 ZINC000006261130 569330305 /nfs/dbraw/zinc/33/03/05/569330305.db2.gz NNCNRHNRWQACSZ-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)cc2)c1 ZINC000006261131 569330297 /nfs/dbraw/zinc/33/02/97/569330297.db2.gz NNCNRHNRWQACSZ-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN O=C(NCCCCCCCCCCCCNC(=O)C1CCCCC1)C1CCCCC1 ZINC000006261853 557696556 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CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\Sc2ccccc2C1=O ZINC000006355395 569331486 /nfs/dbraw/zinc/33/14/86/569331486.db2.gz AXILJKJVTXOTBX-MXAYSNPKSA-N 0 0 416.586 6.883 40 0 HKABRN CCOc1ccc(C(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1Cl ZINC000006355425 557699868 /nfs/dbraw/zinc/69/98/68/557699868.db2.gz HTAVMDOZJJHASR-UHFFFAOYSA-N 0 0 401.702 5.908 40 0 HKABRN CCOc1cccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)c1 ZINC000006355708 557699860 /nfs/dbraw/zinc/69/98/60/557699860.db2.gz QLIMYMGKUGXJTQ-UHFFFAOYSA-N 0 0 408.457 6.299 40 0 HKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)cc1 ZINC000006355897 557700101 /nfs/dbraw/zinc/70/01/01/557700101.db2.gz ZERMJGRKZVCGEW-MRXNPFEDSA-N 0 0 422.481 5.072 40 0 HKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1 ZINC000006355898 557700080 /nfs/dbraw/zinc/70/00/80/557700080.db2.gz VRQNVUGVPMWPPO-LLVKDONJSA-N 0 0 409.338 6.134 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 ZINC000006355900 560741288 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ZINC000006386530 569331880 /nfs/dbraw/zinc/33/18/80/569331880.db2.gz XXGKKARNERALKL-UHFFFAOYSA-N 0 0 411.571 5.240 40 0 HKABRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc3ccccc3c2)c1 ZINC000006386546 560742614 /nfs/dbraw/zinc/74/26/14/560742614.db2.gz YPTAGPAITRACRI-UHFFFAOYSA-N 0 0 405.523 5.095 40 0 HKABRN CCOC(=O)c1ccc(COC(=O)c2ccc(COc3ccc(C)cc3)cc2)cc1 ZINC000006386834 569331904 /nfs/dbraw/zinc/33/19/04/569331904.db2.gz IPOINRZEEOQTOB-UHFFFAOYSA-N 0 0 404.462 5.108 40 0 HKABRN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c1 ZINC000006387850 569331850 /nfs/dbraw/zinc/33/18/50/569331850.db2.gz ICKOSABKHNWMHO-CQSZACIVSA-N 0 0 422.550 5.909 40 0 HKABRN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c1 ZINC000006387934 569331862 /nfs/dbraw/zinc/33/18/62/569331862.db2.gz ICKOSABKHNWMHO-AWEZNQCLSA-N 0 0 422.550 5.909 40 0 HKABRN CC(C)=C1[C@@H]2CC[C@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(CC(C)C)cc4)cs3)C(=O)[C@H]21 ZINC000006388289 560735658 /nfs/dbraw/zinc/73/56/58/560735658.db2.gz 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5.895 40 0 HKABRN Cc1ccc(NC(=O)Cn2cc(C(=O)C3CCCCC3)c3ccccc32)cc1Cl ZINC000006390967 569331949 /nfs/dbraw/zinc/33/19/49/569331949.db2.gz JVYVRKZVJCBKMQ-UHFFFAOYSA-N 0 0 408.929 6.005 40 0 HKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1 ZINC000006391671 560742579 /nfs/dbraw/zinc/74/25/79/560742579.db2.gz SZKUYTMBLGOUSF-QGZVFWFLSA-N 0 0 413.521 6.069 40 0 HKABRN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000006392110 569331999 /nfs/dbraw/zinc/33/19/99/569331999.db2.gz MFZISJJQUIAVCE-UHFFFAOYSA-N 0 0 415.320 6.496 40 0 HKABRN Nc1c(Br)cc(-c2nc3cc(Cl)ccc3o2)cc1Br ZINC000006392440 558559743 /nfs/dbraw/zinc/55/97/43/558559743.db2.gz IJNBADKYJOFURJ-UHFFFAOYSA-N 0 0 402.473 5.255 40 0 HKABRN O=C(COc1ccccc1)c1cn(CCOc2cccc3ccccc32)c2ccccc12 ZINC000006393081 560742627 /nfs/dbraw/zinc/74/26/27/560742627.db2.gz NVBHOIXMPXZZFD-UHFFFAOYSA-N 0 0 421.496 6.135 40 0 HKABRN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Sc1nc(-c3cccs3)cc(C(F)(F)F)n1)C2=O ZINC000006393305 560737160 /nfs/dbraw/zinc/73/71/60/560737160.db2.gz COOAKWGUDOUYCP-TZOQJCELSA-N 0 0 412.502 5.710 40 0 HKABRN CC1(C)[C@H]2CC[C@]1(C)[C@H](Sc1nc(-c3cccs3)cc(C(F)(F)F)n1)C2=O ZINC000006393480 560737146 /nfs/dbraw/zinc/73/71/46/560737146.db2.gz COOAKWGUDOUYCP-WQFPPAFTSA-N 0 0 412.502 5.710 40 0 HKABRN CC[C@@H](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)C(C)C ZINC000006393492 557701164 /nfs/dbraw/zinc/70/11/64/557701164.db2.gz KZJWDPNRJALLNS-FBZNIEFRSA-N 0 0 414.718 8.025 40 0 endogenous,in-man HKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1 ZINC000006395265 560742607 /nfs/dbraw/zinc/74/26/07/560742607.db2.gz SZKUYTMBLGOUSF-KRWDZBQOSA-N 0 0 413.521 6.069 40 0 HKABRN CC1CCN(C(=S)c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)CC1 ZINC000006395782 557701176 /nfs/dbraw/zinc/70/11/76/557701176.db2.gz SXLNIAXFPYBTHY-UHFFFAOYSA-N 0 0 412.357 6.119 40 0 HKABRN CCCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000006396846 569331954 /nfs/dbraw/zinc/33/19/54/569331954.db2.gz VVMJELZTWQRYLU-PKNBQFBNSA-N 0 0 401.850 5.029 40 0 HKABRN CCCCCCOc1ccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000006397166 560742602 /nfs/dbraw/zinc/74/26/02/560742602.db2.gz HQQUCVUGQSAVCS-UHFFFAOYSA-N 0 0 414.615 5.219 40 0 HKABRN CCCCN(CCCC)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000006397464 557701413 /nfs/dbraw/zinc/70/14/13/557701413.db2.gz CWVPNYXYMRQKHT-UHFFFAOYSA-N 0 0 422.594 6.530 40 0 HKABRN CCCCc1ccc2nc(NC(=O)c3cc(Cl)cc(Cl)c3OC)sc2c1 ZINC000006398113 557701402 /nfs/dbraw/zinc/70/14/02/557701402.db2.gz JNFRJTBWFUJEMD-UHFFFAOYSA-N 0 0 409.338 6.207 40 0 HKABRN CCCCc1ccc2nc(NC(=O)c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000006398130 557701353 /nfs/dbraw/zinc/70/13/53/557701353.db2.gz SWEPIAAOGBKZCJ-UHFFFAOYSA-N 0 0 416.546 6.470 40 0 HKABRN O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000006400967 557701389 /nfs/dbraw/zinc/70/13/89/557701389.db2.gz RXAJQQAJKQCNMX-UHFFFAOYSA-N 0 0 411.954 6.430 40 0 HKABRN CCc1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1 ZINC000006406018 557701614 /nfs/dbraw/zinc/70/16/14/557701614.db2.gz UJLANLVZVJKUKM-UHFFFAOYSA-N 0 0 410.311 5.843 40 0 HKABRN Cc1ccc2cc(CN(C(=S)NC3CCCCC3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000006409486 557701512 /nfs/dbraw/zinc/70/15/12/557701512.db2.gz MEZIBDDMLYZDEN-UHFFFAOYSA-N 0 0 411.615 5.178 40 0 HKABRN COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000006414256 569331946 /nfs/dbraw/zinc/33/19/46/569331946.db2.gz SVNHBSJKFBONRV-XDHOZWIPSA-N 0 0 406.419 5.120 40 0 HKABRN FC(F)(F)c1cc(-c2ccccc2)nc(SC[C@H]2COc3ccccc3O2)n1 ZINC000006414278 557701742 /nfs/dbraw/zinc/70/17/42/557701742.db2.gz HLXHAPWEZGAYCZ-CQSZACIVSA-N 0 0 404.413 5.095 40 0 HKABRN Clc1ccc(-c2csc3ncnc(SCc4nc5ccccc5[nH]4)c23)cc1 ZINC000006414346 557701723 /nfs/dbraw/zinc/70/17/23/557701723.db2.gz FNVHPYCCJKFDPJ-UHFFFAOYSA-N 0 0 408.939 6.180 40 0 HKABRN Cc1c(/C=C2/Sc3ccccc3C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000006414898 569331955 /nfs/dbraw/zinc/33/19/55/569331955.db2.gz XDVSEZTUYSDLLB-AFUMVMLFSA-N 0 0 406.510 6.199 40 0 HKABRN Cc1c(/C=C2/Sc3ccccc3C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000006414900 569331965 /nfs/dbraw/zinc/33/19/65/569331965.db2.gz SJIXEWWJJLAVHV-ZVHZXABRSA-N 0 0 415.945 6.981 40 0 HKABRN Cc1cc(/C=C2/Sc3ccccc3C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000006414950 569331941 /nfs/dbraw/zinc/33/19/41/569331941.db2.gz HXDLRVSNPXPLHX-KEBDBYFISA-N 0 0 400.330 6.730 40 0 HKABRN Cc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000006414958 569331947 /nfs/dbraw/zinc/33/19/47/569331947.db2.gz KAUZVVVDHFHGTN-RCCKNPSSSA-N 0 0 403.913 5.013 40 0 HKABRN CCCCCC(=O)Nc1cc2nn(-c3ccc(N(CC)CC)cc3C)nc2cc1C ZINC000006417574 560742004 /nfs/dbraw/zinc/74/20/04/560742004.db2.gz HOFJNITUAMPVCP-UHFFFAOYSA-N 0 0 407.562 5.402 40 0 HKABRN CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000006418488 560742166 /nfs/dbraw/zinc/74/21/66/560742166.db2.gz MOQKXEDXIVZOGN-UHFFFAOYSA-N 0 0 404.510 5.332 40 0 HKABRN CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000006418491 569332117 /nfs/dbraw/zinc/33/21/17/569332117.db2.gz WHSWHDBIMLOSSW-UHFFFAOYSA-N 0 0 424.928 5.677 40 0 HKABRN CCOc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccccc2)cc1 ZINC000006418633 557701853 /nfs/dbraw/zinc/70/18/53/557701853.db2.gz PJIXDSRWAVEJMR-UHFFFAOYSA-N 0 0 415.518 5.308 40 0 HKABRN COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)Nc1ccccc1Cl ZINC000006418752 557701825 /nfs/dbraw/zinc/70/18/25/557701825.db2.gz KKGJMDYIJDQEGP-UHFFFAOYSA-N 0 0 409.873 5.553 40 0 HKABRN CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 ZINC000006418841 569332111 /nfs/dbraw/zinc/33/21/11/569332111.db2.gz DHUSLZFYICINQX-OAHLLOKOSA-N 0 0 406.551 6.204 40 0 HKABRN CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 ZINC000006418893 569332098 /nfs/dbraw/zinc/33/20/98/569332098.db2.gz DHUSLZFYICINQX-HNNXBMFYSA-N 0 0 406.551 6.204 40 0 HKABRN Cc1cc2sc(NC(=O)c3cccc4c(Br)cccc34)nc2c(C)c1 ZINC000006418964 560742171 /nfs/dbraw/zinc/74/21/71/560742171.db2.gz BGYATGIVEXTRKQ-UHFFFAOYSA-N 0 0 411.324 6.081 40 0 HKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 ZINC000006418992 569332075 /nfs/dbraw/zinc/33/20/75/569332075.db2.gz ITROTTNFBRUDNB-UHFFFAOYSA-N 0 0 422.956 6.149 40 0 HKABRN Cc1cc(C)cc(N(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000006419010 569332090 /nfs/dbraw/zinc/33/20/90/569332090.db2.gz JNWMJMTZKZKXIB-UHFFFAOYSA-N 0 0 403.906 5.491 40 0 HKABRN CCc1ccccc1NC(=O)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000006419358 569332068 /nfs/dbraw/zinc/33/20/68/569332068.db2.gz NSWVJYXDJIFFAV-UHFFFAOYSA-N 0 0 410.311 5.843 40 0 HKABRN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(Br)cc1 ZINC000006420787 560742191 /nfs/dbraw/zinc/74/21/91/560742191.db2.gz CAUXDRAKRYYJMJ-UHFFFAOYSA-N 0 0 406.283 5.553 40 0 HKABRN Cc1ccc(-n2c(SCC(=O)N[C@@H]3CCCC[C@@H]3C)nnc2-c2ccccc2)cc1 ZINC000006421361 569332122 /nfs/dbraw/zinc/33/21/22/569332122.db2.gz NBBONYKZHSZVFW-GHTZIAJQSA-N 0 0 420.582 5.030 40 0 HKABRN Cc1ccc(-n2c(SCC(=O)N[C@@H]3CCCC[C@H]3C)nnc2-c2ccccc2)cc1 ZINC000006421364 569332121 /nfs/dbraw/zinc/33/21/21/569332121.db2.gz NBBONYKZHSZVFW-WIYYLYMNSA-N 0 0 420.582 5.030 40 0 HKABRN Cc1ccc(-n2c(SCC(=O)N[C@H]3CCCC[C@@H]3C)nnc2-c2ccccc2)cc1 ZINC000006421367 569332060 /nfs/dbraw/zinc/33/20/60/569332060.db2.gz NBBONYKZHSZVFW-RXVVDRJESA-N 0 0 420.582 5.030 40 0 HKABRN Cc1ccc(-n2c(SCC(=O)N[C@H]3CCCC[C@H]3C)nnc2-c2ccccc2)cc1 ZINC000006421371 560742207 /nfs/dbraw/zinc/74/22/07/560742207.db2.gz NBBONYKZHSZVFW-NQIIRXRSSA-N 0 0 420.582 5.030 40 0 HKABRN Cc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1C ZINC000006421514 560742196 /nfs/dbraw/zinc/74/21/96/560742196.db2.gz AGXYSXAZJVWCGI-UHFFFAOYSA-N 0 0 405.954 6.497 40 0 HKABRN Cc1cccc(-c2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2-c2ccccc2)c1 ZINC000006422334 569332119 /nfs/dbraw/zinc/33/21/19/569332119.db2.gz ZQQWGYWVIRRUAT-GHTZIAJQSA-N 0 0 420.582 5.030 40 0 HKABRN Cc1cccc(-c2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)n2-c2ccccc2)c1 ZINC000006422336 569332074 /nfs/dbraw/zinc/33/20/74/569332074.db2.gz ZQQWGYWVIRRUAT-WIYYLYMNSA-N 0 0 420.582 5.030 40 0 HKABRN Cc1cccc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n2-c2ccccc2)c1 ZINC000006422338 569332078 /nfs/dbraw/zinc/33/20/78/569332078.db2.gz ZQQWGYWVIRRUAT-RXVVDRJESA-N 0 0 420.582 5.030 40 0 HKABRN Cc1cccc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2-c2ccccc2)c1 ZINC000006422340 569332083 /nfs/dbraw/zinc/33/20/83/569332083.db2.gz ZQQWGYWVIRRUAT-NQIIRXRSSA-N 0 0 420.582 5.030 40 0 HKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2-c2ccccc2)c1 ZINC000006422342 569332092 /nfs/dbraw/zinc/33/20/92/569332092.db2.gz ZRDIWJUGSNRIGB-UHFFFAOYSA-N 0 0 418.497 5.113 40 0 HKABRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2-c2ccccc2)c1 ZINC000006422344 569332062 /nfs/dbraw/zinc/33/20/62/569332062.db2.gz HHJGYPYDQSWXTN-UHFFFAOYSA-N 0 0 418.497 5.113 40 0 HKABRN O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(-c2ccccc2)cc1 ZINC000006423209 132311084 /nfs/dbraw/zinc/31/10/84/132311084.db2.gz YAUHYTGJIDGFKK-UHFFFAOYSA-N 0 0 415.518 5.052 40 0 HKABRN O=C1c2ccccc2S/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000006423350 569332088 /nfs/dbraw/zinc/33/20/88/569332088.db2.gz PXGDYMLUCDVADH-YDZHTSKRSA-N 0 0 412.470 5.927 40 0 HKABRN O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)Nc1cccc2ccccc21 ZINC000006423384 560742202 /nfs/dbraw/zinc/74/22/02/560742202.db2.gz DNBGZZXQQPKUHO-UHFFFAOYSA-N 0 0 410.517 6.196 40 0 HKABRN O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)Nc1ccc2ccccc2c1 ZINC000006423399 560742177 /nfs/dbraw/zinc/74/21/77/560742177.db2.gz WQCYVDDGMXOJCZ-UHFFFAOYSA-N 0 0 410.517 6.196 40 0 HKABRN O=C(Nc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000006424158 557702020 /nfs/dbraw/zinc/70/20/20/557702020.db2.gz WGDPGTZDVBAERO-UHFFFAOYSA-N 0 0 410.260 5.284 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)/C=C/c4ccc(C(C)C)cc4)ccc3o2)c1 ZINC000006424858 560742188 /nfs/dbraw/zinc/74/21/88/560742188.db2.gz MLBGYLOHAWKURK-KPKJPENVSA-N 0 0 410.517 6.887 40 0 HKABRN COc1ccc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1Cl ZINC000006424861 560742159 /nfs/dbraw/zinc/74/21/59/560742159.db2.gz KNVLXCXWHVBULB-UHFFFAOYSA-N 0 0 406.869 6.026 40 0 HKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccccc1OC ZINC000006425825 560742151 /nfs/dbraw/zinc/74/21/51/560742151.db2.gz PRBFOEAZFXSEQX-UHFFFAOYSA-N 0 0 402.450 5.381 40 0 HKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cc2ccccc2o1 ZINC000006425836 560742206 /nfs/dbraw/zinc/74/22/06/560742206.db2.gz OPMXHBXMPSKGHT-UHFFFAOYSA-N 0 0 410.477 5.851 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(C(C)C)cc4)ccc3o2)c(C)c1 ZINC000006426240 560742193 /nfs/dbraw/zinc/74/21/93/560742193.db2.gz UBARIFGCZQTISF-UHFFFAOYSA-N 0 0 414.505 6.253 40 0 HKABRN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000006426363 560742200 /nfs/dbraw/zinc/74/22/00/560742200.db2.gz IFGOIZPBJXAWEI-SANMLTNESA-N 0 0 420.512 5.333 40 0 HKABRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000006426379 569332106 /nfs/dbraw/zinc/33/21/06/569332106.db2.gz IFGOIZPBJXAWEI-AREMUKBSSA-N 0 0 420.512 5.333 40 0 HKABRN Cc1ccc(COc2c(Cl)cc(CNc3cccc(Cl)c3)cc2Cl)cc1 ZINC000006426698 569332101 /nfs/dbraw/zinc/33/21/01/569332101.db2.gz MCYXVDUSBHOFDB-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1ccc(N(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006426748 569332108 /nfs/dbraw/zinc/33/21/08/569332108.db2.gz YMJUHRMDPJMLAY-UHFFFAOYSA-N 0 0 403.906 5.491 40 0 HKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 ZINC000006426890 569332069 /nfs/dbraw/zinc/33/20/69/569332069.db2.gz GCKWLWLISVJRSX-UHFFFAOYSA-N 0 0 406.334 5.697 40 0 HKABRN CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000006429277 569332199 /nfs/dbraw/zinc/33/21/99/569332199.db2.gz WKUIYKJZVJBSSX-HKWRFOASSA-N 0 0 413.564 5.670 40 0 HKABRN O=C(NCc1ccccc1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000006433045 557702199 /nfs/dbraw/zinc/70/21/99/557702199.db2.gz YRFNURYMPYRONG-UHFFFAOYSA-N 0 0 407.300 6.139 40 0 HKABRN O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000006434792 557702300 /nfs/dbraw/zinc/70/23/00/557702300.db2.gz FADYHGONRWQJMR-UHFFFAOYSA-N 0 0 408.272 6.523 40 0 HKABRN CCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)C1=O ZINC000006438614 557702208 /nfs/dbraw/zinc/70/22/08/557702208.db2.gz RDYGTLDXUZOADN-ZSOIEALJSA-N 0 0 401.793 5.675 40 0 HKABRN Cc1ccc(N(C)C(=O)c2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1C ZINC000006438926 569332213 /nfs/dbraw/zinc/33/22/13/569332213.db2.gz OHBFKRGDAGFKKF-UHFFFAOYSA-N 0 0 421.504 5.513 40 0 HKABRN CCOc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1Cl ZINC000006439743 560742209 /nfs/dbraw/zinc/74/22/09/560742209.db2.gz RGTOQKXAVVBRNO-UHFFFAOYSA-N 0 0 408.910 6.268 40 0 HKABRN CCOc1ccc(C(=O)Nc2nc(-c3cccc4ccccc43)cs2)cc1Cl ZINC000006439744 560742281 /nfs/dbraw/zinc/74/22/81/560742281.db2.gz AEAAHFNDGUNDOE-UHFFFAOYSA-N 0 0 408.910 6.268 40 0 HKABRN CC[C@@H](C)c1ccc(OCC(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000006440183 560742213 /nfs/dbraw/zinc/74/22/13/560742213.db2.gz OKSXUXLJZWJFQT-GOSISDBHSA-N 0 0 414.505 5.704 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)C(Cl)(Cl)Cl)c3)nc2c1 ZINC000006440205 557702445 /nfs/dbraw/zinc/70/24/45/557702445.db2.gz IPSCZNUZRASUFO-LLVKDONJSA-N 0 0 411.716 6.317 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(C)cc4)c3)nc2c1 ZINC000006440208 557702398 /nfs/dbraw/zinc/70/23/98/557702398.db2.gz BXHQPFVUECYBSX-GOSISDBHSA-N 0 0 414.505 6.334 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4cccc(C)c4)c3)nc2c1 ZINC000006440209 557702418 /nfs/dbraw/zinc/70/24/18/557702418.db2.gz CZTGXPSMZCYZNR-GOSISDBHSA-N 0 0 414.505 6.334 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccccc4)c3)nc2c1 ZINC000006440210 557702405 /nfs/dbraw/zinc/70/24/05/557702405.db2.gz BQMFQZMICHNDCS-QGZVFWFLSA-N 0 0 400.478 6.026 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccccc4C)c3)nc2c1 ZINC000006440212 557702447 /nfs/dbraw/zinc/70/24/47/557702447.db2.gz DOZWLOMIFWQBHZ-QGZVFWFLSA-N 0 0 414.505 6.334 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc5ccccc5o4)c3)nc2c1 ZINC000006440214 557702432 /nfs/dbraw/zinc/70/24/32/557702432.db2.gz WJLIYAZLRWDUMB-MRXNPFEDSA-N 0 0 410.473 7.007 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C)c(Cl)c4)c3)nc2c1 ZINC000006440216 557702451 /nfs/dbraw/zinc/70/24/51/557702451.db2.gz RKNLEDVISUURSK-OAHLLOKOSA-N 0 0 418.924 7.222 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)nc2c1 ZINC000006440218 557702427 /nfs/dbraw/zinc/70/24/27/557702427.db2.gz KEEKAGRTKOTZGT-OAHLLOKOSA-N 0 0 404.897 6.914 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1 ZINC000006440219 557702416 /nfs/dbraw/zinc/70/24/16/557702416.db2.gz AVOUCGRFAZZRHF-QGZVFWFLSA-N 0 0 414.505 6.659 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C)cc4Cl)c3)nc2c1 ZINC000006440221 557702458 /nfs/dbraw/zinc/70/24/58/557702458.db2.gz UYHTZGMZHPGAPN-MRXNPFEDSA-N 0 0 418.924 7.222 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3)nc2c1 ZINC000006440222 557702415 /nfs/dbraw/zinc/70/24/15/557702415.db2.gz UZXMSGCQGHNIJR-GOSISDBHSA-N 0 0 420.512 7.414 40 0 HKABRN CCOc1cccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)c1 ZINC000006440224 557702413 /nfs/dbraw/zinc/70/24/13/557702413.db2.gz BHNVIGHEDRBGST-QGZVFWFLSA-N 0 0 414.505 6.659 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc5ccccc54)c3)nc2c1 ZINC000006440226 557702459 /nfs/dbraw/zinc/70/24/59/557702459.db2.gz WSHJKMHURAOHFA-GOSISDBHSA-N 0 0 420.512 7.414 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4Cl)c3)nc2c1 ZINC000006440229 557702442 /nfs/dbraw/zinc/70/24/42/557702442.db2.gz WQOWOVHTQBXQER-OAHLLOKOSA-N 0 0 404.897 6.914 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4OC)c3)nc2c1 ZINC000006440230 557702435 /nfs/dbraw/zinc/70/24/35/557702435.db2.gz PRFMIRJZWCSQOU-MRXNPFEDSA-N 0 0 400.478 6.269 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccnc4Cl)c3)nc2c1 ZINC000006440232 557702410 /nfs/dbraw/zinc/70/24/10/557702410.db2.gz XIGKGOVLULWRHB-CQSZACIVSA-N 0 0 405.885 6.309 40 0 HKABRN COC(=O)c1cc(NC(=O)c2ccc(CSc3ccccc3)cc2)ccc1Cl ZINC000006440980 569332241 /nfs/dbraw/zinc/33/22/41/569332241.db2.gz DXKGVXZNDYQAFD-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/33/24/15/569332415.db2.gz CBCZTQXZFLBWRO-MSXFZWOLSA-N 0 0 402.559 6.493 40 0 HKABRN COc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1OC ZINC000006441727 560742265 /nfs/dbraw/zinc/74/22/65/560742265.db2.gz CXYMKVNSBUIAJD-UHFFFAOYSA-N 0 0 407.249 5.628 40 0 HKABRN Cc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)n2-c2ccccc2)c1 ZINC000006442770 560631477 /nfs/dbraw/zinc/63/14/77/560631477.db2.gz GVFMECQGPWAAII-UHFFFAOYSA-N 0 0 419.937 5.871 40 0 HKABRN O=C(CSc1nc(-c2ccc(Br)cc2)c[nH]1)Nc1cccc(Cl)c1 ZINC000006445283 560630562 /nfs/dbraw/zinc/63/05/62/560630562.db2.gz BLDZCHOWMYXMFW-UHFFFAOYSA-N 0 0 422.735 5.223 40 0 HKABRN Brc1ccccc1-c1nnc(SCc2ccccc2)n1-c1ccccc1 ZINC000006446330 560630669 /nfs/dbraw/zinc/63/06/69/560630669.db2.gz KJIOPARWMRCVDE-UHFFFAOYSA-N 0 0 422.351 5.989 40 0 HKABRN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2ccccc2)cc1 ZINC000006446839 560630660 /nfs/dbraw/zinc/63/06/60/560630660.db2.gz KGWSYIJCEBCYOB-UHFFFAOYSA-N 0 0 423.903 6.803 40 0 HKABRN O=C(CSc1ncc(-c2ccccc2)n1C(=O)C1CCCCC1)Nc1ccccc1 ZINC000006446851 560630721 /nfs/dbraw/zinc/63/07/21/560630721.db2.gz KNRMPHWQFXWEBK-UHFFFAOYSA-N 0 0 419.550 5.501 40 0 HKABRN O=c1[nH]c2ccccc2nc1CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000006448827 557702795 /nfs/dbraw/zinc/70/27/95/557702795.db2.gz YWIQIGYDQVNUHZ-UHFFFAOYSA-N 0 0 410.502 5.273 40 0 HKABRN CC[C@H](C)c1ccc(OCC(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000006449707 560742236 /nfs/dbraw/zinc/74/22/36/560742236.db2.gz OKSXUXLJZWJFQT-SFHVURJKSA-N 0 0 414.505 5.704 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)C(Cl)(Cl)Cl)c3)nc2c1 ZINC000006449726 557702825 /nfs/dbraw/zinc/70/28/25/557702825.db2.gz IPSCZNUZRASUFO-NSHDSACASA-N 0 0 411.716 6.317 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(C)cc4)c3)nc2c1 ZINC000006449732 557702814 /nfs/dbraw/zinc/70/28/14/557702814.db2.gz BXHQPFVUECYBSX-SFHVURJKSA-N 0 0 414.505 6.334 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4cccc(C)c4)c3)nc2c1 ZINC000006449734 557703158 /nfs/dbraw/zinc/70/31/58/557703158.db2.gz CZTGXPSMZCYZNR-SFHVURJKSA-N 0 0 414.505 6.334 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccccc4)c3)nc2c1 ZINC000006449735 557703153 /nfs/dbraw/zinc/70/31/53/557703153.db2.gz BQMFQZMICHNDCS-KRWDZBQOSA-N 0 0 400.478 6.026 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccccc4C)c3)nc2c1 ZINC000006449736 557703183 /nfs/dbraw/zinc/70/31/83/557703183.db2.gz DOZWLOMIFWQBHZ-KRWDZBQOSA-N 0 0 414.505 6.334 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc5ccccc5o4)c3)nc2c1 ZINC000006449739 557703172 /nfs/dbraw/zinc/70/31/72/557703172.db2.gz WJLIYAZLRWDUMB-INIZCTEOSA-N 0 0 410.473 7.007 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C)c(Cl)c4)c3)nc2c1 ZINC000006449741 557703173 /nfs/dbraw/zinc/70/31/73/557703173.db2.gz RKNLEDVISUURSK-HNNXBMFYSA-N 0 0 418.924 7.222 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)nc2c1 ZINC000006449743 557703176 /nfs/dbraw/zinc/70/31/76/557703176.db2.gz KEEKAGRTKOTZGT-HNNXBMFYSA-N 0 0 404.897 6.914 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1 ZINC000006449744 557703120 /nfs/dbraw/zinc/70/31/20/557703120.db2.gz AVOUCGRFAZZRHF-KRWDZBQOSA-N 0 0 414.505 6.659 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C)cc4Cl)c3)nc2c1 ZINC000006449746 557703115 /nfs/dbraw/zinc/70/31/15/557703115.db2.gz UYHTZGMZHPGAPN-INIZCTEOSA-N 0 0 418.924 7.222 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3)nc2c1 ZINC000006449748 557703100 /nfs/dbraw/zinc/70/31/00/557703100.db2.gz UZXMSGCQGHNIJR-SFHVURJKSA-N 0 0 420.512 7.414 40 0 HKABRN CCOc1cccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)c1 ZINC000006449752 557703162 /nfs/dbraw/zinc/70/31/62/557703162.db2.gz BHNVIGHEDRBGST-KRWDZBQOSA-N 0 0 414.505 6.659 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc5ccccc54)c3)nc2c1 ZINC000006449755 557703191 /nfs/dbraw/zinc/70/31/91/557703191.db2.gz WSHJKMHURAOHFA-SFHVURJKSA-N 0 0 420.512 7.414 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4Cl)c3)nc2c1 ZINC000006449761 557703110 /nfs/dbraw/zinc/70/31/10/557703110.db2.gz WQOWOVHTQBXQER-HNNXBMFYSA-N 0 0 404.897 6.914 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4OC)c3)nc2c1 ZINC000006449763 557703104 /nfs/dbraw/zinc/70/31/04/557703104.db2.gz PRFMIRJZWCSQOU-INIZCTEOSA-N 0 0 400.478 6.269 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccnc4Cl)c3)nc2c1 ZINC000006449766 557703150 /nfs/dbraw/zinc/70/31/50/557703150.db2.gz XIGKGOVLULWRHB-AWEZNQCLSA-N 0 0 405.885 6.309 40 0 HKABRN Cc1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)sc2c1 ZINC000006450456 560742231 /nfs/dbraw/zinc/74/22/31/560742231.db2.gz WKQINXIXCCCIBQ-JXMROGBWSA-N 0 0 408.910 6.478 40 0 HKABRN Cc1cccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3o2)c1 ZINC000006450972 560742250 /nfs/dbraw/zinc/74/22/50/560742250.db2.gz BBELJIQUBSVWJX-UHFFFAOYSA-N 0 0 420.896 6.253 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000006451064 569332551 /nfs/dbraw/zinc/33/25/51/569332551.db2.gz UHQDSXRUFCTFPZ-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN COc1cccc(/C=C2\Sc3ccccc3C2=O)c1OCc1ccc(Cl)cc1 ZINC000006452338 569332487 /nfs/dbraw/zinc/33/24/87/569332487.db2.gz XIYXOSUEZILEIJ-BKUYFWCQSA-N 0 0 408.906 6.257 40 0 HKABRN COc1ccccc1NC(=O)COc1ccc(/C=C2/Sc3ccccc3C2=O)cc1 ZINC000006453418 569332544 /nfs/dbraw/zinc/33/25/44/569332544.db2.gz VKNQGPJNDWWLMS-HYARGMPZSA-N 0 0 417.486 5.042 40 0 HKABRN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000006454422 569332574 /nfs/dbraw/zinc/33/25/74/569332574.db2.gz CXMIOHQZKLGUFM-VIFPVBQESA-N 0 0 405.144 5.875 40 0 HKABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000006455516 559205440 /nfs/dbraw/zinc/20/54/40/559205440.db2.gz CXMIOHQZKLGUFM-SECBINFHSA-N 0 0 405.144 5.875 40 0 HKABRN COc1ccc(-c2cc(C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)c(C)o2)cc1OC ZINC000006455924 569332581 /nfs/dbraw/zinc/33/25/81/569332581.db2.gz BEBOAUYPCJXIIL-KRGUIMPISA-N 0 0 423.553 5.607 40 0 HKABRN COc1ccccc1/C=C1/SC(=O)N(CNc2ccc(Cl)c(Cl)c2)C1=O ZINC000006458233 560742427 /nfs/dbraw/zinc/74/24/27/560742427.db2.gz LMJRWKZAVYOADE-LZYBPNLTSA-N 0 0 409.294 5.108 40 0 HKABRN CCN(C(=O)Nc1cccc2ccccc21)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000006462965 557703850 /nfs/dbraw/zinc/70/38/50/557703850.db2.gz IQRDNGUOSALAAG-INIZCTEOSA-N 0 0 400.444 6.344 40 0 HKABRN CCN(C(=O)Nc1cccc2ccccc21)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000006462974 557703867 /nfs/dbraw/zinc/70/38/67/557703867.db2.gz IQRDNGUOSALAAG-MRXNPFEDSA-N 0 0 400.444 6.344 40 0 HKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)Cc1c(Cl)cccc1Cl ZINC000006469124 560630693 /nfs/dbraw/zinc/63/06/93/560630693.db2.gz FNGJGPPNHDHUKP-PMUMKWKESA-N 0 0 401.330 5.083 40 0 HKABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)Cc1c(Cl)cccc1Cl ZINC000006469132 560630781 /nfs/dbraw/zinc/63/07/81/560630781.db2.gz FNGJGPPNHDHUKP-SUNYJGFJSA-N 0 0 401.330 5.083 40 0 HKABRN COc1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1 ZINC000006470147 569332658 /nfs/dbraw/zinc/33/26/58/569332658.db2.gz BHFJNPCOUXFWRM-UHFFFAOYSA-N 0 0 412.283 5.289 40 0 HKABRN COc1cccc(OC(=O)c2ccc(COc3ccc(Br)cc3)cc2)c1 ZINC000006470686 569332713 /nfs/dbraw/zinc/33/27/13/569332713.db2.gz PCFMUJZDVSLZQT-UHFFFAOYSA-N 0 0 413.267 5.256 40 0 HKABRN COc1ccccc1OC(=O)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000006470801 569332730 /nfs/dbraw/zinc/33/27/30/569332730.db2.gz IGADQWIVXQLTCU-UHFFFAOYSA-N 0 0 413.267 5.256 40 0 HKABRN C[C@@H](NC(=S)NC(=O)c1cccc(Cl)c1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000006471120 557703987 /nfs/dbraw/zinc/70/39/87/557703987.db2.gz FKQYWNXLBCILFG-JIEKGTPASA-N 0 0 411.398 5.203 40 0 HKABRN Cc1cc(OCC(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)ccc1Cl ZINC000006471274 557703990 /nfs/dbraw/zinc/70/39/90/557703990.db2.gz AICUHKGLBNYQEK-UHFFFAOYSA-N 0 0 401.702 5.582 40 0 HKABRN O=C(NCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)Nc1cccc(Cl)c1 ZINC000006471389 557703992 /nfs/dbraw/zinc/70/39/92/557703992.db2.gz WORALVDVOHZEME-UHFFFAOYSA-N 0 0 421.328 5.059 40 0 HKABRN NC(=O)c1c(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)sc2c1CCCCC2 ZINC000006471438 560742399 /nfs/dbraw/zinc/74/23/99/560742399.db2.gz XYSNCXXLSKLWFD-UHFFFAOYSA-N 0 0 414.914 5.282 40 0 HKABRN O=C(Nc1nc2ccc(NC(=O)c3cccc(F)c3)cc2s1)c1cccc(F)c1 ZINC000006471476 560742405 /nfs/dbraw/zinc/74/24/05/560742405.db2.gz MNWZQNZDPHHYBK-UHFFFAOYSA-N 0 0 409.417 5.079 40 0 HKABRN COc1ccc(CCCc2nnc(SCc3ccc(Cl)cc3)n2C)cc1C ZINC000006471538 569332733 /nfs/dbraw/zinc/33/27/33/569332733.db2.gz ZYDBQNZXKLBRPE-UHFFFAOYSA-N 0 0 401.963 5.253 40 0 HKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000006471760 557704261 /nfs/dbraw/zinc/70/42/61/557704261.db2.gz KRYIDKWCRVMSFH-UHFFFAOYSA-N 0 0 401.702 5.582 40 0 HKABRN O=C(NCC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000006472425 557704230 /nfs/dbraw/zinc/70/42/30/557704230.db2.gz OZIHUDDSWWVFFC-UHFFFAOYSA-N 0 0 421.328 5.059 40 0 HKABRN Cc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)c(Cl)c1 ZINC000006472951 557704258 /nfs/dbraw/zinc/70/42/58/557704258.db2.gz ZVJAJVALDUFEBU-UHFFFAOYSA-N 0 0 412.876 6.862 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)c1 ZINC000006473254 557704237 /nfs/dbraw/zinc/70/42/37/557704237.db2.gz WCOYFNARYSAEFS-UHFFFAOYSA-N 0 0 409.338 6.052 40 0 HKABRN COc1cc2sc(NC(=O)COc3cc(C)ccc3C(C)C)nc2cc1Cl ZINC000006473261 557704276 /nfs/dbraw/zinc/70/42/76/557704276.db2.gz JJIGEGRPJMMVCF-UHFFFAOYSA-N 0 0 404.919 5.408 40 0 HKABRN O=C(c1ccccc1Cl)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@H]1c1ccco1 ZINC000006473620 560871342 /nfs/dbraw/zinc/87/13/42/560871342.db2.gz PWLRFSGCYPTTSM-CJUQLAJISA-N 0 0 406.869 5.963 40 0 HKABRN Clc1ccc(CSC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000006474722 557704255 /nfs/dbraw/zinc/70/42/55/557704255.db2.gz AMBANBKFWOCUDR-UHFFFAOYSA-N 0 0 400.974 7.565 40 0 HKABRN Clc1c2ccc(Cl)cc2sc1-c1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000006474926 569279921 /nfs/dbraw/zinc/27/99/21/569279921.db2.gz YVHXSBAHERQLBI-UHFFFAOYSA-N 0 0 423.328 6.518 40 0 HKABRN O=C(CSCc1c(F)cccc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000006475004 560742421 /nfs/dbraw/zinc/74/24/21/560742421.db2.gz CTZHSRICNYAFDA-UHFFFAOYSA-N 0 0 413.945 5.941 40 0 HKABRN [O-][n+]1c(-c2ccccc2)c(-c2ccccc2)n(O)c1-c1cccc(Br)c1 ZINC000006475897 560742472 /nfs/dbraw/zinc/74/24/72/560742472.db2.gz IOSUZRAPGKDCDU-UHFFFAOYSA-N 0 0 407.267 5.122 40 0 HKABRN Cc1ccc(NC(=O)COc2ccc(/C=C3\Sc4ccccc4C3=O)cc2)cc1 ZINC000006476780 569332681 /nfs/dbraw/zinc/33/26/81/569332681.db2.gz MYXUGWBSDXJKBQ-HMAPJEAMSA-N 0 0 401.487 5.342 40 0 HKABRN Cc1ccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1 ZINC000006477066 557704481 /nfs/dbraw/zinc/70/44/81/557704481.db2.gz LMKMFOROJBHIMD-UHFFFAOYSA-N 0 0 408.457 5.974 40 0 HKABRN Cc1cc(C)cc(OC(=O)c2ccc(COc3ccc(Br)cc3)cc2)c1 ZINC000006477213 569332823 /nfs/dbraw/zinc/33/28/23/569332823.db2.gz JAWIULBPCYAJMJ-UHFFFAOYSA-N 0 0 411.295 5.864 40 0 HKABRN Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1Br ZINC000006477378 560742469 /nfs/dbraw/zinc/74/24/69/560742469.db2.gz MZNWOAYBYJOCNX-SNVBAGLBSA-N 0 0 403.103 5.470 40 0 HKABRN Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1Br ZINC000006477381 560742504 /nfs/dbraw/zinc/74/25/04/560742504.db2.gz MZNWOAYBYJOCNX-JTQLQIEISA-N 0 0 403.103 5.470 40 0 HKABRN Cc1ccc(Sc2ccc(/C=C3/Sc4ccccc4C3=O)cc2[N+](=O)[O-])cc1 ZINC000006477506 569332789 /nfs/dbraw/zinc/33/27/89/569332789.db2.gz WGNVGAGHQZMRGV-FYJGNVAPSA-N 0 0 405.500 6.384 40 0 HKABRN COc1ccc(-c2c(C)nn3c2nc(-c2ccc(C)cc2)cc3-c2ccc(C)cc2)cc1 ZINC000006477745 569332811 /nfs/dbraw/zinc/33/28/11/569332811.db2.gz PHCAJVXFIWTLNM-UHFFFAOYSA-N 0 0 419.528 6.664 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)c(C)c1 ZINC000006478076 569332925 /nfs/dbraw/zinc/33/29/25/569332925.db2.gz VMTMWXSXPXKRCC-UHFFFAOYSA-N 0 0 410.311 5.897 40 0 HKABRN Cc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1Cl ZINC000006478106 557704390 /nfs/dbraw/zinc/70/43/90/557704390.db2.gz JGUCYOCTNZEWTQ-UHFFFAOYSA-N 0 0 412.876 6.862 40 0 HKABRN Cc1ccc(C2=N/C(=C/c3ccccc3OCc3ccccc3)C(=O)O2)cc1Cl ZINC000006478110 569332915 /nfs/dbraw/zinc/33/29/15/569332915.db2.gz SSIKYCKSXDWRDY-KGENOOAVSA-N 0 0 403.865 5.572 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(CSc3nc4ccccc4o3)cc2)cc1Cl ZINC000006478143 560871558 /nfs/dbraw/zinc/87/15/58/560871558.db2.gz IRQIRCUOWVDSQH-UHFFFAOYSA-N 0 0 408.910 6.334 40 0 HKABRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)nn12 ZINC000006478203 557704386 /nfs/dbraw/zinc/70/43/86/557704386.db2.gz FWVJCAFCFPEILH-XYOKQWHBSA-N 0 0 417.538 5.245 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)c1 ZINC000006478343 569332950 /nfs/dbraw/zinc/33/29/50/569332950.db2.gz QXNSDWPSOKLECA-UHFFFAOYSA-N 0 0 410.311 5.897 40 0 HKABRN Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccccc4C#N)o3)C2=O)c1 ZINC000006478740 569332896 /nfs/dbraw/zinc/33/28/96/569332896.db2.gz NNFCIHISZDPERM-CIAFOILYSA-N 0 0 400.459 5.363 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000006478798 569332940 /nfs/dbraw/zinc/33/29/40/569332940.db2.gz WVCKEXOYZVWXNU-UHFFFAOYSA-N 0 0 414.288 5.911 40 0 HKABRN Cc1cccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)c1 ZINC000006478890 557704423 /nfs/dbraw/zinc/70/44/23/557704423.db2.gz ROKPUPFRTCAMBB-UHFFFAOYSA-N 0 0 408.457 5.974 40 0 HKABRN COc1c(C)cccc1C(=O)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000006479193 557704727 /nfs/dbraw/zinc/70/47/27/557704727.db2.gz YMXVVULOCYSKAC-UHFFFAOYSA-N 0 0 408.457 6.217 40 0 HKABRN Cc1ccccc1NC(=O)COc1ccc(/C=C2/Sc3ccccc3C2=O)cc1 ZINC000006479492 569332938 /nfs/dbraw/zinc/33/29/38/569332938.db2.gz KEPAEOCHJIHWNZ-HYARGMPZSA-N 0 0 401.487 5.342 40 0 HKABRN Cc1ccccc1OCC(=O)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000006479536 557704633 /nfs/dbraw/zinc/70/46/33/557704633.db2.gz FKVZEHVMMFKQCS-UHFFFAOYSA-N 0 0 408.457 5.974 40 0 HKABRN Cc1ccc(OCc2ccc(C(=O)Nc3ncc(-c4ccccc4)s3)cc2)cc1 ZINC000006479700 560742493 /nfs/dbraw/zinc/74/24/93/560742493.db2.gz UWEUCDMKLRVABN-UHFFFAOYSA-N 0 0 400.503 5.950 40 0 HKABRN Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000006479710 569333053 /nfs/dbraw/zinc/33/30/53/569333053.db2.gz GCNHISUVVVNKHL-UHFFFAOYSA-N 0 0 410.469 5.767 40 0 HKABRN Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3cccc4ccccc43)cc2)cc1 ZINC000006479714 569332998 /nfs/dbraw/zinc/33/29/98/569332998.db2.gz KTZBIQSNJFHODB-UHFFFAOYSA-N 0 0 410.469 5.767 40 0 HKABRN Cc1ccc(OCc2ccc(C(=O)OCc3ccc(Br)cc3)cc2)cc1 ZINC000006479721 569333057 /nfs/dbraw/zinc/33/30/57/569333057.db2.gz QPOHDJOFBCJAIE-UHFFFAOYSA-N 0 0 411.295 5.694 40 0 HKABRN Cc1ccc(OCc2ccc(C(=O)Oc3ccc(C4CCCCC4)cc3)cc2)cc1 ZINC000006479745 569333030 /nfs/dbraw/zinc/33/30/30/569333030.db2.gz KXWCSPXKLQDJBH-UHFFFAOYSA-N 0 0 400.518 6.841 40 0 HKABRN Cc1ccc(OCc2ccc(C(=O)Oc3ccc(Cc4ccccc4)cc3)cc2)cc1 ZINC000006479749 569333043 /nfs/dbraw/zinc/33/30/43/569333043.db2.gz KSEOVLNDXKWZDV-UHFFFAOYSA-N 0 0 408.497 6.384 40 0 HKABRN Cc1ccc(OCc2ccc(C(=O)Oc3ccc(-c4cccc(C)c4)cc3C)cc2)cc1 ZINC000006479758 569333045 /nfs/dbraw/zinc/33/30/45/569333045.db2.gz BOGFLWPCEQBWEP-UHFFFAOYSA-N 0 0 422.524 7.077 40 0 HKABRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000006479852 569333007 /nfs/dbraw/zinc/33/30/07/569333007.db2.gz RYBLCWDCHRUBSE-UHFFFAOYSA-N 0 0 413.926 5.183 40 0 HKABRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)cc1 ZINC000006479870 569333001 /nfs/dbraw/zinc/33/30/01/569333001.db2.gz AOOBWDIBTYAAPD-UHFFFAOYSA-N 0 0 413.926 5.183 40 0 HKABRN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc4ccccc43)cc2)cc1 ZINC000006479871 569333064 /nfs/dbraw/zinc/33/30/64/569333064.db2.gz ZLBXSEOQYAKXMF-UHFFFAOYSA-N 0 0 415.514 5.374 40 0 HKABRN Cc1ccc(OCc2ccc(C(=O)Oc3ccc(-c4ccc(C)cc4)cc3C)cc2)cc1 ZINC000006480147 569332984 /nfs/dbraw/zinc/33/29/84/569332984.db2.gz JIYJUTLBCYCTTD-UHFFFAOYSA-N 0 0 422.524 7.077 40 0 HKABRN Cc1ccc(OCc2ccc(C(=O)Oc3ccc(-c4ccc(C)cc4)cc3)cc2)cc1 ZINC000006480148 569333015 /nfs/dbraw/zinc/33/30/15/569333015.db2.gz IFJOESRUDJIUEG-UHFFFAOYSA-N 0 0 408.497 6.769 40 0 HKABRN Cc1ccc(OCc2ccc(C(=O)Nc3ncc(-c4ccc(C)cc4)s3)cc2)cc1 ZINC000006480151 569333028 /nfs/dbraw/zinc/33/30/28/569333028.db2.gz QTWSKCRKDGJMLK-UHFFFAOYSA-N 0 0 414.530 6.258 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1C ZINC000006480299 559207127 /nfs/dbraw/zinc/20/71/27/559207127.db2.gz FZQCOUTTYJGHAE-UHFFFAOYSA-N 0 0 410.311 5.897 40 0 HKABRN Cc1ccc(OC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1C ZINC000006480411 569333005 /nfs/dbraw/zinc/33/30/05/569333005.db2.gz HABLOIKNRYTEPW-UHFFFAOYSA-N 0 0 411.295 5.864 40 0 HKABRN CCCCOc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccc(CC)cc32)cc1 ZINC000006480925 560630932 /nfs/dbraw/zinc/63/09/32/560630932.db2.gz MPKUTGCUPVFZMI-UHFFFAOYSA-N 0 0 411.549 6.170 40 0 HKABRN CCCCOc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(C)cc32)cc1 ZINC000006480927 560630951 /nfs/dbraw/zinc/63/09/51/560630951.db2.gz QBHLCBUGMNNMQJ-UHFFFAOYSA-N 0 0 417.940 6.261 40 0 HKABRN CCCCOc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(C)cc32)cc1 ZINC000006480935 560630924 /nfs/dbraw/zinc/63/09/24/560630924.db2.gz ULWQMKDPEPUDTM-UHFFFAOYSA-N 0 0 401.485 5.747 40 0 HKABRN CCCCOc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(CC)cc32)cc1 ZINC000006480936 560630938 /nfs/dbraw/zinc/63/09/38/560630938.db2.gz XINLSIOJXBRPRC-UHFFFAOYSA-N 0 0 415.512 6.001 40 0 HKABRN CCCCOc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(F)cc32)cc1 ZINC000006480938 560630952 /nfs/dbraw/zinc/63/09/52/560630952.db2.gz YGACIYIBENIDOZ-UHFFFAOYSA-N 0 0 405.448 5.578 40 0 HKABRN CCCCOc1ccc(C2=NNC(c3ccc(OC)cc3)=Nc3ccc(C)cc32)cc1 ZINC000006480944 560630949 /nfs/dbraw/zinc/63/09/49/560630949.db2.gz NOWLYXIKRKGEMW-UHFFFAOYSA-N 0 0 413.521 5.616 40 0 HKABRN CCCCOc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(OCC)cc32)cc1 ZINC000006480959 560630954 /nfs/dbraw/zinc/63/09/54/560630954.db2.gz PVYKIMMGZZTDEW-UHFFFAOYSA-N 0 0 413.521 5.698 40 0 HKABRN CCCCOc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(OCC)cc32)cc1 ZINC000006480970 560630922 /nfs/dbraw/zinc/63/09/22/560630922.db2.gz UOJADSHAXMYWIV-UHFFFAOYSA-N 0 0 414.509 5.093 40 0 HKABRN CCCCOc1ccc(C2=NNC(c3cccs3)=Nc3ccc(CC)cc32)cc1 ZINC000006480977 560630955 /nfs/dbraw/zinc/63/09/55/560630955.db2.gz NGPFBKHKHDPOEB-UHFFFAOYSA-N 0 0 403.551 5.923 40 0 HKABRN CCCCOc1ccc(C2=NNC(c3cccs3)=Nc3ccc(OC)cc32)cc1 ZINC000006480980 560630904 /nfs/dbraw/zinc/63/09/04/560630904.db2.gz ATJZTIRBENKAIJ-UHFFFAOYSA-N 0 0 405.523 5.370 40 0 HKABRN CCCCOc1ccc(C2=NNC(c3ccncc3)=Nc3ccc(OCC)cc32)cc1 ZINC000006480985 557704680 /nfs/dbraw/zinc/70/46/80/557704680.db2.gz PQVGIKKPIRAUOO-UHFFFAOYSA-N 0 0 414.509 5.093 40 0 HKABRN CCCCOc1ccc(C2=NNC(c3ccccc3)=Nc3c4ccccc4ccc32)cc1 ZINC000006480992 560630956 /nfs/dbraw/zinc/63/09/56/560630956.db2.gz VJKAZBAOMQFNES-UHFFFAOYSA-N 0 0 419.528 6.453 40 0 HKABRN CCCCOc1ccc(C2=NNC(c3cccnc3)=Nc3c4ccccc4ccc32)cc1 ZINC000006480993 560630919 /nfs/dbraw/zinc/63/09/19/560630919.db2.gz PXQCXEYNDPTILK-UHFFFAOYSA-N 0 0 420.516 5.848 40 0 HKABRN CCCCOc1ccc(C2=NNC(c3ccncc3)=Nc3c4ccccc4ccc32)cc1 ZINC000006480995 560631012 /nfs/dbraw/zinc/63/10/12/560631012.db2.gz FUNVEKGWNVBQQF-UHFFFAOYSA-N 0 0 420.516 5.848 40 0 HKABRN CCCCOc1ccc(-c2nnc(-c3sc4cccc(Cl)c4c3Cl)o2)cc1 ZINC000006481110 560631000 /nfs/dbraw/zinc/63/10/00/560631000.db2.gz YWCYVIAVSLJXRZ-UHFFFAOYSA-N 0 0 419.333 7.104 40 0 HKABRN CCCCOc1ccc(-c2nnc(-c3sc4cc(Cl)ccc4c3Cl)o2)cc1 ZINC000006481112 560630966 /nfs/dbraw/zinc/63/09/66/560630966.db2.gz RKCWLPYPXRBPJP-UHFFFAOYSA-N 0 0 419.333 7.104 40 0 HKABRN Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)N[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000006483518 557704654 /nfs/dbraw/zinc/70/46/54/557704654.db2.gz SXOOYTUJLLTENR-GXTWGEPZSA-N 0 0 419.978 5.123 40 0 HKABRN Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)N[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000006483520 557704707 /nfs/dbraw/zinc/70/47/07/557704707.db2.gz SXOOYTUJLLTENR-JSGCOSHPSA-N 0 0 419.978 5.123 40 0 HKABRN CCn1c(SCC(=O)c2ccc3ccccc3c2)nc2sc(C)c(C)c2c1=O ZINC000006489996 557704856 /nfs/dbraw/zinc/70/48/56/557704856.db2.gz IPQFBGXOBPVOKW-UHFFFAOYSA-N 0 0 408.548 5.223 40 0 HKABRN CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1cccnc1 ZINC000006490133 557704893 /nfs/dbraw/zinc/70/48/93/557704893.db2.gz JYECUTQKDLAQNS-UHFFFAOYSA-N 0 0 400.507 5.002 40 0 HKABRN CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccncc1 ZINC000006490134 557705280 /nfs/dbraw/zinc/70/52/80/557705280.db2.gz HHHUDXCZQMVZNS-UHFFFAOYSA-N 0 0 400.507 5.002 40 0 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405.144 5.877 40 0 HKABRN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)c1cccc2c(Cl)cccc12 ZINC000006495594 557705411 /nfs/dbraw/zinc/70/54/11/557705411.db2.gz XTFMEYTWCYXZAQ-UHFFFAOYSA-N 0 0 407.709 6.662 40 0 HKABRN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccccc1Br ZINC000006495692 560744315 /nfs/dbraw/zinc/74/43/15/560744315.db2.gz DVIQZYZDWNNQLL-UHFFFAOYSA-N 0 0 402.100 5.618 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000006495769 569333039 /nfs/dbraw/zinc/33/30/39/569333039.db2.gz BODJFHBVWKXICD-LDADJPATSA-N 0 0 413.260 6.081 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000006495770 569333003 /nfs/dbraw/zinc/33/30/03/569333003.db2.gz ABOGOGCMOLOESD-GHRIWEEISA-N 0 0 413.260 6.081 40 0 HKABRN O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H](NCc1ccccc1)c1ccc(Cl)cc1 ZINC000006495915 569332991 /nfs/dbraw/zinc/33/29/91/569332991.db2.gz GMNRLJPAUDTNRK-SBTPEUDISA-N 0 0 408.973 5.256 40 0 HKABRN O=C(NC12CC3CC(CC(C3)C1)C2)[C@H](NCc1ccccc1)c1ccc(Cl)cc1 ZINC000006495916 569333061 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O=C(Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1ccc2ccccc2c1 ZINC000006496707 557705355 /nfs/dbraw/zinc/70/53/55/557705355.db2.gz SGVSNZAZLNXIGS-UHFFFAOYSA-N 0 0 414.464 7.054 40 0 HKABRN O=C(COc1ccc2ccccc2c1)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000006496723 557705332 /nfs/dbraw/zinc/70/53/32/557705332.db2.gz KMFOZTCPQALCOX-UHFFFAOYSA-N 0 0 403.290 5.774 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cc(Cl)ccc4o3)c2)cc1 ZINC000006500676 560631109 /nfs/dbraw/zinc/63/11/09/560631109.db2.gz SDKJDOLKUITGKB-UHFFFAOYSA-N 0 0 422.868 5.895 40 0 HKABRN CCCOc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(OC)cc32)cc1 ZINC000006500712 560631158 /nfs/dbraw/zinc/63/11/58/560631158.db2.gz ISHIALDCVPBYSK-UHFFFAOYSA-N 0 0 419.912 5.571 40 0 HKABRN CCCOc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(OC)cc32)cc1 ZINC000006500714 560631153 /nfs/dbraw/zinc/63/11/53/560631153.db2.gz SWKHKFXOTUNPKD-UHFFFAOYSA-N 0 0 403.457 5.057 40 0 HKABRN CCCOc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(OCC)cc32)cc1 ZINC000006500715 560631145 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Cc1ccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3o2)cc1 ZINC000006503636 560743845 /nfs/dbraw/zinc/74/38/45/560743845.db2.gz FZZQYWIHUPGBNU-UHFFFAOYSA-N 0 0 420.896 6.253 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2ccc(Cl)cc2)o1 ZINC000006503872 569333148 /nfs/dbraw/zinc/33/31/48/569333148.db2.gz QYQKUXHDTQIIDB-UHFFFAOYSA-N 0 0 408.310 5.006 40 0 HKABRN Cc1ccc2nc(-c3cc(NC(=O)c4ccc(C)c(Cl)c4)ccc3Cl)oc2c1 ZINC000006504137 560743842 /nfs/dbraw/zinc/74/38/42/560743842.db2.gz PXMCCZSTZZZXOT-UHFFFAOYSA-N 0 0 411.288 6.671 40 0 HKABRN O=C(CSCc1cccc(Cl)c1)NCCSCc1cccc(Cl)c1 ZINC000006505718 557705861 /nfs/dbraw/zinc/70/58/61/557705861.db2.gz FAPKRZBYXMWOIH-UHFFFAOYSA-N 0 0 400.396 5.276 40 0 HKABRN O=C(CSCCCSCC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000006505977 557705923 /nfs/dbraw/zinc/70/59/23/557705923.db2.gz YYIPWBIAIWULAL-UHFFFAOYSA-N 0 0 413.391 5.916 40 0 HKABRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000006515729 132311468 /nfs/dbraw/zinc/31/14/68/132311468.db2.gz NKPCLLXJTDLHOB-UHFFFAOYSA-N 0 0 403.551 5.203 40 0 HKABRN CC1CCN(c2ccc(NC(=S)NC(=O)c3cccc4ccccc43)cc2)CC1 ZINC000006515748 132311456 /nfs/dbraw/zinc/31/14/56/132311456.db2.gz FBCYQXDAZWNOJE-UHFFFAOYSA-N 0 0 403.551 5.203 40 0 HKABRN CCSc1nnc2c(n1)O[C@@H](c1ccccc1OC1CCCC1)Nc1ccccc1-2 ZINC000006518422 557706451 /nfs/dbraw/zinc/70/64/51/557706451.db2.gz QOAFLPSDRDXKLH-NRFANRHFSA-N 0 0 420.538 5.475 40 0 HKABRN CCSc1nnc2c(n1)O[C@H](c1ccccc1OC1CCCC1)Nc1ccccc1-2 ZINC000006518423 557706462 /nfs/dbraw/zinc/70/64/62/557706462.db2.gz QOAFLPSDRDXKLH-OAQYLSRUSA-N 0 0 420.538 5.475 40 0 HKABRN COc1c(C)c(C/C=C(/C)CC/C=C(/C)CCC=C(C)C)c(OC)c(OC)c1OC ZINC000006520349 557706471 /nfs/dbraw/zinc/70/64/71/557706471.db2.gz XUKZWFXRDDPNAW-BJPYRWADSA-N 0 0 416.602 6.991 40 0 HKABRN Cc1ccc2nc(-c3ccc(NC(=O)CSCc4ccccc4)cc3)sc2c1 ZINC000006522019 560743990 /nfs/dbraw/zinc/74/39/90/560743990.db2.gz MTIGEBPCJBYORQ-UHFFFAOYSA-N 0 0 404.560 6.144 40 0 HKABRN Cc1ccc(C(SC[C@@H]([NH3+])C(=O)[O-])(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000006522483 557706409 /nfs/dbraw/zinc/70/64/09/557706409.db2.gz GLGZDJARSLSKDT-HSZRJFAPSA-N 0 0 405.563 5.049 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000006526765 569333206 /nfs/dbraw/zinc/33/32/06/569333206.db2.gz VEIGKROVTOEMQH-UHFFFAOYSA-N 0 0 400.247 5.420 40 0 HKABRN O=Cc1ccc(OC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1 ZINC000006526766 569333212 /nfs/dbraw/zinc/33/32/12/569333212.db2.gz NAVVJTZMYPHEMO-UHFFFAOYSA-N 0 0 411.251 5.060 40 0 HKABRN O=C(Oc1ccc(F)cc1)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000006526767 569333185 /nfs/dbraw/zinc/33/31/85/569333185.db2.gz POMZGPKFNVKTJY-UHFFFAOYSA-N 0 0 401.231 5.386 40 0 HKABRN O=C(COC(=O)c1ccccc1F)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006528642 557706482 /nfs/dbraw/zinc/70/64/82/557706482.db2.gz SMMSWNXURATJFD-UHFFFAOYSA-N 0 0 407.485 5.089 40 0 HKABRN O=C(/C=C/c1ccccc1)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000006529026 569333194 /nfs/dbraw/zinc/33/31/94/569333194.db2.gz 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ZINC000006535841 569333302 /nfs/dbraw/zinc/33/33/02/569333302.db2.gz DLDSFDNNWNYVLP-UHFFFAOYSA-N 0 0 411.244 5.046 40 0 HKABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cccc(Cl)c1 ZINC000006535844 569333214 /nfs/dbraw/zinc/33/32/14/569333214.db2.gz AGILLRDBQSFBBR-UHFFFAOYSA-N 0 0 411.244 5.046 40 0 HKABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccccc1Cl ZINC000006535847 569333183 /nfs/dbraw/zinc/33/31/83/569333183.db2.gz SFLFFIKQHVXOJO-UHFFFAOYSA-N 0 0 411.244 5.046 40 0 HKABRN O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1cccc2c(Cl)cccc12 ZINC000006536729 560743982 /nfs/dbraw/zinc/74/39/82/560743982.db2.gz DZFWBQSZQCGPQV-UHFFFAOYSA-N 0 0 412.876 6.231 40 0 HKABRN CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccccc4)cc3)NC2=S)cc1 ZINC000006538531 557706930 /nfs/dbraw/zinc/70/69/30/557706930.db2.gz BGZDDMUYLPUNIY-JWGURIENSA-N 0 0 400.503 5.015 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)nc2c1 ZINC000006541013 560743969 /nfs/dbraw/zinc/74/39/69/560743969.db2.gz RBNPGVKJRMKEKD-OAHLLOKOSA-N 0 0 414.461 5.989 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)nc2c1 ZINC000006542036 560743987 /nfs/dbraw/zinc/74/39/87/560743987.db2.gz RBNPGVKJRMKEKD-HNNXBMFYSA-N 0 0 414.461 5.989 40 0 HKABRN CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 ZINC000006543796 560743960 /nfs/dbraw/zinc/74/39/60/560743960.db2.gz MKNLFTIUZUODIK-UHFFFAOYSA-N 0 0 400.434 5.347 40 0 HKABRN Cc1cc(OCC(=O)Nc2cccc(Cl)c2N2CCCCC2)cc(C)c1Cl ZINC000006545919 569333304 /nfs/dbraw/zinc/33/33/04/569333304.db2.gz ONICGAOLMGLOMG-UHFFFAOYSA-N 0 0 407.341 5.618 40 0 HKABRN Cc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C)c1 ZINC000006546074 557707438 /nfs/dbraw/zinc/70/74/38/557707438.db2.gz DRXBBXHLGNMGLO-UHFFFAOYSA-N 0 0 409.363 5.952 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc4ncccc43)o2)cc1C ZINC000006546772 569333299 /nfs/dbraw/zinc/33/32/99/569333299.db2.gz JZJKJHINKVSKFF-UHFFFAOYSA-N 0 0 401.491 5.238 40 0 HKABRN Cc1ccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccccc2)cc1C ZINC000006546787 569333261 /nfs/dbraw/zinc/33/32/61/569333261.db2.gz HBMUYWYLPOHWDX-UHFFFAOYSA-N 0 0 421.569 6.997 40 0 HKABRN Cc1cccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1C ZINC000006547403 557707427 /nfs/dbraw/zinc/70/74/27/557707427.db2.gz SQDOJLLQYLOTIF-UHFFFAOYSA-N 0 0 409.363 5.952 40 0 HKABRN Cc1cccc(C)c1NC(=O)Cn1cc(C(=O)COc2ccccc2)c2ccccc21 ZINC000006547421 560744118 /nfs/dbraw/zinc/74/41/18/560744118.db2.gz PNVZOSZTXLOASN-UHFFFAOYSA-N 0 0 412.489 5.159 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4C)ccc3o2)cc1C ZINC000006547548 557707495 /nfs/dbraw/zinc/70/74/95/557707495.db2.gz ANDJPVAFNLPKNT-UHFFFAOYSA-N 0 0 415.518 5.547 40 0 HKABRN CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000006553229 569333404 /nfs/dbraw/zinc/33/34/04/569333404.db2.gz MIVPMOMYWPJMNV-UHFFFAOYSA-N 0 0 422.550 5.227 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2C)cc1 ZINC000006553293 560744066 /nfs/dbraw/zinc/74/40/66/560744066.db2.gz XJDUWZSMTZLWQO-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C)cc1 ZINC000006553294 569333336 /nfs/dbraw/zinc/33/33/36/569333336.db2.gz YQLFMDPRBOMLLG-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000006553308 569333363 /nfs/dbraw/zinc/33/33/63/569333363.db2.gz POCFVDNZXPQRIF-UHFFFAOYSA-N 0 0 408.523 5.172 40 0 HKABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000006553313 560744071 /nfs/dbraw/zinc/74/40/71/560744071.db2.gz DHLDFSBYHLSJAD-UHFFFAOYSA-N 0 0 415.902 5.093 40 0 HKABRN c1ccc(Cc2nc3cc(-c4ccc5[nH]c(Cc6ccccc6)nc5c4)ccc3[nH]2)cc1 ZINC000006554170 557707594 /nfs/dbraw/zinc/70/75/94/557707594.db2.gz FGXZMVXCOGRMIY-UHFFFAOYSA-N 0 0 414.512 6.288 40 0 HKABRN CC[C@@H](CCNC(=O)Nc1ccc(Cl)cc1)NC(=O)Nc1ccc(Cl)cc1 ZINC000006554922 557707662 /nfs/dbraw/zinc/70/76/62/557707662.db2.gz NPBCKYMQGUSKSZ-HNNXBMFYSA-N 0 0 409.317 5.105 40 0 HKABRN CC[C@@H](CCNC(=O)Nc1cccc(Cl)c1)NC(=O)Nc1cccc(Cl)c1 ZINC000006554923 557707696 /nfs/dbraw/zinc/70/76/96/557707696.db2.gz KCLVQGQYMNUSLP-HNNXBMFYSA-N 0 0 409.317 5.105 40 0 HKABRN CC[C@H](CCNC(=O)Nc1ccc(Cl)cc1)NC(=O)Nc1ccc(Cl)cc1 ZINC000006555348 557707640 /nfs/dbraw/zinc/70/76/40/557707640.db2.gz NPBCKYMQGUSKSZ-OAHLLOKOSA-N 0 0 409.317 5.105 40 0 HKABRN CC[C@H](CCNC(=O)Nc1cccc(Cl)c1)NC(=O)Nc1cccc(Cl)c1 ZINC000006555349 557707629 /nfs/dbraw/zinc/70/76/29/557707629.db2.gz KCLVQGQYMNUSLP-OAHLLOKOSA-N 0 0 409.317 5.105 40 0 HKABRN CCc1cc2oc(=O)cc(C)c2cc1OCC(=O)c1sc(-c2ccccc2)nc1C ZINC000006555742 557707873 /nfs/dbraw/zinc/70/78/73/557707873.db2.gz SIUFKDWJVRESRW-UHFFFAOYSA-N 0 0 419.502 5.357 40 0 HKABRN O=C(CSc1nnc(Nc2ccccc2)s1)Nc1c(Cl)cccc1Cl ZINC000006560210 568455674 /nfs/dbraw/zinc/45/56/74/568455674.db2.gz HYIPBFYPVWBXHK-UHFFFAOYSA-N 0 0 411.339 5.319 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 ZINC000006563496 557708187 /nfs/dbraw/zinc/70/81/87/557708187.db2.gz LXDISZLKAKVYDX-UHFFFAOYSA-N 0 0 404.901 5.624 40 0 HKABRN CC(C)COc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCCC4)c2ccccc12 ZINC000006563758 569333342 /nfs/dbraw/zinc/33/33/42/569333342.db2.gz KMLQMCXBTHFXAA-UHFFFAOYSA-N 0 0 418.562 6.109 40 0 HKABRN CC(C)COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000006563770 560744179 /nfs/dbraw/zinc/74/41/79/560744179.db2.gz NFSUDHLXZHYOOW-UHFFFAOYSA-N 0 0 416.546 5.928 40 0 HKABRN CC(C)COc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 ZINC000006563781 557708184 /nfs/dbraw/zinc/70/81/84/557708184.db2.gz AEJYSTGRSFGOAG-UHFFFAOYSA-N 0 0 402.519 6.250 40 0 HKABRN COc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccccc2)cc1 ZINC000006564974 557708158 /nfs/dbraw/zinc/70/81/58/557708158.db2.gz UKYLFKPVAMOPKN-UHFFFAOYSA-N 0 0 413.506 5.112 40 0 HKABRN c1ccc2c(c1)nc(COc1cccc3ccccc31)n2Cc1cccc2ccccc21 ZINC000006565890 557708324 /nfs/dbraw/zinc/70/83/24/557708324.db2.gz OZSJLQDTEXSGTI-UHFFFAOYSA-N 0 0 414.508 6.970 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1 ZINC000006569582 132311833 /nfs/dbraw/zinc/31/18/33/132311833.db2.gz ANPUFBWLAFRQAE-NTCAYCPXSA-N 0 0 407.583 5.327 40 0 HKABRN CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)cc2)CC1 ZINC000006569659 560744194 /nfs/dbraw/zinc/74/41/94/560744194.db2.gz FKEJGVLJHRDKTF-ACCUITESSA-N 0 0 420.940 6.488 40 0 HKABRN CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 ZINC000006569686 569333392 /nfs/dbraw/zinc/33/33/92/569333392.db2.gz YXKQATYEEJFOEZ-UHFFFAOYSA-N 0 0 421.522 5.039 40 0 HKABRN CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000006570177 560744186 /nfs/dbraw/zinc/74/41/86/560744186.db2.gz DWUHVHPIQOCITD-UHFFFAOYSA-N 0 0 418.537 5.640 40 0 HKABRN CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1 ZINC000006570211 569333432 /nfs/dbraw/zinc/33/34/32/569333432.db2.gz RKQYCDYISODPOI-UHFFFAOYSA-N 0 0 424.928 5.677 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1Br ZINC000006570223 132311818 /nfs/dbraw/zinc/31/18/18/132311818.db2.gz RFZAUIGETSTTSI-UHFFFAOYSA-N 0 0 403.320 5.090 40 0 HKABRN Cc1nc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1Br ZINC000006571273 560744173 /nfs/dbraw/zinc/74/41/73/560744173.db2.gz WZMJTAALYRJTQE-UHFFFAOYSA-N 0 0 403.320 5.218 40 0 HKABRN [NH3+][C@@H](Cc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C(=O)[O-] ZINC000006574839 557708682 /nfs/dbraw/zinc/70/86/82/557708682.db2.gz NPNJNUNUMMLETK-SANMLTNESA-N 0 0 423.512 5.012 40 0 HKABRN O=C(N/C=C(\c1ccccc1)[S@](=O)Cc1ccccc1)Nc1ccccc1Cl ZINC000006575263 557708862 /nfs/dbraw/zinc/70/88/62/557708862.db2.gz OXHRPTPKWHJDAN-HACONHBVSA-N 0 0 410.926 5.409 40 0 HKABRN O=C(N/C=C(\c1ccccc1)[S@@](=O)Cc1ccccc1)Nc1ccccc1Cl ZINC000006575269 557708832 /nfs/dbraw/zinc/70/88/32/557708832.db2.gz OXHRPTPKWHJDAN-SNZUYFENSA-N 0 0 410.926 5.409 40 0 HKABRN c1ccc2c(c1)cccc2C1=Nc2ccccc2S[C@@H](c2cccc3ccccc32)C1 ZINC000006576481 557708931 /nfs/dbraw/zinc/70/89/31/557708931.db2.gz DWAZTJAWVKZQFO-GDLZYMKVSA-N 0 0 415.561 8.351 40 0 HKABRN c1ccc2cc(C3=Nc4ccccc4S[C@@H](c4cccc5ccccc54)C3)ccc2c1 ZINC000006576610 557708937 /nfs/dbraw/zinc/70/89/37/557708937.db2.gz RPIIXKQGDLCXIA-GDLZYMKVSA-N 0 0 415.561 8.351 40 0 HKABRN [NH3+][C@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)C(=O)[O-] ZINC000006578910 557709078 /nfs/dbraw/zinc/70/90/78/557709078.db2.gz BCBSYXGYLMMICN-XMMPIXPASA-N 0 0 413.542 5.277 40 0 HKABRN O=P(Oc1ccccc1)(Oc1ccccc1)[C@H](Nc1ccccc1)c1cccnc1 ZINC000006581394 557709153 /nfs/dbraw/zinc/70/91/53/557709153.db2.gz JBWCVAQQCCCQJE-DEOSSOPVSA-N 0 0 416.417 6.543 40 0 HKABRN COc1ccc(-c2nc(NC(=O)c3ccccc3OC)sc2-c2ccccc2)cc1 ZINC000006582256 557709108 /nfs/dbraw/zinc/70/91/08/557709108.db2.gz DZJFHFMOAMKEKZ-UHFFFAOYSA-N 0 0 416.502 5.747 40 0 HKABRN O=C(Nc1ccccc1)c1ccccc1[C@](O)(c1ccccc1)c1ccc(Cl)cc1 ZINC000006582268 557709103 /nfs/dbraw/zinc/70/91/03/557709103.db2.gz QZLIKSXFDZOARQ-SANMLTNESA-N 0 0 413.904 5.877 40 0 HKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)Cc1ccc(Cl)cc1Cl ZINC000006587882 560631852 /nfs/dbraw/zinc/63/18/52/560631852.db2.gz AJCOJNIDPWQPOB-FDQGKXFDSA-N 0 0 401.330 5.083 40 0 HKABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)Cc1ccc(Cl)cc1Cl ZINC000006587890 560631827 /nfs/dbraw/zinc/63/18/27/560631827.db2.gz AJCOJNIDPWQPOB-QANKJYHBSA-N 0 0 401.330 5.083 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c1 ZINC000006592702 560744944 /nfs/dbraw/zinc/74/49/44/560744944.db2.gz XXSNCEBZVGLUTC-UHFFFAOYSA-N 0 0 413.473 5.891 40 0 HKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc([C@@H](C)CC)cc2)c1 ZINC000006592798 560744963 /nfs/dbraw/zinc/74/49/63/560744963.db2.gz XYNNXOJSKUJFOY-HNNXBMFYSA-N 0 0 402.922 5.610 40 0 HKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc([C@H](C)CC)cc2)c1 ZINC000006592816 560744901 /nfs/dbraw/zinc/74/49/01/560744901.db2.gz XYNNXOJSKUJFOY-OAHLLOKOSA-N 0 0 402.922 5.610 40 0 HKABRN CCCCC(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)OCC)cc1 ZINC000006593682 560744959 /nfs/dbraw/zinc/74/49/59/560744959.db2.gz PITLHKYIVAZEEH-UHFFFAOYSA-N 0 0 408.325 5.894 40 0 HKABRN CCCCC(=O)N(Cc1ccc(Cl)cc1Cl)c1ccc(C(=O)OCC)cc1 ZINC000006593696 560744912 /nfs/dbraw/zinc/74/49/12/560744912.db2.gz YNEARGDBETVMFD-UHFFFAOYSA-N 0 0 408.325 5.894 40 0 HKABRN CCCCC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000006593844 560744933 /nfs/dbraw/zinc/74/49/33/560744933.db2.gz KWVNDBQWOJLZCQ-UHFFFAOYSA-N 0 0 403.960 5.620 40 0 HKABRN CCOC(=O)C1=C(C)NC(SCc2ccccc2Cl)=N[C@@H]1c1ccccc1 ZINC000006594678 569333635 /nfs/dbraw/zinc/33/36/35/569333635.db2.gz FJAYLLLHQPGEPF-LJQANCHMSA-N 0 0 400.931 5.111 40 0 HKABRN CCOC(=O)C1=C(C)NC(SCc2ccccc2Cl)=N[C@H]1c1ccccc1 ZINC000006594680 569333656 /nfs/dbraw/zinc/33/36/56/569333656.db2.gz FJAYLLLHQPGEPF-IBGZPJMESA-N 0 0 400.931 5.111 40 0 HKABRN CCCCC(=O)Nc1ccc(NC(=O)COc2ccc([C@@H](C)CC)cc2)cc1OC ZINC000006594818 560744953 /nfs/dbraw/zinc/74/49/53/560744953.db2.gz ZOXMETOVHBTIGZ-KRWDZBQOSA-N 0 0 412.530 5.355 40 0 HKABRN CCCCC(=O)Nc1ccc(NC(=O)COc2ccc([C@H](C)CC)cc2)cc1OC ZINC000006594840 560744961 /nfs/dbraw/zinc/74/49/61/560744961.db2.gz ZOXMETOVHBTIGZ-QGZVFWFLSA-N 0 0 412.530 5.355 40 0 HKABRN CCCCCC(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)OCC)cc1 ZINC000006594930 560744924 /nfs/dbraw/zinc/74/49/24/560744924.db2.gz UIPWOVOMNKYQCV-UHFFFAOYSA-N 0 0 422.352 6.284 40 0 HKABRN CCCCCC(=O)N(Cc1ccc(Cl)cc1Cl)c1ccc(C(=O)OCC)cc1 ZINC000006594967 560744909 /nfs/dbraw/zinc/74/49/09/560744909.db2.gz PCXBTIDMHCSXFU-UHFFFAOYSA-N 0 0 422.352 6.284 40 0 HKABRN CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000006595048 560744975 /nfs/dbraw/zinc/74/49/75/560744975.db2.gz OKMXDDLQCOCAES-UHFFFAOYSA-N 0 0 417.987 6.010 40 0 HKABRN O=C(COC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccc2ccccc2c1 ZINC000006595372 569333679 /nfs/dbraw/zinc/33/36/79/569333679.db2.gz DIFSFXRFULRUQG-UHFFFAOYSA-N 0 0 409.441 5.132 40 0 HKABRN O=C(COC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1cccc2ccccc21 ZINC000006595386 569333619 /nfs/dbraw/zinc/33/36/19/569333619.db2.gz JXSKQRPLQDOHOD-UHFFFAOYSA-N 0 0 409.441 5.132 40 0 HKABRN O=C(Nc1cccc(C(=O)OCc2ccc(Br)cc2)c1)c1ccccc1 ZINC000006595401 569333620 /nfs/dbraw/zinc/33/36/20/569333620.db2.gz CXFJBQLATNDTPF-UHFFFAOYSA-N 0 0 410.267 5.058 40 0 HKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(Cl)c(OCC)c(Cl)c1 ZINC000006595454 569333691 /nfs/dbraw/zinc/33/36/91/569333691.db2.gz FIVNBZQRHRMMRC-OAHLLOKOSA-N 0 0 413.326 5.160 40 0 HKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(Cl)c(OCC)c(Cl)c1 ZINC000006595455 569333686 /nfs/dbraw/zinc/33/36/86/569333686.db2.gz FIVNBZQRHRMMRC-HNNXBMFYSA-N 0 0 413.326 5.160 40 0 HKABRN CCOc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1 ZINC000006595524 569333631 /nfs/dbraw/zinc/33/36/31/569333631.db2.gz RCKIWLGAVFKKHS-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1cccc(Cl)c1 ZINC000006595622 569333658 /nfs/dbraw/zinc/33/36/58/569333658.db2.gz CQJYDJOGGJANJS-UHFFFAOYSA-N 0 0 403.975 5.725 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2OC)cc1 ZINC000006595687 560744970 /nfs/dbraw/zinc/74/49/70/560744970.db2.gz ZAZNGXIVTCDJAN-UHFFFAOYSA-N 0 0 416.477 5.771 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OCc1ccccc1 ZINC000006595963 569333644 /nfs/dbraw/zinc/33/36/44/569333644.db2.gz XSLDNGPBRLGXCN-UHFFFAOYSA-N 0 0 416.304 6.223 40 0 HKABRN CCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2OC)c1 ZINC000006596042 560745063 /nfs/dbraw/zinc/74/50/63/560745063.db2.gz YRXNWNRMMKSTAH-UHFFFAOYSA-N 0 0 416.477 5.771 40 0 HKABRN CC[C@@H](C)c1ccccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000006596473 560745071 /nfs/dbraw/zinc/74/50/71/560745071.db2.gz MOWJKPWMPKKQQP-SLZMIMFISA-N 0 0 414.332 7.419 40 0 HKABRN CCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 ZINC000006597447 560745076 /nfs/dbraw/zinc/74/50/76/560745076.db2.gz FEOXLOAKMQERGH-LJQANCHMSA-N 0 0 424.541 5.034 40 0 HKABRN CCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OCCC)cc3)C2)cc1 ZINC000006597451 560745073 /nfs/dbraw/zinc/74/50/73/560745073.db2.gz VTHRSKVPTUAQOT-LJQANCHMSA-N 0 0 424.541 5.036 40 0 HKABRN CCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 ZINC000006597456 560745092 /nfs/dbraw/zinc/74/50/92/560745092.db2.gz FEOXLOAKMQERGH-IBGZPJMESA-N 0 0 424.541 5.034 40 0 HKABRN CCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OCCC)cc3)C2)cc1 ZINC000006597460 560745066 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Cc1cc2sc(NC(=O)c3cccc(OCc4ccccc4)c3)nc2cc1Cl ZINC000006826382 557725860 /nfs/dbraw/zinc/72/58/60/557725860.db2.gz SIHBYTQBKLSALY-UHFFFAOYSA-N 0 0 408.910 6.089 40 0 HKABRN Cc1cc2sc(NC(=S)NC(=O)c3cc4ccccc4o3)nc2cc1Cl ZINC000006826397 557725844 /nfs/dbraw/zinc/72/58/44/557725844.db2.gz OUIQLVWAFMPCIP-UHFFFAOYSA-N 0 0 401.900 5.131 40 0 HKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)nc2cc1Cl ZINC000006826398 557725850 /nfs/dbraw/zinc/72/58/50/557725850.db2.gz LSTIEPNEGSIFQB-UHFFFAOYSA-N 0 0 417.987 5.682 40 0 HKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)nc2cc1Cl ZINC000006826399 557725827 /nfs/dbraw/zinc/72/58/27/557725827.db2.gz IXDWVHHNLLMMGN-UHFFFAOYSA-N 0 0 403.960 5.508 40 0 HKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc4ccccc4c3)nc2cc1Cl ZINC000006826404 557725825 /nfs/dbraw/zinc/72/58/25/557725825.db2.gz QCAHYRFAVVIOAR-UHFFFAOYSA-N 0 0 411.939 5.538 40 0 HKABRN Cc1cc2sc(NC(=S)NC(=O)c3cccc4ccccc43)nc2cc1Cl ZINC000006826409 557725788 /nfs/dbraw/zinc/72/57/88/557725788.db2.gz SCENWBOWVUSDEQ-UHFFFAOYSA-N 0 0 411.939 5.538 40 0 HKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc2ccccc2c1 ZINC000006826420 560747467 /nfs/dbraw/zinc/74/74/67/560747467.db2.gz HQENIFNAAYGBKT-UHFFFAOYSA-N 0 0 420.516 6.258 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc4ccccc43)cs2)c(C)c1 ZINC000006826477 557725873 /nfs/dbraw/zinc/72/58/73/557725873.db2.gz VFMDLJOIRVNTBK-UHFFFAOYSA-N 0 0 417.559 5.707 40 0 HKABRN Fc1cccc(F)c1CSc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000006828662 557725928 /nfs/dbraw/zinc/72/59/28/557725928.db2.gz WJNCEAMJDKEAIS-UHFFFAOYSA-N 0 0 404.894 6.582 40 0 HKABRN CC(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccccc4Cl)nc3C2)cc1 ZINC000006828842 560747479 /nfs/dbraw/zinc/74/74/79/560747479.db2.gz NDKANXOTIASJBH-QGZVFWFLSA-N 0 0 419.912 5.418 40 0 HKABRN CC(C)c1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccccc4Cl)nc3C2)cc1 ZINC000006828847 560747490 /nfs/dbraw/zinc/74/74/90/560747490.db2.gz NDKANXOTIASJBH-KRWDZBQOSA-N 0 0 419.912 5.418 40 0 HKABRN FC(F)(F)c1cc(-c2ccccc2)nc(SC[C@@H]2COc3ccccc3O2)n1 ZINC000006829708 557725925 /nfs/dbraw/zinc/72/59/25/557725925.db2.gz HLXHAPWEZGAYCZ-AWEZNQCLSA-N 0 0 404.413 5.095 40 0 HKABRN CCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000006830188 557726009 /nfs/dbraw/zinc/72/60/09/557726009.db2.gz UOUYGQISYVBFJO-UHFFFAOYSA-N 0 0 412.533 5.407 40 0 HKABRN Cc1ccc(C)c(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c1 ZINC000006837186 569334705 /nfs/dbraw/zinc/33/47/05/569334705.db2.gz DQYGWNVDPPBXCP-UHFFFAOYSA-N 0 0 407.326 5.126 40 0 HKABRN Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 ZINC000006840523 569334710 /nfs/dbraw/zinc/33/47/10/569334710.db2.gz USTAFWFFURKYTD-UKTHLTGXSA-N 0 0 407.307 6.233 40 0 HKABRN Cc1ccc(COc2ccc(/C=C3\N=C(c4ccc(C)c(Cl)c4)OC3=O)cc2)cc1 ZINC000006841170 569334734 /nfs/dbraw/zinc/33/47/34/569334734.db2.gz WUDZIXNXSWIBJI-QRVIBDJDSA-N 0 0 417.892 5.880 40 0 HKABRN Cc1ccc(COc2ccccc2/C=C2/N=C(c3ccc(C)c(Cl)c3)OC2=O)cc1 ZINC000006841207 569334707 /nfs/dbraw/zinc/33/47/07/569334707.db2.gz MZDIIEJAPFVEII-HYARGMPZSA-N 0 0 417.892 5.880 40 0 HKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccccc1OCc1ccc(C)cc1 ZINC000006843466 569334723 /nfs/dbraw/zinc/33/47/23/569334723.db2.gz ZKCQMFNKSYUACU-JOCHJYFZSA-N 0 0 420.534 5.342 40 0 HKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccccc1OCc1ccc(C)cc1 ZINC000006843471 569334719 /nfs/dbraw/zinc/33/47/19/569334719.db2.gz ZKCQMFNKSYUACU-QFIPXVFZSA-N 0 0 420.534 5.342 40 0 HKABRN CCc1ccc2c(c1)C(c1ccc(OC)c(OC)c1)=NNC(c1ccc(Cl)cc1)=N2 ZINC000006844046 560634394 /nfs/dbraw/zinc/63/43/94/560634394.db2.gz JNHFECMFJRIAIQ-UHFFFAOYSA-N 0 0 419.912 5.354 40 0 HKABRN CCOc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(CC)cc32)cc1OCC ZINC000006844065 560634390 /nfs/dbraw/zinc/63/43/90/560634390.db2.gz BNXILOTXEMXQAM-UHFFFAOYSA-N 0 0 413.521 5.480 40 0 HKABRN CCc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 ZINC000006844084 560634380 /nfs/dbraw/zinc/63/43/80/560634380.db2.gz HATGJJKIVSGQCD-UHFFFAOYSA-N 0 0 415.968 6.634 40 0 HKABRN CCc1ccc2c(c1)C(c1ccc(OC)cc1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 ZINC000006844114 560634430 /nfs/dbraw/zinc/63/44/30/560634430.db2.gz IYYGLCYVHXHOLI-UHFFFAOYSA-N 0 0 411.549 5.989 40 0 HKABRN CCOc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(CC)cc32)cc1 ZINC000006844124 560634385 /nfs/dbraw/zinc/63/43/85/560634385.db2.gz PXMZEJXMPTZCOA-UHFFFAOYSA-N 0 0 403.913 5.735 40 0 HKABRN Cc1ccc2nc(-c3cc(NC(=O)COc4ccc(C)cc4C)ccc3Cl)oc2c1 ZINC000006844140 560747567 /nfs/dbraw/zinc/74/75/67/560747567.db2.gz SZDXZZANNBBFGB-UHFFFAOYSA-N 0 0 420.896 6.091 40 0 HKABRN CCc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccc(Br)cc1)=N2 ZINC000006844169 560634396 /nfs/dbraw/zinc/63/43/96/560634396.db2.gz DHCGWISDMBDBEY-UHFFFAOYSA-N 0 0 404.311 5.445 40 0 HKABRN CCc1ccc2c(c1)C(c1cccs1)=NNC(c1ccc(Br)cc1)=N2 ZINC000006844178 560634424 /nfs/dbraw/zinc/63/44/24/560634424.db2.gz NFATXJLTHDFMGC-UHFFFAOYSA-N 0 0 410.340 5.507 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)c(Cl)c1 ZINC000006844364 557726679 /nfs/dbraw/zinc/72/66/79/557726679.db2.gz KQCAJZIEVBSWNB-UHFFFAOYSA-N 0 0 410.351 5.347 40 0 HKABRN Cc1ccc(C)c(N(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000006844385 569334732 /nfs/dbraw/zinc/33/47/32/569334732.db2.gz KUXFVAGRZBYVMF-UHFFFAOYSA-N 0 0 403.906 5.491 40 0 HKABRN Cc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000006845129 560747578 /nfs/dbraw/zinc/74/75/78/560747578.db2.gz MCRADLPRELMQIX-UHFFFAOYSA-N 0 0 413.329 6.831 40 0 HKABRN COc1ccc(-c2csc(NC(=O)c3ccc(C)cc3)n2)cc1Br ZINC000006845136 560747557 /nfs/dbraw/zinc/74/75/57/560747557.db2.gz HMLZOAKFCCYZCY-UHFFFAOYSA-N 0 0 403.301 5.142 40 0 HKABRN Cc1ccc(COc2ccc(Br)cc2C(=S)N2CCCCC2)cc1 ZINC000006845244 569334865 /nfs/dbraw/zinc/33/48/65/569334865.db2.gz HWOYIPCVYWMRDV-UHFFFAOYSA-N 0 0 404.373 5.498 40 0 HKABRN Cc1ccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000006845316 569334780 /nfs/dbraw/zinc/33/47/80/569334780.db2.gz HWQGGHZUJSAQAC-UHFFFAOYSA-N 0 0 406.334 5.697 40 0 HKABRN Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2c(C)cccc2C)cc1 ZINC000006845715 569334817 /nfs/dbraw/zinc/33/48/17/569334817.db2.gz NYVIPWPRQGUUMH-UHFFFAOYSA-N 0 0 417.933 5.800 40 0 HKABRN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000006845815 569334788 /nfs/dbraw/zinc/33/47/88/569334788.db2.gz ZVXKUDHVHVEGKT-INIZCTEOSA-N 0 0 409.938 5.999 40 0 HKABRN Cc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000006845823 569334803 /nfs/dbraw/zinc/33/48/03/569334803.db2.gz ZVXKUDHVHVEGKT-MRXNPFEDSA-N 0 0 409.938 5.999 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(NC(=O)c4ccccc4)cc3)o2)cc1C ZINC000006846291 569334878 /nfs/dbraw/zinc/33/48/78/569334878.db2.gz LRWWSXJNDDGMAA-UHFFFAOYSA-N 0 0 410.473 6.068 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1Cl ZINC000006846335 557726683 /nfs/dbraw/zinc/72/66/83/557726683.db2.gz VYPPVTRRTGVQSK-UHFFFAOYSA-N 0 0 410.351 5.347 40 0 HKABRN COc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1Br ZINC000006846838 524449815 /nfs/dbraw/zinc/44/98/15/524449815.db2.gz CWZBCTOBIZLGKM-XVNBXDOJSA-N 0 0 401.087 5.416 40 0 HKABRN COc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1Br ZINC000006846852 557726686 /nfs/dbraw/zinc/72/66/86/557726686.db2.gz HGPNXWUSIPUQJM-UHFFFAOYSA-N 0 0 418.331 5.523 40 0 HKABRN COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1Br ZINC000006846892 557726672 /nfs/dbraw/zinc/72/66/72/557726672.db2.gz TUWGUQGQVJYVBP-UHFFFAOYSA-N 0 0 405.075 5.025 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br ZINC000006846916 557726696 /nfs/dbraw/zinc/72/66/96/557726696.db2.gz XRFRUVMXYFBDQC-UHFFFAOYSA-N 0 0 412.283 5.289 40 0 HKABRN COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1Br ZINC000006846940 557726656 /nfs/dbraw/zinc/72/66/56/557726656.db2.gz ZXFBVDDFISUPRK-UHFFFAOYSA-N 0 0 406.663 5.623 40 0 HKABRN COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1Br ZINC000006846943 557726688 /nfs/dbraw/zinc/72/66/88/557726688.db2.gz HOLKWOFZDVKTLE-UHFFFAOYSA-N 0 0 406.663 5.623 40 0 HKABRN COc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1Br ZINC000006846954 557726647 /nfs/dbraw/zinc/72/66/47/557726647.db2.gz UEWHRDIAFRRGAJ-UHFFFAOYSA-N 0 0 412.283 5.289 40 0 HKABRN COc1ccc(NC(=O)Nc2ccc(F)cc2)cc1NC(=O)Nc1ccc(F)cc1 ZINC000006847145 524579666 /nfs/dbraw/zinc/57/96/66/524579666.db2.gz KPPNNNBNNIOWIV-UHFFFAOYSA-N 0 0 412.396 5.261 40 0 HKABRN COc1ccc(NC(=O)c2cccc(Cl)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000006847152 524641103 /nfs/dbraw/zinc/64/11/03/524641103.db2.gz ZSROSZCYIFORCK-UHFFFAOYSA-N 0 0 415.276 5.507 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000006852964 557726829 /nfs/dbraw/zinc/72/68/29/557726829.db2.gz OKWAMYUQJJCLMG-ALHSRBLQSA-N 0 0 408.369 5.736 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c(C)c1 ZINC000006858579 569334875 /nfs/dbraw/zinc/33/48/75/569334875.db2.gz DBCOLSDZBKYEKX-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN CC(C)N(Cc1ccccc1)c1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000006858920 557727103 /nfs/dbraw/zinc/72/71/03/557727103.db2.gz WZNZHWNBWXLUEC-UHFFFAOYSA-N 0 0 418.544 6.503 40 0 HKABRN Cc1ccc2oc(-c3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3)nc2c1 ZINC000006860169 560747518 /nfs/dbraw/zinc/74/75/18/560747518.db2.gz ZTFFMUVDNUBLMO-UHFFFAOYSA-N 0 0 412.876 6.862 40 0 HKABRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(C)c(Cl)c4)c3)oc2c1 ZINC000006860177 560747562 /nfs/dbraw/zinc/74/75/62/560747562.db2.gz SOUNBVITZKBGPZ-UHFFFAOYSA-N 0 0 411.288 6.671 40 0 HKABRN Cc1ccc2nc(-c3ccc(NC(=O)COc4cccc5ccccc54)cc3)oc2c1 ZINC000006860179 560747565 /nfs/dbraw/zinc/74/75/65/560747565.db2.gz HGHQVTXGTLPCOZ-UHFFFAOYSA-N 0 0 408.457 5.974 40 0 HKABRN Cc1cccc(OCC(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1 ZINC000006860488 560747549 /nfs/dbraw/zinc/74/75/49/560747549.db2.gz KCOJSEHHEVWDCQ-UHFFFAOYSA-N 0 0 414.509 5.178 40 0 HKABRN CCc1cccc2c(SCC(=O)Nc3ncc(C)s3)nc(-c3ccccc3)nc12 ZINC000006860558 560634374 /nfs/dbraw/zinc/63/43/74/560634374.db2.gz AFLDSYZWVRENND-UHFFFAOYSA-N 0 0 420.563 5.355 40 0 HKABRN CCc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000006860767 569280287 /nfs/dbraw/zinc/28/02/87/569280287.db2.gz ZCRBFQNCWUOPAE-UHFFFAOYSA-N 0 0 421.327 7.023 40 0 HKABRN COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 ZINC000006860777 560747569 /nfs/dbraw/zinc/74/75/69/560747569.db2.gz QQRKJHOEEWPZKA-UHFFFAOYSA-N 0 0 408.457 6.217 40 0 HKABRN COc1ccc(-c2csc(NC(=O)c3ccccc3C)n2)cc1Br ZINC000006861043 569334833 /nfs/dbraw/zinc/33/48/33/569334833.db2.gz SHSGQHJOYYOXOE-UHFFFAOYSA-N 0 0 403.301 5.142 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1)OCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000006861724 560747515 /nfs/dbraw/zinc/74/75/15/560747515.db2.gz DYDAXVYADLDPQU-IZZDOVSWSA-N 0 0 407.680 6.663 40 0 HKABRN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000006861797 557727435 /nfs/dbraw/zinc/72/74/35/557727435.db2.gz BVKIVHNRDTZDQK-UHFFFAOYSA-N 0 0 401.076 6.813 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000006861828 557727448 /nfs/dbraw/zinc/72/74/48/557727448.db2.gz KEEZWVAZRBLZAR-UHFFFAOYSA-N 0 0 401.076 6.813 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000006861865 560747535 /nfs/dbraw/zinc/74/75/35/560747535.db2.gz 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Cc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1Cl ZINC000006866162 569334869 /nfs/dbraw/zinc/33/48/69/569334869.db2.gz BHDFWOJDOJIWGS-XKZIYDEJSA-N 0 0 403.865 5.572 40 0 HKABRN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc5c(c4)OCO5)c3)oc2c(C)c1 ZINC000006866464 560747657 /nfs/dbraw/zinc/74/76/57/560747657.db2.gz RBIGYONPEICXQO-UHFFFAOYSA-N 0 0 400.434 5.401 40 0 HKABRN Cc1ccc2nc(-c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3Cl)oc2c1 ZINC000006866982 560747634 /nfs/dbraw/zinc/74/76/34/560747634.db2.gz AGCBVSJZZUCLCS-UHFFFAOYSA-N 0 0 406.825 5.438 40 0 HKABRN Cc1cccc(COc2ccc(/C=C3/N=C(c4ccc(C)c(Cl)c4)OC3=O)cc2)c1 ZINC000006867422 569334934 /nfs/dbraw/zinc/33/49/34/569334934.db2.gz QJSFKXWRRGQXTK-YDZHTSKRSA-N 0 0 417.892 5.880 40 0 HKABRN Cc1ccc(C2=N/C(=C/c3ccc(OCc4ccccc4C)cc3)C(=O)O2)cc1Cl ZINC000006868374 569334937 /nfs/dbraw/zinc/33/49/37/569334937.db2.gz ONJOBHFGZICDCQ-YDZHTSKRSA-N 0 0 417.892 5.880 40 0 HKABRN CCOc1cc(CNCc2ccccn2)cc(Cl)c1OCc1ccccc1Cl ZINC000006870233 557727712 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CCc1ccc(NCc2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 ZINC000006942829 569335249 /nfs/dbraw/zinc/33/52/49/569335249.db2.gz WWDPEMZQPZEZPD-UHFFFAOYSA-N 0 0 408.929 5.840 40 0 HKABRN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000006943090 557730992 /nfs/dbraw/zinc/73/09/92/557730992.db2.gz CETMEMOCWSZBLX-UHFFFAOYSA-N 0 0 402.563 6.508 40 0 HKABRN CCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)c2C)cc1 ZINC000006943738 569335290 /nfs/dbraw/zinc/33/52/90/569335290.db2.gz VUUHLCSOWLXVLR-BUVRLJJBSA-N 0 0 413.521 5.058 40 0 HKABRN CCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000006943746 569335282 /nfs/dbraw/zinc/33/52/82/569335282.db2.gz DZIDONJKABUKQO-HYARGMPZSA-N 0 0 419.912 5.407 40 0 HKABRN CCn1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)c2ccccc21 ZINC000006948126 569335494 /nfs/dbraw/zinc/33/54/94/569335494.db2.gz MMCVIXGZBMXUNJ-IZSQXYTLSA-N 0 0 405.523 5.294 40 0 HKABRN CN(C)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000006948581 569335489 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CCN1C(=O)S[C@H](Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)C1=O ZINC000006952895 559229042 /nfs/dbraw/zinc/22/90/42/559229042.db2.gz JCBWLGWWCAVWHL-QGZVFWFLSA-N 0 0 410.322 5.199 40 0 HKABRN CCN1C(=O)S[C@H](Cc2ccc(OCc3cccc4ccccc43)c(OC)c2)C1=O ZINC000006952903 569335596 /nfs/dbraw/zinc/33/55/96/569335596.db2.gz KXOVEMHYMOWTHM-JOCHJYFZSA-N 0 0 421.518 5.054 40 0 HKABRN COc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000006953580 569335696 /nfs/dbraw/zinc/33/56/96/569335696.db2.gz BDABSFGSPFFSBJ-QINSGFPZSA-N 0 0 411.383 5.050 40 0 HKABRN CCN1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N/c1ccc(OC)cc1 ZINC000006954371 569335693 /nfs/dbraw/zinc/33/56/93/569335693.db2.gz DZXMPEJAWKPOGB-ASAQIREPSA-N 0 0 424.566 5.760 40 0 HKABRN CCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)S/C1=N/c1ccc(OC)cc1 ZINC000006954390 569335737 /nfs/dbraw/zinc/33/57/37/569335737.db2.gz NBLWAINCENAPBH-CKAZZZDQSA-N 0 0 407.322 5.626 40 0 HKABRN CCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N/c1ccc(OC)cc1 ZINC000006954406 569335705 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Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2cn(CC#N)c3ccccc23)S1 ZINC000006960663 569335917 /nfs/dbraw/zinc/33/59/17/569335917.db2.gz YRUVMUSZMRTMDR-YBFXNURJSA-N 0 0 406.898 5.018 40 0 HKABRN C=CCn1cc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)c2ccccc21 ZINC000006960664 569335947 /nfs/dbraw/zinc/33/59/47/569335947.db2.gz KXIASOBLSBRDPY-UDWIEESQSA-N 0 0 407.926 5.681 40 0 HKABRN CCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1 ZINC000006960905 569336054 /nfs/dbraw/zinc/33/60/54/569336054.db2.gz VDSZHEJISIKGBX-UHFFFAOYSA-N 0 0 424.928 5.677 40 0 HKABRN CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1 ZINC000006960911 569336035 /nfs/dbraw/zinc/33/60/35/569336035.db2.gz OTWXWIDIDNVBCM-UHFFFAOYSA-N 0 0 424.928 5.677 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000006960914 569336047 /nfs/dbraw/zinc/33/60/47/569336047.db2.gz KPNHGAWJAKMYJM-UHFFFAOYSA-N 0 0 410.901 5.368 40 0 HKABRN CCOc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccccc1 ZINC000006960922 569336060 /nfs/dbraw/zinc/33/60/60/569336060.db2.gz 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CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000006961873 569336180 /nfs/dbraw/zinc/33/61/80/569336180.db2.gz RIGXTAKSZQXERE-VBKFSLOCSA-N 0 0 410.395 5.803 40 0 HKABRN CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c2ccccc12 ZINC000006961890 569336254 /nfs/dbraw/zinc/33/62/54/569336254.db2.gz AFMBEKNVBWZQTF-LPYMAVHISA-N 0 0 414.486 5.347 40 0 HKABRN CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000006961989 569336285 /nfs/dbraw/zinc/33/62/85/569336285.db2.gz YISRDFIHYHAAIJ-LICLKQGHSA-N 0 0 408.306 5.629 40 0 HKABRN Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1 ZINC000006962108 569336267 /nfs/dbraw/zinc/33/62/67/569336267.db2.gz DXCLHQBBRVADCY-LDADJPATSA-N 0 0 409.411 5.659 40 0 HKABRN Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1ccccc1 ZINC000006962128 569336294 /nfs/dbraw/zinc/33/62/94/569336294.db2.gz ILKCVYBAWDTEII-LPYMAVHISA-N 0 0 413.502 5.202 40 0 HKABRN Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccn1 ZINC000006962553 569336288 /nfs/dbraw/zinc/33/62/88/569336288.db2.gz WLDHJWMVTNUADE-BOPFTXTBSA-N 0 0 410.399 5.054 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000006962720 560748804 /nfs/dbraw/zinc/74/88/04/560748804.db2.gz DEJIPKZMAJLOOY-UHFFFAOYSA-N 0 0 408.910 6.268 40 0 HKABRN CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(C)cc3)cc2)cc1 ZINC000006963036 569336286 /nfs/dbraw/zinc/33/62/86/569336286.db2.gz PDPZHBVHZKGCBX-SILNSSARSA-N 0 0 414.530 6.091 40 0 HKABRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000006963435 569336364 /nfs/dbraw/zinc/33/63/64/569336364.db2.gz HWAASUASXLAMNF-LPYMAVHISA-N 0 0 419.912 5.462 40 0 HKABRN Cc1cc(/C=C2\c3ccccc3N(c3ccccc3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000006963439 569336361 /nfs/dbraw/zinc/33/63/61/569336361.db2.gz MDSSKQRSYPPMMK-OVVQPSECSA-N 0 0 418.540 6.930 40 0 HKABRN Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O ZINC000006963654 569336404 /nfs/dbraw/zinc/33/64/04/569336404.db2.gz BAYWKWLFWBIFJZ-HYARGMPZSA-N 0 0 417.534 5.094 40 0 HKABRN Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1-c1ccc(Br)c(C)c1 ZINC000006963729 569336420 /nfs/dbraw/zinc/33/64/20/569336420.db2.gz PGDGTXIHFYVUNP-XDHOZWIPSA-N 0 0 407.311 5.658 40 0 HKABRN CCOc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1OCC ZINC000006964165 569336421 /nfs/dbraw/zinc/33/64/21/569336421.db2.gz BNJIOBUEJRTCHH-XDHOZWIPSA-N 0 0 416.930 5.337 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c(C)c1 ZINC000006964495 557731327 /nfs/dbraw/zinc/73/13/27/557731327.db2.gz FPZGOUZQIFGHQF-UHFFFAOYSA-N 0 0 421.488 5.049 40 0 HKABRN CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O ZINC000006964614 569336476 /nfs/dbraw/zinc/33/64/76/569336476.db2.gz DSGGDUNMZUBEFL-LPYMAVHISA-N 0 0 414.486 5.347 40 0 HKABRN CCOc1ccc2ccccc2c1C[C@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000006964724 569336503 /nfs/dbraw/zinc/33/65/03/569336503.db2.gz HNQVIJNGSPFVJC-HXUWFJFHSA-N 0 0 411.910 5.703 40 0 HKABRN CCOc1ccc2ccccc2c1C[C@@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000006964728 569336442 /nfs/dbraw/zinc/33/64/42/569336442.db2.gz HNQVIJNGSPFVJC-FQEVSTJZSA-N 0 0 411.910 5.703 40 0 HKABRN CCOc1cccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 ZINC000006964820 560748893 /nfs/dbraw/zinc/74/88/93/560748893.db2.gz CYGZCQGNRFBCSN-UHFFFAOYSA-N 0 0 408.910 6.268 40 0 HKABRN CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(C)cc3)cc2)c1 ZINC000006964824 569336472 /nfs/dbraw/zinc/33/64/72/569336472.db2.gz QKZXTIAHXMQUIE-HKWRFOASSA-N 0 0 414.530 6.091 40 0 HKABRN COc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000006964951 569336474 /nfs/dbraw/zinc/33/64/74/569336474.db2.gz DDXQYZOIDKUMAQ-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)c(C)c1 ZINC000006964957 569336506 /nfs/dbraw/zinc/33/65/06/569336506.db2.gz KSQJRDZCLWDSLZ-UHFFFAOYSA-N 0 0 408.929 5.895 40 0 HKABRN Cc1ccc(NCc2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)c(C)c1 ZINC000006964962 569336499 /nfs/dbraw/zinc/33/64/99/569336499.db2.gz RPJHJWBHXXHKBM-UHFFFAOYSA-N 0 0 408.929 5.895 40 0 HKABRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000006964997 569336522 /nfs/dbraw/zinc/33/65/22/569336522.db2.gz GARJZUMIXSHWAY-FYJGNVAPSA-N 0 0 419.912 5.462 40 0 HKABRN Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000006965008 569336467 /nfs/dbraw/zinc/33/64/67/569336467.db2.gz QAPUBBUWKXSLMA-ATVHPVEESA-N 0 0 409.411 5.659 40 0 HKABRN Cc1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)c1 ZINC000006965014 569336494 /nfs/dbraw/zinc/33/64/94/569336494.db2.gz HXWARHJLUADNIY-LPYMAVHISA-N 0 0 413.502 5.202 40 0 HKABRN CCOc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000006965133 569336514 /nfs/dbraw/zinc/33/65/14/569336514.db2.gz NMEHABLPINXPCT-LICLKQGHSA-N 0 0 408.306 5.629 40 0 HKABRN CCOc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000006965135 569336481 /nfs/dbraw/zinc/33/64/81/569336481.db2.gz MYVOBLOVJNUFMD-RQZCQDPDSA-N 0 0 408.306 5.629 40 0 HKABRN COc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000006965547 569336469 /nfs/dbraw/zinc/33/64/69/569336469.db2.gz AZHRSGRYNXLDSR-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN Cc1ccc(C)c(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 ZINC000006965550 569336458 /nfs/dbraw/zinc/33/64/58/569336458.db2.gz CGYZPIWIOBQCLB-UHFFFAOYSA-N 0 0 408.929 5.895 40 0 HKABRN Cc1ccc(C)c(NCc2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)c1 ZINC000006965552 569336528 /nfs/dbraw/zinc/33/65/28/569336528.db2.gz JZFUXJPWPDCTQQ-UHFFFAOYSA-N 0 0 408.929 5.895 40 0 HKABRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2cccc(C)c2)cc1 ZINC000006966134 569336516 /nfs/dbraw/zinc/33/65/16/569336516.db2.gz LNDSMEYBONLOLC-MUUNZHRXSA-N 0 0 418.540 6.669 40 0 HKABRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000006966135 569336451 /nfs/dbraw/zinc/33/64/51/569336451.db2.gz QGDGWXMGESHRHX-HHHXNRCGSA-N 0 0 404.513 6.361 40 0 HKABRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2cccs2)cc1 ZINC000006966136 557731345 /nfs/dbraw/zinc/73/13/45/557731345.db2.gz OKRXHBVZLVRSEQ-RUZDIDTESA-N 0 0 410.542 6.422 40 0 HKABRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2cccc(C)c2)cc1 ZINC000006966137 569336558 /nfs/dbraw/zinc/33/65/58/569336558.db2.gz LNDSMEYBONLOLC-NDEPHWFRSA-N 0 0 418.540 6.669 40 0 HKABRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000006966138 569336626 /nfs/dbraw/zinc/33/66/26/569336626.db2.gz QGDGWXMGESHRHX-MHZLTWQESA-N 0 0 404.513 6.361 40 0 HKABRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2cccs2)cc1 ZINC000006966139 557731358 /nfs/dbraw/zinc/73/13/58/557731358.db2.gz OKRXHBVZLVRSEQ-VWLOTQADSA-N 0 0 410.542 6.422 40 0 HKABRN Cc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 ZINC000006966322 569336617 /nfs/dbraw/zinc/33/66/17/569336617.db2.gz YOGAJHAQADHRCG-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN COc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000006966323 569336560 /nfs/dbraw/zinc/33/65/60/569336560.db2.gz VMJYABDZVJRCPQ-UHFFFAOYSA-N 0 0 410.901 5.287 40 0 HKABRN COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000006966325 569336568 /nfs/dbraw/zinc/33/65/68/569336568.db2.gz BGWJSKPLGUDNRA-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN Cc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1 ZINC000006966411 569336594 /nfs/dbraw/zinc/33/65/94/569336594.db2.gz DSVAZRIBNIPLKR-MUUNZHRXSA-N 0 0 418.540 6.669 40 0 HKABRN Cc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1 ZINC000006966452 569336573 /nfs/dbraw/zinc/33/65/73/569336573.db2.gz DSVAZRIBNIPLKR-NDEPHWFRSA-N 0 0 418.540 6.669 40 0 HKABRN Cc1cc(/C=C2\c3ccccc3N(c3ccccc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000006966490 569336591 /nfs/dbraw/zinc/33/65/91/569336591.db2.gz OOOYGQMTWRAARD-NLRVBDNBSA-N 0 0 404.513 6.621 40 0 HKABRN Cc1cc(/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000006966494 569336556 /nfs/dbraw/zinc/33/65/56/569336556.db2.gz AUWSKFGTPODFRW-BKUYFWCQSA-N 0 0 405.885 5.153 40 0 HKABRN Cc1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000006966517 569336592 /nfs/dbraw/zinc/33/65/92/569336592.db2.gz AAEPKYXRAUSVQD-DEDYPNTBSA-N 0 0 408.910 5.676 40 0 HKABRN Cc1ccc(-n2cccc2/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1 ZINC000006966520 569336598 /nfs/dbraw/zinc/33/65/98/569336598.db2.gz OIWIIQWUQUNTBT-DEDYPNTBSA-N 0 0 407.926 5.639 40 0 HKABRN COc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000006966689 569336550 /nfs/dbraw/zinc/33/65/50/569336550.db2.gz DPQGIZYOTDAHQZ-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1C ZINC000006966692 569336584 /nfs/dbraw/zinc/33/65/84/569336584.db2.gz OWDOEOFVIVUUBJ-UHFFFAOYSA-N 0 0 408.929 5.895 40 0 HKABRN Cc1ccc(NCc2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1C ZINC000006966694 569336605 /nfs/dbraw/zinc/33/66/05/569336605.db2.gz JTQWXMPMZRFXTG-UHFFFAOYSA-N 0 0 408.929 5.895 40 0 HKABRN Cc1cc(/C=C2\c3ccccc3N(c3ccccc3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000006966743 569336559 /nfs/dbraw/zinc/33/65/59/569336559.db2.gz TWRMPNWPCQEDKF-OVVQPSECSA-N 0 0 418.540 6.930 40 0 HKABRN Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000006966763 569336563 /nfs/dbraw/zinc/33/65/63/569336563.db2.gz UHWWYPWYCBDMGC-ATVHPVEESA-N 0 0 409.411 5.659 40 0 HKABRN Cc1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1C ZINC000006966768 569336609 /nfs/dbraw/zinc/33/66/09/569336609.db2.gz NIQFAPXTVRXSQZ-LPYMAVHISA-N 0 0 413.502 5.202 40 0 HKABRN COc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000006966781 569336566 /nfs/dbraw/zinc/33/65/66/569336566.db2.gz UGEVVOIWTASFOP-UHFFFAOYSA-N 0 0 410.901 5.287 40 0 HKABRN COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000006966783 569336628 /nfs/dbraw/zinc/33/66/28/569336628.db2.gz ZDGAJYGULGNYEV-UHFFFAOYSA-N 0 0 410.901 5.287 40 0 HKABRN COc1ccc(NCc2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 ZINC000006966784 569336622 /nfs/dbraw/zinc/33/66/22/569336622.db2.gz LYFAXTVHKYBVGC-UHFFFAOYSA-N 0 0 410.901 5.287 40 0 HKABRN Cc1ccc(-n2cccc2/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000006966834 569336613 /nfs/dbraw/zinc/33/66/13/569336613.db2.gz GSVJMIUKMRPFTJ-XDHOZWIPSA-N 0 0 412.276 5.190 40 0 HKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000006966843 569336607 /nfs/dbraw/zinc/33/66/07/569336607.db2.gz JROQKGQYFJNXIJ-UHFFFAOYSA-N 0 0 404.941 5.129 40 0 HKABRN COc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)cc1OC ZINC000006967126 560748937 /nfs/dbraw/zinc/74/89/37/560748937.db2.gz RRSIXAMHTXYYBR-UHFFFAOYSA-N 0 0 409.294 5.386 40 0 HKABRN Cc1cc(/C=C2\NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000006967191 569336576 /nfs/dbraw/zinc/33/65/76/569336576.db2.gz XJELJGGBHIJTMY-XKZIYDEJSA-N 0 0 419.912 5.149 40 0 HKABRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000006967200 569336555 /nfs/dbraw/zinc/33/65/55/569336555.db2.gz JQDVJSOWNUKYRJ-OEAKJJBVSA-N 0 0 413.521 5.112 40 0 HKABRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000006967203 569336570 /nfs/dbraw/zinc/33/65/70/569336570.db2.gz MKCXYVVDONMVOI-ZVHZXABRSA-N 0 0 413.521 5.112 40 0 HKABRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000006967205 569336586 /nfs/dbraw/zinc/33/65/86/569336586.db2.gz JZZGZGWLSAGBBS-ZVHZXABRSA-N 0 0 413.521 5.112 40 0 HKABRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000006967215 569336624 /nfs/dbraw/zinc/33/66/24/569336624.db2.gz IEZFLEWTPJWMSW-OEAKJJBVSA-N 0 0 413.521 5.112 40 0 HKABRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000006967223 569336696 /nfs/dbraw/zinc/33/66/96/569336696.db2.gz XWHZTIGRPVESJZ-OEAKJJBVSA-N 0 0 413.521 5.112 40 0 HKABRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccccc1Cl ZINC000006967224 569336695 /nfs/dbraw/zinc/33/66/95/569336695.db2.gz AHZOMYWYYGSUFF-FYJGNVAPSA-N 0 0 419.912 5.149 40 0 HKABRN Cc1cccc(CN2C(=O)N/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)c1 ZINC000006967298 569336685 /nfs/dbraw/zinc/33/66/85/569336685.db2.gz MLIVGPVOULLUDI-BUVRLJJBSA-N 0 0 421.500 5.091 40 0 HKABRN Cc1cccc(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)c1 ZINC000006967695 569336689 /nfs/dbraw/zinc/33/66/89/569336689.db2.gz KHEGOAUHFBKNML-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN COc1cc(CNc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000006967697 569336690 /nfs/dbraw/zinc/33/66/90/569336690.db2.gz KMPLUOXRDWGYNT-UHFFFAOYSA-N 0 0 410.901 5.287 40 0 HKABRN COc1cc(CNc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000006967701 569336670 /nfs/dbraw/zinc/33/66/70/569336670.db2.gz CDSISAOEYYUWJI-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN Cc1cccc(-n2cccc2/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)c1 ZINC000006967855 569336679 /nfs/dbraw/zinc/33/66/79/569336679.db2.gz MCQSZFSNIOUTFU-DEDYPNTBSA-N 0 0 407.926 5.639 40 0 HKABRN COc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000006968326 569336649 /nfs/dbraw/zinc/33/66/49/569336649.db2.gz DIDJASMOFPBKJH-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN Cc1ccc(NC(=O)COc2ccc(CNc3cccc(C)c3C)cc2)cc1Cl ZINC000006968331 569336668 /nfs/dbraw/zinc/33/66/68/569336668.db2.gz FIZTYDNVVNXFDG-UHFFFAOYSA-N 0 0 408.929 5.895 40 0 HKABRN Cc1ccc(NC(=O)COc2cccc(CNc3cccc(C)c3C)c2)cc1Cl ZINC000006968335 569336687 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HKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000007080058 560749657 /nfs/dbraw/zinc/74/96/57/560749657.db2.gz AAINAEASRNFQGR-KRWDZBQOSA-N 0 0 409.913 6.663 40 0 HKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 ZINC000007080068 560749630 /nfs/dbraw/zinc/74/96/30/560749630.db2.gz KQWDPWYEGPKLQO-SFHVURJKSA-N 0 0 414.505 6.334 40 0 HKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1 ZINC000007080070 560749636 /nfs/dbraw/zinc/74/96/36/560749636.db2.gz AQABTKAAZHPUOH-SFHVURJKSA-N 0 0 414.505 6.334 40 0 HKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000007080073 560749626 /nfs/dbraw/zinc/74/96/26/560749626.db2.gz DWXWPRQOFWIBDV-KRWDZBQOSA-N 0 0 421.924 6.102 40 0 HKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1 ZINC000007080093 560749680 /nfs/dbraw/zinc/74/96/80/560749680.db2.gz WFDUZIXYFPEPQT-SFHVURJKSA-N 0 0 414.505 6.334 40 0 HKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1 ZINC000007080098 560749671 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HKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 ZINC000007080115 560749761 /nfs/dbraw/zinc/74/97/61/560749761.db2.gz LNDANBKMSQKNBV-INIZCTEOSA-N 0 0 401.466 5.421 40 0 HKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1 ZINC000007080119 560749758 /nfs/dbraw/zinc/74/97/58/560749758.db2.gz PSOTUBSAMKOWEJ-SFHVURJKSA-N 0 0 414.509 5.260 40 0 HKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 ZINC000007080121 560749765 /nfs/dbraw/zinc/74/97/65/560749765.db2.gz KHHVIBJTZNBVMO-INIZCTEOSA-N 0 0 418.472 5.091 40 0 HKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000007080136 560749743 /nfs/dbraw/zinc/74/97/43/560749743.db2.gz XMRBJQWPBFEFIV-SFHVURJKSA-N 0 0 402.494 5.470 40 0 HKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)cc1 ZINC000007080139 560749771 /nfs/dbraw/zinc/74/97/71/560749771.db2.gz SZMVXWHLQKKLDM-SFHVURJKSA-N 0 0 416.521 5.778 40 0 HKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000007080142 560749749 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O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1cccc2ccccc21 ZINC000007099098 560749747 /nfs/dbraw/zinc/74/97/47/560749747.db2.gz BJRFZWJLZZRIMC-UHFFFAOYSA-N 0 0 410.498 5.726 40 0 HKABRN Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C1(CCC2)SCCS1 ZINC000007156891 569031621 /nfs/dbraw/zinc/03/16/21/569031621.db2.gz NYQDOFSAIMVLBM-ZDUSSCGKSA-N 0 0 417.571 5.678 40 0 HKABRN Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C1(CCC2)SCCS1 ZINC000007156893 569031623 /nfs/dbraw/zinc/03/16/23/569031623.db2.gz NYQDOFSAIMVLBM-CYBMUJFWSA-N 0 0 417.571 5.678 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000007161015 569336897 /nfs/dbraw/zinc/33/68/97/569336897.db2.gz WGGJLJKZHYZPJK-UHFFFAOYSA-N 0 0 415.946 5.727 40 0 HKABRN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3Cl)o2)cc1 ZINC000007161017 569336907 /nfs/dbraw/zinc/33/69/07/569336907.db2.gz QZLMVYZQDBBESI-UHFFFAOYSA-N 0 0 401.919 5.418 40 0 HKABRN Clc1ccc(OCc2nnc(SCc3ccc(Br)cc3)o2)cc1 ZINC000007193569 568474070 /nfs/dbraw/zinc/47/40/70/568474070.db2.gz 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CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)ccc21 ZINC000007504718 569337711 /nfs/dbraw/zinc/33/77/11/569337711.db2.gz JOMFIKMCIALJKM-SFHVURJKSA-N 0 0 414.549 6.518 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000007504740 569337723 /nfs/dbraw/zinc/33/77/23/569337723.db2.gz QCVRTIZGHHJDBF-UHFFFAOYSA-N 0 0 406.913 6.375 40 0 HKABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000007504810 569337709 /nfs/dbraw/zinc/33/77/09/569337709.db2.gz PZKOTOVSVYTIQU-DEOSSOPVSA-N 0 0 402.494 5.619 40 0 HKABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000007504811 569337693 /nfs/dbraw/zinc/33/76/93/569337693.db2.gz PZKOTOVSVYTIQU-XMMPIXPASA-N 0 0 402.494 5.619 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)ccc21 ZINC000007504998 569337703 /nfs/dbraw/zinc/33/77/03/569337703.db2.gz GSPYQMOQVMBIJB-QGZVFWFLSA-N 0 0 420.940 6.491 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)ccc21 ZINC000007504999 569337690 /nfs/dbraw/zinc/33/76/90/569337690.db2.gz GSPYQMOQVMBIJB-KRWDZBQOSA-N 0 0 420.940 6.491 40 0 HKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)CC1 ZINC000007505020 569337686 /nfs/dbraw/zinc/33/76/86/569337686.db2.gz HRKISSRVKWVYNW-QGZVFWFLSA-N 0 0 421.368 5.035 40 0 HKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)CC1 ZINC000007505021 569337720 /nfs/dbraw/zinc/33/77/20/569337720.db2.gz HRKISSRVKWVYNW-KRWDZBQOSA-N 0 0 421.368 5.035 40 0 HKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000007505047 569337694 /nfs/dbraw/zinc/33/76/94/569337694.db2.gz YRXIMFNOZTXYNV-GOSISDBHSA-N 0 0 414.977 5.062 40 0 HKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000007505048 569337726 /nfs/dbraw/zinc/33/77/26/569337726.db2.gz YRXIMFNOZTXYNV-SFHVURJKSA-N 0 0 414.977 5.062 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000007505056 569337679 /nfs/dbraw/zinc/33/76/79/569337679.db2.gz HXJMIRADTGIJLO-UHFFFAOYSA-N 0 0 416.590 6.530 40 0 HKABRN Clc1ccc(COc2ccc3ccccc3c2CNCc2ccco2)c(Cl)c1 ZINC000007523620 557744901 /nfs/dbraw/zinc/74/49/01/557744901.db2.gz JSOQPSUVVGFHNU-UHFFFAOYSA-N 0 0 412.316 6.608 40 0 HKABRN Clc1ccc(COc2ccc(Br)cc2CNCc2ccco2)cc1 ZINC000007523645 557744911 /nfs/dbraw/zinc/74/49/11/557744911.db2.gz SPOPXNLRQRMZAY-UHFFFAOYSA-N 0 0 406.707 5.564 40 0 HKABRN Clc1ccccc1COc1ccc(Br)cc1CNCc1ccco1 ZINC000007523649 557744914 /nfs/dbraw/zinc/74/49/14/557744914.db2.gz AEMSBJFDEUCCQW-UHFFFAOYSA-N 0 0 406.707 5.564 40 0 HKABRN CCOc1cc(CNCc2ccco2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000007523667 557744926 /nfs/dbraw/zinc/74/49/26/557744926.db2.gz JNCPQKOTSRHZOF-UHFFFAOYSA-N 0 0 406.309 5.854 40 0 HKABRN CCOc1cc(CNCc2ccco2)cc(Cl)c1OCc1ccccc1Cl ZINC000007523671 557744908 /nfs/dbraw/zinc/74/49/08/557744908.db2.gz NJBPVHJTIZPYGK-UHFFFAOYSA-N 0 0 406.309 5.854 40 0 HKABRN COc1ccc(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000007597511 557750041 /nfs/dbraw/zinc/75/00/41/557750041.db2.gz BYGJCDDWAMBIJQ-UHFFFAOYSA-N 0 0 411.910 5.310 40 0 HKABRN CCCc1n[nH]c(=S)n1NCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000007601295 560751709 /nfs/dbraw/zinc/75/17/09/560751709.db2.gz UREXPPMDXOYRGZ-UHFFFAOYSA-N 0 0 404.539 5.369 40 0 HKABRN CCCc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000007601338 560751656 /nfs/dbraw/zinc/75/16/56/560751656.db2.gz TZEQJHNJLLFOGU-UHFFFAOYSA-N 0 0 406.914 5.008 40 0 HKABRN CCCc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1F ZINC000007601339 560751716 /nfs/dbraw/zinc/75/17/16/560751716.db2.gz LVLULSAOBNJZGO-UHFFFAOYSA-N 0 0 406.914 5.008 40 0 HKABRN CCCc1n[nH]c(=S)n1NCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000007601343 560751739 /nfs/dbraw/zinc/75/17/39/560751739.db2.gz YSCVBAGCCZYJPF-UHFFFAOYSA-N 0 0 422.529 5.508 40 0 HKABRN CCCc1n[nH]c(=S)n1NCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000007601345 560751652 /nfs/dbraw/zinc/75/16/52/560751652.db2.gz HUTFFHAMVDBTSC-UHFFFAOYSA-N 0 0 422.529 5.508 40 0 HKABRN Fc1ccc(COc2ccccc2CNn2c(=S)[nH]nc2-c2ccccc2)cc1 ZINC000007601475 560751649 /nfs/dbraw/zinc/75/16/49/560751649.db2.gz QFUGLOJPRPGKTC-UHFFFAOYSA-N 0 0 406.486 5.069 40 0 HKABRN Fc1ccccc1COc1ccccc1CNn1c(=S)[nH]nc1-c1ccccc1 ZINC000007601477 560751748 /nfs/dbraw/zinc/75/17/48/560751748.db2.gz XYCLZAMCJPELFC-UHFFFAOYSA-N 0 0 406.486 5.069 40 0 HKABRN Fc1ccc(COc2cccc(CNn3c(=S)[nH]nc3-c3ccccc3)c2)cc1 ZINC000007601489 560751696 /nfs/dbraw/zinc/75/16/96/560751696.db2.gz YSDGKSNRFNBFMQ-UHFFFAOYSA-N 0 0 406.486 5.069 40 0 HKABRN Fc1ccccc1COc1cccc(CNn2c(=S)[nH]nc2-c2ccccc2)c1 ZINC000007601490 560751821 /nfs/dbraw/zinc/75/18/21/560751821.db2.gz WAIKZWUWDFXJHS-UHFFFAOYSA-N 0 0 406.486 5.069 40 0 HKABRN Fc1ccc(-c2ccc(CNn3c(=S)[nH]nc3-c3ccccc3)o2)cc1Cl ZINC000007602317 560751817 /nfs/dbraw/zinc/75/18/17/560751817.db2.gz SNVJWDQXEHNURZ-UHFFFAOYSA-N 0 0 400.866 5.404 40 0 HKABRN Cc1n[nH]c(=S)n1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000007602681 560751847 /nfs/dbraw/zinc/75/18/47/560751847.db2.gz SWZXUDAHLLUYBD-UHFFFAOYSA-N 0 0 410.930 5.378 40 0 HKABRN Cc1n[nH]c(=S)n1NCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000007602682 560751819 /nfs/dbraw/zinc/75/18/19/560751819.db2.gz XNLZVHQJKQGWAV-UHFFFAOYSA-N 0 0 410.930 5.378 40 0 HKABRN O=C(Nc1ccccc1C(F)(F)F)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000007604334 569337875 /nfs/dbraw/zinc/33/78/75/569337875.db2.gz RKUJZBCBEBEYMA-UHFFFAOYSA-N 0 0 408.379 5.447 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000007604346 569337903 /nfs/dbraw/zinc/33/79/03/569337903.db2.gz MVLXEWMVBYMIJE-UHFFFAOYSA-N 0 0 404.853 5.090 40 0 HKABRN COc1ccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn32)cc1Cl ZINC000007604347 569337890 /nfs/dbraw/zinc/33/78/90/569337890.db2.gz BYPBCRFWCYPCNA-UHFFFAOYSA-N 0 0 404.853 5.090 40 0 HKABRN O=C(C(=O)N1CCC(Cc2ccccc2)CC1)c1c(-c2ccccc2)cc2ccccn21 ZINC000007604355 569337896 /nfs/dbraw/zinc/33/78/96/569337896.db2.gz FYPJHFPXTMNCOH-UHFFFAOYSA-N 0 0 422.528 5.270 40 0 HKABRN O=C(Nc1ccc(F)cc1F)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000007604400 569337878 /nfs/dbraw/zinc/33/78/78/569337878.db2.gz OOSPNGFWXVRXMO-UHFFFAOYSA-N 0 0 410.807 5.359 40 0 HKABRN O=C(Nc1c(F)cccc1F)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000007604402 569337874 /nfs/dbraw/zinc/33/78/74/569337874.db2.gz MCXOASUIHIHCNZ-UHFFFAOYSA-N 0 0 410.807 5.359 40 0 HKABRN COc1ccccc1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000007604403 569337876 /nfs/dbraw/zinc/33/78/76/569337876.db2.gz DTHXMBHUCCXVOU-UHFFFAOYSA-N 0 0 404.853 5.090 40 0 HKABRN COc1cccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)c1 ZINC000007604406 569337889 /nfs/dbraw/zinc/33/78/89/569337889.db2.gz MVKGTEICPAMTST-UHFFFAOYSA-N 0 0 404.853 5.090 40 0 HKABRN COc1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)cc1 ZINC000007604408 569337862 /nfs/dbraw/zinc/33/78/62/569337862.db2.gz ATZWLUCFVZNAHN-UHFFFAOYSA-N 0 0 404.853 5.090 40 0 HKABRN CCOc1ccccc1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000007604409 569337861 /nfs/dbraw/zinc/33/78/61/569337861.db2.gz QDLMMXIIGDGFPJ-UHFFFAOYSA-N 0 0 418.880 5.480 40 0 HKABRN CCOc1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)cc1 ZINC000007604410 569337865 /nfs/dbraw/zinc/33/78/65/569337865.db2.gz XYGGKCIKZALVPH-UHFFFAOYSA-N 0 0 418.880 5.480 40 0 HKABRN COc1ccc(C)cc1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000007604412 569337884 /nfs/dbraw/zinc/33/78/84/569337884.db2.gz WWTJXPWVAOGTGV-UHFFFAOYSA-N 0 0 418.880 5.398 40 0 HKABRN O=C(C(=O)N1CCc2ccccc2C1)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000007604422 569337893 /nfs/dbraw/zinc/33/78/93/569337893.db2.gz WIFRTWQGYUHLRS-UHFFFAOYSA-N 0 0 414.892 5.027 40 0 HKABRN Cc1nn2c(nc(C)cc2-c2ccc(Br)cc2)c1-c1ccc(Cl)cc1 ZINC000007604617 559254820 /nfs/dbraw/zinc/25/48/20/559254820.db2.gz INXDOPXCXXSAJM-UHFFFAOYSA-N 0 0 412.718 6.096 40 0 HKABRN COCc1nn2c(nc(C)cc2-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000007604621 569337922 /nfs/dbraw/zinc/33/79/22/569337922.db2.gz SCGSVJUBBYDSSO-UHFFFAOYSA-N 0 0 408.299 5.281 40 0 HKABRN Cc1cc(-c2ccc(Cl)cc2)n2nc(Cc3ccccc3)c(-c3ccccc3)c2n1 ZINC000007604629 569337963 /nfs/dbraw/zinc/33/79/63/569337963.db2.gz HWUZLTQQVQWILN-UHFFFAOYSA-N 0 0 409.920 6.616 40 0 HKABRN COc1ccc(Cl)cc1-c1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000007605090 559254485 /nfs/dbraw/zinc/25/44/85/559254485.db2.gz XAHVYWQDLPBTAI-UHFFFAOYSA-N 0 0 401.702 5.998 40 0 HKABRN COc1ccc(Cl)cc1-c1nc(SCc2ccc(Cl)cc2Cl)n[nH]1 ZINC000007605096 559255380 /nfs/dbraw/zinc/25/53/80/559255380.db2.gz RQQVXBMXERWHGA-UHFFFAOYSA-N 0 0 400.718 5.733 40 0 HKABRN CCn1c(SCc2cccc3ccccc32)nnc1-c1cc(Cl)ccc1OC ZINC000007605145 560751970 /nfs/dbraw/zinc/75/19/70/560751970.db2.gz GRWKSVVBYCVGKH-UHFFFAOYSA-N 0 0 409.942 6.073 40 0 HKABRN CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCc1cccc2ccccc21 ZINC000007605146 569337927 /nfs/dbraw/zinc/33/79/27/569337927.db2.gz RUPDBCLRJOEHEL-UHFFFAOYSA-N 0 0 419.550 5.352 40 0 HKABRN CCn1c(SCc2cccc3ccccc32)nnc1-c1cccc(NC(C)=O)c1 ZINC000007605148 569337917 /nfs/dbraw/zinc/33/79/17/569337917.db2.gz DZMAAPSVMKXQRS-UHFFFAOYSA-N 0 0 402.523 5.369 40 0 HKABRN CCCc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1CC ZINC000007605187 569337930 /nfs/dbraw/zinc/33/79/30/569337930.db2.gz LROVCWVDCLKUHG-UHFFFAOYSA-N 0 0 410.568 5.172 40 0 HKABRN O=C(COc1ccc(Cl)c2cccnc12)Nc1ccccc1Cc1ccccc1 ZINC000007612243 569295672 /nfs/dbraw/zinc/29/56/72/569295672.db2.gz BVLIHKYGELCWBN-UHFFFAOYSA-N 0 0 402.881 5.497 40 0 HKABRN Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000007623875 560751927 /nfs/dbraw/zinc/75/19/27/560751927.db2.gz PICDTQRTCSDNTA-UHFFFAOYSA-N 0 0 404.322 5.490 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000007649288 557753613 /nfs/dbraw/zinc/75/36/13/557753613.db2.gz JLTRQAMQKUPFNP-SFHVURJKSA-N 0 0 402.494 5.219 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000007649289 557753593 /nfs/dbraw/zinc/75/35/93/557753593.db2.gz JLTRQAMQKUPFNP-GOSISDBHSA-N 0 0 402.494 5.219 40 0 HKABRN CCOc1c(Br)cc(C(=O)Nc2cccc3ccccc32)cc1OC ZINC000007653931 560752018 /nfs/dbraw/zinc/75/20/18/560752018.db2.gz QBQFQRBBITZROZ-UHFFFAOYSA-N 0 0 400.272 5.262 40 0 HKABRN Cc1cc(C)cc(/N=c2\scc(-c3ccc4c(c3)OCCO4)n2C[C@@H]2CCCO2)c1 ZINC000007654655 557754035 /nfs/dbraw/zinc/75/40/35/557754035.db2.gz VXEQIPBJYUHMPD-NJGFXUCASA-N 0 0 422.550 5.016 40 0 HKABRN Cc1cc(C)cc(/N=c2\scc(-c3ccc4c(c3)OCCO4)n2C[C@H]2CCCO2)c1 ZINC000007654658 557754103 /nfs/dbraw/zinc/75/41/03/557754103.db2.gz VXEQIPBJYUHMPD-CPSPCKPPSA-N 0 0 422.550 5.016 40 0 HKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000007668534 557754742 /nfs/dbraw/zinc/75/47/42/557754742.db2.gz BOSDEBHTTJCTGL-UHFFFAOYSA-N 0 0 409.485 6.097 40 0 HKABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000007668639 557754730 /nfs/dbraw/zinc/75/47/30/557754730.db2.gz VACCPYGHUODRBP-UHFFFAOYSA-N 0 0 402.494 5.046 40 0 HKABRN O=C(c1ccccc1SCc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000007684761 557755986 /nfs/dbraw/zinc/75/59/86/557755986.db2.gz SONWOKIGINIDBB-UHFFFAOYSA-N 0 0 401.575 6.074 40 0 HKABRN COC(=O)c1cn(C(=O)c2ccccc2SCc2ccccc2)c2ccccc12 ZINC000007684770 557756053 /nfs/dbraw/zinc/75/60/53/557756053.db2.gz TZJSKXARXDNAJC-UHFFFAOYSA-N 0 0 401.487 5.409 40 0 HKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1SCc1ccccc1 ZINC000007684829 569338034 /nfs/dbraw/zinc/33/80/34/569338034.db2.gz GFRIBCYVHCVJEH-UHFFFAOYSA-N 0 0 411.526 7.024 40 0 HKABRN CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1SCc1ccccc1 ZINC000007684946 557756006 /nfs/dbraw/zinc/75/60/06/557756006.db2.gz FFXLYSTURWYDBN-UHFFFAOYSA-N 0 0 415.518 5.301 40 0 HKABRN CCOC(=O)c1c(NC(=O)CCSCc2ccccc2)sc2c1CCCC2 ZINC000007685725 557755981 /nfs/dbraw/zinc/75/59/81/557755981.db2.gz BUBBHSYVEIEZHO-UHFFFAOYSA-N 0 0 403.569 5.066 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 ZINC000007687191 557756195 /nfs/dbraw/zinc/75/61/95/557756195.db2.gz NXTJLJJXKZEOLI-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000007687241 557756218 /nfs/dbraw/zinc/75/62/18/557756218.db2.gz SQPVYVNHUZTBPM-UHFFFAOYSA-N 0 0 409.869 5.348 40 0 HKABRN O=C(c1cc(Cl)ccc1OCc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000007687476 557756181 /nfs/dbraw/zinc/75/61/81/557756181.db2.gz QMYYRNCPICLCGS-UHFFFAOYSA-N 0 0 419.952 6.014 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000007687536 557756245 /nfs/dbraw/zinc/75/62/45/557756245.db2.gz VGVZNMHLRVXKMB-UHFFFAOYSA-N 0 0 406.696 6.478 40 0 HKABRN COc1ccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1Cl ZINC000007687564 557756213 /nfs/dbraw/zinc/75/62/13/557756213.db2.gz MRXMPLKAZYMOKM-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN O=C(COc1ccc2ccccc2c1)Nc1nnc(SCc2ccccc2)s1 ZINC000007688074 557756246 /nfs/dbraw/zinc/75/62/46/557756246.db2.gz CDANTLKIZZCFTF-UHFFFAOYSA-N 0 0 407.520 5.001 40 0 HKABRN O=C(Nc1ccccc1C(F)(F)F)c1ccc(OCc2ccccc2Cl)cc1 ZINC000007699494 557756792 /nfs/dbraw/zinc/75/67/92/557756792.db2.gz VFAWPRYUNSMOCY-UHFFFAOYSA-N 0 0 405.803 6.190 40 0 HKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000007699499 557756879 /nfs/dbraw/zinc/75/68/79/557756879.db2.gz RGISQYDGKLDTCV-UHFFFAOYSA-N 0 0 405.803 6.190 40 0 HKABRN O=C(Nc1ccccc1-c1ccccc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000007699524 557756882 /nfs/dbraw/zinc/75/68/82/557756882.db2.gz NUTWQAKKIIPUAP-UHFFFAOYSA-N 0 0 413.904 6.838 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000007699553 557756838 /nfs/dbraw/zinc/75/68/38/557756838.db2.gz CCHRCCSAYDOMMZ-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)c1ccc(OCc2ccccc2Cl)cc1 ZINC000007699650 557756846 /nfs/dbraw/zinc/75/68/46/557756846.db2.gz CTMLPSVSVCZTQE-UHFFFAOYSA-N 0 0 406.696 6.478 40 0 HKABRN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(OCc2ccccc2Cl)cc1 ZINC000007699657 557756842 /nfs/dbraw/zinc/75/68/42/557756842.db2.gz BEVMPRAXFFUNJI-UHFFFAOYSA-N 0 0 406.696 6.478 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(OCc2ccccc2Cl)cc1 ZINC000007699662 557756876 /nfs/dbraw/zinc/75/68/76/557756876.db2.gz GICUCFODDXNOGX-UHFFFAOYSA-N 0 0 406.696 6.478 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000007699668 557756824 /nfs/dbraw/zinc/75/68/24/557756824.db2.gz IATOHUXRZOXDOG-UHFFFAOYSA-N 0 0 406.696 6.478 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000007699713 557756819 /nfs/dbraw/zinc/75/68/19/557756819.db2.gz UIRXWIWSZAPTSS-UHFFFAOYSA-N 0 0 409.869 5.348 40 0 HKABRN O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000007700111 557756904 /nfs/dbraw/zinc/75/69/04/557756904.db2.gz VNZUQJAXENAKKL-UHFFFAOYSA-N 0 0 419.952 6.014 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000007700230 557756860 /nfs/dbraw/zinc/75/68/60/557756860.db2.gz IUAKUOKFBBVQRZ-UHFFFAOYSA-N 0 0 406.696 6.478 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1Cl ZINC000007700271 557756893 /nfs/dbraw/zinc/75/68/93/557756893.db2.gz PLUKHNNUUBXAJI-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN COc1cc(OC)cc(C(=O)N2CC[C@@]3(Cl)CCCC[C@@H]3[C@@H]2c2ccccc2)c1 ZINC000007719385 560635978 /nfs/dbraw/zinc/63/59/78/560635978.db2.gz HLWRCSWXRBUKBS-GPXNEJASSA-N 0 0 413.945 5.459 40 0 HKABRN COc1cc(OC)cc(C(=O)N2CC[C@@]3(Cl)CCCC[C@H]3[C@@H]2c2ccccc2)c1 ZINC000007719387 560636005 /nfs/dbraw/zinc/63/60/05/560636005.db2.gz HLWRCSWXRBUKBS-FIXSFTCYSA-N 0 0 413.945 5.459 40 0 HKABRN Cc1ccc(-c2noc(CCC(=O)Nc3ccc(OCc4ccccc4)cc3)n2)cc1 ZINC000007752967 557759193 /nfs/dbraw/zinc/75/91/93/557759193.db2.gz JPDSOODOEVZOHH-UHFFFAOYSA-N 0 0 413.477 5.195 40 0 HKABRN Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000007755727 560752162 /nfs/dbraw/zinc/75/21/62/560752162.db2.gz IUEJTXIORPORPY-UHFFFAOYSA-N 0 0 418.497 5.113 40 0 HKABRN Cc1cccc(-c2noc(CN(C)C(=O)CC(c3ccccc3)c3ccccc3)n2)c1 ZINC000007759770 557759507 /nfs/dbraw/zinc/75/95/07/557759507.db2.gz VGYIXVNSNNFBRL-UHFFFAOYSA-N 0 0 411.505 5.226 40 0 HKABRN O=C(CC(c1ccccc1)c1ccccc1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000007759774 557759576 /nfs/dbraw/zinc/75/95/76/557759576.db2.gz MFXZKSZCAJLZRH-UHFFFAOYSA-N 0 0 417.896 5.228 40 0 HKABRN Cc1cccc(-c2noc(CN(C)C(=O)c3ccccc3CCc3ccccc3)n2)c1 ZINC000007780755 557760764 /nfs/dbraw/zinc/76/07/64/557760764.db2.gz AHKBPSHXZQHRPP-UHFFFAOYSA-N 0 0 411.505 5.102 40 0 HKABRN Cc1ccc(-c2noc(CN(C)C(=O)c3ccccc3CCc3ccccc3)n2)cc1 ZINC000007780764 557760782 /nfs/dbraw/zinc/76/07/82/557760782.db2.gz OFGWJDLCYRCLIM-UHFFFAOYSA-N 0 0 411.505 5.102 40 0 HKABRN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1CCc1ccccc1 ZINC000007780772 557760785 /nfs/dbraw/zinc/76/07/85/557760785.db2.gz PKUQFNGSBHSCNG-UHFFFAOYSA-N 0 0 417.896 5.105 40 0 HKABRN COc1cc(C(=S)N2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000007782017 569338064 /nfs/dbraw/zinc/33/80/64/569338064.db2.gz UPRZGSQJHMVDAH-UHFFFAOYSA-N 0 0 410.366 5.742 40 0 HKABRN COc1cc(C(=S)N2CCCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000007782021 569338050 /nfs/dbraw/zinc/33/80/50/569338050.db2.gz UEMZQKBYYHNMLQ-UHFFFAOYSA-N 0 0 410.366 5.742 40 0 HKABRN COc1cc(C(=S)N2CCCCC2)ccc1OCc1ccc(Br)cc1 ZINC000007782023 569338043 /nfs/dbraw/zinc/33/80/43/569338043.db2.gz ZVHFMTIFNMYRHG-UHFFFAOYSA-N 0 0 420.372 5.198 40 0 HKABRN COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c(OC)c1 ZINC000007807789 557762573 /nfs/dbraw/zinc/76/25/73/557762573.db2.gz CQDKUXUSAFQUJO-UHFFFAOYSA-N 0 0 400.434 5.278 40 0 HKABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1Cl ZINC000007881775 569338129 /nfs/dbraw/zinc/33/81/29/569338129.db2.gz OPNPAFXTNGGEEW-QGZVFWFLSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1Cl ZINC000007881776 569338153 /nfs/dbraw/zinc/33/81/53/569338153.db2.gz OPNPAFXTNGGEEW-KRWDZBQOSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc2)cc1C ZINC000007881795 569338199 /nfs/dbraw/zinc/33/81/99/569338199.db2.gz BMJRQYUFBZNHSF-OAQYLSRUSA-N 0 0 414.505 5.083 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)cc2)cc1C ZINC000007881796 569338214 /nfs/dbraw/zinc/33/82/14/569338214.db2.gz BMJRQYUFBZNHSF-NRFANRHFSA-N 0 0 414.505 5.083 40 0 HKABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)cc1 ZINC000007881809 569338219 /nfs/dbraw/zinc/33/82/19/569338219.db2.gz MKDRHIHCONCDFS-QGZVFWFLSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)cc1 ZINC000007881810 569338182 /nfs/dbraw/zinc/33/81/82/569338182.db2.gz MKDRHIHCONCDFS-KRWDZBQOSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)cc2)cc1 ZINC000007881811 569338191 /nfs/dbraw/zinc/33/81/91/569338191.db2.gz JXYPXDFZSHSEIQ-LJQANCHMSA-N 0 0 400.478 5.087 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)cc2)cc1 ZINC000007881812 569338201 /nfs/dbraw/zinc/33/82/01/569338201.db2.gz JXYPXDFZSHSEIQ-IBGZPJMESA-N 0 0 400.478 5.087 40 0 HKABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1 ZINC000007881813 569338212 /nfs/dbraw/zinc/33/82/12/569338212.db2.gz RYBIDQVLVPASIS-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1 ZINC000007881814 569338183 /nfs/dbraw/zinc/33/81/83/569338183.db2.gz RYBIDQVLVPASIS-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)cc1 ZINC000007881817 569338209 /nfs/dbraw/zinc/33/82/09/569338209.db2.gz JHZAJTZQTFMFER-LJQANCHMSA-N 0 0 400.478 5.087 40 0 HKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)cc1 ZINC000007881818 569338175 /nfs/dbraw/zinc/33/81/75/569338175.db2.gz JHZAJTZQTFMFER-IBGZPJMESA-N 0 0 400.478 5.087 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2)cc1C ZINC000007881827 569338221 /nfs/dbraw/zinc/33/82/21/569338221.db2.gz POIHZAGURKAPNY-LJQANCHMSA-N 0 0 400.478 5.087 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2)cc1C ZINC000007881828 569338192 /nfs/dbraw/zinc/33/81/92/569338192.db2.gz POIHZAGURKAPNY-IBGZPJMESA-N 0 0 400.478 5.087 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2)c1C ZINC000007881829 569338205 /nfs/dbraw/zinc/33/82/05/569338205.db2.gz XZOFLNOUTDGZGF-LJQANCHMSA-N 0 0 400.478 5.087 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2)c1C ZINC000007881830 569338215 /nfs/dbraw/zinc/33/82/15/569338215.db2.gz XZOFLNOUTDGZGF-IBGZPJMESA-N 0 0 400.478 5.087 40 0 HKABRN CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O ZINC000007881911 569338213 /nfs/dbraw/zinc/33/82/13/569338213.db2.gz NEWOSSPYVDYQLL-LJQANCHMSA-N 0 0 400.478 5.033 40 0 HKABRN CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O ZINC000007881912 569338208 /nfs/dbraw/zinc/33/82/08/569338208.db2.gz NEWOSSPYVDYQLL-IBGZPJMESA-N 0 0 400.478 5.033 40 0 HKABRN CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1=O ZINC000007881915 569338186 /nfs/dbraw/zinc/33/81/86/569338186.db2.gz BFLAUDSKVKNGGS-HXUWFJFHSA-N 0 0 414.505 5.341 40 0 HKABRN CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1=O ZINC000007881916 569338216 /nfs/dbraw/zinc/33/82/16/569338216.db2.gz BFLAUDSKVKNGGS-FQEVSTJZSA-N 0 0 414.505 5.341 40 0 HKABRN CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3C)cc2)CC1=O ZINC000007881939 569338184 /nfs/dbraw/zinc/33/81/84/569338184.db2.gz AJSAGZVXYYBOJF-HXUWFJFHSA-N 0 0 414.505 5.341 40 0 HKABRN CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3C)cc2)CC1=O ZINC000007881940 569338180 /nfs/dbraw/zinc/33/81/80/569338180.db2.gz AJSAGZVXYYBOJF-FQEVSTJZSA-N 0 0 414.505 5.341 40 0 HKABRN CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000007882019 569338272 /nfs/dbraw/zinc/33/82/72/569338272.db2.gz HZIJXEPJMUPPFB-OAHLLOKOSA-N 0 0 405.325 5.110 40 0 HKABRN CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000007882020 569338245 /nfs/dbraw/zinc/33/82/45/569338245.db2.gz HZIJXEPJMUPPFB-HNNXBMFYSA-N 0 0 405.325 5.110 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cc2)c1 ZINC000007882063 569338249 /nfs/dbraw/zinc/33/82/49/569338249.db2.gz IACGQHQLUNKTQD-PZJWPPBQSA-N 0 0 414.505 5.336 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cc2)c1 ZINC000007882064 569338257 /nfs/dbraw/zinc/33/82/57/569338257.db2.gz IACGQHQLUNKTQD-FPOVZHCZSA-N 0 0 414.505 5.336 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)cc2)c1 ZINC000007882065 569338265 /nfs/dbraw/zinc/33/82/65/569338265.db2.gz IACGQHQLUNKTQD-TZIWHRDSSA-N 0 0 414.505 5.336 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)cc2)c1 ZINC000007882066 569338264 /nfs/dbraw/zinc/33/82/64/569338264.db2.gz IACGQHQLUNKTQD-CTNGQTDRSA-N 0 0 414.505 5.336 40 0 HKABRN Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 ZINC000007882095 569338228 /nfs/dbraw/zinc/33/82/28/569338228.db2.gz DTHYSPICFVHKML-PZJWPPBQSA-N 0 0 414.505 5.336 40 0 HKABRN Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 ZINC000007882096 569338232 /nfs/dbraw/zinc/33/82/32/569338232.db2.gz DTHYSPICFVHKML-FPOVZHCZSA-N 0 0 414.505 5.336 40 0 HKABRN Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 ZINC000007882097 569338226 /nfs/dbraw/zinc/33/82/26/569338226.db2.gz DTHYSPICFVHKML-TZIWHRDSSA-N 0 0 414.505 5.336 40 0 HKABRN Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 ZINC000007882098 569338262 /nfs/dbraw/zinc/33/82/62/569338262.db2.gz DTHYSPICFVHKML-CTNGQTDRSA-N 0 0 414.505 5.336 40 0 HKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000007882215 569338247 /nfs/dbraw/zinc/33/82/47/569338247.db2.gz LMZFQVXVQPYFIA-MRXNPFEDSA-N 0 0 406.869 5.124 40 0 HKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000007882216 569338239 /nfs/dbraw/zinc/33/82/39/569338239.db2.gz LMZFQVXVQPYFIA-INIZCTEOSA-N 0 0 406.869 5.124 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)cc2)cc1 ZINC000007882217 569338268 /nfs/dbraw/zinc/33/82/68/569338268.db2.gz ROTVJCGUJQTFIE-QGZVFWFLSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)cc2)cc1 ZINC000007882218 569338248 /nfs/dbraw/zinc/33/82/48/569338248.db2.gz ROTVJCGUJQTFIE-KRWDZBQOSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)cc2)c1 ZINC000007882219 569338258 /nfs/dbraw/zinc/33/82/58/569338258.db2.gz IVYXNVUIWSXVJE-QGZVFWFLSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)cc2)c1 ZINC000007882220 569338266 /nfs/dbraw/zinc/33/82/66/569338266.db2.gz IVYXNVUIWSXVJE-KRWDZBQOSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 ZINC000007882233 569338261 /nfs/dbraw/zinc/33/82/61/569338261.db2.gz WCSAQFYRVAWCDI-QGZVFWFLSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 ZINC000007882234 569338255 /nfs/dbraw/zinc/33/82/55/569338255.db2.gz WCSAQFYRVAWCDI-KRWDZBQOSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)c1 ZINC000007882259 569338297 /nfs/dbraw/zinc/33/82/97/569338297.db2.gz KWSKITOPXUWWRP-LJQANCHMSA-N 0 0 400.478 5.087 40 0 HKABRN Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)c1 ZINC000007882260 569338317 /nfs/dbraw/zinc/33/83/17/569338317.db2.gz KWSKITOPXUWWRP-IBGZPJMESA-N 0 0 400.478 5.087 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cc(C)ccc4C)C3)cc2)cc1 ZINC000007882261 569338319 /nfs/dbraw/zinc/33/83/19/569338319.db2.gz AJKNFJSHPGHUOO-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cc(C)ccc4C)C3)cc2)cc1 ZINC000007882262 569338284 /nfs/dbraw/zinc/33/82/84/569338284.db2.gz AJKNFJSHPGHUOO-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cc(C)ccc4C)C3)cc2)c1 ZINC000007882263 569338316 /nfs/dbraw/zinc/33/83/16/569338316.db2.gz DRURDONIJCAZMM-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cc(C)ccc4C)C3)cc2)c1 ZINC000007882264 569338307 /nfs/dbraw/zinc/33/83/07/569338307.db2.gz DRURDONIJCAZMM-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)c1 ZINC000007882279 569338287 /nfs/dbraw/zinc/33/82/87/569338287.db2.gz HIGBKQASOBQTRZ-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)c1 ZINC000007882280 569338289 /nfs/dbraw/zinc/33/82/89/569338289.db2.gz HIGBKQASOBQTRZ-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)cc1C ZINC000007882319 569338321 /nfs/dbraw/zinc/33/83/21/569338321.db2.gz UQKRFGYSUSYXOK-GOSISDBHSA-N 0 0 418.468 5.226 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)cc1C ZINC000007882320 569338274 /nfs/dbraw/zinc/33/82/74/569338274.db2.gz UQKRFGYSUSYXOK-SFHVURJKSA-N 0 0 418.468 5.226 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4C)C3)cc2)cc1 ZINC000007882391 569338315 /nfs/dbraw/zinc/33/83/15/569338315.db2.gz ODAXYTKAEQMTHI-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)cc2)cc1 ZINC000007882392 569338276 /nfs/dbraw/zinc/33/82/76/569338276.db2.gz ODAXYTKAEQMTHI-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)c1 ZINC000007882427 569338333 /nfs/dbraw/zinc/33/83/33/569338333.db2.gz LHWYFHFVWKQJGX-QGZVFWFLSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)c1 ZINC000007882428 569338349 /nfs/dbraw/zinc/33/83/49/569338349.db2.gz LHWYFHFVWKQJGX-KRWDZBQOSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4)C3)cc2)cc1 ZINC000007882429 569338348 /nfs/dbraw/zinc/33/83/48/569338348.db2.gz RZZXNMHOQMENRS-LJQANCHMSA-N 0 0 400.478 5.087 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4)C3)cc2)cc1 ZINC000007882430 569338331 /nfs/dbraw/zinc/33/83/31/569338331.db2.gz RZZXNMHOQMENRS-IBGZPJMESA-N 0 0 400.478 5.087 40 0 HKABRN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)c1 ZINC000007882443 569338364 /nfs/dbraw/zinc/33/83/64/569338364.db2.gz GVSJENCTBQNRTG-LJQANCHMSA-N 0 0 400.478 5.087 40 0 HKABRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)c1 ZINC000007882444 569338337 /nfs/dbraw/zinc/33/83/37/569338337.db2.gz GVSJENCTBQNRTG-IBGZPJMESA-N 0 0 400.478 5.087 40 0 HKABRN CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C)cc4)cc3)CC2=O)cc1 ZINC000007882515 569338367 /nfs/dbraw/zinc/33/83/67/569338367.db2.gz LLPDEBJHDJNBKA-HXUWFJFHSA-N 0 0 414.505 5.341 40 0 HKABRN CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C)cc4)cc3)CC2=O)cc1 ZINC000007882516 569338355 /nfs/dbraw/zinc/33/83/55/569338355.db2.gz LLPDEBJHDJNBKA-FQEVSTJZSA-N 0 0 414.505 5.341 40 0 HKABRN CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4)cc3)CC2=O)cc1 ZINC000007882517 569338344 /nfs/dbraw/zinc/33/83/44/569338344.db2.gz KBWZHTCPPVDOMA-HXUWFJFHSA-N 0 0 414.505 5.341 40 0 HKABRN CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4)cc3)CC2=O)cc1 ZINC000007882518 569338368 /nfs/dbraw/zinc/33/83/68/569338368.db2.gz KBWZHTCPPVDOMA-FQEVSTJZSA-N 0 0 414.505 5.341 40 0 HKABRN CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)cc1 ZINC000007882521 569338354 /nfs/dbraw/zinc/33/83/54/569338354.db2.gz HBXYJMUURJFZEC-HXUWFJFHSA-N 0 0 414.505 5.341 40 0 HKABRN CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)cc1 ZINC000007882522 569338341 /nfs/dbraw/zinc/33/83/41/569338341.db2.gz HBXYJMUURJFZEC-FQEVSTJZSA-N 0 0 414.505 5.341 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)cc2)cc1 ZINC000007882539 569338325 /nfs/dbraw/zinc/33/83/25/569338325.db2.gz OJTGQSKKOLAESB-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)cc2)cc1 ZINC000007882540 569338343 /nfs/dbraw/zinc/33/83/43/569338343.db2.gz OJTGQSKKOLAESB-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)cc2)c1 ZINC000007882543 569338336 /nfs/dbraw/zinc/33/83/36/569338336.db2.gz JXEQFXPZZHXDNI-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)cc2)c1 ZINC000007882544 569338365 /nfs/dbraw/zinc/33/83/65/569338365.db2.gz JXEQFXPZZHXDNI-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(OCc2ccccc2)cc1 ZINC000007911009 557766833 /nfs/dbraw/zinc/76/68/33/557766833.db2.gz GGWJDLXOIFSQPI-UHFFFAOYSA-N 0 0 417.440 5.026 40 0 HKABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1C ZINC000007927991 569338391 /nfs/dbraw/zinc/33/83/91/569338391.db2.gz DKSDXJCZLLVTME-LJQANCHMSA-N 0 0 400.478 5.087 40 0 HKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1C ZINC000007927992 569338402 /nfs/dbraw/zinc/33/84/02/569338402.db2.gz DKSDXJCZLLVTME-IBGZPJMESA-N 0 0 400.478 5.087 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)cc2)cc1 ZINC000007927993 569338383 /nfs/dbraw/zinc/33/83/83/569338383.db2.gz QEHPRFFJIHVCPI-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)cc2)cc1 ZINC000007927994 569338398 /nfs/dbraw/zinc/33/83/98/569338398.db2.gz QEHPRFFJIHVCPI-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)cc1C ZINC000007927997 569338401 /nfs/dbraw/zinc/33/84/01/569338401.db2.gz XJRSZMKDXAXUJE-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)cc1C ZINC000007927998 569338412 /nfs/dbraw/zinc/33/84/12/569338412.db2.gz XJRSZMKDXAXUJE-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)c(C)c1 ZINC000007928015 569338377 /nfs/dbraw/zinc/33/83/77/569338377.db2.gz PKLXKLVVTBEGOR-LJQANCHMSA-N 0 0 400.478 5.087 40 0 HKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)c(C)c1 ZINC000007928016 569338400 /nfs/dbraw/zinc/33/84/00/569338400.db2.gz PKLXKLVVTBEGOR-IBGZPJMESA-N 0 0 400.478 5.087 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4C)C3)cc2)c1 ZINC000007928019 569338384 /nfs/dbraw/zinc/33/83/84/569338384.db2.gz JXNJGEBWVPSVAY-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4C)C3)cc2)c1 ZINC000007928020 569338408 /nfs/dbraw/zinc/33/84/08/569338408.db2.gz JXNJGEBWVPSVAY-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O ZINC000007928099 569338374 /nfs/dbraw/zinc/33/83/74/569338374.db2.gz FEBQJUSGBDODCW-QGZVFWFLSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O ZINC000007928100 569338441 /nfs/dbraw/zinc/33/84/41/569338441.db2.gz FEBQJUSGBDODCW-KRWDZBQOSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4C)C3)cc2)cc1C ZINC000007928145 569338466 /nfs/dbraw/zinc/33/84/66/569338466.db2.gz DGMCLFQIMKWESC-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)cc2)cc1C ZINC000007928146 569338425 /nfs/dbraw/zinc/33/84/25/569338425.db2.gz DGMCLFQIMKWESC-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4C)C3)cc2)c1C ZINC000007928147 569338456 /nfs/dbraw/zinc/33/84/56/569338456.db2.gz JDTGUBWBTPHOLI-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)cc2)c1C ZINC000007928148 569338437 /nfs/dbraw/zinc/33/84/37/569338437.db2.gz JDTGUBWBTPHOLI-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000007928149 569338460 /nfs/dbraw/zinc/33/84/60/569338460.db2.gz DTIULLRRVDWOIL-LJQANCHMSA-N 0 0 400.478 5.087 40 0 HKABRN Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000007928150 569338459 /nfs/dbraw/zinc/33/84/59/569338459.db2.gz DTIULLRRVDWOIL-IBGZPJMESA-N 0 0 400.478 5.087 40 0 HKABRN Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000007928257 569338450 /nfs/dbraw/zinc/33/84/50/569338450.db2.gz YLCJCYSCCWIISX-QGZVFWFLSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000007928258 569338469 /nfs/dbraw/zinc/33/84/69/569338469.db2.gz YLCJCYSCCWIISX-KRWDZBQOSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)cc2)cc1 ZINC000007928263 569338447 /nfs/dbraw/zinc/33/84/47/569338447.db2.gz LMYTWSLBTZTGCM-QGZVFWFLSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)cc2)cc1 ZINC000007928264 569338464 /nfs/dbraw/zinc/33/84/64/569338464.db2.gz LMYTWSLBTZTGCM-KRWDZBQOSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000007928267 569338448 /nfs/dbraw/zinc/33/84/48/569338448.db2.gz JISNTXGAXYPFBP-QGZVFWFLSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000007928268 569338473 /nfs/dbraw/zinc/33/84/73/569338473.db2.gz JISNTXGAXYPFBP-KRWDZBQOSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O ZINC000007928301 569338446 /nfs/dbraw/zinc/33/84/46/569338446.db2.gz GYJZZFCCMZCUHS-LJQANCHMSA-N 0 0 400.478 5.087 40 0 HKABRN Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O ZINC000007928302 569338434 /nfs/dbraw/zinc/33/84/34/569338434.db2.gz GYJZZFCCMZCUHS-IBGZPJMESA-N 0 0 400.478 5.087 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4c(C)cccc4C)C3)cc2)c1 ZINC000007928305 569338432 /nfs/dbraw/zinc/33/84/32/569338432.db2.gz AALRBJWJZFEKAS-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4c(C)cccc4C)C3)cc2)c1 ZINC000007928306 569338442 /nfs/dbraw/zinc/33/84/42/569338442.db2.gz AALRBJWJZFEKAS-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)cc1Cl ZINC000007928633 569338566 /nfs/dbraw/zinc/33/85/66/569338566.db2.gz CNHIHQYXVQYIKL-HXUWFJFHSA-N 0 0 419.908 5.198 40 0 HKABRN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)cc1Cl ZINC000007928634 569338563 /nfs/dbraw/zinc/33/85/63/569338563.db2.gz CNHIHQYXVQYIKL-FQEVSTJZSA-N 0 0 419.908 5.198 40 0 HKABRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)cc1Cl ZINC000007928639 569338545 /nfs/dbraw/zinc/33/85/45/569338545.db2.gz OTNVATGUKKLAQN-LJQANCHMSA-N 0 0 405.881 5.274 40 0 HKABRN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)cc1Cl ZINC000007928640 569338544 /nfs/dbraw/zinc/33/85/44/569338544.db2.gz OTNVATGUKKLAQN-IBGZPJMESA-N 0 0 405.881 5.274 40 0 HKABRN Cc1ccc(C(C)C)c(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 ZINC000007928793 569338559 /nfs/dbraw/zinc/33/85/59/569338559.db2.gz QFMRVHLNLGFBKR-CQSZACIVSA-N 0 0 406.309 5.384 40 0 HKABRN Cc1ccc(C(C)C)c(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 ZINC000007928794 569338558 /nfs/dbraw/zinc/33/85/58/569338558.db2.gz QFMRVHLNLGFBKR-AWEZNQCLSA-N 0 0 406.309 5.384 40 0 HKABRN O=C(Oc1ccc2ccccc2c1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000007928797 569338540 /nfs/dbraw/zinc/33/85/40/569338540.db2.gz VLQTWJMFOVVRQL-OAHLLOKOSA-N 0 0 400.261 5.105 40 0 HKABRN O=C(Oc1ccc2ccccc2c1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000007928798 569338553 /nfs/dbraw/zinc/33/85/53/569338553.db2.gz VLQTWJMFOVVRQL-HNNXBMFYSA-N 0 0 400.261 5.105 40 0 HKABRN CC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 ZINC000007928801 569338541 /nfs/dbraw/zinc/33/85/41/569338541.db2.gz TYVAZAJWMJBPQS-CYBMUJFWSA-N 0 0 406.309 5.249 40 0 HKABRN CC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 ZINC000007928802 569338536 /nfs/dbraw/zinc/33/85/36/569338536.db2.gz TYVAZAJWMJBPQS-ZDUSSCGKSA-N 0 0 406.309 5.249 40 0 HKABRN CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 ZINC000007928815 569338528 /nfs/dbraw/zinc/33/85/28/569338528.db2.gz DNQTVUOXDHAOCT-CQSZACIVSA-N 0 0 420.336 5.640 40 0 HKABRN CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 ZINC000007928816 569338527 /nfs/dbraw/zinc/33/85/27/569338527.db2.gz DNQTVUOXDHAOCT-AWEZNQCLSA-N 0 0 420.336 5.640 40 0 HKABRN CC(C)(c1ccccc1)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000007928953 569338604 /nfs/dbraw/zinc/33/86/04/569338604.db2.gz BSKFUBKHZILBIF-GOSISDBHSA-N 0 0 417.480 5.110 40 0 HKABRN CC(C)(c1ccccc1)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000007928954 569338590 /nfs/dbraw/zinc/33/85/90/569338590.db2.gz BSKFUBKHZILBIF-SFHVURJKSA-N 0 0 417.480 5.110 40 0 HKABRN Cc1cccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)c1 ZINC000007929065 569338586 /nfs/dbraw/zinc/33/85/86/569338586.db2.gz NSWMXBZQQRGDMW-HXUWFJFHSA-N 0 0 413.517 5.279 40 0 HKABRN Cc1cccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)c1 ZINC000007929066 569338597 /nfs/dbraw/zinc/33/85/97/569338597.db2.gz NSWMXBZQQRGDMW-FQEVSTJZSA-N 0 0 413.517 5.279 40 0 HKABRN CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)cc1 ZINC000007929105 569338623 /nfs/dbraw/zinc/33/86/23/569338623.db2.gz KOYGMIQQYJTZPI-LJQANCHMSA-N 0 0 401.506 5.486 40 0 HKABRN CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)cc1 ZINC000007929106 569338596 /nfs/dbraw/zinc/33/85/96/569338596.db2.gz KOYGMIQQYJTZPI-IBGZPJMESA-N 0 0 401.506 5.486 40 0 HKABRN O=C(Oc1ccccc1-c1ccccc1)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000007929107 569338579 /nfs/dbraw/zinc/33/85/79/569338579.db2.gz ZFDWABCCMAZRAU-OAQYLSRUSA-N 0 0 407.469 5.465 40 0 HKABRN O=C(Oc1ccccc1-c1ccccc1)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000007929108 569338576 /nfs/dbraw/zinc/33/85/76/569338576.db2.gz ZFDWABCCMAZRAU-NRFANRHFSA-N 0 0 407.469 5.465 40 0 HKABRN Cc1c(Cl)cccc1N1C[C@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O ZINC000007929289 569338619 /nfs/dbraw/zinc/33/86/19/569338619.db2.gz PEUOOKAQFDHGLI-LJQANCHMSA-N 0 0 405.881 5.274 40 0 HKABRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O ZINC000007929290 569338608 /nfs/dbraw/zinc/33/86/08/569338608.db2.gz PEUOOKAQFDHGLI-IBGZPJMESA-N 0 0 405.881 5.274 40 0 HKABRN CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O ZINC000007929345 569338610 /nfs/dbraw/zinc/33/86/10/569338610.db2.gz LSCUXSNVEMFRTL-HSZRJFAPSA-N 0 0 413.517 5.437 40 0 HKABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O ZINC000007929346 569338609 /nfs/dbraw/zinc/33/86/09/569338609.db2.gz LSCUXSNVEMFRTL-QHCPKHFHSA-N 0 0 413.517 5.437 40 0 HKABRN CC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000007929473 559258196 /nfs/dbraw/zinc/25/81/96/559258196.db2.gz UNSMDFUSMZZANI-CYBMUJFWSA-N 0 0 406.309 5.249 40 0 HKABRN CC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000007929474 559258180 /nfs/dbraw/zinc/25/81/80/559258180.db2.gz UNSMDFUSMZZANI-ZDUSSCGKSA-N 0 0 406.309 5.249 40 0 HKABRN CC[C@@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000007929485 559258292 /nfs/dbraw/zinc/25/82/92/559258292.db2.gz SNRBUVLBKNJDMU-ZIAGYGMSSA-N 0 0 406.309 5.465 40 0 HKABRN CC[C@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000007929486 559258298 /nfs/dbraw/zinc/25/82/98/559258298.db2.gz SNRBUVLBKNJDMU-UONOGXRCSA-N 0 0 406.309 5.465 40 0 HKABRN CC[C@@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000007929487 559258247 /nfs/dbraw/zinc/25/82/47/559258247.db2.gz SNRBUVLBKNJDMU-KGLIPLIRSA-N 0 0 406.309 5.465 40 0 HKABRN CC[C@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000007929488 559258286 /nfs/dbraw/zinc/25/82/86/559258286.db2.gz SNRBUVLBKNJDMU-KBPBESRZSA-N 0 0 406.309 5.465 40 0 HKABRN CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000007929495 569338589 /nfs/dbraw/zinc/33/85/89/569338589.db2.gz ULHRTGNTZQGKJS-CQSZACIVSA-N 0 0 420.336 5.640 40 0 HKABRN CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000007929496 569338585 /nfs/dbraw/zinc/33/85/85/569338585.db2.gz ULHRTGNTZQGKJS-AWEZNQCLSA-N 0 0 420.336 5.640 40 0 HKABRN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(F)cc3)c3ccccc3n2)cc1 ZINC000007939782 569338672 /nfs/dbraw/zinc/33/86/72/569338672.db2.gz NVSSGKUOIWJSRV-UHFFFAOYSA-N 0 0 414.436 5.145 40 0 HKABRN Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000007939783 569338676 /nfs/dbraw/zinc/33/86/76/569338676.db2.gz SZGIMOPEQKWUFA-UHFFFAOYSA-N 0 0 410.473 5.314 40 0 HKABRN Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1C ZINC000007939787 569338704 /nfs/dbraw/zinc/33/87/04/569338704.db2.gz CNWVMYRKZQVQIW-UHFFFAOYSA-N 0 0 410.473 5.314 40 0 HKABRN CCc1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000007939788 569338724 /nfs/dbraw/zinc/33/87/24/569338724.db2.gz SHWRHBRAODLHCX-UHFFFAOYSA-N 0 0 410.473 5.260 40 0 HKABRN Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)cc1 ZINC000007940022 569338759 /nfs/dbraw/zinc/33/87/59/569338759.db2.gz LWUPFPVDGOMITL-UHFFFAOYSA-N 0 0 414.436 5.145 40 0 HKABRN Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)c1 ZINC000007940023 569338760 /nfs/dbraw/zinc/33/87/60/569338760.db2.gz FNAOLYWGCSWULD-UHFFFAOYSA-N 0 0 414.436 5.145 40 0 HKABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(C)C)c2)cc1 ZINC000007967081 557768347 /nfs/dbraw/zinc/76/83/47/557768347.db2.gz XNESLLSSCWLMRM-UHFFFAOYSA-N 0 0 422.550 5.196 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000008007708 557769466 /nfs/dbraw/zinc/76/94/66/557769466.db2.gz ZJACCKJHIGTXRT-UHFFFAOYSA-N 0 0 404.853 5.923 40 0 HKABRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000008022520 569338827 /nfs/dbraw/zinc/33/88/27/569338827.db2.gz XTMXJOIOGUCLQU-HSZRJFAPSA-N 0 0 421.537 5.203 40 0 HKABRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000008022540 569338873 /nfs/dbraw/zinc/33/88/73/569338873.db2.gz XTMXJOIOGUCLQU-QHCPKHFHSA-N 0 0 421.537 5.203 40 0 HKABRN Cc1ccc(N2C(=O)c3n[nH]c(-c4ccc(Cl)cc4)c3[C@H]2c2ccc(O)cc2)cc1 ZINC000008024981 560753206 /nfs/dbraw/zinc/75/32/06/560753206.db2.gz FMXQDZZJVFTTOT-HSZRJFAPSA-N 0 0 415.880 5.494 40 0 HKABRN Cc1ccc(N2C(=O)c3n[nH]c(-c4ccc(Cl)cc4)c3[C@@H]2c2ccc(O)cc2)cc1 ZINC000008024984 560753216 /nfs/dbraw/zinc/75/32/16/560753216.db2.gz FMXQDZZJVFTTOT-QHCPKHFHSA-N 0 0 415.880 5.494 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)cc1 ZINC000008033538 560753220 /nfs/dbraw/zinc/75/32/20/560753220.db2.gz XDBUNHXONSSVJG-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)cc1 ZINC000008033541 557770802 /nfs/dbraw/zinc/77/08/02/557770802.db2.gz XMXABRHHBUAIHH-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)c1 ZINC000008033542 557770711 /nfs/dbraw/zinc/77/07/11/557770711.db2.gz ACGFFGGUHMPYDP-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCCSc1nnc2c(n1)O[C@@H](c1ccc(OC)c(Cl)c1)Nc1ccccc1-2 ZINC000008036174 557770806 /nfs/dbraw/zinc/77/08/06/557770806.db2.gz OYTGZQGQMMZHGC-SFHVURJKSA-N 0 0 414.918 5.206 40 0 HKABRN CCCSc1nnc2c(n1)O[C@H](c1ccc(OC)c(Cl)c1)Nc1ccccc1-2 ZINC000008036175 557770725 /nfs/dbraw/zinc/77/07/25/557770725.db2.gz OYTGZQGQMMZHGC-GOSISDBHSA-N 0 0 414.918 5.206 40 0 HKABRN Nc1c(C(=O)N2CCCC2)sc2nc3c(c(-c4ccco4)c12)CCc1ccccc1-3 ZINC000008036212 557770936 /nfs/dbraw/zinc/77/09/36/557770936.db2.gz FPUVDCKATGQHDA-UHFFFAOYSA-N 0 0 415.518 5.140 40 0 HKABRN CC[C@H](OC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)C(=O)c1ccccc1 ZINC000008040422 568938179 /nfs/dbraw/zinc/93/81/79/568938179.db2.gz QJGZXYPVYWEOIT-NRFANRHFSA-N 0 0 412.445 5.222 40 0 HKABRN CC[C@@H](OC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)C(=O)c1ccccc1 ZINC000008040425 568938066 /nfs/dbraw/zinc/93/80/66/568938066.db2.gz QJGZXYPVYWEOIT-OAQYLSRUSA-N 0 0 412.445 5.222 40 0 HKABRN CCCc1cc(-c2nc(-c3ccc(OC(=O)c4ccc(C)cc4)cc3)cs2)ccn1 ZINC000008040494 568938143 /nfs/dbraw/zinc/93/81/43/568938143.db2.gz LEJLAKUGPMMWJA-UHFFFAOYSA-N 0 0 414.530 6.352 40 0 HKABRN O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1Cc1cccc(Cl)c1 ZINC000008040501 568938167 /nfs/dbraw/zinc/93/81/67/568938167.db2.gz HHIXEAUYMFBGIW-JLHYYAGUSA-N 0 0 407.300 5.922 40 0 HKABRN CCC(=O)Nc1ccccc1C(=O)Nc1cc(-c2cnc3ccccc3n2)ccc1C ZINC000008040535 560752561 /nfs/dbraw/zinc/75/25/61/560752561.db2.gz MUHYGRZNWQLDMA-UHFFFAOYSA-N 0 0 410.477 5.206 40 0 HKABRN Cc1cc(C)cc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 ZINC000008040800 559265194 /nfs/dbraw/zinc/26/51/94/559265194.db2.gz CJAYZZFNYYZNAX-HNNXBMFYSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1cc(C)cc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 ZINC000008040801 559265197 /nfs/dbraw/zinc/26/51/97/559265197.db2.gz CJAYZZFNYYZNAX-OAHLLOKOSA-N 0 0 412.382 5.427 40 0 HKABRN CC(C)(C)c1ccccc1OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000008041051 569339219 /nfs/dbraw/zinc/33/92/19/569339219.db2.gz KWTIPMBGLJIVST-UHFFFAOYSA-N 0 0 409.913 6.447 40 0 HKABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000008041069 569339232 /nfs/dbraw/zinc/33/92/32/569339232.db2.gz ZOZMWZWDDVDGPR-HNNXBMFYSA-N 0 0 403.103 5.552 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000008041070 569339240 /nfs/dbraw/zinc/33/92/40/569339240.db2.gz ZOZMWZWDDVDGPR-OAHLLOKOSA-N 0 0 403.103 5.552 40 0 HKABRN CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000008041144 569339225 /nfs/dbraw/zinc/33/92/25/569339225.db2.gz HMLWOROFWGQAAM-QFIPXVFZSA-N 0 0 409.526 6.223 40 0 HKABRN CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000008041145 569339243 /nfs/dbraw/zinc/33/92/43/569339243.db2.gz HMLWOROFWGQAAM-JOCHJYFZSA-N 0 0 409.526 6.223 40 0 HKABRN CC[C@H](Oc1ccccc1F)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000008041248 559267081 /nfs/dbraw/zinc/26/70/81/559267081.db2.gz FLEFDMZATDICEY-KRWDZBQOSA-N 0 0 416.345 5.340 40 0 HKABRN CC[C@@H](Oc1ccccc1F)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000008041249 559267091 /nfs/dbraw/zinc/26/70/91/559267091.db2.gz FLEFDMZATDICEY-QGZVFWFLSA-N 0 0 416.345 5.340 40 0 HKABRN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000008041280 569339204 /nfs/dbraw/zinc/33/92/04/569339204.db2.gz PNPLZXIAIUWVPC-QFIPXVFZSA-N 0 0 407.897 5.676 40 0 HKABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000008041281 569339228 /nfs/dbraw/zinc/33/92/28/569339228.db2.gz PNPLZXIAIUWVPC-JOCHJYFZSA-N 0 0 407.897 5.676 40 0 HKABRN CC[C@H](Oc1ccccc1OC)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000008041360 569339213 /nfs/dbraw/zinc/33/92/13/569339213.db2.gz LKFYRHJDMAGZIP-IBGZPJMESA-N 0 0 411.885 5.937 40 0 HKABRN CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000008041361 569339206 /nfs/dbraw/zinc/33/92/06/569339206.db2.gz LKFYRHJDMAGZIP-LJQANCHMSA-N 0 0 411.885 5.937 40 0 HKABRN CC[C@H](Oc1ccccc1F)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000008041410 569339239 /nfs/dbraw/zinc/33/92/39/569339239.db2.gz AHEUKMZJCDKXKD-KRWDZBQOSA-N 0 0 416.345 5.340 40 0 HKABRN CC[C@@H](Oc1ccccc1F)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000008041411 559267896 /nfs/dbraw/zinc/26/78/96/559267896.db2.gz AHEUKMZJCDKXKD-QGZVFWFLSA-N 0 0 416.345 5.340 40 0 HKABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c(C)c1 ZINC000008041452 569339196 /nfs/dbraw/zinc/33/91/96/569339196.db2.gz MAKSFZCGGSDMIS-PMACEKPBSA-N 0 0 416.521 5.200 40 0 HKABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c(C)c1 ZINC000008041453 569339224 /nfs/dbraw/zinc/33/92/24/569339224.db2.gz MAKSFZCGGSDMIS-VQTJNVASSA-N 0 0 416.521 5.200 40 0 HKABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c(C)c1 ZINC000008041454 569339222 /nfs/dbraw/zinc/33/92/22/569339222.db2.gz MAKSFZCGGSDMIS-UXHICEINSA-N 0 0 416.521 5.200 40 0 HKABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c(C)c1 ZINC000008041455 569339223 /nfs/dbraw/zinc/33/92/23/569339223.db2.gz MAKSFZCGGSDMIS-WOJBJXKFSA-N 0 0 416.521 5.200 40 0 HKABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1 ZINC000008041456 560752538 /nfs/dbraw/zinc/75/25/38/560752538.db2.gz SOHUQUSQZWJNMQ-KRWDZBQOSA-N 0 0 407.897 5.594 40 0 HKABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1 ZINC000008041457 560752555 /nfs/dbraw/zinc/75/25/55/560752555.db2.gz SOHUQUSQZWJNMQ-QGZVFWFLSA-N 0 0 407.897 5.594 40 0 HKABRN Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1C ZINC000008041588 569339246 /nfs/dbraw/zinc/33/92/46/569339246.db2.gz XGZRAIANLHTLAW-HNNXBMFYSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1C ZINC000008041589 569339289 /nfs/dbraw/zinc/33/92/89/569339289.db2.gz XGZRAIANLHTLAW-OAHLLOKOSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1ccc(O[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)cc1C ZINC000008041592 569339279 /nfs/dbraw/zinc/33/92/79/569339279.db2.gz WMKLKPLCPCKDTR-HNNXBMFYSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1ccc(O[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)cc1C ZINC000008041593 569339283 /nfs/dbraw/zinc/33/92/83/569339283.db2.gz WMKLKPLCPCKDTR-OAHLLOKOSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1ccc(O[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c(C)c1 ZINC000008041625 569339280 /nfs/dbraw/zinc/33/92/80/569339280.db2.gz WATYUCMBTGCOSD-HNNXBMFYSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1ccc(O[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c(C)c1 ZINC000008041626 559268092 /nfs/dbraw/zinc/26/80/92/559268092.db2.gz WATYUCMBTGCOSD-OAHLLOKOSA-N 0 0 412.382 5.427 40 0 HKABRN CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000008041724 569339271 /nfs/dbraw/zinc/33/92/71/569339271.db2.gz PXHDFWGPFYZDBU-JTSKRJEESA-N 0 0 420.484 5.113 40 0 HKABRN CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000008041725 569339274 /nfs/dbraw/zinc/33/92/74/569339274.db2.gz PXHDFWGPFYZDBU-HTAPYJJXSA-N 0 0 420.484 5.113 40 0 HKABRN CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000008041726 569339251 /nfs/dbraw/zinc/33/92/51/569339251.db2.gz PXHDFWGPFYZDBU-VGSWGCGISA-N 0 0 420.484 5.113 40 0 HKABRN CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000008041727 569339294 /nfs/dbraw/zinc/33/92/94/569339294.db2.gz PXHDFWGPFYZDBU-VGOFRKELSA-N 0 0 420.484 5.113 40 0 HKABRN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 ZINC000008041757 569339266 /nfs/dbraw/zinc/33/92/66/569339266.db2.gz WTCWNALIMJOSNW-FQEVSTJZSA-N 0 0 405.563 6.310 40 0 HKABRN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 ZINC000008041758 569339292 /nfs/dbraw/zinc/33/92/92/569339292.db2.gz WTCWNALIMJOSNW-HXUWFJFHSA-N 0 0 405.563 6.310 40 0 HKABRN CCSc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000008041785 569339249 /nfs/dbraw/zinc/33/92/49/569339249.db2.gz ANGZMRGKYGDHFO-UHFFFAOYSA-N 0 0 416.590 5.346 40 0 HKABRN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000008048970 569339285 /nfs/dbraw/zinc/33/92/85/569339285.db2.gz IFIHJZSXKMCFJM-DEOSSOPVSA-N 0 0 405.563 6.392 40 0 HKABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000008048977 569339273 /nfs/dbraw/zinc/33/92/73/569339273.db2.gz IFIHJZSXKMCFJM-XMMPIXPASA-N 0 0 405.563 6.392 40 0 HKABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000008049111 569339293 /nfs/dbraw/zinc/33/92/93/569339293.db2.gz ZZDPHTDHFXJASQ-QFIPXVFZSA-N 0 0 422.912 5.066 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000008049115 569339284 /nfs/dbraw/zinc/33/92/84/569339284.db2.gz ZZDPHTDHFXJASQ-JOCHJYFZSA-N 0 0 422.912 5.066 40 0 HKABRN CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000008049478 560752650 /nfs/dbraw/zinc/75/26/50/560752650.db2.gz MWFRQHMVHFGDFR-UHFFFAOYSA-N 0 0 408.542 5.064 40 0 HKABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000008049500 569339267 /nfs/dbraw/zinc/33/92/67/569339267.db2.gz DLYSFJYSSIXVEU-QFIPXVFZSA-N 0 0 411.954 6.428 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000008049503 569339291 /nfs/dbraw/zinc/33/92/91/569339291.db2.gz DLYSFJYSSIXVEU-JOCHJYFZSA-N 0 0 411.954 6.428 40 0 HKABRN CC(C)(C)c1ccccc1OCC(=O)NCCSCc1c(F)cccc1Cl ZINC000008050210 569339269 /nfs/dbraw/zinc/33/92/69/569339269.db2.gz JGCYNNKESJQLGC-UHFFFAOYSA-N 0 0 409.954 5.205 40 0 HKABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000008050311 569339262 /nfs/dbraw/zinc/33/92/62/569339262.db2.gz GKLLUHMHSTWOMK-SFHVURJKSA-N 0 0 416.345 5.340 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000008050314 569339305 /nfs/dbraw/zinc/33/93/05/569339305.db2.gz GKLLUHMHSTWOMK-GOSISDBHSA-N 0 0 416.345 5.340 40 0 HKABRN COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C(C)C ZINC000008050401 569339303 /nfs/dbraw/zinc/33/93/03/569339303.db2.gz VILZAHPWGGHHPB-UHFFFAOYSA-N 0 0 407.841 5.292 40 0 HKABRN CCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)nn12 ZINC000008071457 560752760 /nfs/dbraw/zinc/75/27/60/560752760.db2.gz PKRWTTABIVJNCJ-JLHYYAGUSA-N 0 0 417.538 5.191 40 0 HKABRN Cc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1Cl ZINC000008071538 560752764 /nfs/dbraw/zinc/75/27/64/560752764.db2.gz PPLVFCUTCPOTKH-UHFFFAOYSA-N 0 0 404.691 5.601 40 0 HKABRN Cc1cc(C)cc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000008071552 560752748 /nfs/dbraw/zinc/75/27/48/560752748.db2.gz OEJBNBWZVVOLRR-UHFFFAOYSA-N 0 0 414.299 5.021 40 0 HKABRN CCCOc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000008071565 560752761 /nfs/dbraw/zinc/75/27/61/560752761.db2.gz LDBLQLMAVXHGCB-UHFFFAOYSA-N 0 0 414.299 5.428 40 0 HKABRN CC(C)(C)c1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000008071571 560752745 /nfs/dbraw/zinc/75/27/45/560752745.db2.gz FJFNCJTXADGPMF-UHFFFAOYSA-N 0 0 412.327 5.937 40 0 HKABRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc2ccccc2c1 ZINC000008071573 560752740 /nfs/dbraw/zinc/75/27/40/560752740.db2.gz OZHWIXWJXNZYEH-UHFFFAOYSA-N 0 0 406.279 5.792 40 0 HKABRN O=C(Cc1ccc(Cl)cc1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000008071596 560752735 /nfs/dbraw/zinc/75/27/35/560752735.db2.gz JUCDZRLQYFVURD-UHFFFAOYSA-N 0 0 404.691 5.221 40 0 HKABRN Cc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c(Cl)c1 ZINC000008071623 560752751 /nfs/dbraw/zinc/75/27/51/560752751.db2.gz DUIPFJKTYDEFDV-UHFFFAOYSA-N 0 0 404.691 5.601 40 0 HKABRN Cc1ccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c(C)c1 ZINC000008071643 560752746 /nfs/dbraw/zinc/75/27/46/560752746.db2.gz BHYDXNUDABKULS-UHFFFAOYSA-N 0 0 414.299 5.021 40 0 HKABRN Cc1ccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1C ZINC000008071649 560752754 /nfs/dbraw/zinc/75/27/54/560752754.db2.gz ANVUAYGLSONRPB-UHFFFAOYSA-N 0 0 414.299 5.021 40 0 HKABRN Cc1cccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1C ZINC000008071656 560752739 /nfs/dbraw/zinc/75/27/39/560752739.db2.gz KMQSUAABEOMYDB-UHFFFAOYSA-N 0 0 414.299 5.021 40 0 HKABRN CC(C)Oc1cccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000008071669 560752859 /nfs/dbraw/zinc/75/28/59/560752859.db2.gz HQDHXZNQNHTIHE-UHFFFAOYSA-N 0 0 414.299 5.426 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000008071673 560752863 /nfs/dbraw/zinc/75/28/63/560752863.db2.gz KEFRWKVINZKWMP-UHFFFAOYSA-N 0 0 400.272 5.038 40 0 HKABRN CCCOc1cccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000008071676 557771790 /nfs/dbraw/zinc/77/17/90/557771790.db2.gz WUYZVZLLOHQQQA-UHFFFAOYSA-N 0 0 414.299 5.428 40 0 HKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2c3nsnc3ccc2Cl)cc1 ZINC000008071789 560752844 /nfs/dbraw/zinc/75/28/44/560752844.db2.gz HEALIINHYLMBOM-UHFFFAOYSA-N 0 0 403.935 5.438 40 0 HKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000008071969 560752856 /nfs/dbraw/zinc/75/28/56/560752856.db2.gz LSTKHKYKTXHIAQ-UHFFFAOYSA-N 0 0 402.210 5.264 40 0 HKABRN Cc1ccc2nc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)sc2c1 ZINC000008072037 560752816 /nfs/dbraw/zinc/75/28/16/560752816.db2.gz WDDRCSCIXJPUFM-UHFFFAOYSA-N 0 0 405.317 5.163 40 0 HKABRN COc1ccc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c(OC)c1 ZINC000008072112 560752840 /nfs/dbraw/zinc/75/28/40/560752840.db2.gz NNIMEXOMNBOCRH-UHFFFAOYSA-N 0 0 402.450 5.381 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000008073435 557772023 /nfs/dbraw/zinc/77/20/23/557772023.db2.gz AUQMYCJQXMYCIA-UHFFFAOYSA-N 0 0 408.542 5.064 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000008073471 557772032 /nfs/dbraw/zinc/77/20/32/557772032.db2.gz IGCDIRBCOZAPMN-UHFFFAOYSA-N 0 0 408.542 5.018 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3ccc(C)c(NC(=O)c4cc(C)cc(C)c4)c3)nc2c1 ZINC000008078383 560752813 /nfs/dbraw/zinc/75/28/13/560752813.db2.gz PZIPEWAMQSURAE-SFHVURJKSA-N 0 0 412.533 7.186 40 0 HKABRN CCc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1 ZINC000008085278 557772278 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5.433 40 0 HKABRN CCc1ccc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)C(C(=O)OC)=C2C)cc1 ZINC000008085670 569339322 /nfs/dbraw/zinc/33/93/22/569339322.db2.gz NCYHFWZPQDFXIB-AQTBWJFISA-N 0 0 415.411 5.145 40 0 HKABRN CCc1ccc(NC(=O)COc2ccc(C(=S)N3CCCCC3)cc2Cl)cc1 ZINC000008086105 569339364 /nfs/dbraw/zinc/33/93/64/569339364.db2.gz FTMKUZSILPTQBL-UHFFFAOYSA-N 0 0 416.974 5.081 40 0 HKABRN CCc1ccc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000008086969 560752986 /nfs/dbraw/zinc/75/29/86/560752986.db2.gz UKEXIYWVIFZQIT-UHFFFAOYSA-N 0 0 405.277 5.938 40 0 HKABRN CCc1ccc2oc(-c3cc(NC(=O)c4cc(C)cc(C)c4)ccc3Cl)nc2c1 ZINC000008087657 560752978 /nfs/dbraw/zinc/75/29/78/560752978.db2.gz FLELBFOOURXWIV-UHFFFAOYSA-N 0 0 404.897 6.580 40 0 HKABRN CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4c(OC)cccc4OC)c3)nc2c1 ZINC000008087659 557772267 /nfs/dbraw/zinc/77/22/67/557772267.db2.gz HYEZMLXRQZIRGJ-UHFFFAOYSA-N 0 0 416.477 5.635 40 0 HKABRN CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc(C)cc(C)c4)c3)nc2c1 ZINC000008087664 560752977 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CCc1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(Br)c1 ZINC000008200224 557775268 /nfs/dbraw/zinc/77/52/68/557775268.db2.gz RRQDJPPIXQOYDB-UHFFFAOYSA-N 0 0 403.103 5.336 40 0 HKABRN CCc1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000008200244 557775382 /nfs/dbraw/zinc/77/53/82/557775382.db2.gz RWCOWHZXAJJRPP-UHFFFAOYSA-N 0 0 403.103 5.336 40 0 HKABRN CCc1ccc(C(=O)NC(=S)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1 ZINC000008200491 557775370 /nfs/dbraw/zinc/77/53/70/557775370.db2.gz DJKLCEGBGCRKDQ-UHFFFAOYSA-N 0 0 410.351 5.292 40 0 HKABRN CCOc1c(Cl)cc(C(=O)Nc2ccc(CC)cc2)cc1OCc1ccccc1 ZINC000008200873 569339892 /nfs/dbraw/zinc/33/98/92/569339892.db2.gz PBFZKJUUPBSOMA-UHFFFAOYSA-N 0 0 409.913 6.132 40 0 HKABRN CCOc1c(Cl)cc(C(=O)Nc2ccccc2CC)cc1OCc1ccccc1 ZINC000008202792 569339841 /nfs/dbraw/zinc/33/98/41/569339841.db2.gz OISACWXLQCDSKD-UHFFFAOYSA-N 0 0 409.913 6.132 40 0 HKABRN COc1c(Br)cc(C(=O)Nc2ccccc2)cc1OCc1ccccc1 ZINC000008206386 569339874 /nfs/dbraw/zinc/33/98/74/569339874.db2.gz HJNOJKMJRAHQQR-UHFFFAOYSA-N 0 0 412.283 5.289 40 0 HKABRN COc1c(Cl)cc(C(=O)Nc2ccc3ccccc3c2)cc1OCc1ccccc1 ZINC000008206394 569339868 /nfs/dbraw/zinc/33/98/68/569339868.db2.gz ANUKVLXVWHYRGV-UHFFFAOYSA-N 0 0 417.892 6.333 40 0 HKABRN COc1cc(C(=S)N2CCCCC2)c(Br)cc1OCc1ccccc1 ZINC000008206517 569339880 /nfs/dbraw/zinc/33/98/80/569339880.db2.gz RIKCTSFZBPUXFD-UHFFFAOYSA-N 0 0 420.372 5.198 40 0 HKABRN COc1ccc(Br)cc1C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000008209126 569061254 /nfs/dbraw/zinc/06/12/54/569061254.db2.gz VZNLKMARPQBRSC-UHFFFAOYSA-N 0 0 408.601 5.382 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1Cl ZINC000008209173 569339884 /nfs/dbraw/zinc/33/98/84/569339884.db2.gz LRTXMCGWOUDFJB-UHFFFAOYSA-N 0 0 415.276 5.507 40 0 HKABRN COc1ccc(C(=O)N2CC[C@]3(Cl)CCCC[C@@H]3[C@@H]2c2ccccc2)cc1OC ZINC000008209441 569271429 /nfs/dbraw/zinc/27/14/29/569271429.db2.gz JKAIHNBLNWWOSE-WNOPAQSVSA-N 0 0 413.945 5.459 40 0 HKABRN COc1ccc(C(=O)N2CC[C@@]3(Cl)CCCC[C@@H]3[C@@H]2c2ccccc2)cc1OC ZINC000008209450 557775829 /nfs/dbraw/zinc/77/58/29/557775829.db2.gz JKAIHNBLNWWOSE-UCFCWBNQSA-N 0 0 413.945 5.459 40 0 HKABRN COc1ccc(C(=O)N2CC[C@@]3(Cl)CCCC[C@H]3[C@@H]2c2ccccc2)cc1OC ZINC000008209451 557775767 /nfs/dbraw/zinc/77/57/67/557775767.db2.gz JKAIHNBLNWWOSE-APTRMMRNSA-N 0 0 413.945 5.459 40 0 HKABRN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000008221606 560753307 /nfs/dbraw/zinc/75/33/07/560753307.db2.gz XADRJKJWAKBAGG-FQEVSTJZSA-N 0 0 420.512 6.097 40 0 HKABRN COCCn1c(SCc2cccc3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000008230455 569339942 /nfs/dbraw/zinc/33/99/42/569339942.db2.gz UVNVBODOFWOBFO-UHFFFAOYSA-N 0 0 409.942 5.690 40 0 HKABRN C[C@H](NC(=O)Oc1ccccc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008239116 569339925 /nfs/dbraw/zinc/33/99/25/569339925.db2.gz GOPVDFSPQIJSLC-BALBBAFXSA-N 0 0 418.537 5.270 40 0 HKABRN CCOc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253958 557778322 /nfs/dbraw/zinc/77/83/22/557778322.db2.gz RSARQYRXTWBBBJ-SFHVURJKSA-N 0 0 410.341 5.240 40 0 HKABRN CCOc1cc(C[NH2+]C[C@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253961 557778174 /nfs/dbraw/zinc/77/81/74/557778174.db2.gz RSARQYRXTWBBBJ-GOSISDBHSA-N 0 0 410.341 5.240 40 0 HKABRN CCOc1cc(C[NH2+]Cc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253963 557778235 /nfs/dbraw/zinc/77/82/35/557778235.db2.gz MDYYXWSMICMKTI-UHFFFAOYSA-N 0 0 416.348 6.261 40 0 HKABRN CCOc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008254008 557778255 /nfs/dbraw/zinc/77/82/55/557778255.db2.gz SFABBJYHWOWFJD-UHFFFAOYSA-N 0 0 417.883 5.886 40 0 HKABRN CCOc1cc(C[NH2+]Cc2cccs2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008254011 557778332 /nfs/dbraw/zinc/77/83/32/557778332.db2.gz YLBFBEMHCYFXME-UHFFFAOYSA-N 0 0 405.922 5.808 40 0 HKABRN CCOc1cc(C[NH2+]C2CC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000008254021 557778298 /nfs/dbraw/zinc/77/82/98/557778298.db2.gz PXZLJQUZAMYFEF-UHFFFAOYSA-N 0 0 400.733 5.877 40 0 HKABRN CCOc1cc(C[NH2+]CCOC)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000008254026 557778262 /nfs/dbraw/zinc/77/82/62/557778262.db2.gz XMJDLAVFFALNHC-UHFFFAOYSA-N 0 0 418.748 5.361 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000008266180 560753497 /nfs/dbraw/zinc/75/34/97/560753497.db2.gz XADRJKJWAKBAGG-HXUWFJFHSA-N 0 0 420.512 6.097 40 0 HKABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000008273382 560753511 /nfs/dbraw/zinc/75/35/11/560753511.db2.gz QSZKOVYAMLCWHI-YRNVUSSQSA-N 0 0 414.336 5.586 40 0 HKABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1 ZINC000008273399 560753500 /nfs/dbraw/zinc/75/35/00/560753500.db2.gz OJRHHSAJCFJPLZ-UHFFFAOYSA-N 0 0 423.560 5.572 40 0 HKABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000008273410 560753532 /nfs/dbraw/zinc/75/35/32/560753532.db2.gz QRDFPUWZBZNUMB-UHFFFAOYSA-N 0 0 409.533 5.398 40 0 HKABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000008273509 560753552 /nfs/dbraw/zinc/75/35/52/560753552.db2.gz ZSJZMDQALLNQOA-UHFFFAOYSA-N 0 0 409.942 5.748 40 0 HKABRN COc1c(Cl)cc(C(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1Cl ZINC000008273521 560753535 /nfs/dbraw/zinc/75/35/35/560753535.db2.gz IVIRETOOGJSAQY-UHFFFAOYSA-N 0 0 418.324 5.195 40 0 HKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 ZINC000008273532 560753513 /nfs/dbraw/zinc/75/35/13/560753513.db2.gz AMUYNJCUZMXURI-UHFFFAOYSA-N 0 0 418.324 5.195 40 0 HKABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 ZINC000008273747 560753563 /nfs/dbraw/zinc/75/35/63/560753563.db2.gz FEEPAAUJJTZGKE-UHFFFAOYSA-N 0 0 403.913 5.687 40 0 HKABRN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)S1 ZINC000008277417 569339967 /nfs/dbraw/zinc/33/99/67/569339967.db2.gz RBWRHEPGGABCTA-OVCLIPMQSA-N 0 0 408.266 5.102 40 0 HKABRN COc1cc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)ccc1OC(C)C ZINC000008277467 569339950 /nfs/dbraw/zinc/33/99/50/569339950.db2.gz DDIPEUATCBOLGG-YBFXNURJSA-N 0 0 416.930 5.336 40 0 HKABRN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S1 ZINC000008277484 569339992 /nfs/dbraw/zinc/33/99/92/569339992.db2.gz AJOUVSQFQJXOHJ-OVCLIPMQSA-N 0 0 408.266 5.102 40 0 HKABRN COc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)c2ccccc12 ZINC000008277505 557779759 /nfs/dbraw/zinc/77/97/59/557779759.db2.gz MXSLPEOATZSZDN-UDWIEESQSA-N 0 0 408.910 5.702 40 0 HKABRN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(Br)cc2)S1 ZINC000008277510 569339955 /nfs/dbraw/zinc/33/99/55/569339955.db2.gz NJOWLDPDLHKBDB-OQLLNIDSSA-N 0 0 407.720 5.303 40 0 HKABRN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(OCC(C)C)cc2)S1 ZINC000008277572 569339949 /nfs/dbraw/zinc/33/99/49/569339949.db2.gz FJZPQFCEFFFNFI-YBFXNURJSA-N 0 0 400.931 5.575 40 0 HKABRN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(-c3ccccc3)cc2)S1 ZINC000008277587 569339985 /nfs/dbraw/zinc/33/99/85/569339985.db2.gz SVOMVCCLPZIHGS-KGENOOAVSA-N 0 0 404.922 6.207 40 0 HKABRN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(N3CCCCCC3)o2)S1 ZINC000008277599 569339972 /nfs/dbraw/zinc/33/99/72/569339972.db2.gz FWIILXSUBHSMQY-QGOAFFKASA-N 0 0 415.946 5.513 40 0 HKABRN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S1 ZINC000008277606 569339986 /nfs/dbraw/zinc/33/99/86/569339986.db2.gz FSIDURDQSCOQDG-YBFXNURJSA-N 0 0 412.873 5.939 40 0 HKABRN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2cccc(Br)c2)S1 ZINC000008277627 569339990 /nfs/dbraw/zinc/33/99/90/569339990.db2.gz IKXPFFFCABGKKN-OQLLNIDSSA-N 0 0 407.720 5.303 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(C(=S)N2CCC(C)CC2)cc1 ZINC000008278364 569339998 /nfs/dbraw/zinc/33/99/98/569339998.db2.gz KQBJOTNBFQRYII-UHFFFAOYSA-N 0 0 416.974 5.073 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc4ccccc4c3)c2)cc1 ZINC000008288103 560753559 /nfs/dbraw/zinc/75/35/59/560753559.db2.gz GEPWCJMQPOLMBC-UHFFFAOYSA-N 0 0 416.502 5.201 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(Cl)c3C)c2)cc1 ZINC000008289330 560753527 /nfs/dbraw/zinc/75/35/27/560753527.db2.gz SLIPWFNJTBKKES-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3C)c2)cc1 ZINC000008289454 557780051 /nfs/dbraw/zinc/78/00/51/557780051.db2.gz JQSXAPZTRLPXQD-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3C)c2)c1 ZINC000008289464 557780262 /nfs/dbraw/zinc/78/02/62/557780262.db2.gz AXVHXVFENYHPKM-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cccc3ccccc32)c1Cl ZINC000008299649 560753681 /nfs/dbraw/zinc/75/36/81/560753681.db2.gz IRRDBZFNBXFIOK-UHFFFAOYSA-N 0 0 408.712 6.434 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)c1 ZINC000008301125 560753986 /nfs/dbraw/zinc/75/39/86/560753986.db2.gz NJIJEDFGPVCHPL-UHFFFAOYSA-N 0 0 406.869 5.783 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)c(Cl)c1 ZINC000008302026 560754007 /nfs/dbraw/zinc/75/40/07/560754007.db2.gz MNDGABJZLMEXRS-UHFFFAOYSA-N 0 0 412.876 6.862 40 0 HKABRN Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccc(Cl)cc3)n2C)c1 ZINC000008302179 569340043 /nfs/dbraw/zinc/34/00/43/569340043.db2.gz CLYYXNUHMQLARZ-UHFFFAOYSA-N 0 0 401.963 5.772 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1ccc(CSc2cccc3cccnc32)cc1 ZINC000008306358 568496750 /nfs/dbraw/zinc/49/67/50/568496750.db2.gz VHFPFOGBJGYWGK-UHFFFAOYSA-N 0 0 404.922 6.433 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000008306359 568496833 /nfs/dbraw/zinc/49/68/33/568496833.db2.gz CMXWTBXQSTXBCN-UHFFFAOYSA-N 0 0 410.951 6.494 40 0 HKABRN Cc1cc(C(C)(C)C)ccc1SCc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000008306360 568496860 /nfs/dbraw/zinc/49/68/60/568496860.db2.gz JYRPRRZQULWXHG-UHFFFAOYSA-N 0 0 424.009 7.491 40 0 HKABRN CCCCOc1ccc([C@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)OCC)cc1 ZINC000008306552 557780788 /nfs/dbraw/zinc/78/07/88/557780788.db2.gz GRRUIRNKIVYIGU-JOCHJYFZSA-N 0 0 405.498 5.176 40 0 HKABRN CCCCOc1ccc([C@@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)OCC)cc1 ZINC000008306553 557780741 /nfs/dbraw/zinc/78/07/41/557780741.db2.gz GRRUIRNKIVYIGU-QFIPXVFZSA-N 0 0 405.498 5.176 40 0 HKABRN Cc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000008317959 560753980 /nfs/dbraw/zinc/75/39/80/560753980.db2.gz WUSMGPIXYSLEAN-UHFFFAOYSA-N 0 0 416.521 5.562 40 0 HKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)c2ccccc2)cc1 ZINC000008318200 569340031 /nfs/dbraw/zinc/34/00/31/569340031.db2.gz YUISSFAIXOMMGZ-UHFFFAOYSA-N 0 0 416.340 5.153 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)NCCSCc3cccc(C)c3)cc2)cc1 ZINC000008318506 560753974 /nfs/dbraw/zinc/75/39/74/560753974.db2.gz DMKQHVCWVFHIOG-UHFFFAOYSA-N 0 0 421.631 6.259 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1C ZINC000008319423 569340025 /nfs/dbraw/zinc/34/00/25/569340025.db2.gz KWGGDVQGYDCQJF-UHFFFAOYSA-N 0 0 404.853 5.010 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)o2)cc1C ZINC000008319640 569340045 /nfs/dbraw/zinc/34/00/45/569340045.db2.gz YSSDFRMJUHDVNF-UHFFFAOYSA-N 0 0 417.892 7.261 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccncc5)nc4c3)o2)cc1C ZINC000008319645 569340029 /nfs/dbraw/zinc/34/00/29/569340029.db2.gz RQFJZZSUDGDULH-UHFFFAOYSA-N 0 0 409.445 6.019 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)o2)cc1C ZINC000008319651 569340007 /nfs/dbraw/zinc/34/00/07/569340007.db2.gz YFKKNILCNHGVQZ-UHFFFAOYSA-N 0 0 410.473 6.068 40 0 HKABRN COc1cc([C@H]2N=C(SCC(C)C)NC(C)=C2C(=O)Nc2ccccc2)ccc1C ZINC000008320065 557781585 /nfs/dbraw/zinc/78/15/85/557781585.db2.gz BWCYMLJIUVPKDS-JOCHJYFZSA-N 0 0 423.582 5.306 40 0 HKABRN COc1cc([C@@H]2N=C(SCC(C)C)NC(C)=C2C(=O)Nc2ccccc2)ccc1C ZINC000008320068 569340041 /nfs/dbraw/zinc/34/00/41/569340041.db2.gz BWCYMLJIUVPKDS-QFIPXVFZSA-N 0 0 423.582 5.306 40 0 HKABRN COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000008320980 560754022 /nfs/dbraw/zinc/75/40/22/560754022.db2.gz VCKQDINLSOEXAW-UHFFFAOYSA-N 0 0 408.457 6.217 40 0 HKABRN COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1C ZINC000008321247 569340032 /nfs/dbraw/zinc/34/00/32/569340032.db2.gz BYMBSKUWOAYHLR-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN Cc1ccccc1OCC(=O)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C ZINC000008321326 560753973 /nfs/dbraw/zinc/75/39/73/560753973.db2.gz YMLANVPGJATIKS-UHFFFAOYSA-N 0 0 414.509 5.178 40 0 HKABRN Cc1c(Cl)cccc1NCc1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 ZINC000008330297 557782334 /nfs/dbraw/zinc/78/23/34/557782334.db2.gz ABHFJCMHZQWEQW-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccccc1 ZINC000008330301 569340024 /nfs/dbraw/zinc/34/00/24/569340024.db2.gz UCCBMWGDXGBUEA-UHFFFAOYSA-N 0 0 410.901 5.287 40 0 HKABRN COC(=O)c1cccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1C ZINC000008330462 569340008 /nfs/dbraw/zinc/34/00/08/569340008.db2.gz COJGHRANXXAXFT-HMMYKYKNSA-N 0 0 405.881 5.614 40 0 HKABRN COc1cccc(OC)c1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1C ZINC000008330619 557782333 /nfs/dbraw/zinc/78/23/33/557782333.db2.gz AJLLZVOJCLSJJY-UHFFFAOYSA-N 0 0 404.491 5.541 40 0 HKABRN Cc1cc(C)c(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2)c(C)c1 ZINC000008333331 569340010 /nfs/dbraw/zinc/34/00/10/569340010.db2.gz DAFYQKPTAXXNFY-UHFFFAOYSA-N 0 0 410.583 5.037 40 0 HKABRN Cc1cc(C)c(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)c(C)c1 ZINC000008333578 569340085 /nfs/dbraw/zinc/34/00/85/569340085.db2.gz AZSTXIRROXQEFQ-UHFFFAOYSA-N 0 0 418.411 5.130 40 0 HKABRN COc1cc(C)c(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1C(C)C ZINC000008333722 569340072 /nfs/dbraw/zinc/34/00/72/569340072.db2.gz GQQYKFZAROVHDO-SRZZPIQSSA-N 0 0 406.507 5.235 40 0 HKABRN COc1cc(C)c(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1C(C)C ZINC000008333725 569340075 /nfs/dbraw/zinc/34/00/75/569340075.db2.gz BNLDCBSIGHXHJR-RGVLZGJSSA-N 0 0 414.958 5.980 40 0 HKABRN COc1cc(C)c(C[C@H]2SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1C(C)C ZINC000008333845 569340067 /nfs/dbraw/zinc/34/00/67/569340067.db2.gz WVJRZPNZPVSDJL-HXUWFJFHSA-N 0 0 417.958 5.587 40 0 HKABRN COc1cc(C)c(C[C@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1C(C)C ZINC000008333852 559276391 /nfs/dbraw/zinc/27/63/91/559276391.db2.gz ZGZAOAHYURTXSU-LJQANCHMSA-N 0 0 403.931 5.592 40 0 HKABRN COc1cc(C)c(C[C@@H]2SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1C(C)C ZINC000008333869 569340092 /nfs/dbraw/zinc/34/00/92/569340092.db2.gz WVJRZPNZPVSDJL-FQEVSTJZSA-N 0 0 417.958 5.587 40 0 HKABRN COc1cc(C)c(C[C@@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1C(C)C ZINC000008333875 569340066 /nfs/dbraw/zinc/34/00/66/569340066.db2.gz ZGZAOAHYURTXSU-IBGZPJMESA-N 0 0 403.931 5.592 40 0 HKABRN Cc1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c(C)cc1I ZINC000008333940 560754150 /nfs/dbraw/zinc/75/41/50/560754150.db2.gz HHVNWCZLWVVEEB-JXMROGBWSA-N 0 0 419.306 5.683 40 0 HKABRN Cc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)c(C)cc1I ZINC000008333944 560754124 /nfs/dbraw/zinc/75/41/24/560754124.db2.gz HYXQUADRLJCJLR-VMPITWQZSA-N 0 0 411.670 5.213 40 0 HKABRN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1C(C)(C)C ZINC000008334036 559276387 /nfs/dbraw/zinc/27/63/87/559276387.db2.gz LFWIUKJPCSNGGP-WOJGMQOQSA-N 0 0 402.947 5.750 40 0 HKABRN Cc1cc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)c(C)n1C(C)(C)C ZINC000008334044 569340110 /nfs/dbraw/zinc/34/01/10/569340110.db2.gz AMQBQXNMVOQBTJ-WOJGMQOQSA-N 0 0 401.963 5.713 40 0 HKABRN Cc1cc(/C=C2\c3ccccc3N(C)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000008334780 569340096 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Cc1cc(C)cc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 ZINC000008335560 560754229 /nfs/dbraw/zinc/75/42/29/560754229.db2.gz FVJZBKAEKDWUBA-UHFFFAOYSA-N 0 0 413.304 6.115 40 0 HKABRN Cc1cc(C)cc(C(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)c1 ZINC000008335566 560754196 /nfs/dbraw/zinc/75/41/96/560754196.db2.gz OZJCRMNGJRYQCL-UHFFFAOYSA-N 0 0 411.288 6.671 40 0 HKABRN Cc1cc(C)cc(CSCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000008335581 569340104 /nfs/dbraw/zinc/34/01/04/569340104.db2.gz WTBHPISWDWJYGZ-UHFFFAOYSA-N 0 0 411.954 6.621 40 0 HKABRN Cc1cc(C)cc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)c1 ZINC000008335907 560754209 /nfs/dbraw/zinc/75/42/09/560754209.db2.gz RDKVQKCFMMSEAU-UHFFFAOYSA-N 0 0 405.277 5.992 40 0 HKABRN COc1cc2sc(NC(=O)COc3cc(C)c(Cl)c(C)c3)nc2cc1Cl ZINC000008335983 557782318 /nfs/dbraw/zinc/78/23/18/557782318.db2.gz FDOXHUIQVXJTQH-UHFFFAOYSA-N 0 0 411.310 5.246 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000008336352 569340088 /nfs/dbraw/zinc/34/00/88/569340088.db2.gz 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Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc(C(C)C)cc1 ZINC000008367659 557783799 /nfs/dbraw/zinc/78/37/99/557783799.db2.gz IQKKOEBYEWZAFV-UHFFFAOYSA-N 0 0 420.516 6.258 40 0 HKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc(Cl)cc1 ZINC000008367662 557783872 /nfs/dbraw/zinc/78/38/72/557783872.db2.gz HILZLUGPOSZBCO-UHFFFAOYSA-N 0 0 412.880 5.788 40 0 HKABRN COc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1 ZINC000008367667 557783882 /nfs/dbraw/zinc/78/38/82/557783882.db2.gz UPKZSAPLNMDJPT-UHFFFAOYSA-N 0 0 408.461 5.143 40 0 HKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1cccc(Cl)c1 ZINC000008367670 557783839 /nfs/dbraw/zinc/78/38/39/557783839.db2.gz LOZCZUIXIDHFHR-UHFFFAOYSA-N 0 0 412.880 5.788 40 0 HKABRN COc1cccc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)c1 ZINC000008367675 557783803 /nfs/dbraw/zinc/78/38/03/557783803.db2.gz VFLLWXHYVUKKHI-UHFFFAOYSA-N 0 0 408.461 5.143 40 0 HKABRN COc1ccccc1C(=O)Nc1cc2nn(-c3cccc4ccccc43)nc2cc1C ZINC000008367682 557783849 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COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccc(C)cc3C)nc2c1 ZINC000008369806 568415470 /nfs/dbraw/zinc/41/54/70/568415470.db2.gz ASVWTZTXUNHJNS-UHFFFAOYSA-N 0 0 402.450 5.381 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c(Cl)c1 ZINC000008369844 560754435 /nfs/dbraw/zinc/75/44/35/560754435.db2.gz KCHITELRBBGHTH-UHFFFAOYSA-N 0 0 413.329 6.831 40 0 HKABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1 ZINC000008370846 560754446 /nfs/dbraw/zinc/75/44/46/560754446.db2.gz XPQOKDKBXWXXJD-UHFFFAOYSA-N 0 0 405.542 5.077 40 0 HKABRN Cc1ccc(C)c(OCCSc2nc3ccccc3c(=O)n2-c2ccccc2)c1 ZINC000008370849 560754434 /nfs/dbraw/zinc/75/44/34/560754434.db2.gz NUOGZKFOSFSGHB-UHFFFAOYSA-N 0 0 402.519 5.174 40 0 HKABRN Cc1ccc(-c2ccc(C=NNc3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 ZINC000008371255 569340174 /nfs/dbraw/zinc/34/01/74/569340174.db2.gz BETDAOZHLIERIW-RGVLZGJSSA-N 0 0 400.232 5.372 40 0 HKABRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)cc3)S2)cc1 ZINC000008372003 569340265 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O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)Nc1cccc2ccccc21 ZINC000008410175 569340266 /nfs/dbraw/zinc/34/02/66/569340266.db2.gz GUVVCTIWILGNOS-UHFFFAOYSA-N 0 0 419.550 5.421 40 0 HKABRN Cc1ccc(C(=O)Cn2c3ccccc3c(=O)n(-c3ccccc3)c2=S)c(C)c1 ZINC000008410441 568500213 /nfs/dbraw/zinc/50/02/13/568500213.db2.gz WKXNDGVFJAUSHT-UHFFFAOYSA-N 0 0 400.503 5.021 40 0 HKABRN Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=S)c(C)c1 ZINC000008410547 568500285 /nfs/dbraw/zinc/50/02/85/568500285.db2.gz LIPAMOROAAEIPJ-UHFFFAOYSA-N 0 0 414.534 5.326 40 0 HKABRN Cc1ccc(C)c(N(CC(=O)c2ccc(Br)cc2)C2=NCCCS2)c1 ZINC000008410739 568500266 /nfs/dbraw/zinc/50/02/66/568500266.db2.gz AUDPXVMRMSAKBL-UHFFFAOYSA-N 0 0 417.372 5.248 40 0 HKABRN Cc1ccc(C)c(-n2c(-c3ccccc3)nn(CC(=O)NC3CCCCC3)c2=S)c1 ZINC000008411207 568500335 /nfs/dbraw/zinc/50/03/35/568500335.db2.gz FEFIUZJCTIUMJW-UHFFFAOYSA-N 0 0 420.582 5.136 40 0 HKABRN Cc1ccc(C)c(-n2c(-c3ccccc3)nn(CC(=O)Nc3ccccc3)c2=S)c1 ZINC000008411214 568500422 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Cc1ccc(-c2nn(CC(=O)Nc3cccc(C)c3)c(=S)n2-c2ccccc2)cc1 ZINC000008412616 568500340 /nfs/dbraw/zinc/50/03/40/568500340.db2.gz LUMXIDDUBYNGOX-UHFFFAOYSA-N 0 0 414.534 5.326 40 0 HKABRN Cc1ccc(-c2nn(CC(=O)Nc3ccccc3C)c(=S)n2-c2ccccc2)cc1 ZINC000008412619 568500342 /nfs/dbraw/zinc/50/03/42/568500342.db2.gz OSUZGHHFKLPIRG-UHFFFAOYSA-N 0 0 414.534 5.326 40 0 HKABRN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N(C)Cc2ccccc2)cc1 ZINC000008412670 557787168 /nfs/dbraw/zinc/78/71/68/557787168.db2.gz JCEYTOKCXLVXSL-UHFFFAOYSA-N 0 0 404.517 6.032 40 0 HKABRN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCC(C)C)cc1Cl ZINC000008412983 557787200 /nfs/dbraw/zinc/78/72/00/557787200.db2.gz SADHFAAANXOCLJ-UHFFFAOYSA-N 0 0 404.945 6.507 40 0 HKABRN Cc1cccc(NC(=O)Cn2nc(-c3ccccc3)n(-c3cccc(C)c3)c2=S)c1 ZINC000008414742 568500446 /nfs/dbraw/zinc/50/04/46/568500446.db2.gz CJTFOHWANGWZAF-UHFFFAOYSA-N 0 0 414.534 5.326 40 0 HKABRN Cc1cccc(NCc2nn(CC(=O)c3ccccc3)c(=S)n2-c2ccccc2)c1 ZINC000008414871 568500531 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COc1ccc2c(c1)nc(SCc1cn3ccc(C)cc3n1)cc2C(F)(F)F ZINC000008416500 557787498 /nfs/dbraw/zinc/78/74/98/557787498.db2.gz OKKJKSBSUFGCFY-UHFFFAOYSA-N 0 0 403.429 5.511 40 0 HKABRN O=C(CN(c1cccc(Cl)c1)C1=NCCCCC1)c1ccc(Br)cc1 ZINC000008418247 568938251 /nfs/dbraw/zinc/93/82/51/568938251.db2.gz KBNPYVPMILVNJR-UHFFFAOYSA-N 0 0 419.750 5.764 40 0 HKABRN O=C(CN(c1ccc(Br)cc1)C1=NCCCCC1)c1ccc(Cl)cc1 ZINC000008418601 568500640 /nfs/dbraw/zinc/50/06/40/568500640.db2.gz JTBGALIQGQPBMJ-UHFFFAOYSA-N 0 0 419.750 5.764 40 0 HKABRN O=C(CN(c1ccc(Br)cc1)C1=NCCCCC1)c1ccc(F)cc1 ZINC000008418604 568500687 /nfs/dbraw/zinc/50/06/87/568500687.db2.gz VCAIIPGPAPTZEB-UHFFFAOYSA-N 0 0 403.295 5.250 40 0 HKABRN O=C(CN(c1ccc(Cl)cc1)C1=NCCCCC1)c1ccc(Br)cc1 ZINC000008418612 568938336 /nfs/dbraw/zinc/93/83/36/568938336.db2.gz ZBMFLAXIWCAMIQ-UHFFFAOYSA-N 0 0 419.750 5.764 40 0 HKABRN O=C(CN(c1ccc(Cl)cc1)C1=NCCCCC1)c1ccc(OC(F)F)cc1 ZINC000008418619 568500681 /nfs/dbraw/zinc/50/06/81/568500681.db2.gz HQLNFNBLLAKPLW-UHFFFAOYSA-N 0 0 406.860 5.603 40 0 HKABRN O=C(CN(c1ccc(OC(F)F)cc1)C1=NCCCCC1)c1ccc(Cl)cc1 ZINC000008418630 568500600 /nfs/dbraw/zinc/50/06/00/568500600.db2.gz FXOLTOIXACIKDM-UHFFFAOYSA-N 0 0 406.860 5.603 40 0 HKABRN O=C(CN(c1ccc(Cl)cc1)C1=NCCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000008418840 568500625 /nfs/dbraw/zinc/50/06/25/568500625.db2.gz UECLPALSIIYURT-UHFFFAOYSA-N 0 0 409.744 6.309 40 0 HKABRN Clc1ccc(COc2ccc(Cl)cc2CNCc2cccnc2)c(Cl)c1 ZINC000008419374 557787384 /nfs/dbraw/zinc/78/73/84/557787384.db2.gz MMUDTTGMPOMNBM-UHFFFAOYSA-N 0 0 407.728 5.911 40 0 HKABRN CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000008433661 569340875 /nfs/dbraw/zinc/34/08/75/569340875.db2.gz RAPNXRYKBZQULP-UHFFFAOYSA-N 0 0 403.478 5.399 40 0 HKABRN O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000008433664 569340895 /nfs/dbraw/zinc/34/08/95/569340895.db2.gz NQVMMEFDBQLSRB-UHFFFAOYSA-N 0 0 415.367 5.293 40 0 HKABRN Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3)c2C)cc1 ZINC000008433689 557788661 /nfs/dbraw/zinc/78/86/61/557788661.db2.gz PHNVNVMZXWKZDV-UHFFFAOYSA-N 0 0 410.473 5.314 40 0 HKABRN O=C1C[C@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1cccc(Cl)c1Cl ZINC000008433949 557788599 /nfs/dbraw/zinc/78/85/99/557788599.db2.gz XDDZUAUBLCQSEK-NSHDSACASA-N 0 0 404.080 5.044 40 0 HKABRN O=C(Nc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1)c1ccco1 ZINC000008434657 569341119 /nfs/dbraw/zinc/34/11/19/569341119.db2.gz NDKCEFRPQJEQNM-UHFFFAOYSA-N 0 0 412.445 5.363 40 0 HKABRN Cc1cccc(N(c2ccc3ccccc3c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000008434718 569341123 /nfs/dbraw/zinc/34/11/23/569341123.db2.gz XJNMYJKDKBFMNA-UHFFFAOYSA-N 0 0 407.922 6.329 40 0 HKABRN O=C(Nc1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1)c1ccccc1 ZINC000008434724 569341139 /nfs/dbraw/zinc/34/11/39/569341139.db2.gz OWOBCKSBCYPJKZ-UHFFFAOYSA-N 0 0 411.244 5.046 40 0 HKABRN O=C(Nc1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1)c1ccccc1 ZINC000008434727 569341090 /nfs/dbraw/zinc/34/10/90/569341090.db2.gz DLGDQADYYZYPOD-UHFFFAOYSA-N 0 0 411.244 5.046 40 0 HKABRN O=C(Nc1ccccc1)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 ZINC000008434729 569341107 /nfs/dbraw/zinc/34/11/07/569341107.db2.gz DRHUFLNQAATFCO-UHFFFAOYSA-N 0 0 411.244 5.046 40 0 HKABRN O=C(Nc1ccccc1)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000008434733 569341138 /nfs/dbraw/zinc/34/11/38/569341138.db2.gz OHVSVEDMHSINTM-UHFFFAOYSA-N 0 0 411.244 5.046 40 0 HKABRN Clc1ccccc1COc1ccc(Br)cc1CNCc1ccccn1 ZINC000008435784 557788841 /nfs/dbraw/zinc/78/88/41/557788841.db2.gz BBOIYFACHMKEHL-UHFFFAOYSA-N 0 0 417.734 5.366 40 0 HKABRN O=C(Cn1nc(CNc2ccc(F)cc2)n(-c2ccccc2)c1=S)c1ccccc1 ZINC000008435935 568501115 /nfs/dbraw/zinc/50/11/15/568501115.db2.gz VRMRNPNLYFOJNN-UHFFFAOYSA-N 0 0 418.497 5.037 40 0 HKABRN O=C(Cn1nc(-c2ccccc2Cl)n(-c2ccccc2)c1=S)c1ccccc1 ZINC000008435936 568501085 /nfs/dbraw/zinc/50/10/85/568501085.db2.gz STWJNNWXTFCCNP-UHFFFAOYSA-N 0 0 405.910 5.607 40 0 HKABRN OCCN(Cc1ccccc1)c1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000008436005 557788888 /nfs/dbraw/zinc/78/88/88/557788888.db2.gz IDJHYCQTZNFPAL-UHFFFAOYSA-N 0 0 420.516 5.086 40 0 HKABRN O=C(CN(c1ccc(Cl)cc1)C1=NCCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000008436372 568501092 /nfs/dbraw/zinc/50/10/92/568501092.db2.gz XAVBTAPWFLIPFX-UHFFFAOYSA-N 0 0 416.952 6.669 40 0 HKABRN O=C(CSc1nccc2ccccc21)N1c2ccccc2Sc2ccccc21 ZINC000008436663 557789167 /nfs/dbraw/zinc/78/91/67/557789167.db2.gz JBCOYJAMTMJXPT-UHFFFAOYSA-N 0 0 400.528 6.156 40 0 HKABRN Clc1ccc(COc2ccc(Br)cc2CNCc2ccccn2)cc1 ZINC000008436754 557789191 /nfs/dbraw/zinc/78/91/91/557789191.db2.gz QFBVHRVKDSYCAJ-UHFFFAOYSA-N 0 0 417.734 5.366 40 0 HKABRN Clc1ccc(COc2ccc(Cl)cc2CNCc2ccccn2)c(Cl)c1 ZINC000008436757 557789084 /nfs/dbraw/zinc/78/90/84/557789084.db2.gz KVKYRAXSRSXVHH-UHFFFAOYSA-N 0 0 407.728 5.911 40 0 HKABRN O=C(/C=C\c1ccccc1)Nc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000008440800 557789631 /nfs/dbraw/zinc/78/96/31/557789631.db2.gz HZMJLPFWQKDPFZ-RAXLEYEMSA-N 0 0 419.278 5.909 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000008470700 569341137 /nfs/dbraw/zinc/34/11/37/569341137.db2.gz UAKVWJYDNSFWCJ-UHFFFAOYSA-N 0 0 409.283 5.262 40 0 HKABRN Cc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000008470704 569341161 /nfs/dbraw/zinc/34/11/61/569341161.db2.gz NTDFCAXTHDRSNM-UHFFFAOYSA-N 0 0 409.283 5.262 40 0 HKABRN CN(C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)C1CCCCC1 ZINC000008470754 560754711 /nfs/dbraw/zinc/75/47/11/560754711.db2.gz IVBNEZGNVIAVLC-UHFFFAOYSA-N 0 0 415.331 5.106 40 0 HKABRN Cc1ccc(NC(=O)c2ccccc2C(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000008470761 569341186 /nfs/dbraw/zinc/34/11/86/569341186.db2.gz WRZHDMOOISMVKZ-UHFFFAOYSA-N 0 0 406.485 6.226 40 0 HKABRN Cc1cccc(NC(=O)c2ccccc2C(=O)N(c2ccccc2)c2ccccc2)c1 ZINC000008470765 569341178 /nfs/dbraw/zinc/34/11/78/569341178.db2.gz FNAAFEAKYHQBPF-UHFFFAOYSA-N 0 0 406.485 6.226 40 0 HKABRN Cc1ccccc1NC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1 ZINC000008470769 569341185 /nfs/dbraw/zinc/34/11/85/569341185.db2.gz DCBPPAXAKMGVTK-UHFFFAOYSA-N 0 0 406.485 6.226 40 0 HKABRN CN(C(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000008470845 569341173 /nfs/dbraw/zinc/34/11/73/569341173.db2.gz IBASZESHKMBYGC-UHFFFAOYSA-N 0 0 412.533 6.070 40 0 HKABRN C[C@H](NC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008470847 569341159 /nfs/dbraw/zinc/34/11/59/569341159.db2.gz TZNGBEUIRZITCZ-NRFANRHFSA-N 0 0 420.512 6.156 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008470851 569341189 /nfs/dbraw/zinc/34/11/89/569341189.db2.gz TZNGBEUIRZITCZ-OAQYLSRUSA-N 0 0 420.512 6.156 40 0 HKABRN O=C(Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)c1ccccc1 ZINC000008470877 569341149 /nfs/dbraw/zinc/34/11/49/569341149.db2.gz RTBUHJKKUJWFQE-UHFFFAOYSA-N 0 0 408.457 5.984 40 0 HKABRN O=C(Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1)c1ccccc1 ZINC000008470883 569341174 /nfs/dbraw/zinc/34/11/74/569341174.db2.gz VBTSUFSVMUBJMM-UHFFFAOYSA-N 0 0 408.457 5.984 40 0 HKABRN O=C(CCc1ccccc1)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000008471425 560754703 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HKABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2=O)cc1Cl ZINC000008475425 569341244 /nfs/dbraw/zinc/34/12/44/569341244.db2.gz DMNUNXMMYSLFNY-OAHLLOKOSA-N 0 0 418.880 5.539 40 0 HKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2=O)cc1Cl ZINC000008475426 569341271 /nfs/dbraw/zinc/34/12/71/569341271.db2.gz DMNUNXMMYSLFNY-HNNXBMFYSA-N 0 0 418.880 5.539 40 0 HKABRN Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O ZINC000008475492 569341321 /nfs/dbraw/zinc/34/13/21/569341321.db2.gz LCQWXTZSQHRUCW-OAHLLOKOSA-N 0 0 418.880 5.539 40 0 HKABRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O ZINC000008475494 569341337 /nfs/dbraw/zinc/34/13/37/569341337.db2.gz LCQWXTZSQHRUCW-HNNXBMFYSA-N 0 0 418.880 5.539 40 0 HKABRN O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000008475507 560754757 /nfs/dbraw/zinc/75/47/57/560754757.db2.gz ZKBHEUPKPYXBGL-CQSZACIVSA-N 0 0 404.853 5.231 40 0 HKABRN O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000008475508 560754723 /nfs/dbraw/zinc/75/47/23/560754723.db2.gz ZKBHEUPKPYXBGL-AWEZNQCLSA-N 0 0 404.853 5.231 40 0 HKABRN Cc1ccc(C)n1N(Cc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1 ZINC000008475541 569341306 /nfs/dbraw/zinc/34/13/06/569341306.db2.gz NBIXAMQHWGNKBT-UHFFFAOYSA-N 0 0 417.734 5.499 40 0 HKABRN Cc1ccc(C)n1N(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1 ZINC000008475543 569341323 /nfs/dbraw/zinc/34/13/23/569341323.db2.gz MNKNWTSEYZLZEI-UHFFFAOYSA-N 0 0 407.728 6.044 40 0 HKABRN Cc1ccc(C)n1N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)cc1 ZINC000008475545 569341322 /nfs/dbraw/zinc/34/13/22/569341322.db2.gz QTKLGUPVOBNTEM-UHFFFAOYSA-N 0 0 407.728 6.044 40 0 HKABRN Cc1ccc(C)n1N(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000008475555 569341325 /nfs/dbraw/zinc/34/13/25/569341325.db2.gz GMMPQIQFIHAJBH-UHFFFAOYSA-N 0 0 407.728 6.044 40 0 HKABRN Cc1ccc(C)n1N(Cc1ccccc1Cl)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000008475557 569341314 /nfs/dbraw/zinc/34/13/14/569341314.db2.gz OSGSVIRFKUYNON-UHFFFAOYSA-N 0 0 407.728 6.044 40 0 HKABRN Cc1ccc(C)n1N(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1Cl ZINC000008475562 560556111 /nfs/dbraw/zinc/55/61/11/560556111.db2.gz YUOSJRCDMKAMGC-UHFFFAOYSA-N 0 0 407.728 6.044 40 0 HKABRN Cc1ccc(C)n1N(Cc1ccccc1Cl)C(=O)c1ccc(Cl)cc1Cl ZINC000008475563 560556076 /nfs/dbraw/zinc/55/60/76/560556076.db2.gz LDUBRUIFVGGLFR-UHFFFAOYSA-N 0 0 407.728 6.044 40 0 HKABRN Cc1ccc(C)n1N(Cc1ccc(Br)cc1)C(=O)c1ccccc1Cl ZINC000008475568 560556085 /nfs/dbraw/zinc/55/60/85/560556085.db2.gz GBSZZSARLMKCKD-UHFFFAOYSA-N 0 0 417.734 5.499 40 0 HKABRN Cc1ccc(C)n1N(Cc1ccc(Cl)cc1Cl)C(=O)c1ccccc1Cl ZINC000008475569 560556110 /nfs/dbraw/zinc/55/61/10/560556110.db2.gz NNNAPUNBGSMVDX-UHFFFAOYSA-N 0 0 407.728 6.044 40 0 HKABRN Cc1ccc(C)n1N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1Cl ZINC000008475570 560556083 /nfs/dbraw/zinc/55/60/83/560556083.db2.gz RLUVWVMPUQCXFT-UHFFFAOYSA-N 0 0 407.728 6.044 40 0 HKABRN Cc1ccc(C)n1N(CC(=O)c1ccc(C)cc1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000008475586 569341316 /nfs/dbraw/zinc/34/13/16/569341316.db2.gz HPLJEVCKFSBYTC-UHFFFAOYSA-N 0 0 415.320 5.381 40 0 HKABRN Cc1ccc(C)n1N(CC(=O)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000008475587 569341300 /nfs/dbraw/zinc/34/13/00/569341300.db2.gz NJYXBDOWKZZKHA-UHFFFAOYSA-N 0 0 401.293 5.073 40 0 HKABRN Cc1ccc(C)n1N(CC(=O)c1ccc(C)cc1)C(=O)c1ccc(Cl)cc1Cl ZINC000008475588 569341307 /nfs/dbraw/zinc/34/13/07/569341307.db2.gz DOPNHCLHZBTGPW-UHFFFAOYSA-N 0 0 415.320 5.381 40 0 HKABRN Cc1ccc(C)n1N(CC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1Cl ZINC000008475590 569341331 /nfs/dbraw/zinc/34/13/31/569341331.db2.gz AIZMKQSJRWBBAM-UHFFFAOYSA-N 0 0 401.293 5.073 40 0 HKABRN Cc1ccc(C)n1N(CC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1Cl ZINC000008475593 569341324 /nfs/dbraw/zinc/34/13/24/569341324.db2.gz MUNWOHNUXKPSHF-UHFFFAOYSA-N 0 0 401.293 5.073 40 0 HKABRN Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000008475615 569341328 /nfs/dbraw/zinc/34/13/28/569341328.db2.gz RTRDMKMBPABEIJ-UHFFFAOYSA-N 0 0 402.281 5.048 40 0 HKABRN Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000008475622 569341301 /nfs/dbraw/zinc/34/13/01/569341301.db2.gz IOICGPALPRVLFR-UHFFFAOYSA-N 0 0 402.281 5.048 40 0 HKABRN Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000008475628 569341327 /nfs/dbraw/zinc/34/13/27/569341327.db2.gz NAZCPWSUUZLQAP-UHFFFAOYSA-N 0 0 423.516 5.259 40 0 HKABRN Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000008475636 569341333 /nfs/dbraw/zinc/34/13/33/569341333.db2.gz XDLYLLIOXDWQGO-UHFFFAOYSA-N 0 0 402.281 5.048 40 0 HKABRN Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000008475643 569341310 /nfs/dbraw/zinc/34/13/10/569341310.db2.gz UYRKQPRSBYXDKS-UHFFFAOYSA-N 0 0 402.281 5.048 40 0 HKABRN Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000008475649 569341329 /nfs/dbraw/zinc/34/13/29/569341329.db2.gz LYPZWAFOGMUXEW-UHFFFAOYSA-N 0 0 423.516 5.259 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(Cl)cc2)cc1 ZINC000008476368 569341418 /nfs/dbraw/zinc/34/14/18/569341418.db2.gz BNQLSBPWVXFQMS-UHFFFAOYSA-N 0 0 424.932 5.049 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2cccc(Cl)c2)cc1 ZINC000008476371 569341397 /nfs/dbraw/zinc/34/13/97/569341397.db2.gz MZMBZTLBYRCFQY-UHFFFAOYSA-N 0 0 424.932 5.049 40 0 HKABRN Cc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccc(Cl)cc2)c(C)c1 ZINC000008476432 569341434 /nfs/dbraw/zinc/34/14/34/569341434.db2.gz XYXMEQZFAIGKLU-UHFFFAOYSA-N 0 0 416.912 5.135 40 0 HKABRN Cc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2cccc(Cl)c2)c(C)c1 ZINC000008476436 569341439 /nfs/dbraw/zinc/34/14/39/569341439.db2.gz YNQXQRAUHRYMEH-UHFFFAOYSA-N 0 0 416.912 5.135 40 0 HKABRN Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(Cl)cc2)c(C)c1 ZINC000008476442 569341398 /nfs/dbraw/zinc/34/13/98/569341398.db2.gz HURNCVYUOGMPHZ-UHFFFAOYSA-N 0 0 408.933 5.267 40 0 HKABRN Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2cccc(Cl)c2)c(C)c1 ZINC000008476445 569341409 /nfs/dbraw/zinc/34/14/09/569341409.db2.gz UEVLQACMSZVRIU-UHFFFAOYSA-N 0 0 408.933 5.267 40 0 HKABRN Cc1cccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccc(Cl)cc2)c1C ZINC000008476597 569341414 /nfs/dbraw/zinc/34/14/14/569341414.db2.gz GDXIGIYKOHSQEZ-UHFFFAOYSA-N 0 0 416.912 5.135 40 0 HKABRN Cc1cccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2cccc(Cl)c2)c1C ZINC000008476599 569341420 /nfs/dbraw/zinc/34/14/20/569341420.db2.gz LPHKODDSZSXDBO-UHFFFAOYSA-N 0 0 416.912 5.135 40 0 HKABRN Cc1cccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(Cl)cc2)c1C ZINC000008476604 569341396 /nfs/dbraw/zinc/34/13/96/569341396.db2.gz HJLMWYXHADSPDM-UHFFFAOYSA-N 0 0 408.933 5.267 40 0 HKABRN Cc1cccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2cccc(Cl)c2)c1C ZINC000008476607 569341436 /nfs/dbraw/zinc/34/14/36/569341436.db2.gz NHSQIMJCGHYCSQ-UHFFFAOYSA-N 0 0 408.933 5.267 40 0 HKABRN Cc1ccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2cccc(Cl)c2C)cc1 ZINC000008476651 569341443 /nfs/dbraw/zinc/34/14/43/569341443.db2.gz PGYLMXOIXGIEOI-UHFFFAOYSA-N 0 0 416.912 5.135 40 0 HKABRN Cc1cccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2cccc(Cl)c2C)c1 ZINC000008476652 569341422 /nfs/dbraw/zinc/34/14/22/569341422.db2.gz ZKJZNRMYQLQQOO-UHFFFAOYSA-N 0 0 416.912 5.135 40 0 HKABRN Cc1ccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2cccc(Cl)c2C)cc1 ZINC000008476656 569341403 /nfs/dbraw/zinc/34/14/03/569341403.db2.gz INHOXZCOPUETBV-UHFFFAOYSA-N 0 0 408.933 5.267 40 0 HKABRN Cc1cccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2cccc(Cl)c2C)c1 ZINC000008476657 569341407 /nfs/dbraw/zinc/34/14/07/569341407.db2.gz IVXIMQLFXOTCKE-UHFFFAOYSA-N 0 0 408.933 5.267 40 0 HKABRN Cc1c(Cl)cccc1-n1nc(C(=O)NC2CCCCC2)nc1-c1ccc(F)cc1 ZINC000008476659 569341429 /nfs/dbraw/zinc/34/14/29/569341429.db2.gz CGGVIZPRPLKIQK-UHFFFAOYSA-N 0 0 412.896 5.098 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccc(Cl)cc2)c1 ZINC000008476706 569341440 /nfs/dbraw/zinc/34/14/40/569341440.db2.gz FFFFCPZZWMJVHG-UHFFFAOYSA-N 0 0 416.912 5.135 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)NCc3ccccc3)nc2-c2cccc(Cl)c2)c1 ZINC000008476709 569341404 /nfs/dbraw/zinc/34/14/04/569341404.db2.gz APPYWMWUNIYSBE-UHFFFAOYSA-N 0 0 416.912 5.135 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(Cl)cc2)c1 ZINC000008476715 569341411 /nfs/dbraw/zinc/34/14/11/569341411.db2.gz XGWXMNZBKWEGDZ-UHFFFAOYSA-N 0 0 408.933 5.267 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)NC3CCCCC3)nc2-c2cccc(Cl)c2)c1 ZINC000008476718 569341421 /nfs/dbraw/zinc/34/14/21/569341421.db2.gz JVHSOVXMZSXVFI-UHFFFAOYSA-N 0 0 408.933 5.267 40 0 HKABRN Cc1ccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2cc(Cl)ccc2C)cc1 ZINC000008476759 569341417 /nfs/dbraw/zinc/34/14/17/569341417.db2.gz QHTAUPXVSOCMIS-UHFFFAOYSA-N 0 0 416.912 5.135 40 0 HKABRN Cc1cccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2cc(Cl)ccc2C)c1 ZINC000008476760 569341484 /nfs/dbraw/zinc/34/14/84/569341484.db2.gz DJDNPSBHPZTKET-UHFFFAOYSA-N 0 0 416.912 5.135 40 0 HKABRN Cc1ccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2cc(Cl)ccc2C)cc1 ZINC000008476762 569341489 /nfs/dbraw/zinc/34/14/89/569341489.db2.gz INIBVCBNDKEXTA-UHFFFAOYSA-N 0 0 408.933 5.267 40 0 HKABRN Cc1cccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2cc(Cl)ccc2C)c1 ZINC000008476763 569341458 /nfs/dbraw/zinc/34/14/58/569341458.db2.gz YXWVRKPRWDFENR-UHFFFAOYSA-N 0 0 408.933 5.267 40 0 HKABRN Cc1ccc(Cl)cc1-n1nc(C(=O)NC2CCCCC2)nc1-c1ccc(F)cc1 ZINC000008476764 569341451 /nfs/dbraw/zinc/34/14/51/569341451.db2.gz KKGKSULMTCKTNK-UHFFFAOYSA-N 0 0 412.896 5.098 40 0 HKABRN O=C(NC1CCCCC1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000008476802 569341493 /nfs/dbraw/zinc/34/14/93/569341493.db2.gz AUBLPXVBXQNRFQ-UHFFFAOYSA-N 0 0 415.324 5.304 40 0 HKABRN O=C(NC1CCCCC1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 ZINC000008476804 569341491 /nfs/dbraw/zinc/34/14/91/569341491.db2.gz MCAHDKZYBFFXSE-UHFFFAOYSA-N 0 0 415.324 5.304 40 0 HKABRN Cc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccc(Cl)cc2)cc1C ZINC000008476946 569341449 /nfs/dbraw/zinc/34/14/49/569341449.db2.gz LVEQSWONCJZGAY-UHFFFAOYSA-N 0 0 416.912 5.135 40 0 HKABRN Cc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2cccc(Cl)c2)cc1C ZINC000008476950 569341472 /nfs/dbraw/zinc/34/14/72/569341472.db2.gz PWNQTTKSBMLMBU-UHFFFAOYSA-N 0 0 416.912 5.135 40 0 HKABRN Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(Cl)cc2)cc1C ZINC000008476956 569341487 /nfs/dbraw/zinc/34/14/87/569341487.db2.gz UBBKMZQANGSURY-UHFFFAOYSA-N 0 0 408.933 5.267 40 0 HKABRN Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2cccc(Cl)c2)cc1C ZINC000008476959 569341455 /nfs/dbraw/zinc/34/14/55/569341455.db2.gz OJHBYFOKWAXKMY-UHFFFAOYSA-N 0 0 408.933 5.267 40 0 HKABRN Cc1ccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2ccc(C)c(Cl)c2)cc1 ZINC000008476992 569341483 /nfs/dbraw/zinc/34/14/83/569341483.db2.gz GTAWBZYATAIMDL-UHFFFAOYSA-N 0 0 416.912 5.135 40 0 HKABRN Cc1cccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2ccc(C)c(Cl)c2)c1 ZINC000008476994 569341463 /nfs/dbraw/zinc/34/14/63/569341463.db2.gz RLNWTSFIRJNMPV-UHFFFAOYSA-N 0 0 416.912 5.135 40 0 HKABRN Cc1ccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccc(C)c(Cl)c2)cc1 ZINC000008476996 569341448 /nfs/dbraw/zinc/34/14/48/569341448.db2.gz SUZIOBBUDNFNMA-UHFFFAOYSA-N 0 0 408.933 5.267 40 0 HKABRN Cc1cccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccc(C)c(Cl)c2)c1 ZINC000008476997 569341456 /nfs/dbraw/zinc/34/14/56/569341456.db2.gz WYAJCSRKYVRCIA-UHFFFAOYSA-N 0 0 408.933 5.267 40 0 HKABRN Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(F)cc2)cc1Cl ZINC000008476998 569341481 /nfs/dbraw/zinc/34/14/81/569341481.db2.gz MYMGIZYGQKLKLC-UHFFFAOYSA-N 0 0 412.896 5.098 40 0 HKABRN O=C(NC1CCCCC1)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000008477037 569341488 /nfs/dbraw/zinc/34/14/88/569341488.db2.gz DOIFSSPMWCRRDO-UHFFFAOYSA-N 0 0 415.324 5.304 40 0 HKABRN CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000008477058 560562108 /nfs/dbraw/zinc/56/21/08/560562108.db2.gz IMQKGPSDUIFQHM-UHFFFAOYSA-N 0 0 409.704 5.034 40 0 HKABRN CCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000008477060 560562102 /nfs/dbraw/zinc/56/21/02/560562102.db2.gz BMXVRVOMQRQKIV-UHFFFAOYSA-N 0 0 409.704 5.034 40 0 HKABRN CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000008477784 569341631 /nfs/dbraw/zinc/34/16/31/569341631.db2.gz ZMXFGBRHTQKWAF-NRFANRHFSA-N 0 0 407.535 5.784 40 0 HKABRN CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000008477787 569341596 /nfs/dbraw/zinc/34/15/96/569341596.db2.gz ZMXFGBRHTQKWAF-OAQYLSRUSA-N 0 0 407.535 5.784 40 0 HKABRN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000008477982 560754822 /nfs/dbraw/zinc/75/48/22/560754822.db2.gz HZTYTKPBRRAYCD-KRWDZBQOSA-N 0 0 407.897 5.594 40 0 HKABRN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000008477985 560754836 /nfs/dbraw/zinc/75/48/36/560754836.db2.gz HZTYTKPBRRAYCD-QGZVFWFLSA-N 0 0 407.897 5.594 40 0 HKABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000008478073 569341613 /nfs/dbraw/zinc/34/16/13/569341613.db2.gz PKMGPZPVGKYDGJ-NRFANRHFSA-N 0 0 414.933 5.199 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000008478076 569341625 /nfs/dbraw/zinc/34/16/25/569341625.db2.gz PKMGPZPVGKYDGJ-OAQYLSRUSA-N 0 0 414.933 5.199 40 0 HKABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000008478417 569341601 /nfs/dbraw/zinc/34/16/01/569341601.db2.gz NVLZEEIZTSQSQZ-NRFANRHFSA-N 0 0 414.933 5.152 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000008478420 569341627 /nfs/dbraw/zinc/34/16/27/569341627.db2.gz NVLZEEIZTSQSQZ-OAQYLSRUSA-N 0 0 414.933 5.152 40 0 HKABRN CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000008478485 569341635 /nfs/dbraw/zinc/34/16/35/569341635.db2.gz NTWYSNRRYWJXEM-QFIPXVFZSA-N 0 0 421.562 6.092 40 0 HKABRN CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000008478487 569341609 /nfs/dbraw/zinc/34/16/09/569341609.db2.gz NTWYSNRRYWJXEM-JOCHJYFZSA-N 0 0 421.562 6.092 40 0 HKABRN CCSc1ccccc1C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000008478594 569341629 /nfs/dbraw/zinc/34/16/29/569341629.db2.gz ONYFTGUQFYDQKC-UHFFFAOYSA-N 0 0 400.396 5.769 40 0 HKABRN CCOC(=O)c1c(NC(=O)c2ccccc2SC(C)C)sc2c1CCCC2 ZINC000008479228 560754833 /nfs/dbraw/zinc/75/48/33/560754833.db2.gz DONCLHYRVCSCSB-UHFFFAOYSA-N 0 0 403.569 5.556 40 0 HKABRN CCSc1ccccc1C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000008479297 569341620 /nfs/dbraw/zinc/34/16/20/569341620.db2.gz PDPDNSAIIGSBTA-UHFFFAOYSA-N 0 0 400.396 5.769 40 0 HKABRN CC(C)Sc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000008479367 569341632 /nfs/dbraw/zinc/34/16/32/569341632.db2.gz OPLRRMSGHXCMTA-SFHVURJKSA-N 0 0 418.562 5.930 40 0 HKABRN CC(C)Sc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000008479372 569341595 /nfs/dbraw/zinc/34/15/95/569341595.db2.gz OPLRRMSGHXCMTA-GOSISDBHSA-N 0 0 418.562 5.930 40 0 HKABRN CC[C@H](Oc1ccccc1F)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000008479596 560585463 /nfs/dbraw/zinc/58/54/63/560585463.db2.gz NZOBXFDYTBCYKN-KRWDZBQOSA-N 0 0 416.345 5.340 40 0 HKABRN CC[C@@H](Oc1ccccc1F)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000008479601 560587868 /nfs/dbraw/zinc/58/78/68/560587868.db2.gz NZOBXFDYTBCYKN-QGZVFWFLSA-N 0 0 416.345 5.340 40 0 HKABRN CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000008479918 569341594 /nfs/dbraw/zinc/34/15/94/569341594.db2.gz DDSSKTBGCPZRBK-FQEVSTJZSA-N 0 0 411.860 5.506 40 0 HKABRN CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000008479922 569341602 /nfs/dbraw/zinc/34/16/02/569341602.db2.gz DDSSKTBGCPZRBK-HXUWFJFHSA-N 0 0 411.860 5.506 40 0 HKABRN COc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C(C)C ZINC000008480368 569341618 /nfs/dbraw/zinc/34/16/18/569341618.db2.gz BWVUZOYVROUDKB-UHFFFAOYSA-N 0 0 408.734 5.580 40 0 HKABRN Cc1nn2cc(C(=O)Nc3ccccc3Cl)c(C)nc2c1-c1ccc(Cl)cc1 ZINC000008490676 560754819 /nfs/dbraw/zinc/75/48/19/560754819.db2.gz VUOPGZOIIBEWSV-UHFFFAOYSA-N 0 0 411.292 5.572 40 0 HKABRN COc1ccc(OC)c(NC(=O)c2ccc(-n3nc(C)cc3-c3ccccc3)cc2)c1 ZINC000008491414 571061531 /nfs/dbraw/zinc/06/15/31/571061531.db2.gz KZEVGXAMLVFKRB-UHFFFAOYSA-N 0 0 413.477 5.117 40 0 HKABRN COc1ccc(NC(=O)c2ccc(-n3nc(C)cc3-c3ccccc3)cc2)c(OC)c1 ZINC000008491426 571061437 /nfs/dbraw/zinc/06/14/37/571061437.db2.gz WMFLGIXUQGFMEV-UHFFFAOYSA-N 0 0 413.477 5.117 40 0 HKABRN Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c(C)c1 ZINC000008492383 569341664 /nfs/dbraw/zinc/34/16/64/569341664.db2.gz RGRVSUKQWWMIFH-HNNXBMFYSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c(C)c1 ZINC000008492391 569341685 /nfs/dbraw/zinc/34/16/85/569341685.db2.gz RGRVSUKQWWMIFH-OAHLLOKOSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000008492972 569341652 /nfs/dbraw/zinc/34/16/52/569341652.db2.gz VLKRZBCFJSQRRJ-HNNXBMFYSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000008492986 569341670 /nfs/dbraw/zinc/34/16/70/569341670.db2.gz VLKRZBCFJSQRRJ-OAHLLOKOSA-N 0 0 412.382 5.427 40 0 HKABRN COc1ccc(-c2ccc(CNn3c(=S)[nH]nc3-c3ccccc3)o2)cc1Cl ZINC000008493146 560754955 /nfs/dbraw/zinc/75/49/55/560754955.db2.gz VRTMYWMTRDXGFL-UHFFFAOYSA-N 0 0 412.902 5.273 40 0 HKABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C ZINC000008494872 569341646 /nfs/dbraw/zinc/34/16/46/569341646.db2.gz SETAHXISOFOKPV-PMACEKPBSA-N 0 0 416.521 5.200 40 0 HKABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C ZINC000008494879 569341644 /nfs/dbraw/zinc/34/16/44/569341644.db2.gz SETAHXISOFOKPV-VQTJNVASSA-N 0 0 416.521 5.200 40 0 HKABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1C ZINC000008494887 569341665 /nfs/dbraw/zinc/34/16/65/569341665.db2.gz SETAHXISOFOKPV-UXHICEINSA-N 0 0 416.521 5.200 40 0 HKABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1C ZINC000008494897 569341638 /nfs/dbraw/zinc/34/16/38/569341638.db2.gz SETAHXISOFOKPV-WOJBJXKFSA-N 0 0 416.521 5.200 40 0 HKABRN COc1cccc(CNCc2ccccc2Cl)c1OCc1ccc(Cl)cc1 ZINC000008495332 557793470 /nfs/dbraw/zinc/79/34/70/557793470.db2.gz JWKXHBSKZQIIGS-UHFFFAOYSA-N 0 0 402.321 5.871 40 0 HKABRN COc1cccc(CNCc2ccccc2Cl)c1OCc1ccccc1Cl ZINC000008495622 557793540 /nfs/dbraw/zinc/79/35/40/557793540.db2.gz HRLNMEUOXNHLFE-UHFFFAOYSA-N 0 0 402.321 5.871 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1SC(C)C ZINC000008496041 569341659 /nfs/dbraw/zinc/34/16/59/569341659.db2.gz KOUJSPPRARFTDC-UHFFFAOYSA-N 0 0 407.604 7.040 40 0 HKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000008496604 560754902 /nfs/dbraw/zinc/75/49/02/560754902.db2.gz FYLGYYQVHTVLHR-UHFFFAOYSA-N 0 0 412.902 5.273 40 0 HKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(-c2cccc(Cl)c2)o1 ZINC000008496610 560754941 /nfs/dbraw/zinc/75/49/41/560754941.db2.gz YEYVOJUSGUDCJP-UHFFFAOYSA-N 0 0 412.902 5.273 40 0 HKABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c(C)c1 ZINC000008496762 569341682 /nfs/dbraw/zinc/34/16/82/569341682.db2.gz LMAQQYAXJQIHMD-FQEVSTJZSA-N 0 0 405.563 6.310 40 0 HKABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c(C)c1 ZINC000008496771 569341658 /nfs/dbraw/zinc/34/16/58/569341658.db2.gz LMAQQYAXJQIHMD-HXUWFJFHSA-N 0 0 405.563 6.310 40 0 HKABRN CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000008496852 560636169 /nfs/dbraw/zinc/63/61/69/560636169.db2.gz JCJRYAKOGLJODR-IBGZPJMESA-N 0 0 412.382 5.509 40 0 HKABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000008496861 569341674 /nfs/dbraw/zinc/34/16/74/569341674.db2.gz JCJRYAKOGLJODR-LJQANCHMSA-N 0 0 412.382 5.509 40 0 HKABRN CC(C)Sc1ccccc1C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000008497115 569341651 /nfs/dbraw/zinc/34/16/51/569341651.db2.gz YXHOVJNRFGUCED-UHFFFAOYSA-N 0 0 414.423 6.157 40 0 HKABRN COc1ccccc1O[C@H](C)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000008498260 569341695 /nfs/dbraw/zinc/34/16/95/569341695.db2.gz HOONJKXFXOTHPJ-GOSISDBHSA-N 0 0 407.535 5.702 40 0 HKABRN COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000008498263 569341714 /nfs/dbraw/zinc/34/17/14/569341714.db2.gz HOONJKXFXOTHPJ-SFHVURJKSA-N 0 0 407.535 5.702 40 0 HKABRN CC(C)Sc1ccccc1C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000008498838 569341719 /nfs/dbraw/zinc/34/17/19/569341719.db2.gz IJIZRGPCXCPSQG-UHFFFAOYSA-N 0 0 414.423 6.157 40 0 HKABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C ZINC000008499021 560755040 /nfs/dbraw/zinc/75/50/40/560755040.db2.gz HKJMVJHLKQZCPT-KRWDZBQOSA-N 0 0 407.897 5.594 40 0 HKABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C ZINC000008499026 560755057 /nfs/dbraw/zinc/75/50/57/560755057.db2.gz HKJMVJHLKQZCPT-QGZVFWFLSA-N 0 0 407.897 5.594 40 0 HKABRN CC(C)Sc1ccccc1C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000008499795 569341693 /nfs/dbraw/zinc/34/16/93/569341693.db2.gz ILKRHUPUTYSJQT-UHFFFAOYSA-N 0 0 414.423 6.157 40 0 HKABRN Cc1cc(C)cc(O[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c1 ZINC000008499997 557793494 /nfs/dbraw/zinc/79/34/94/557793494.db2.gz YWYSHQFUMDSJBF-HNNXBMFYSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1cc(C)cc(O[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c1 ZINC000008500001 569341739 /nfs/dbraw/zinc/34/17/39/569341739.db2.gz YWYSHQFUMDSJBF-OAHLLOKOSA-N 0 0 412.382 5.427 40 0 HKABRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C(C)C ZINC000008500015 569341725 /nfs/dbraw/zinc/34/17/25/569341725.db2.gz VKHAEVVBEOSSMQ-UHFFFAOYSA-N 0 0 407.841 5.292 40 0 HKABRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C(C)C ZINC000008500026 560726902 /nfs/dbraw/zinc/72/69/02/560726902.db2.gz ZAGXISJJPHPWGU-UHFFFAOYSA-N 0 0 407.841 5.292 40 0 HKABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000008500094 569341711 /nfs/dbraw/zinc/34/17/11/569341711.db2.gz YLHAYZWEPPDKAI-FQEVSTJZSA-N 0 0 416.304 6.582 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000008500096 569341735 /nfs/dbraw/zinc/34/17/35/569341735.db2.gz YLHAYZWEPPDKAI-HXUWFJFHSA-N 0 0 416.304 6.582 40 0 HKABRN CCn1c(SCc2nnc(-c3cccc(C)c3)o2)nnc1-c1ccc(Cl)cc1 ZINC000008523040 557793747 /nfs/dbraw/zinc/79/37/47/557793747.db2.gz VOMDNJGBELVSDR-UHFFFAOYSA-N 0 0 411.918 5.269 40 0 HKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ncccn2)c2ccccc2)c1C ZINC000008548589 569272747 /nfs/dbraw/zinc/27/27/47/569272747.db2.gz KVVVCYGXWUERAD-OAQYLSRUSA-N 0 0 414.534 5.609 40 0 HKABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2nccs2)c2ccccc2)c1C ZINC000008548590 569272780 /nfs/dbraw/zinc/27/27/80/569272780.db2.gz XTRUYBKSNMHHMJ-HXUWFJFHSA-N 0 0 419.575 6.275 40 0 HKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ncccn2)c2ccccc2)c1C ZINC000008548591 569272730 /nfs/dbraw/zinc/27/27/30/569272730.db2.gz KVVVCYGXWUERAD-NRFANRHFSA-N 0 0 414.534 5.609 40 0 HKABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2nccs2)c2ccccc2)c1C ZINC000008548592 569272792 /nfs/dbraw/zinc/27/27/92/569272792.db2.gz XTRUYBKSNMHHMJ-FQEVSTJZSA-N 0 0 419.575 6.275 40 0 HKABRN Cc1ccc(NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C(=O)c2ccccc2)c1 ZINC000008549603 557794816 /nfs/dbraw/zinc/79/48/16/557794816.db2.gz MEFGXLWXBBXQEM-UHFFFAOYSA-N 0 0 421.496 5.101 40 0 HKABRN Cc1ccc(C(C)C)c(OCc2nn(CC(=O)c3ccc(Cl)cc3)c(=S)o2)c1 ZINC000008549796 568501530 /nfs/dbraw/zinc/50/15/30/568501530.db2.gz RSZGSMAQIYYIOU-UHFFFAOYSA-N 0 0 416.930 5.753 40 0 HKABRN COc1ccc(C(=O)Cn2nc(COc3cc(C)ccc3C(C)C)oc2=S)cc1 ZINC000008549797 568501549 /nfs/dbraw/zinc/50/15/49/568501549.db2.gz ZLYGOBDONXJUIF-UHFFFAOYSA-N 0 0 412.511 5.108 40 0 HKABRN Cc1ccc(C(=O)Cn2nc(COc3ccc(Cl)cc3Cl)oc2=S)cc1 ZINC000008549930 568501531 /nfs/dbraw/zinc/50/15/31/568501531.db2.gz MPXKFYVYNWDXID-UHFFFAOYSA-N 0 0 409.294 5.283 40 0 HKABRN Cc1ccc(NC(=O)N(Cc2cccc(C)c2C)c2nnc3n2CCCCC3)cc1 ZINC000008550218 557794733 /nfs/dbraw/zinc/79/47/33/557794733.db2.gz DIOVIEIKADNTMA-UHFFFAOYSA-N 0 0 403.530 5.168 40 0 HKABRN Cc1ccc(-c2nn(CC(=O)N(c3ccccc3)c3ccccc3)c(=S)o2)cc1 ZINC000008550632 568501562 /nfs/dbraw/zinc/50/15/62/568501562.db2.gz QAABAENWRQLPMZ-UHFFFAOYSA-N 0 0 401.491 5.546 40 0 HKABRN Cc1ccc(-c2nn([C@@H](C)C(=O)c3ccc(Br)cc3)c(=S)o2)cc1 ZINC000008550651 568501547 /nfs/dbraw/zinc/50/15/47/568501547.db2.gz CWCGDTLOUWOMGY-LBPRGKRZSA-N 0 0 403.301 5.387 40 0 HKABRN Cc1ccc(-c2nn([C@H](C)C(=O)c3ccc(Br)cc3)c(=S)o2)cc1 ZINC000008550652 568501545 /nfs/dbraw/zinc/50/15/45/568501545.db2.gz CWCGDTLOUWOMGY-GFCCVEGCSA-N 0 0 403.301 5.387 40 0 HKABRN Cc1ccc(CN(C(=O)Nc2ccccc2)c2nnc3n2CCCCC3)cc1Cl ZINC000008550812 557794791 /nfs/dbraw/zinc/79/47/91/557794791.db2.gz DDIJZODRBALWOP-UHFFFAOYSA-N 0 0 409.921 5.205 40 0 HKABRN Cc1cc(I)ccc1NC(=O)c1ccccc1SC(C)C ZINC000008558363 560754983 /nfs/dbraw/zinc/75/49/83/560754983.db2.gz QPYDGIVNYOEZOJ-UHFFFAOYSA-N 0 0 411.308 5.352 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc(Cl)cc2)sc2c1CCCC2 ZINC000008558758 569341717 /nfs/dbraw/zinc/34/17/17/569341717.db2.gz BTTBTGPMWOZOEM-INIZCTEOSA-N 0 0 421.946 5.253 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)sc2c1CCCC2 ZINC000008558760 569341713 /nfs/dbraw/zinc/34/17/13/569341713.db2.gz BTTBTGPMWOZOEM-MRXNPFEDSA-N 0 0 421.946 5.253 40 0 HKABRN Cc1nn2cc(C(=O)Nc3ccccc3C(F)(F)F)c(C)nc2c1-c1ccccc1 ZINC000008559355 557794939 /nfs/dbraw/zinc/79/49/39/557794939.db2.gz RMMOUAWTGKMDHD-UHFFFAOYSA-N 0 0 410.399 5.284 40 0 HKABRN Cc1nn2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c(C)nc2c1-c1ccccc1 ZINC000008559366 560755540 /nfs/dbraw/zinc/75/55/40/560755540.db2.gz BLBIDNRYKJHHFA-UHFFFAOYSA-N 0 0 410.399 5.284 40 0 HKABRN COc1ccccc1[C@@H]1CC(=O)c2cnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C1 ZINC000008559437 560755517 /nfs/dbraw/zinc/75/55/17/560755517.db2.gz LSRKKEMBOBZXMZ-INIZCTEOSA-N 0 0 417.896 5.279 40 0 HKABRN COc1ccccc1[C@H]1CC(=O)c2cnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C1 ZINC000008559438 560755503 /nfs/dbraw/zinc/75/55/03/560755503.db2.gz LSRKKEMBOBZXMZ-MRXNPFEDSA-N 0 0 417.896 5.279 40 0 HKABRN Cc1ccc2c(c1)N(C(=O)c1cccc(Cl)c1)C(C)(C)C[C@@]2(C)c1ccccc1 ZINC000008559639 560755519 /nfs/dbraw/zinc/75/55/19/560755519.db2.gz YGJMVOYKAFNDKV-SANMLTNESA-N 0 0 403.953 6.784 40 0 HKABRN Cc1ccc2c(c1)N(C(=O)c1cccc(Cl)c1)C(C)(C)C[C@]2(C)c1ccccc1 ZINC000008559643 560755531 /nfs/dbraw/zinc/75/55/31/560755531.db2.gz YGJMVOYKAFNDKV-AREMUKBSSA-N 0 0 403.953 6.784 40 0 HKABRN CSc1ccccc1C(=O)Nc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000008560168 560755647 /nfs/dbraw/zinc/75/56/47/560755647.db2.gz VVUGUJQHQAXTGA-UHFFFAOYSA-N 0 0 405.910 5.924 40 0 HKABRN O=C(Nc1nc2cc(Cl)ccc2s1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000008560658 560755626 /nfs/dbraw/zinc/75/56/26/560755626.db2.gz YSIVARAQGYUIME-UHFFFAOYSA-N 0 0 407.253 6.255 40 0 HKABRN CC(C)OC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000008560784 560755733 /nfs/dbraw/zinc/75/57/33/560755733.db2.gz VOKJEGZCZJZCEK-WYMLVPIESA-N 0 0 409.869 5.817 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000008560849 560755712 /nfs/dbraw/zinc/75/57/12/560755712.db2.gz UJUHPBTUDWHQTQ-RMKNXTFCSA-N 0 0 408.281 5.219 40 0 HKABRN CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000008562967 560755727 /nfs/dbraw/zinc/75/57/27/560755727.db2.gz RIEWYTFYOKZRQL-SFHVURJKSA-N 0 0 402.494 5.217 40 0 HKABRN CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000008562969 560755709 /nfs/dbraw/zinc/75/57/09/560755709.db2.gz RIEWYTFYOKZRQL-GOSISDBHSA-N 0 0 402.494 5.217 40 0 HKABRN CC(C)Oc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000008569115 557795324 /nfs/dbraw/zinc/79/53/24/557795324.db2.gz RBXZFMKSHFDBNL-UHFFFAOYSA-N 0 0 414.299 5.407 40 0 HKABRN CCC(=O)N1c2ccccc2[C@H](N(C(=O)Cc2cccs2)c2ccccc2)C[C@@H]1C ZINC000008570011 560755723 /nfs/dbraw/zinc/75/57/23/560755723.db2.gz XOWFNNZQWHRYMI-FDDCHVKYSA-N 0 0 418.562 5.600 40 0 HKABRN CCC(=O)N1c2ccccc2[C@@H](N(C(=O)Cc2cccs2)c2ccccc2)C[C@@H]1C ZINC000008570012 560755679 /nfs/dbraw/zinc/75/56/79/560755679.db2.gz XOWFNNZQWHRYMI-MBSDFSHPSA-N 0 0 418.562 5.600 40 0 HKABRN CCC(=O)N1c2ccccc2[C@H](N(C(=O)Cc2cccs2)c2ccccc2)C[C@H]1C ZINC000008570013 560755730 /nfs/dbraw/zinc/75/57/30/560755730.db2.gz XOWFNNZQWHRYMI-WZONZLPQSA-N 0 0 418.562 5.600 40 0 HKABRN CCC(=O)N1c2ccccc2[C@@H](N(C(=O)Cc2cccs2)c2ccccc2)C[C@H]1C ZINC000008570014 560755688 /nfs/dbraw/zinc/75/56/88/560755688.db2.gz XOWFNNZQWHRYMI-JPYJTQIMSA-N 0 0 418.562 5.600 40 0 HKABRN Cc1cc(C)nc(Nn2c(-c3ccc(-c4ccccc4)cc3)nc3ccccc3c2=O)n1 ZINC000008570185 560755714 /nfs/dbraw/zinc/75/57/14/560755714.db2.gz CLWINSYDGGBBDE-UHFFFAOYSA-N 0 0 419.488 5.013 40 0 HKABRN COc1ccc(C2=Nc3c(-c4ccccc4)c(C)nn3[C@H](c3ccco3)C2)cc1OC ZINC000008570222 560755708 /nfs/dbraw/zinc/75/57/08/560755708.db2.gz GWNWTRCKRYNTBQ-FQEVSTJZSA-N 0 0 413.477 5.583 40 0 HKABRN COc1ccc(C2=Nc3c(-c4ccccc4)c(C)nn3[C@@H](c3ccco3)C2)cc1OC ZINC000008570223 560755690 /nfs/dbraw/zinc/75/56/90/560755690.db2.gz GWNWTRCKRYNTBQ-HXUWFJFHSA-N 0 0 413.477 5.583 40 0 HKABRN COc1ccc([C@@H]2CC(c3ccco3)=Nc3c(-c4ccccc4)c(C)nn32)cc1OC ZINC000008570228 560755744 /nfs/dbraw/zinc/75/57/44/560755744.db2.gz SIICSETXNJFIFK-FQEVSTJZSA-N 0 0 413.477 5.583 40 0 HKABRN COc1ccc([C@H]2CC(c3ccco3)=Nc3c(-c4ccccc4)c(C)nn32)cc1OC ZINC000008570229 560755725 /nfs/dbraw/zinc/75/57/25/560755725.db2.gz SIICSETXNJFIFK-HXUWFJFHSA-N 0 0 413.477 5.583 40 0 HKABRN Cc1ccccc1CSCCNC(=O)CSCc1c(Cl)cccc1Cl ZINC000008571139 569341754 /nfs/dbraw/zinc/34/17/54/569341754.db2.gz RZZBCQYTSLZNTQ-UHFFFAOYSA-N 0 0 414.423 5.585 40 0 HKABRN Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000008571553 560755820 /nfs/dbraw/zinc/75/58/20/560755820.db2.gz CMEXANACUIMUND-UHFFFAOYSA-N 0 0 408.910 5.943 40 0 HKABRN Cc1ccccc1OCC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000008571556 557795411 /nfs/dbraw/zinc/79/54/11/557795411.db2.gz ZAACCRZSDTZYCW-UHFFFAOYSA-N 0 0 408.910 5.943 40 0 HKABRN C[C@@]1(O)CC[C@H]2[C@H]3CC[C@H]4Cc5nc(-c6ccccc6)ncc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000008582167 557795653 /nfs/dbraw/zinc/79/56/53/557795653.db2.gz PHBHRCDYKYBQFC-CPGVAIEYSA-N 0 0 416.609 5.852 40 0 in-vitro HKABRN CC(=O)O[C@@H]1CC[C@H]2[C@H]3CCC4=Cc5n[nH]c(C(F)(F)F)c5C[C@@]4(C)[C@@H]3CC[C@]12C ZINC000008615170 557796895 /nfs/dbraw/zinc/79/68/95/557796895.db2.gz RMQCASHVRADDSY-STAGHVTPSA-N 0 0 422.491 5.542 40 0 HKABRN CC(=O)O[C@H]1CC[C@H]2[C@H]3CCC4=Cc5n[nH]c(C(F)(F)F)c5C[C@@]4(C)[C@@H]3CC[C@]12C ZINC000008615171 557796856 /nfs/dbraw/zinc/79/68/56/557796856.db2.gz RMQCASHVRADDSY-UFAOCZHDSA-N 0 0 422.491 5.542 40 0 HKABRN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=Cc5n[nH]c(C(F)(F)F)c5C[C@@]4(C)[C@@H]3CC[C@]12C ZINC000008615172 557796831 /nfs/dbraw/zinc/79/68/31/557796831.db2.gz RMQCASHVRADDSY-RQUQERSASA-N 0 0 422.491 5.542 40 0 HKABRN CC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=Cc5n[nH]c(C(F)(F)F)c5C[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000008615173 557796816 /nfs/dbraw/zinc/79/68/16/557796816.db2.gz RMQCASHVRADDSY-PIIMTLLZSA-N 0 0 422.491 5.542 40 0 HKABRN CNC(=O)CC[C@@]1(C)[C@@H]2CC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@H]2CC[C@@H]1O ZINC000008615385 557796862 /nfs/dbraw/zinc/79/68/62/557796862.db2.gz NQHLWIQKUHZEBA-GFJBVHNMSA-N 0 0 419.694 6.195 40 0 HKABRN CNC(=O)CC[C@@]1(C)[C@@H]2CC[C@]3(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]3[C@H]2CC[C@@H]1O ZINC000008615386 557796849 /nfs/dbraw/zinc/79/68/49/557796849.db2.gz NQHLWIQKUHZEBA-QFWISKHRSA-N 0 0 419.694 6.195 40 0 HKABRN CCCC/C=C\[C@@H]1C=C[C@@H](CCCCCCCC(=O)OCC)[C@@H](C(=O)OCC)C1 ZINC000008616202 557796924 /nfs/dbraw/zinc/79/69/24/557796924.db2.gz MGASPNORXQCYDN-DZWZZLIASA-N 0 0 406.607 6.398 40 0 HKABRN C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](O)C(C)C)C[C@@H](O)C[C@@H]1O ZINC000008618064 557797191 /nfs/dbraw/zinc/79/71/91/557797191.db2.gz BJYLYJCXYAMOFT-VURFPRPFSA-N 0 0 416.646 5.561 40 0 HKABRN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC000008623975 291298386 /nfs/dbraw/zinc/29/83/86/291298386.db2.gz LZXMLVVLRRDEGJ-UYAOXDASSA-N 0 0 423.919 5.183 40 0 biogenic,in-vitro HKABRN Cc1nn(-c2ccccc2C)c(C)c1[C@H]1C=C[C@@H](OC(=O)N[C@H](C)c2ccccc2)C1 ZINC000008624063 291297633 /nfs/dbraw/zinc/29/76/33/291297633.db2.gz ZJFJGMYTGHQAMI-YFXJRYMSSA-N 0 0 415.537 5.697 40 0 biogenic,in-vitro HKABRN COc1ccc(-n2nc(C)c([C@H]3C=C[C@@H](OC(=O)Nc4cccc(F)c4)C3)c2C)cc1 ZINC000008624069 291295137 /nfs/dbraw/zinc/29/51/37/291295137.db2.gz AWCHNZKGPIGVOG-HTAPYJJXSA-N 0 0 421.472 5.298 40 0 biogenic,in-vitro HKABRN Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2cccs2)C1 ZINC000008624098 291297614 /nfs/dbraw/zinc/29/76/14/291297614.db2.gz JLLXGSAJXYSECP-UYAOXDASSA-N 0 0 419.594 5.690 40 0 biogenic,in-vitro HKABRN Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2ccco2)C1 ZINC000008624120 291297627 /nfs/dbraw/zinc/29/76/27/291297627.db2.gz MXDUVKGZPJDSIY-UYAOXDASSA-N 0 0 403.526 5.222 40 0 biogenic,in-vitro HKABRN COc1ccc(NC(=O)O[C@@H]2C=C[C@H](c3c(C)nn(-c4ccccc4C)c3C)C2)cc1 ZINC000008624161 291295468 /nfs/dbraw/zinc/29/54/68/291295468.db2.gz BGDPJHSWOWKMQP-SIKLNZKXSA-N 0 0 417.509 5.467 40 0 biogenic,in-vitro HKABRN Clc1ccc2c(c1)/C(=C\c1ccnc3ccccc13)c1cc(Cl)cc(Cl)c1-2 ZINC000008628666 557797567 /nfs/dbraw/zinc/79/75/67/557797567.db2.gz AJRYLVHLRKBMCU-GIJQJNRQSA-N 0 0 408.715 7.764 40 0 HKABRN Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2)C1 ZINC000008636073 291298076 /nfs/dbraw/zinc/29/80/76/291298076.db2.gz FCDQXMONLNNSBI-FYYLOGMGSA-N 0 0 414.553 5.846 40 0 biogenic,in-vitro HKABRN Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NC2CCCCC2)C1 ZINC000008636077 291298020 /nfs/dbraw/zinc/29/80/20/291298020.db2.gz JGKWYIAGDVAHKD-FYYLOGMGSA-N 0 0 420.601 5.657 40 0 biogenic,in-vitro HKABRN Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=S)NCC(C)C)C1 ZINC000008636079 291298039 /nfs/dbraw/zinc/29/80/39/291298039.db2.gz YXBLQOMCOQDCAO-NHCUHLMSSA-N 0 0 410.631 5.145 40 0 biogenic,in-vitro HKABRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2)C1 ZINC000008636120 291297618 /nfs/dbraw/zinc/29/76/18/291297618.db2.gz RXAVLWLKKTYYPR-UYAOXDASSA-N 0 0 420.944 5.685 40 0 biogenic,in-vitro HKABRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2cccs2)C1 ZINC000008636124 291297631 /nfs/dbraw/zinc/29/76/31/291297631.db2.gz UQHWKNCUPWCIAR-IAGOWNOFSA-N 0 0 411.958 5.355 40 0 biogenic,in-vitro HKABRN [NH3+][C@@H](CSC(c1ccccc1)(c1ccccc1)c1cccc2ccccc21)C(=O)[O-] ZINC000008638136 557798028 /nfs/dbraw/zinc/79/80/28/557798028.db2.gz WUEMKWIMYPFRNV-DEOSSOPVSA-N 0 0 413.542 5.277 40 0 HKABRN COc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2/C=C\c2ccc(Cl)cc2)cc1 ZINC000008651621 557798655 /nfs/dbraw/zinc/79/86/55/557798655.db2.gz RFALBESTBSCGMQ-FKYUBBBKSA-N 0 0 414.892 5.848 40 0 HKABRN CCCCCC[C@@H](O)C/C=C\CCCCCCc1c(=O)[nH]c(=S)[nH]c1C(=O)OC ZINC000008655452 557798891 /nfs/dbraw/zinc/79/88/91/557798891.db2.gz VMPUSPLQIAFVDX-QJWNTBNXSA-N 0 0 424.607 5.028 40 0 HKABRN COc1cc(/C=C\C(=O)Oc2ccccc2)ccc1C(=O)O/C=C/c1ccccc1 ZINC000008655998 557798838 /nfs/dbraw/zinc/79/88/38/557798838.db2.gz KWKVWLLCZGKCMZ-OBJKYRPYSA-N 0 0 400.430 5.142 40 0 HKABRN COc1cc(/C=C/C(=O)Oc2ccccc2)ccc1C(=O)O/C=C\c1ccccc1 ZINC000008655999 557798810 /nfs/dbraw/zinc/79/88/10/557798810.db2.gz KWKVWLLCZGKCMZ-NPALGEPZSA-N 0 0 400.430 5.142 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000008663557 132331950 /nfs/dbraw/zinc/33/19/50/132331950.db2.gz HLCFRCCTMSFHNR-UHFFFAOYSA-N 0 0 419.139 5.654 40 0 HKABRN BrC1=C(Br)C2(SCCS2)[C@@H]2C[C@H]1c1ccccc12 ZINC000008665899 557799480 /nfs/dbraw/zinc/79/94/80/557799480.db2.gz RHKMQBSXYARXQX-WDEREUQCSA-N 0 0 404.192 5.449 40 0 HKABRN COc1c(C)c(C/C=C(/C)CC/C=C(\C)CCC=C(C)C)c(OC)c(OC)c1OC ZINC000008665909 557799521 /nfs/dbraw/zinc/79/95/21/557799521.db2.gz XUKZWFXRDDPNAW-KLVUCIMESA-N 0 0 416.602 6.991 40 0 HKABRN COc1c(C)c(C/C=C(\C)CC/C=C(/C)CCC=C(C)C)c(OC)c(OC)c1OC ZINC000008665910 557799456 /nfs/dbraw/zinc/79/94/56/557799456.db2.gz XUKZWFXRDDPNAW-XVXRZGLOSA-N 0 0 416.602 6.991 40 0 HKABRN Cc1ccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 ZINC000008667005 560637209 /nfs/dbraw/zinc/63/72/09/560637209.db2.gz LDJRONFDUNAZBG-SFHVURJKSA-N 0 0 424.488 5.142 40 0 HKABRN Cc1ccc2[nH]c(-c3cccnc3SCC(=O)N3c4ccccc4C[C@@H]3C)nc2c1 ZINC000008670222 560638017 /nfs/dbraw/zinc/63/80/17/560638017.db2.gz GNTORSDNBSXIGO-INIZCTEOSA-N 0 0 414.534 5.003 40 0 aggregator HKABRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(C)c1nc(-c2ccc(C)cc2)cs1 ZINC000008670334 560637986 /nfs/dbraw/zinc/63/79/86/560637986.db2.gz CZUDXGGFKRAIAF-UHFFFAOYSA-N 0 0 422.941 5.543 40 0 HKABRN Cc1ccc2[nH]c(-c3cccnc3SCC(=O)N3c4ccccc4C[C@H]3C)nc2c1 ZINC000008670409 560638015 /nfs/dbraw/zinc/63/80/15/560638015.db2.gz GNTORSDNBSXIGO-MRXNPFEDSA-N 0 0 414.534 5.003 40 0 aggregator HKABRN COc1cc(Br)c(-c2nc3ccccc3s2)c(Br)c1N ZINC000008702047 559064566 /nfs/dbraw/zinc/06/45/66/559064566.db2.gz APQWLXFRKQQFEQ-UHFFFAOYSA-N 0 0 414.122 5.079 40 0 HKABRN Nc1c(Br)cc2oc(Cc3ccc(Cl)cc3)nc2c1Br ZINC000008702067 559064525 /nfs/dbraw/zinc/06/45/25/559064525.db2.gz XKIUMHJWZHAMCC-UHFFFAOYSA-N 0 0 416.500 5.179 40 0 HKABRN Cc1c(Br)c(N)c(Br)cc1NC(=O)c1cc2ccccc2o1 ZINC000008702093 559064532 /nfs/dbraw/zinc/06/45/32/559064532.db2.gz DZYNAZAQICFBQD-UHFFFAOYSA-N 0 0 424.092 5.101 40 0 HKABRN CCc1ccc2oc(-c3c(Br)cc(C)c(N)c3Br)nc2c1 ZINC000008702111 559064517 /nfs/dbraw/zinc/06/45/17/559064517.db2.gz JEZUXHTZZUGVAR-UHFFFAOYSA-N 0 0 410.109 5.473 40 0 HKABRN CCc1ccc2oc(-c3c(Br)cc(Br)c(N)c3C)nc2c1 ZINC000008702116 559064530 /nfs/dbraw/zinc/06/45/30/559064530.db2.gz ACIIEUFJZZCIMY-UHFFFAOYSA-N 0 0 410.109 5.473 40 0 HKABRN Cc1c(N)c(Br)cc(Br)c1-c1nc2cc(C(C)C)ccc2o1 ZINC000008702117 559064563 /nfs/dbraw/zinc/06/45/63/559064563.db2.gz QNNYSIUEADJAGG-UHFFFAOYSA-N 0 0 424.136 6.034 40 0 HKABRN Nc1c(Cl)cc(Br)c(-c2nc3ccccc3s2)c1Br ZINC000008729519 559064606 /nfs/dbraw/zinc/06/46/06/559064606.db2.gz HMPRHSYGBQEXLS-UHFFFAOYSA-N 0 0 418.541 5.724 40 0 HKABRN Nc1c(Br)cc(-c2nc3ccccc3s2)c(Cl)c1Br ZINC000008729521 559064641 /nfs/dbraw/zinc/06/46/41/559064641.db2.gz MYDIZTFWCSFRIQ-UHFFFAOYSA-N 0 0 418.541 5.724 40 0 HKABRN C[C@@H]1C[C@]2(C)Oc3ccccc3[C@H]3OC[C@]1(COC(=O)Nc1ccccc1)[C@@H](C)[C@H]32 ZINC000008740125 557803630 /nfs/dbraw/zinc/80/36/30/557803630.db2.gz UONFBIWUOHBYQS-RUPRUHKUSA-N 0 0 407.510 5.436 40 0 HKABRN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccc2ccccc2c1 ZINC000008742117 535096562 /nfs/dbraw/zinc/09/65/62/535096562.db2.gz YZHCJDZQUDTREV-UHFFFAOYSA-N 0 0 419.596 7.255 40 0 HKABRN O=C(Oc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 ZINC000008767568 526446926 /nfs/dbraw/zinc/44/69/26/526446926.db2.gz ABBJFFCHYPQRCC-UHFFFAOYSA-N 0 0 423.493 6.349 40 0 HKABRN Cc1ccccc1NS(=O)(=O)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000008780089 569390261 /nfs/dbraw/zinc/39/02/61/569390261.db2.gz KZXWCQNSOQTKGF-UHFFFAOYSA-N 0 0 418.312 5.351 40 0 HKABRN N=C1S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1nccs1 ZINC000008780836 569390293 /nfs/dbraw/zinc/39/02/93/569390293.db2.gz DNGSNVWSCDBDOC-PXWOKZSGSA-N 0 0 416.531 5.202 40 0 HKABRN CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc2c1 ZINC000008780868 557808474 /nfs/dbraw/zinc/80/84/74/557808474.db2.gz VKCUWKVJOSZAOS-UHFFFAOYSA-N 0 0 421.294 6.072 40 0 HKABRN Oc1cc(OCc2ccc(Cl)cc2)ccc1-c1ncncc1-c1ccc(Cl)cc1 ZINC000008781005 569390386 /nfs/dbraw/zinc/39/03/86/569390386.db2.gz MRRCBUVAQXLDLN-UHFFFAOYSA-N 0 0 423.299 6.402 40 0 HKABRN Cc1nn(-c2cc(C)c(C)cc2Br)c(C)c1-c1ccc(Cl)c(Cl)c1 ZINC000008781050 569390359 /nfs/dbraw/zinc/39/03/59/569390359.db2.gz VOMMMXAZWJJEBU-UHFFFAOYSA-N 0 0 424.169 6.842 40 0 HKABRN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc2ccccc2c1 ZINC000008781227 557808492 /nfs/dbraw/zinc/80/84/92/557808492.db2.gz ZUFGBRVEJOBNSS-UHFFFAOYSA-N 0 0 421.525 6.063 40 0 HKABRN Cc1sc2nc(-c3ccc(-c4ccc(Br)cc4)o3)[nH]c(=O)c2c1C ZINC000008782795 560756673 /nfs/dbraw/zinc/75/66/73/560756673.db2.gz LKBOSQFODIVBAB-UHFFFAOYSA-N 0 0 401.285 5.291 40 0 HKABRN COCCOC(=O)c1c(C)n(-c2cccc(Cl)c2)c2c1cc(O)c1ccccc21 ZINC000008782971 560210866 /nfs/dbraw/zinc/21/08/66/560210866.db2.gz UGQAKFHZWJRAJC-UHFFFAOYSA-N 0 0 409.869 5.254 40 0 biogenic,in-vitro HKABRN C[C@@H]1CCCCN1C(=O)c1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1 ZINC000008782972 569390366 /nfs/dbraw/zinc/39/03/66/569390366.db2.gz DHOIDVYBPKFPJZ-LJQANCHMSA-N 0 0 400.522 5.539 40 0 HKABRN C[C@H]1CCCCN1C(=O)c1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1 ZINC000008782973 569390392 /nfs/dbraw/zinc/39/03/92/569390392.db2.gz DHOIDVYBPKFPJZ-IBGZPJMESA-N 0 0 400.522 5.539 40 0 HKABRN Nc1c2ccc(-c3ccncc3)nc2sc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000008783543 569390340 /nfs/dbraw/zinc/39/03/40/569390340.db2.gz VGUYNHBAZJJHNX-UHFFFAOYSA-N 0 0 415.305 5.500 40 0 HKABRN Cn1c2ccccc2c2c1cccc2[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 ZINC000008783589 569390346 /nfs/dbraw/zinc/39/03/46/569390346.db2.gz AAFHTWNYNXPRDW-RUZDIDTESA-N 0 0 407.473 5.691 40 0 HKABRN Cn1c2ccccc2c2c1cccc2[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 ZINC000008783590 569390344 /nfs/dbraw/zinc/39/03/44/569390344.db2.gz AAFHTWNYNXPRDW-VWLOTQADSA-N 0 0 407.473 5.691 40 0 HKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000008790902 557808912 /nfs/dbraw/zinc/80/89/12/557808912.db2.gz ZVZYMUYFWSNHNT-UHFFFAOYSA-N 0 0 414.701 5.183 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1 ZINC000008809366 569390382 /nfs/dbraw/zinc/39/03/82/569390382.db2.gz CPULHVCDZYHXQO-UHFFFAOYSA-N 0 0 424.294 5.006 40 0 HKABRN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008816050 560756690 /nfs/dbraw/zinc/75/66/90/560756690.db2.gz CETRQTWXVNSAJA-FBCSTPJJSA-N 0 0 424.585 5.492 40 0 HKABRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008816051 560756666 /nfs/dbraw/zinc/75/66/66/560756666.db2.gz CETRQTWXVNSAJA-OMQIJLIKSA-N 0 0 424.585 5.492 40 0 HKABRN COc1ccc(OC)c2c1[C@H]1CCCC[C@@H]1O[C@@H]2c1cccc(NC(=O)C2CC2)c1 ZINC000008816560 560639587 /nfs/dbraw/zinc/63/95/87/560639587.db2.gz CUDMNXSXYJGJGV-AXHZCLLHSA-N 0 0 407.510 5.198 40 0 HKABRN COc1ccc(OC)c2c1[C@@H](c1cccc(NC(=O)C3CC3)c1)O[C@@H]1CCCC[C@@H]21 ZINC000008816561 560639586 /nfs/dbraw/zinc/63/95/86/560639586.db2.gz CUDMNXSXYJGJGV-KHCICDEESA-N 0 0 407.510 5.198 40 0 HKABRN COc1ccc(OC)c2c1[C@H]1CCCC[C@H]1O[C@@H]2c1cccc(NC(=O)C2CC2)c1 ZINC000008816562 560639579 /nfs/dbraw/zinc/63/95/79/560639579.db2.gz CUDMNXSXYJGJGV-XLNZFTOWSA-N 0 0 407.510 5.198 40 0 HKABRN Cc1ccc(C)c(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@@H]3c2ccccc2)c1 ZINC000008826611 569390437 /nfs/dbraw/zinc/39/04/37/569390437.db2.gz NEZLLAPYDIROPG-YUEVXQQWSA-N 0 0 407.513 5.546 40 0 HKABRN Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)CC[C@@H]3c2ccccc2)c1C ZINC000008826762 569390523 /nfs/dbraw/zinc/39/05/23/569390523.db2.gz UUOHHXXXBMIDST-YUEVXQQWSA-N 0 0 409.529 5.770 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000008833691 560756758 /nfs/dbraw/zinc/75/67/58/560756758.db2.gz OPGCDBFCJHJOSV-UHFFFAOYSA-N 0 0 406.507 5.727 40 0 HKABRN C[C@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)C1C2CC3CC(C2)CC1C3 ZINC000008857552 571128235 /nfs/dbraw/zinc/12/82/35/571128235.db2.gz NEMGAFSQKUFJSM-YIZLWERLSA-N 0 0 422.805 5.386 40 0 HKABRN C[C@@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)C1C2CC3CC(C2)CC1C3 ZINC000008857553 571128334 /nfs/dbraw/zinc/12/83/34/571128334.db2.gz NEMGAFSQKUFJSM-XXUCPIKUSA-N 0 0 422.805 5.386 40 0 HKABRN O=Cc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 ZINC000008870216 557812690 /nfs/dbraw/zinc/81/26/90/557812690.db2.gz YHHSBPORHWZWOF-CHHVJCJISA-N 0 0 411.788 5.412 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 ZINC000008902655 560756879 /nfs/dbraw/zinc/75/68/79/560756879.db2.gz NVSSYFMKWWSPHO-UHFFFAOYSA-N 0 0 419.506 5.691 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 ZINC000008902703 560756893 /nfs/dbraw/zinc/75/68/93/560756893.db2.gz MZTWJXLXGYBMNP-UHFFFAOYSA-N 0 0 421.478 5.183 40 0 HKABRN CC(C)Oc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 ZINC000008902705 560756908 /nfs/dbraw/zinc/75/69/08/560756908.db2.gz ZCGIUTVLMYDFTL-UHFFFAOYSA-N 0 0 421.478 5.181 40 0 HKABRN CC(C)Oc1cccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)c1 ZINC000008902710 560756890 /nfs/dbraw/zinc/75/68/90/560756890.db2.gz BCRPQDBKDYPYBQ-UHFFFAOYSA-N 0 0 421.478 5.181 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1Cl ZINC000008902896 560756887 /nfs/dbraw/zinc/75/68/87/560756887.db2.gz RFZUPVWFZMUXBP-UHFFFAOYSA-N 0 0 404.897 6.832 40 0 HKABRN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1Cl ZINC000008902913 560756886 /nfs/dbraw/zinc/75/68/86/560756886.db2.gz RWKHARLGCXDTRI-UHFFFAOYSA-N 0 0 420.896 6.533 40 0 HKABRN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c(OC)c1 ZINC000008902916 560756883 /nfs/dbraw/zinc/75/68/83/560756883.db2.gz CEBBTXHFEYBHAO-UHFFFAOYSA-N 0 0 416.477 5.888 40 0 HKABRN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1OC ZINC000008902919 560756888 /nfs/dbraw/zinc/75/68/88/560756888.db2.gz USZDMMJAHTZUDS-UHFFFAOYSA-N 0 0 416.477 5.888 40 0 HKABRN COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 ZINC000008902920 560756877 /nfs/dbraw/zinc/75/68/77/560756877.db2.gz WZJHMXZRWASFNO-UHFFFAOYSA-N 0 0 416.477 5.888 40 0 HKABRN CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 ZINC000008902924 560756901 /nfs/dbraw/zinc/75/69/01/560756901.db2.gz LTGQYNSNLCBMHQ-UHFFFAOYSA-N 0 0 400.478 6.269 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000008902929 560756993 /nfs/dbraw/zinc/75/69/93/560756993.db2.gz VUQCKZAJDUTXBZ-UHFFFAOYSA-N 0 0 400.478 6.269 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000008902933 560757035 /nfs/dbraw/zinc/75/70/35/560757035.db2.gz PEEBHUKFFPCFNF-UHFFFAOYSA-N 0 0 414.505 6.659 40 0 HKABRN COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 ZINC000008902938 560756971 /nfs/dbraw/zinc/75/69/71/560756971.db2.gz BTLMCYHQQOJWKD-UHFFFAOYSA-N 0 0 400.478 6.188 40 0 HKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)Cc4ccc(Cl)cc4)ccc3o2)cc1 ZINC000008902972 560757015 /nfs/dbraw/zinc/75/70/15/560757015.db2.gz UOHROAMOEDHQKF-UHFFFAOYSA-N 0 0 404.897 6.453 40 0 HKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3o2)cc1 ZINC000008902974 560757026 /nfs/dbraw/zinc/75/70/26/560757026.db2.gz MULACWBFJZOVBX-UHFFFAOYSA-N 0 0 414.461 5.642 40 0 HKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5)o4)ccc3o2)cc1 ZINC000008903012 560757011 /nfs/dbraw/zinc/75/70/11/560757011.db2.gz RUGXTMZNZMDNHW-UHFFFAOYSA-N 0 0 422.484 7.131 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000008903025 560756995 /nfs/dbraw/zinc/75/69/95/560756995.db2.gz GRPVLZRGPGRCLB-UHFFFAOYSA-N 0 0 400.478 5.944 40 0 HKABRN CCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000008903030 560756989 /nfs/dbraw/zinc/75/69/89/560756989.db2.gz FNKKMCVJCDEKRA-UHFFFAOYSA-N 0 0 414.505 6.198 40 0 HKABRN Cc1cc(C)cc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 ZINC000008903037 560757032 /nfs/dbraw/zinc/75/70/32/560757032.db2.gz GNHCRHIQWSDXHS-UHFFFAOYSA-N 0 0 414.505 6.253 40 0 HKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3o2)cc1 ZINC000008903039 560756980 /nfs/dbraw/zinc/75/69/80/560756980.db2.gz HATPURCSYMEHRX-UHFFFAOYSA-N 0 0 420.896 6.289 40 0 HKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)COc4ccccc4F)ccc3o2)cc1 ZINC000008903046 560756987 /nfs/dbraw/zinc/75/69/87/560756987.db2.gz CYNDOSVAUBSAAM-UHFFFAOYSA-N 0 0 404.441 5.775 40 0 HKABRN CC(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4)ccc3o2)cc1 ZINC000008903051 560757017 /nfs/dbraw/zinc/75/70/17/560757017.db2.gz VDVLXPZTMQGXPR-UHFFFAOYSA-N 0 0 415.518 5.745 40 0 HKABRN CC(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)cc1 ZINC000008903099 560756974 /nfs/dbraw/zinc/75/69/74/560756974.db2.gz JYJCZDRJPYWEEV-UHFFFAOYSA-N 0 0 405.479 5.338 40 0 HKABRN CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000008903120 560757002 /nfs/dbraw/zinc/75/70/02/560757002.db2.gz WUXXRVAVJSQXHV-UHFFFAOYSA-N 0 0 410.539 5.803 40 0 HKABRN CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(C)c(Cl)c3)sc2c1 ZINC000008903122 560757009 /nfs/dbraw/zinc/75/70/09/560757009.db2.gz RYWHCBSDRRULLF-UHFFFAOYSA-N 0 0 402.903 5.467 40 0 HKABRN CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc(Cl)c3Cl)sc2c1 ZINC000008903140 560757039 /nfs/dbraw/zinc/75/70/39/560757039.db2.gz QFRQPVFBNVJUTD-UHFFFAOYSA-N 0 0 423.321 5.812 40 0 HKABRN CCCCOC(=O)c1ccc2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2c1 ZINC000008903142 560757007 /nfs/dbraw/zinc/75/70/07/560757007.db2.gz HKIVDEBIXGTTFI-UHFFFAOYSA-N 0 0 423.321 5.812 40 0 HKABRN CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(OC)c(Cl)c3)sc2c1 ZINC000008903149 560757004 /nfs/dbraw/zinc/75/70/04/560757004.db2.gz LIHNWBYCIURQTE-UHFFFAOYSA-N 0 0 418.902 5.168 40 0 HKABRN CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(OCCC)cc3)sc2c1 ZINC000008903164 560757037 /nfs/dbraw/zinc/75/70/37/560757037.db2.gz YOAVMEOPZXDSPT-UHFFFAOYSA-N 0 0 412.511 5.294 40 0 HKABRN CCCCOC(=O)c1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1 ZINC000008903206 560757013 /nfs/dbraw/zinc/75/70/13/560757013.db2.gz YDTHWSQJTWEDOV-UHFFFAOYSA-N 0 0 402.903 5.088 40 0 HKABRN CCCCOC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(Cl)cc3)sc2c1 ZINC000008903226 560757021 /nfs/dbraw/zinc/75/70/21/560757021.db2.gz XMVWQMKMWGYXFP-IZZDOVSWSA-N 0 0 414.914 5.559 40 0 HKABRN CCCCOC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(C(C)C)cc3)sc2c1 ZINC000008903234 560756978 /nfs/dbraw/zinc/75/69/78/560756978.db2.gz ADAAYEGJYYZJSP-MDWZMJQESA-N 0 0 422.550 6.029 40 0 HKABRN CCOc1cc(-c2nc(Nc3ccc(Cl)cc3)n[nH]2)cc(OCC)c1OCC ZINC000008903550 560756984 /nfs/dbraw/zinc/75/69/84/560756984.db2.gz SFCQJTQLNAIPGA-UHFFFAOYSA-N 0 0 402.882 5.065 40 0 HKABRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000008903602 560757114 /nfs/dbraw/zinc/75/71/14/560757114.db2.gz RVDJBJXALINMGF-UHFFFAOYSA-N 0 0 409.294 5.421 40 0 HKABRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2c1 ZINC000008903606 560757113 /nfs/dbraw/zinc/75/71/13/560757113.db2.gz XLZKFXSGHVSSDN-UHFFFAOYSA-N 0 0 409.294 5.421 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1 ZINC000008903626 560757089 /nfs/dbraw/zinc/75/70/89/560757089.db2.gz KUIAZECXDNYPKZ-UHFFFAOYSA-N 0 0 412.511 5.293 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 ZINC000008903631 560757111 /nfs/dbraw/zinc/75/71/11/560757111.db2.gz FBHAJMLLHOCRDI-UHFFFAOYSA-N 0 0 412.511 5.293 40 0 HKABRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3cccc4c(Cl)cccc34)sc2c1 ZINC000008903674 560757108 /nfs/dbraw/zinc/75/71/08/560757108.db2.gz NOSCZOUFBJFPII-UHFFFAOYSA-N 0 0 424.909 5.920 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 ZINC000008903678 560757103 /nfs/dbraw/zinc/75/71/03/560757103.db2.gz FVUKZSWPUKGBLB-UHFFFAOYSA-N 0 0 420.490 5.276 40 0 HKABRN CC(C)OC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(C(C)C)cc3)sc2c1 ZINC000008903691 560757110 /nfs/dbraw/zinc/75/71/10/560757110.db2.gz YHTSDRWCLNHLJQ-KPKJPENVSA-N 0 0 408.523 5.637 40 0 HKABRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)o3)sc2c1 ZINC000008903712 560757090 /nfs/dbraw/zinc/75/70/90/560757090.db2.gz DOKRAWRHWWFLBK-UHFFFAOYSA-N 0 0 406.463 5.374 40 0 HKABRN CC(C)COc1cccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1 ZINC000008903715 560757088 /nfs/dbraw/zinc/75/70/88/560757088.db2.gz GGHXSLPVGMDLMY-UHFFFAOYSA-N 0 0 412.511 5.149 40 0 HKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1 ZINC000008903716 560757097 /nfs/dbraw/zinc/75/70/97/560757097.db2.gz VPAFBEXYXHQOMQ-CQSZACIVSA-N 0 0 412.511 5.291 40 0 HKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1 ZINC000008903718 560757095 /nfs/dbraw/zinc/75/70/95/560757095.db2.gz VPAFBEXYXHQOMQ-AWEZNQCLSA-N 0 0 412.511 5.291 40 0 HKABRN CC(C)COc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 ZINC000008903721 560757104 /nfs/dbraw/zinc/75/71/04/560757104.db2.gz QJNVDFLVSHTJNI-UHFFFAOYSA-N 0 0 412.511 5.149 40 0 HKABRN CC[C@@H](C)Oc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 ZINC000008903723 560757092 /nfs/dbraw/zinc/75/70/92/560757092.db2.gz VQWPYDZOIWVKIH-CQSZACIVSA-N 0 0 412.511 5.291 40 0 HKABRN CC[C@H](C)Oc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 ZINC000008903725 560757106 /nfs/dbraw/zinc/75/71/06/560757106.db2.gz VQWPYDZOIWVKIH-AWEZNQCLSA-N 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O=C(CSc1ccc(Cl)cc1)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000008904067 560757187 /nfs/dbraw/zinc/75/71/87/560757187.db2.gz QLPRIRVIAWFRRD-UHFFFAOYSA-N 0 0 403.931 5.560 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000008904080 560757200 /nfs/dbraw/zinc/75/72/00/560757200.db2.gz DCUMPHIJPYJWAJ-UHFFFAOYSA-N 0 0 403.478 5.590 40 0 HKABRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000008904112 560757228 /nfs/dbraw/zinc/75/72/28/560757228.db2.gz YDZPOQMQHPTPNN-UHFFFAOYSA-N 0 0 423.896 6.342 40 0 HKABRN Cc1cc(C)c(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)c(Cl)c1 ZINC000008904140 560757192 /nfs/dbraw/zinc/75/71/92/560757192.db2.gz VGKDAGRLMGRGPL-UHFFFAOYSA-N 0 0 415.917 5.464 40 0 HKABRN O=C(NC(=S)Nc1ccc(C(=O)OC2CCCCC2)cc1)c1cc2ccccc2o1 ZINC000008904206 560757194 /nfs/dbraw/zinc/75/71/94/560757194.db2.gz YKKSBHXGHQUSGP-UHFFFAOYSA-N 0 0 422.506 5.049 40 0 HKABRN CC(C)OC(=O)c1ccc2nc(NC(=O)CC34CC5CC(CC(C5)C3)C4)sc2c1 ZINC000008904262 560757174 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O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc21)Nc1ccccc1Cl ZINC000008926549 560640444 /nfs/dbraw/zinc/64/04/44/560640444.db2.gz KKLUGGGMABTDIC-UHFFFAOYSA-N 0 0 423.900 5.820 40 0 HKABRN COc1cccc2cc(-c3nc(-c4ccc(Cl)c(Cl)c4)c(C)s3)c(=O)oc21 ZINC000008926580 560640457 /nfs/dbraw/zinc/64/04/57/560640457.db2.gz XCSZFZFSKOXJSK-UHFFFAOYSA-N 0 0 418.301 6.207 40 0 HKABRN O=C1/C(=C\c2cccc(Oc3ccccc3)c2)N=C(c2ccccc2)N1Cc1ccco1 ZINC000008955753 569391004 /nfs/dbraw/zinc/39/10/04/569391004.db2.gz QJGADDVZKPCBRF-XIEYBQDHSA-N 0 0 420.468 5.902 40 0 HKABRN Cc1ccc(C)n1-c1nc2ccc(C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)cc2s1 ZINC000008992059 569391165 /nfs/dbraw/zinc/39/11/65/569391165.db2.gz VKQUIFGZSYDHHM-UUOWRZLLSA-N 0 0 407.583 5.745 40 0 HKABRN Cc1ccc(C)n1-c1nc2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc2s1 ZINC000008992060 569391149 /nfs/dbraw/zinc/39/11/49/569391149.db2.gz VKQUIFGZSYDHHM-HOYKHHGWSA-N 0 0 407.583 5.745 40 0 HKABRN Clc1ccc(CSc2nnc(-c3ccccc3Br)o2)c(Cl)c1 ZINC000009010500 557015833 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QVEOCIXKWXTXLP-UHFFFAOYSA-N 0 0 420.519 5.080 40 0 HKABRN Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)s2)c1 ZINC000009062190 569342083 /nfs/dbraw/zinc/34/20/83/569342083.db2.gz UUKGWWXOWHJSAV-UHFFFAOYSA-N 0 0 414.490 5.018 40 0 HKABRN O=C(Nc1nnc(-c2ccccc2)s1)c1sc2cc(Cl)ccc2c1Cl ZINC000009062212 569342098 /nfs/dbraw/zinc/34/20/98/569342098.db2.gz PMANWXOHGLFXFG-UHFFFAOYSA-N 0 0 406.319 5.979 40 0 HKABRN O=C(NCCCc1ccccc1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000009062749 569342290 /nfs/dbraw/zinc/34/22/90/569342290.db2.gz QUGMERHDPVAHQI-UHFFFAOYSA-N 0 0 423.359 5.094 40 0 HKABRN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000009063661 569342504 /nfs/dbraw/zinc/34/25/04/569342504.db2.gz JQQBFNRLGIXWHO-UHFFFAOYSA-N 0 0 414.830 5.349 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000009063666 569342515 /nfs/dbraw/zinc/34/25/15/569342515.db2.gz VAPBVQUZZDMNIN-UHFFFAOYSA-N 0 0 415.723 5.637 40 0 HKABRN CCc1cccc(CC)c1NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000009063700 569342545 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CCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc(Cl)cc1 ZINC000009139495 569342508 /nfs/dbraw/zinc/34/25/08/569342508.db2.gz XVNSXEIZNAOMOC-UHFFFAOYSA-N 0 0 414.962 5.356 40 0 HKABRN CCCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000009139507 569342539 /nfs/dbraw/zinc/34/25/39/569342539.db2.gz FHBKRHITDPCYGX-UHFFFAOYSA-N 0 0 421.353 5.393 40 0 HKABRN CCCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 ZINC000009139520 557824922 /nfs/dbraw/zinc/82/49/22/557824922.db2.gz ILOODABDVVMEEP-UHFFFAOYSA-N 0 0 400.935 5.048 40 0 HKABRN CCCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccc(Cl)cc1 ZINC000009139577 569342524 /nfs/dbraw/zinc/34/25/24/569342524.db2.gz FBGZCGFDUULZAF-UHFFFAOYSA-N 0 0 414.962 5.302 40 0 HKABRN CCCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC000009139595 557824969 /nfs/dbraw/zinc/82/49/69/557824969.db2.gz QCFTWHHLHIIBHZ-UHFFFAOYSA-N 0 0 421.353 5.393 40 0 HKABRN CCCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 ZINC000009139627 569342536 /nfs/dbraw/zinc/34/25/36/569342536.db2.gz LAAIHIVXPNTFLE-UHFFFAOYSA-N 0 0 421.353 5.393 40 0 HKABRN CC(C)(C)c1cc(C(=S)N2CCC(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000009187980 557825698 /nfs/dbraw/zinc/82/56/98/557825698.db2.gz KWHJORFDLQEIPU-UHFFFAOYSA-N 0 0 423.666 6.617 40 0 HKABRN S=C(c1ccccc1OCc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009188011 132336935 /nfs/dbraw/zinc/33/69/35/132336935.db2.gz IJYVSHMUNDBDEX-UHFFFAOYSA-N 0 0 422.981 5.417 40 0 HKABRN S=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009188016 132336926 /nfs/dbraw/zinc/33/69/26/132336926.db2.gz MJLXJKOLQGYZSL-UHFFFAOYSA-N 0 0 422.981 5.417 40 0 HKABRN COc1ccc(CCNC(=S)c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000009188128 557825672 /nfs/dbraw/zinc/82/56/72/557825672.db2.gz MJINRLMREWINQH-UHFFFAOYSA-N 0 0 421.562 5.099 40 0 HKABRN COc1cc(C(=S)NCc2ccccc2Cl)ccc1OCc1ccc(C)cc1 ZINC000009188179 557825731 /nfs/dbraw/zinc/82/57/31/557825731.db2.gz KHQROLHFQKQOJM-UHFFFAOYSA-N 0 0 411.954 5.701 40 0 HKABRN S=C(c1cccc(OCc2ccccc2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000009188327 557825857 /nfs/dbraw/zinc/82/58/57/557825857.db2.gz CPTCQZMTFVKLBB-UHFFFAOYSA-N 0 0 401.575 5.896 40 0 HKABRN Cc1cccc(COc2cccc(C(=S)N3CCC(Cc4ccccc4)CC3)c2)c1 ZINC000009188328 557825839 /nfs/dbraw/zinc/82/58/39/557825839.db2.gz LRUGKXPLAGJQBN-UHFFFAOYSA-N 0 0 415.602 6.204 40 0 HKABRN S=C(c1ccccc1OCc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000009188329 557825896 /nfs/dbraw/zinc/82/58/96/557825896.db2.gz UBJSQJXCZNNIAC-UHFFFAOYSA-N 0 0 401.575 5.896 40 0 HKABRN Cc1ccc(COc2ccccc2C(=S)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000009188330 557825795 /nfs/dbraw/zinc/82/57/95/557825795.db2.gz ALWKEZLEIDRLBD-UHFFFAOYSA-N 0 0 415.602 6.204 40 0 HKABRN O=C(CSc1n[nH]c(-c2ccccc2Cl)n1)Nc1cccc(Cl)c1Cl ZINC000009198075 557828213 /nfs/dbraw/zinc/82/82/13/557828213.db2.gz VEFKTRPNSLUWMQ-UHFFFAOYSA-N 0 0 413.717 5.163 40 0 HKABRN O=C(CSc1n[nH]c(-c2ccccc2Cl)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000009198082 557828202 /nfs/dbraw/zinc/82/82/02/557828202.db2.gz QCAXAWANFNMDKN-UHFFFAOYSA-N 0 0 413.717 5.163 40 0 HKABRN O=C(CSc1n[nH]c(-c2ccccc2Cl)n1)Nc1ccc(Cl)cc1Cl ZINC000009198090 557828251 /nfs/dbraw/zinc/82/82/51/557828251.db2.gz BPMRGKBUFPTUNM-UHFFFAOYSA-N 0 0 413.717 5.163 40 0 HKABRN O=C(CSc1n[nH]c(-c2ccccc2Cl)n1)Nc1cc(Cl)ccc1Cl ZINC000009198099 557828242 /nfs/dbraw/zinc/82/82/42/557828242.db2.gz UGGZTPOFKZRICN-UHFFFAOYSA-N 0 0 413.717 5.163 40 0 HKABRN Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1 ZINC000009198973 557828585 /nfs/dbraw/zinc/82/85/85/557828585.db2.gz BNTOYHVYNDIYBZ-UHFFFAOYSA-N 0 0 408.310 5.006 40 0 HKABRN Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000009198979 557828621 /nfs/dbraw/zinc/82/86/21/557828621.db2.gz FGCLRDQCLDFCRK-UHFFFAOYSA-N 0 0 408.310 5.006 40 0 HKABRN Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 ZINC000009198986 557828612 /nfs/dbraw/zinc/82/86/12/557828612.db2.gz RHLOUUMCRUGRMD-UHFFFAOYSA-N 0 0 408.310 5.006 40 0 HKABRN Cc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 ZINC000009198992 557828624 /nfs/dbraw/zinc/82/86/24/557828624.db2.gz CXXXSDGOUFWJOJ-UHFFFAOYSA-N 0 0 408.310 5.006 40 0 HKABRN CC(C)(C)c1ccc(-c2nc(SCc3ccc(Br)cc3)n[nH]2)cc1 ZINC000009199357 557828629 /nfs/dbraw/zinc/82/86/29/557828629.db2.gz CGLLWMIJZVDQKA-UHFFFAOYSA-N 0 0 402.361 5.824 40 0 HKABRN CC(C)(C)c1ccc(-c2nc(SCC(=O)Nc3cccc4ccccc43)n[nH]2)cc1 ZINC000009199415 557828867 /nfs/dbraw/zinc/82/88/67/557828867.db2.gz OIKLOJCEFVPGMZ-UHFFFAOYSA-N 0 0 416.550 5.653 40 0 HKABRN CC(C)(C)c1ccc(-c2nc(SCC(=O)Nc3ccccc3Cl)n[nH]2)cc1 ZINC000009199429 557828923 /nfs/dbraw/zinc/82/89/23/557828923.db2.gz BFLUFYFIMJMILX-UHFFFAOYSA-N 0 0 400.935 5.153 40 0 HKABRN CC(C)(C)c1ccc(-c2nc(SCC(=O)Nc3cccc(Cl)c3)n[nH]2)cc1 ZINC000009199434 557828885 /nfs/dbraw/zinc/82/88/85/557828885.db2.gz ACTMNGGNVZPUOU-UHFFFAOYSA-N 0 0 400.935 5.153 40 0 HKABRN CC(C)(C)c1ccc(-c2nc(SCC(=O)Nc3ccc(Cl)cc3)n[nH]2)cc1 ZINC000009199441 557828916 /nfs/dbraw/zinc/82/89/16/557828916.db2.gz SYJIZSMAEBXIJC-UHFFFAOYSA-N 0 0 400.935 5.153 40 0 HKABRN Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)cc1Cl ZINC000009199576 557828794 /nfs/dbraw/zinc/82/87/94/557828794.db2.gz HRALIBSQDDLTQL-UHFFFAOYSA-N 0 0 414.962 5.462 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000009199588 557828892 /nfs/dbraw/zinc/82/88/92/557828892.db2.gz JPZVMARXIAXSEW-UHFFFAOYSA-N 0 0 414.962 5.462 40 0 HKABRN c1ccc(C(c2nnc(SCc3cccc4ccccc43)o2)c2ccccc2)cc1 ZINC000009199860 557829030 /nfs/dbraw/zinc/82/90/30/557829030.db2.gz QPOLQCWGRKTOBU-UHFFFAOYSA-N 0 0 408.526 6.695 40 0 HKABRN Cc1ccccc1NC(=O)CSc1nnc(C(c2ccccc2)c2ccccc2)o1 ZINC000009199878 557828994 /nfs/dbraw/zinc/82/89/94/557828994.db2.gz XDRLFAHMVHKROC-UHFFFAOYSA-N 0 0 415.518 5.289 40 0 HKABRN Cc1cccc(NC(=O)CSc2nnc(C(c3ccccc3)c3ccccc3)o2)c1 ZINC000009199887 557829039 /nfs/dbraw/zinc/82/90/39/557829039.db2.gz QOGPKSVHYJRGSV-UHFFFAOYSA-N 0 0 415.518 5.289 40 0 HKABRN Cc1ccc(NC(=O)CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1 ZINC000009199894 557828974 /nfs/dbraw/zinc/82/89/74/557828974.db2.gz NLBQULKGBYGPPS-UHFFFAOYSA-N 0 0 415.518 5.289 40 0 HKABRN O=C(CSc1nnc(C(c2ccccc2)c2ccccc2)o1)Nc1ccc(F)cc1 ZINC000009199909 557828972 /nfs/dbraw/zinc/82/89/72/557828972.db2.gz JHBNMKOODNWKNY-UHFFFAOYSA-N 0 0 419.481 5.120 40 0 HKABRN Clc1ccc2[nH]c(SCc3ccc(I)cc3)nc2c1 ZINC000009204975 557829345 /nfs/dbraw/zinc/82/93/45/557829345.db2.gz MXXWZLVZHWALEF-UHFFFAOYSA-N 0 0 400.672 5.113 40 0 HKABRN O=C(CSc1nc2ccccc2s1)Nc1c(F)cc(F)cc1Br ZINC000009226383 557830403 /nfs/dbraw/zinc/83/04/03/557830403.db2.gz WDIWKCVIBWHUGS-UHFFFAOYSA-N 0 0 415.284 5.068 40 0 HKABRN O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1c(F)cccc1Cl ZINC000009232716 557830988 /nfs/dbraw/zinc/83/09/88/557830988.db2.gz FTDORVMZNLFNOO-VIZOYTHASA-N 0 0 416.688 6.022 40 0 HKABRN COc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc(OC)c1 ZINC000009233114 557830973 /nfs/dbraw/zinc/83/09/73/557830973.db2.gz ZZXYRCQRPLOQND-CAOOACKPSA-N 0 0 424.305 5.247 40 0 HKABRN CC(=O)Nc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000009233341 557830985 /nfs/dbraw/zinc/83/09/85/557830985.db2.gz UYVILLSOAXKYGB-RQZCQDPDSA-N 0 0 421.305 5.188 40 0 HKABRN CCCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000009233540 557830981 /nfs/dbraw/zinc/83/09/81/557830981.db2.gz OLWPOBZDVXVHOQ-VCHYOVAHSA-N 0 0 422.333 6.019 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000009235076 557831254 /nfs/dbraw/zinc/83/12/54/557831254.db2.gz HLWSERMIFQCCSJ-SNVBAGLBSA-N 0 0 417.214 5.004 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000009235080 557831259 /nfs/dbraw/zinc/83/12/59/557831259.db2.gz HLWSERMIFQCCSJ-JTQLQIEISA-N 0 0 417.214 5.004 40 0 HKABRN Fc1cnc(Nc2ccccc2N2CCCC2)nc1Nc1ccccc1N1CCCC1 ZINC000009235619 557831208 /nfs/dbraw/zinc/83/12/08/557831208.db2.gz NTIISKTZXPBUQI-UHFFFAOYSA-N 0 0 418.520 5.303 40 0 HKABRN CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000009236557 560758090 /nfs/dbraw/zinc/75/80/90/560758090.db2.gz KSXLZONAFJZZAG-GZTJUZNOSA-N 0 0 418.312 5.084 40 0 HKABRN CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009239280 132337424 /nfs/dbraw/zinc/33/74/24/132337424.db2.gz KWVIYOMPGUVJHL-HSZRJFAPSA-N 0 0 402.563 6.477 40 0 HKABRN CSc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009239283 132337431 /nfs/dbraw/zinc/33/74/31/132337431.db2.gz KWVIYOMPGUVJHL-QHCPKHFHSA-N 0 0 402.563 6.477 40 0 HKABRN O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1Cl ZINC000009275134 557834315 /nfs/dbraw/zinc/83/43/15/557834315.db2.gz RMHYKELUXIIQSO-UHFFFAOYSA-N 0 0 413.058 5.058 40 0 HKABRN COCc1nn2c([nH]nc3c(=O)cc(-c4ccccc4)cc2-3)c1-c1cccc(Cl)c1 ZINC000009287582 560757711 /nfs/dbraw/zinc/75/77/11/560757711.db2.gz NUGITQDQMDVANS-UHFFFAOYSA-N 0 0 416.868 5.117 40 0 HKABRN COCc1nn2c(ncc3c2C[C@H](c2ccc(Cl)cc2)CC3=O)c1-c1ccccc1 ZINC000009290239 560757808 /nfs/dbraw/zinc/75/78/08/560757808.db2.gz OSWBURJCOKWKAW-KRWDZBQOSA-N 0 0 417.896 5.109 40 0 HKABRN COCc1nn2c(ncc3c2C[C@@H](c2ccc(Cl)cc2)CC3=O)c1-c1ccccc1 ZINC000009290241 560757850 /nfs/dbraw/zinc/75/78/50/560757850.db2.gz OSWBURJCOKWKAW-QGZVFWFLSA-N 0 0 417.896 5.109 40 0 HKABRN CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OCC ZINC000009296024 557835006 /nfs/dbraw/zinc/83/50/06/557835006.db2.gz UDLFSJGWXPVFER-PDGQHHTCSA-N 0 0 403.887 5.378 40 0 HKABRN Cc1sc2nc(SCc3ccccc3F)n(-c3ccc(C)c(C)c3)c(=O)c2c1C ZINC000009296187 557835090 /nfs/dbraw/zinc/83/50/90/557835090.db2.gz NUEHTJYKTHWPAO-UHFFFAOYSA-N 0 0 424.566 6.112 40 0 HKABRN O=C1Nc2ccccc2/C1=C\c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000009296324 557835099 /nfs/dbraw/zinc/83/50/99/557835099.db2.gz BNYFMRMGMKHGDV-XDHOZWIPSA-N 0 0 424.269 5.660 40 0 HKABRN O=C1Nc2ccccc2/C1=C\c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000009296327 557835214 /nfs/dbraw/zinc/83/52/14/557835214.db2.gz SBCRLEMCIOQBPN-XDHOZWIPSA-N 0 0 424.269 5.660 40 0 HKABRN CCOc1cc(/C=C2/C(=O)Nc3ccccc32)cc(Cl)c1OCc1cccc(F)c1 ZINC000009296328 557835234 /nfs/dbraw/zinc/83/52/34/557835234.db2.gz PYHWFQGVTMJSSN-YBFXNURJSA-N 0 0 423.871 5.950 40 0 HKABRN O=C1Nc2ccccc2/C1=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000009296332 557835189 /nfs/dbraw/zinc/83/51/89/557835189.db2.gz IEPQENMABCSGCU-CXUHLZMHSA-N 0 0 414.263 6.204 40 0 HKABRN O=C1Nc2ccccc2/C1=C\c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000009296333 557835252 /nfs/dbraw/zinc/83/52/52/557835252.db2.gz XASIAGYWHIEUJH-WOJGMQOQSA-N 0 0 424.269 5.660 40 0 HKABRN O=C1Nc2ccccc2/C1=C\c1cc(Br)ccc1OCc1ccccc1F ZINC000009296341 557835193 /nfs/dbraw/zinc/83/51/93/557835193.db2.gz MYDDVGCNMWNAOM-LDADJPATSA-N 0 0 424.269 5.660 40 0 HKABRN O=C1Nc2ccccc2/C1=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000009296343 557835201 /nfs/dbraw/zinc/83/52/01/557835201.db2.gz MEIFYAVYDJRNRA-WOJGMQOQSA-N 0 0 424.269 5.660 40 0 HKABRN Cc1ccc(COc2ccc(Br)cc2/C=C2/C(=O)Nc3ccccc32)cc1 ZINC000009296348 557835241 /nfs/dbraw/zinc/83/52/41/557835241.db2.gz ILFQYCDNZKGDNS-DEDYPNTBSA-N 0 0 420.306 5.829 40 0 HKABRN O=C1Nc2ccccc2/C1=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000009296350 557835248 /nfs/dbraw/zinc/83/52/48/557835248.db2.gz QKXUYJBSSMTSOO-RQZCQDPDSA-N 0 0 414.263 6.204 40 0 HKABRN CC(C)n1c2ccccc2c(=O)c(-c2ccc(Cl)cc2)c1NC(=O)c1ccco1 ZINC000009327820 569276533 /nfs/dbraw/zinc/27/65/33/569276533.db2.gz XRQVULNGXBIHSL-UHFFFAOYSA-N 0 0 406.869 5.748 40 0 HKABRN COc1cc(/C=C/C(=O)N2CCC[C@H]3CCCC[C@@H]32)ccc1OCc1c(C)noc1C ZINC000009377930 569036468 /nfs/dbraw/zinc/03/64/68/569036468.db2.gz DZXMYTQQCUBXMW-FQHNMJOISA-N 0 0 424.541 5.073 40 0 HKABRN COc1cc(/C=C/C(=O)N2CCC[C@H]3CCCC[C@H]32)ccc1OCc1c(C)noc1C ZINC000009377932 569036471 /nfs/dbraw/zinc/03/64/71/569036471.db2.gz DZXMYTQQCUBXMW-UEUVIKQWSA-N 0 0 424.541 5.073 40 0 HKABRN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3Cl)C3CCCCC3)cc2c1 ZINC000009461166 557843560 /nfs/dbraw/zinc/84/35/60/557843560.db2.gz UHFLMIIUUADMAE-UHFFFAOYSA-N 0 0 408.929 5.465 40 0 HKABRN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000009570995 560759529 /nfs/dbraw/zinc/75/95/29/560759529.db2.gz AHMJMMVYRFBRGP-UHFFFAOYSA-N 0 0 419.937 5.487 40 0 HKABRN Cn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000009593093 569393657 /nfs/dbraw/zinc/39/36/57/569393657.db2.gz SDTYCQJKAHYZBK-UHFFFAOYSA-N 0 0 414.745 5.647 40 0 HKABRN C[C@H](Oc1ccccc1)c1nnc(SCc2ccc(Br)cc2)n1C ZINC000009593330 569393593 /nfs/dbraw/zinc/39/35/93/569393593.db2.gz YQMCSFNBDWZLIK-ZDUSSCGKSA-N 0 0 404.333 5.010 40 0 HKABRN C[C@@H](Oc1ccccc1)c1nnc(SCc2ccc(Br)cc2)n1C ZINC000009593332 569393636 /nfs/dbraw/zinc/39/36/36/569393636.db2.gz YQMCSFNBDWZLIK-CYBMUJFWSA-N 0 0 404.333 5.010 40 0 HKABRN Cc1ccc(SCCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000009630146 569342523 /nfs/dbraw/zinc/34/25/23/569342523.db2.gz IHYMQMJEVOBMRH-UHFFFAOYSA-N 0 0 409.938 6.000 40 0 HKABRN O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000009630189 560760072 /nfs/dbraw/zinc/76/00/72/560760072.db2.gz PGFKXXCATKAALH-UHFFFAOYSA-N 0 0 410.951 6.348 40 0 HKABRN O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000009630190 560760083 /nfs/dbraw/zinc/76/00/83/560760083.db2.gz BYUUQBVBMIKZAQ-UHFFFAOYSA-N 0 0 410.951 6.348 40 0 HKABRN CCOC(=O)c1c2c(sc1NC(=O)CCSc1ccc(Cl)cc1)CCCC2 ZINC000009630251 560760037 /nfs/dbraw/zinc/76/00/37/560760037.db2.gz AMXSHGIJNIWOHW-UHFFFAOYSA-N 0 0 423.987 5.578 40 0 HKABRN Cc1ccc(Nc2nc3c(cnn3-c3ccccc3)c(Nc3cccc(F)c3)n2)cc1C ZINC000009648418 569284709 /nfs/dbraw/zinc/28/47/09/569284709.db2.gz QUNDLBNWGQBJNQ-UHFFFAOYSA-N 0 0 424.483 6.059 40 0 HKABRN CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1Cl ZINC000009663801 557847938 /nfs/dbraw/zinc/84/79/38/557847938.db2.gz XQNQFTWLTBYSEG-UHFFFAOYSA-N 0 0 406.338 5.171 40 0 HKABRN O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(CSc2ccccc2)cc1 ZINC000009694933 560760189 /nfs/dbraw/zinc/76/01/89/560760189.db2.gz OEMDDBDPPMSZCK-UHFFFAOYSA-N 0 0 403.956 5.574 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000009694934 560760160 /nfs/dbraw/zinc/76/01/60/560760160.db2.gz YTQMDSSAMVCZIZ-UHFFFAOYSA-N 0 0 417.983 5.883 40 0 HKABRN Fc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000009761177 557257782 /nfs/dbraw/zinc/25/77/82/557257782.db2.gz CZFUWBFMYXKGCI-FQEVSTJZSA-N 0 0 419.714 7.142 40 0 HKABRN Fc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000009761178 557257752 /nfs/dbraw/zinc/25/77/52/557257752.db2.gz CZFUWBFMYXKGCI-HXUWFJFHSA-N 0 0 419.714 7.142 40 0 HKABRN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cc2ccccc2oc1=O ZINC000009777655 557849640 /nfs/dbraw/zinc/84/96/40/557849640.db2.gz IGYQWOVXRYSUSE-UHFFFAOYSA-N 0 0 415.836 5.242 40 0 HKABRN CCOc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 ZINC000009816475 557850044 /nfs/dbraw/zinc/85/00/44/557850044.db2.gz NWLSAFCVMFAYTM-UHFFFAOYSA-N 0 0 400.272 5.019 40 0 HKABRN CCOc1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 ZINC000009817254 557850035 /nfs/dbraw/zinc/85/00/35/557850035.db2.gz QBZWUDFFDATOEN-UHFFFAOYSA-N 0 0 406.320 5.163 40 0 HKABRN S=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000009876709 132343779 /nfs/dbraw/zinc/34/37/79/132343779.db2.gz ZBRXAWFOJRNXHT-UHFFFAOYSA-N 0 0 400.762 5.166 40 0 HKABRN Cc1cccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1Cl ZINC000009876721 132343807 /nfs/dbraw/zinc/34/38/07/132343807.db2.gz CDLASMVAYBWVLC-UHFFFAOYSA-N 0 0 414.789 5.474 40 0 HKABRN Cc1ccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(Cl)c1 ZINC000009876728 132343789 /nfs/dbraw/zinc/34/37/89/132343789.db2.gz GFAPIXUXIQFTAW-UHFFFAOYSA-N 0 0 414.789 5.474 40 0 HKABRN CC(C)c1ccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000009876816 132343811 /nfs/dbraw/zinc/34/38/11/132343811.db2.gz LHNOSEWMFVKMAB-UHFFFAOYSA-N 0 0 408.398 5.636 40 0 HKABRN Cc1ccc(C)c(N2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)CC2)c1 ZINC000009876966 132343795 /nfs/dbraw/zinc/34/37/95/132343795.db2.gz BAUQJIZYHZTUHJ-UHFFFAOYSA-N 0 0 417.578 5.615 40 0 HKABRN Cc1ccc(C)c(N2CCN(C(=S)Nc3ccc(Nc4ccccc4)cc3)CC2)c1 ZINC000009876974 132343809 /nfs/dbraw/zinc/34/38/09/132343809.db2.gz RPCJWVZBZDRDFM-UHFFFAOYSA-N 0 0 416.594 5.566 40 0 HKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000009903427 560760401 /nfs/dbraw/zinc/76/04/01/560760401.db2.gz LNUTUGZHBGDTOU-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc(C)c(Cl)c4)nc3c2)c1 ZINC000009906439 557851077 /nfs/dbraw/zinc/85/10/77/557851077.db2.gz QEVQUNDOJBXROL-UHFFFAOYSA-N 0 0 422.868 5.726 40 0 HKABRN COC(=O)c1c2c(sc1NC(=O)CCCSc1ccc(Cl)cc1)CCCC2 ZINC000009910690 557851203 /nfs/dbraw/zinc/85/12/03/557851203.db2.gz OKKQHURPNQEOPL-UHFFFAOYSA-N 0 0 423.987 5.578 40 0 HKABRN Cc1cccc2c1N(C(=O)CSc1nnc(-c3ccccc3)o1)C(C)(C)C=C2C ZINC000009938111 132344355 /nfs/dbraw/zinc/34/43/55/132344355.db2.gz ZDPZVGMVDTXNKJ-UHFFFAOYSA-N 0 0 405.523 5.366 40 0 HKABRN COc1cccc2c1N(C(=O)CSc1nnc(-c3ccccc3)o1)C(C)(C)C=C2C ZINC000009938257 536958716 /nfs/dbraw/zinc/95/87/16/536958716.db2.gz FWSXABPGFOYPAH-UHFFFAOYSA-N 0 0 421.522 5.066 40 0 HKABRN CCOC(=O)c1c2ccc(CSc3ccccc3)c(O)c2sc1NC(C)=O ZINC000009943167 568939717 /nfs/dbraw/zinc/93/97/17/568939717.db2.gz PVNLFNSVZUKYQG-UHFFFAOYSA-N 0 0 401.509 5.034 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2)cc1 ZINC000009959734 557852231 /nfs/dbraw/zinc/85/22/31/557852231.db2.gz PIBSPVGCHLNDPV-UHFFFAOYSA-N 0 0 407.473 5.709 40 0 HKABRN COc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 ZINC000010000487 569342700 /nfs/dbraw/zinc/34/27/00/569342700.db2.gz ZUZNGLCMHNHCJL-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN CCCOc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1OCC ZINC000010003089 569342710 /nfs/dbraw/zinc/34/27/10/569342710.db2.gz QDWWBFMJWQCNNR-UHFFFAOYSA-N 0 0 418.489 5.581 40 0 HKABRN CCc1ccc2oc(-c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3Cl)nc2c1 ZINC000010040094 560763030 /nfs/dbraw/zinc/76/30/30/560763030.db2.gz UBKWQDOXWOPTLD-UHFFFAOYSA-N 0 0 420.852 5.692 40 0 HKABRN CC(C)(C)c1ccc(C(=O)NCC(=O)OC(c2ccccc2)c2ccccc2)cc1 ZINC000010040249 569342688 /nfs/dbraw/zinc/34/26/88/569342688.db2.gz JMQZAICYMWVCHJ-UHFFFAOYSA-N 0 0 401.506 5.047 40 0 HKABRN CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 ZINC000010040286 560763021 /nfs/dbraw/zinc/76/30/21/560763021.db2.gz NKWBUZDCJWPGQV-UHFFFAOYSA-N 0 0 420.852 5.692 40 0 HKABRN Cc1cc2nc(-c3ccc(Cl)c(NC(=O)c4ccc5c(c4)OCO5)c3)oc2c(C)c1 ZINC000010040957 560763025 /nfs/dbraw/zinc/76/30/25/560763025.db2.gz QCLBCEHLRTZBCO-UHFFFAOYSA-N 0 0 420.852 5.746 40 0 HKABRN CC(=O)Oc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000010041719 569342739 /nfs/dbraw/zinc/34/27/39/569342739.db2.gz PJYIROFTNRKOHK-QFIPXVFZSA-N 0 0 408.837 5.046 40 0 HKABRN CC(=O)Oc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000010041720 569342757 /nfs/dbraw/zinc/34/27/57/569342757.db2.gz PJYIROFTNRKOHK-JOCHJYFZSA-N 0 0 408.837 5.046 40 0 HKABRN COc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1OC ZINC000010042480 569342754 /nfs/dbraw/zinc/34/27/54/569342754.db2.gz WFDGRGAGIOCMRK-QFIPXVFZSA-N 0 0 410.853 5.138 40 0 HKABRN COc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1OC ZINC000010042481 569342753 /nfs/dbraw/zinc/34/27/53/569342753.db2.gz WFDGRGAGIOCMRK-JOCHJYFZSA-N 0 0 410.853 5.138 40 0 HKABRN Cc1ccc(CCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000010110395 569342794 /nfs/dbraw/zinc/34/27/94/569342794.db2.gz QZBQBMMGHUSPOV-HKOYGPOVSA-N 0 0 400.478 5.193 40 0 HKABRN CCOc1ccccc1CCCNC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000010110864 557855222 /nfs/dbraw/zinc/85/52/22/557855222.db2.gz XVGAUXVZFUZYSW-UHFFFAOYSA-N 0 0 405.563 5.740 40 0 HKABRN CCOc1ccccc1CCCNC(=O)CSCc1c(Cl)cccc1Cl ZINC000010110881 557855229 /nfs/dbraw/zinc/85/52/29/557855229.db2.gz YWRQOAMNEBLKJY-UHFFFAOYSA-N 0 0 412.382 5.374 40 0 HKABRN CCOc1ccccc1CCCNC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000010110889 569342832 /nfs/dbraw/zinc/34/28/32/569342832.db2.gz SLWXGRUKVRGBTR-UHFFFAOYSA-N 0 0 419.590 6.049 40 0 HKABRN C[C@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000010111771 560763776 /nfs/dbraw/zinc/76/37/76/560763776.db2.gz FCPMGAXMIFKHAA-YJZSVRAESA-N 0 0 417.980 7.056 40 0 HKABRN C[C@@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000010111772 560763863 /nfs/dbraw/zinc/76/38/63/560763863.db2.gz FCPMGAXMIFKHAA-CBTVAOKPSA-N 0 0 417.980 7.056 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000010111795 560763930 /nfs/dbraw/zinc/76/39/30/560763930.db2.gz BUVUFNHZPRWLCJ-FQEVSTJZSA-N 0 0 417.618 7.076 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000010111796 560763932 /nfs/dbraw/zinc/76/39/32/560763932.db2.gz BUVUFNHZPRWLCJ-HXUWFJFHSA-N 0 0 417.618 7.076 40 0 HKABRN C[C@H](NC(=O)c1ccc(I)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111797 560779734 /nfs/dbraw/zinc/77/97/34/560779734.db2.gz XINJPQKRFLPEBW-ZDUSSCGKSA-N 0 0 407.295 5.080 40 0 HKABRN C[C@@H](NC(=O)c1ccc(I)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111798 560779778 /nfs/dbraw/zinc/77/97/78/560779778.db2.gz XINJPQKRFLPEBW-CYBMUJFWSA-N 0 0 407.295 5.080 40 0 HKABRN C[C@H](NC(=O)c1ccccc1I)c1ccc(C(C)(C)C)cc1 ZINC000010111799 560779748 /nfs/dbraw/zinc/77/97/48/560779748.db2.gz YXDHLIYVKMBZSG-ZDUSSCGKSA-N 0 0 407.295 5.080 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1I)c1ccc(C(C)(C)C)cc1 ZINC000010111800 560779741 /nfs/dbraw/zinc/77/97/41/560779741.db2.gz YXDHLIYVKMBZSG-CYBMUJFWSA-N 0 0 407.295 5.080 40 0 HKABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c(Cl)c1Cl ZINC000010111949 560763909 /nfs/dbraw/zinc/76/39/09/560763909.db2.gz GVGIVEFMWFBNEG-LBPRGKRZSA-N 0 0 416.370 5.339 40 0 HKABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c(Cl)c1Cl ZINC000010111950 560763886 /nfs/dbraw/zinc/76/38/86/560763886.db2.gz GVGIVEFMWFBNEG-GFCCVEGCSA-N 0 0 416.370 5.339 40 0 HKABRN COc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)c(Cl)c1Cl ZINC000010112653 557855586 /nfs/dbraw/zinc/85/55/86/557855586.db2.gz KTEFRALSAOQUTI-UHFFFAOYSA-N 0 0 416.326 5.124 40 0 HKABRN O=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1ccc(OC2CCCC2)cc1 ZINC000010112670 560764191 /nfs/dbraw/zinc/76/41/91/560764191.db2.gz RBYJGFWHLWVSLG-UHFFFAOYSA-N 0 0 400.327 5.257 40 0 HKABRN COc1ccc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 ZINC000010112679 560764219 /nfs/dbraw/zinc/76/42/19/560764219.db2.gz JDLPNRBSNHSIBZ-UHFFFAOYSA-N 0 0 419.955 5.442 40 0 HKABRN O=S(=O)(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000010112681 557855642 /nfs/dbraw/zinc/85/56/42/557855642.db2.gz BNSFEBOCIDWVQN-UHFFFAOYSA-N 0 0 407.919 5.572 40 0 HKABRN Cc1ccccc1CS(=O)(=O)Nc1ccccc1SCc1ccc(Cl)cc1 ZINC000010112685 560764207 /nfs/dbraw/zinc/76/42/07/560764207.db2.gz ABCWKFRXONNLEB-UHFFFAOYSA-N 0 0 417.983 5.883 40 0 HKABRN Cc1cccc(CS(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)c1 ZINC000010112686 560764187 /nfs/dbraw/zinc/76/41/87/560764187.db2.gz AGRKWMHJIJQZMG-UHFFFAOYSA-N 0 0 417.983 5.883 40 0 HKABRN O=S(=O)(Cc1ccccc1F)Nc1ccccc1SCc1ccc(Cl)cc1 ZINC000010112692 560764189 /nfs/dbraw/zinc/76/41/89/560764189.db2.gz DNTNBQMVVHESQU-UHFFFAOYSA-N 0 0 421.946 5.713 40 0 HKABRN O=S(=O)(Cc1ccc(F)cc1)Nc1ccccc1SCc1ccc(Cl)cc1 ZINC000010112693 557855659 /nfs/dbraw/zinc/85/56/59/557855659.db2.gz WOHOWRAYMFSXAH-UHFFFAOYSA-N 0 0 421.946 5.713 40 0 HKABRN O=C(c1ccccc1SCc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000010113899 132345372 /nfs/dbraw/zinc/34/53/72/132345372.db2.gz QCSLTWOBORSVNS-UHFFFAOYSA-N 0 0 422.981 5.595 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2)cc1Cl ZINC000010119193 569342990 /nfs/dbraw/zinc/34/29/90/569342990.db2.gz SLXYRADXCPXOIF-UHFFFAOYSA-N 0 0 404.853 5.090 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2C)cc1Cl ZINC000010119194 569342979 /nfs/dbraw/zinc/34/29/79/569342979.db2.gz DUVWWAMTXMXLHQ-UHFFFAOYSA-N 0 0 418.880 5.398 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(C)c2)cc1Cl ZINC000010119195 569342997 /nfs/dbraw/zinc/34/29/97/569342997.db2.gz QLPCRNAATPXAKJ-UHFFFAOYSA-N 0 0 418.880 5.398 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C)cc2)cc1Cl ZINC000010119196 569342964 /nfs/dbraw/zinc/34/29/64/569342964.db2.gz LXMRKVYTJZBODD-UHFFFAOYSA-N 0 0 418.880 5.398 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2F)cc1Cl ZINC000010119207 569343003 /nfs/dbraw/zinc/34/30/03/569343003.db2.gz GTDGBPFRAKAUSH-UHFFFAOYSA-N 0 0 422.843 5.229 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(F)cc2)cc1Cl ZINC000010119208 569342986 /nfs/dbraw/zinc/34/29/86/569342986.db2.gz UXPCPGNOXPRREA-UHFFFAOYSA-N 0 0 422.843 5.229 40 0 HKABRN Cc1nc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1Cl ZINC000010119508 557855826 /nfs/dbraw/zinc/85/58/26/557855826.db2.gz OXSXQFJSWBGVKF-RUDMXATFSA-N 0 0 407.684 6.262 40 0 HKABRN CCc1cc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)oc2c(Br)c1 ZINC000010119697 560764279 /nfs/dbraw/zinc/76/42/79/560764279.db2.gz IWOYGQSMHBHOIC-UHFFFAOYSA-N 0 0 421.294 6.072 40 0 HKABRN CCCCC(=O)Nc1ccc(-c2nc3cc(CC)cc(Br)c3o2)cc1 ZINC000010119746 560765216 /nfs/dbraw/zinc/76/52/16/560765216.db2.gz FRVONAQQDCVDRM-UHFFFAOYSA-N 0 0 401.304 5.948 40 0 HKABRN CCCCCC(=O)Nc1ccc(-c2nc3cc(CC)cc(Br)c3o2)cc1 ZINC000010119747 560765227 /nfs/dbraw/zinc/76/52/27/560765227.db2.gz FGWVEFLMZQOCCK-UHFFFAOYSA-N 0 0 415.331 6.339 40 0 HKABRN CCc1cc2nc(-c3ccc(NC(=O)CC(C)C)cc3)oc2c(Br)c1 ZINC000010119748 560765266 /nfs/dbraw/zinc/76/52/66/560765266.db2.gz UFJWKFGTWZTKOB-UHFFFAOYSA-N 0 0 401.304 5.804 40 0 HKABRN CCc1cc2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)oc2c(Br)c1 ZINC000010119750 560765255 /nfs/dbraw/zinc/76/52/55/560765255.db2.gz GCFKOJNIGAVNHA-UHFFFAOYSA-N 0 0 401.304 5.804 40 0 HKABRN CCc1cc2nc(-c3ccc(NC(=O)C(F)(F)F)cc3)oc2c(Br)c1 ZINC000010119751 560765260 /nfs/dbraw/zinc/76/52/60/560765260.db2.gz YSJJKDMDRVJOEM-UHFFFAOYSA-N 0 0 413.193 5.321 40 0 HKABRN CCc1cc2nc(-c3ccc(NC(=O)c4ccco4)cc3)oc2c(Br)c1 ZINC000010119762 560765220 /nfs/dbraw/zinc/76/52/20/560765220.db2.gz GTUJUMNBSDXNIO-UHFFFAOYSA-N 0 0 411.255 5.665 40 0 HKABRN CCc1cc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)oc2c(Br)c1 ZINC000010119779 560765257 /nfs/dbraw/zinc/76/52/57/560765257.db2.gz YHLBYPBDUBUYLK-UHFFFAOYSA-N 0 0 422.282 5.467 40 0 HKABRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccccc1Br ZINC000010120001 560764395 /nfs/dbraw/zinc/76/43/95/560764395.db2.gz PPSXRAMINHLJCL-UHFFFAOYSA-N 0 0 407.267 5.433 40 0 HKABRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1cccc(Br)c1 ZINC000010120002 560764379 /nfs/dbraw/zinc/76/43/79/560764379.db2.gz FZKDIUORTPBHAN-UHFFFAOYSA-N 0 0 407.267 5.433 40 0 HKABRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(Br)cc1 ZINC000010120003 568458720 /nfs/dbraw/zinc/45/87/20/568458720.db2.gz YCYBWKTWBPCFHK-UHFFFAOYSA-N 0 0 407.267 5.433 40 0 HKABRN CCOc1cc(OCC)cc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c1 ZINC000010120018 560764383 /nfs/dbraw/zinc/76/43/83/560764383.db2.gz VIFXUEYRAVLHTD-UHFFFAOYSA-N 0 0 416.477 5.468 40 0 HKABRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1c(F)c(F)c(F)c(F)c1F ZINC000010120023 560764397 /nfs/dbraw/zinc/76/43/97/560764397.db2.gz QAAPJGWQEGTFFX-UHFFFAOYSA-N 0 0 418.321 5.366 40 0 HKABRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(-c2ccccc2)cc1 ZINC000010120024 560764482 /nfs/dbraw/zinc/76/44/82/560764482.db2.gz QABYNWUXAVENTQ-UHFFFAOYSA-N 0 0 404.469 6.338 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1Cl ZINC000010120025 560764465 /nfs/dbraw/zinc/76/44/65/560764465.db2.gz ZUFHDHLAVGNOSO-UHFFFAOYSA-N 0 0 406.869 5.723 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 ZINC000010120028 560764479 /nfs/dbraw/zinc/76/44/79/560764479.db2.gz RYBRENVFBCWIAU-UHFFFAOYSA-N 0 0 400.478 5.850 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c1 ZINC000010120033 560764486 /nfs/dbraw/zinc/76/44/86/560764486.db2.gz RYKGBZPCXHBINN-UHFFFAOYSA-N 0 0 400.478 5.850 40 0 HKABRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1sc2ccccc2c1Cl ZINC000010120065 560764448 /nfs/dbraw/zinc/76/44/48/560764448.db2.gz CQZJYTNTRXRFFE-UHFFFAOYSA-N 0 0 418.905 6.539 40 0 HKABRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)C(c1ccccc1)c1ccccc1 ZINC000010120068 560764497 /nfs/dbraw/zinc/76/44/97/560764497.db2.gz AEOWVOQIECZMLS-UHFFFAOYSA-N 0 0 418.496 6.189 40 0 HKABRN O=C(CSc1ccc(Cl)cc1)Nc1ccc2oc(Cc3ccccc3)nc2c1 ZINC000010120071 560764445 /nfs/dbraw/zinc/76/44/45/560764445.db2.gz IBTWWDBHMJHBBN-UHFFFAOYSA-N 0 0 408.910 5.803 40 0 HKABRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1cccc2c(Cl)cccc12 ZINC000010120076 560764464 /nfs/dbraw/zinc/76/44/64/560764464.db2.gz IMKWUNUJDFRFDG-UHFFFAOYSA-N 0 0 412.876 6.478 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1 ZINC000010120079 560764492 /nfs/dbraw/zinc/76/44/92/560764492.db2.gz KRZVUVRXKMNOBC-UHFFFAOYSA-N 0 0 408.457 5.833 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(Cc3ccccc3)nc2c1 ZINC000010120099 560764503 /nfs/dbraw/zinc/76/45/03/560764503.db2.gz PHTWNQFRCKEGJZ-DTQAZKPQSA-N 0 0 420.468 6.331 40 0 HKABRN CC(C)COc1cccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c1 ZINC000010120115 560764505 /nfs/dbraw/zinc/76/45/05/560764505.db2.gz LLDLEGYRLNTLQD-UHFFFAOYSA-N 0 0 400.478 5.706 40 0 HKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c1 ZINC000010120116 560764501 /nfs/dbraw/zinc/76/45/01/560764501.db2.gz YXZNSJCKTCFDQJ-QGZVFWFLSA-N 0 0 400.478 5.848 40 0 HKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c1 ZINC000010120117 560764480 /nfs/dbraw/zinc/76/44/80/560764480.db2.gz YXZNSJCKTCFDQJ-KRWDZBQOSA-N 0 0 400.478 5.848 40 0 HKABRN CC(C)COc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 ZINC000010120118 560764459 /nfs/dbraw/zinc/76/44/59/560764459.db2.gz AKCGUMCROUNGMV-UHFFFAOYSA-N 0 0 400.478 5.706 40 0 HKABRN CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 ZINC000010120119 560764457 /nfs/dbraw/zinc/76/44/57/560764457.db2.gz AFLBLESEZQAWQW-QGZVFWFLSA-N 0 0 400.478 5.848 40 0 HKABRN CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 ZINC000010120120 560764453 /nfs/dbraw/zinc/76/44/53/560764453.db2.gz AFLBLESEZQAWQW-KRWDZBQOSA-N 0 0 400.478 5.848 40 0 HKABRN CC(C)c1ccc(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 ZINC000010120125 560764494 /nfs/dbraw/zinc/76/44/94/560764494.db2.gz SKHXOBDERCNVGD-UHFFFAOYSA-N 0 0 400.478 5.560 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 ZINC000010120126 560764499 /nfs/dbraw/zinc/76/44/99/560764499.db2.gz NCVLVHFIDJZFOF-UHFFFAOYSA-N 0 0 414.505 5.734 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1 ZINC000010120130 560764470 /nfs/dbraw/zinc/76/44/70/560764470.db2.gz OILPPJCATRYSDC-UHFFFAOYSA-N 0 0 420.896 5.868 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc(C)c1Cl ZINC000010120135 560764455 /nfs/dbraw/zinc/76/44/55/560764455.db2.gz JUNUFSAIWNSNHG-UHFFFAOYSA-N 0 0 420.896 5.706 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)ccc1Cl ZINC000010120136 560764484 /nfs/dbraw/zinc/76/44/84/560764484.db2.gz ZYMAEWYXTPBCNN-UHFFFAOYSA-N 0 0 406.869 5.398 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c1 ZINC000010120144 560764451 /nfs/dbraw/zinc/76/44/51/560764451.db2.gz QGNPXNKRVXXIIY-UHFFFAOYSA-N 0 0 414.505 5.868 40 0 HKABRN Cc1cc(C)c(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c(Cl)c1 ZINC000010120145 560764488 /nfs/dbraw/zinc/76/44/88/560764488.db2.gz PGQRDKJRFYHDNH-UHFFFAOYSA-N 0 0 420.896 5.706 40 0 HKABRN COc1cc(-c2nc3cc(NC(=O)c4ccccc4C)ccc3o2)cc(OC)c1OC ZINC000010120150 560764462 /nfs/dbraw/zinc/76/44/62/560764462.db2.gz NAZFAIGWYBZNHY-UHFFFAOYSA-N 0 0 418.449 5.081 40 0 HKABRN COc1cc(-c2nc3cc(NC(=O)c4cccc(C)c4)ccc3o2)cc(OC)c1OC ZINC000010120151 560764467 /nfs/dbraw/zinc/76/44/67/560764467.db2.gz WSNQULXWNQXIMG-UHFFFAOYSA-N 0 0 418.449 5.081 40 0 HKABRN COc1cc(-c2nc3cc(NC(=O)c4ccc(C)cc4)ccc3o2)cc(OC)c1OC ZINC000010120152 560764442 /nfs/dbraw/zinc/76/44/42/560764442.db2.gz ZTXUFFVOBRCNMD-UHFFFAOYSA-N 0 0 418.449 5.081 40 0 HKABRN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2oc(Cc3ccccc3)nc2c1 ZINC000010120290 560764560 /nfs/dbraw/zinc/76/45/60/560764560.db2.gz QXCGBAVTBUSKRY-UHFFFAOYSA-N 0 0 400.522 5.964 40 0 HKABRN Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(C(C)(C)C)cc4)cc3)oc2cc1C ZINC000010120301 560764563 /nfs/dbraw/zinc/76/45/63/560764563.db2.gz QHYCPJVHRXKPFO-UHFFFAOYSA-N 0 0 412.533 6.339 40 0 HKABRN Cc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1Cl ZINC000010120302 560764579 /nfs/dbraw/zinc/76/45/79/560764579.db2.gz LZYXWZZVFINADF-UHFFFAOYSA-N 0 0 404.897 6.003 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1Cl ZINC000010120325 560764588 /nfs/dbraw/zinc/76/45/88/560764588.db2.gz VUINXNMRJLRAHB-UHFFFAOYSA-N 0 0 420.896 5.704 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c(OC)c1 ZINC000010120327 560764573 /nfs/dbraw/zinc/76/45/73/560764573.db2.gz UGDJFXZHGVXXKU-UHFFFAOYSA-N 0 0 416.477 5.059 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1OC ZINC000010120328 560764577 /nfs/dbraw/zinc/76/45/77/560764577.db2.gz FYENAIGEBKOFPF-UHFFFAOYSA-N 0 0 416.477 5.059 40 0 HKABRN COc1cc(OC)cc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 ZINC000010120329 560764581 /nfs/dbraw/zinc/76/45/81/560764581.db2.gz POCAAEPUNLDTIQ-UHFFFAOYSA-N 0 0 416.477 5.059 40 0 HKABRN CCOc1cccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 ZINC000010120332 560764576 /nfs/dbraw/zinc/76/45/76/560764576.db2.gz JQUGXOIWLBUTCP-UHFFFAOYSA-N 0 0 400.478 5.440 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 ZINC000010120335 560764568 /nfs/dbraw/zinc/76/45/68/560764568.db2.gz WTUDOGBXDFWWTM-UHFFFAOYSA-N 0 0 400.478 5.440 40 0 HKABRN CCCOc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 ZINC000010120341 560764586 /nfs/dbraw/zinc/76/45/86/560764586.db2.gz MZATXTXZWCGZEI-UHFFFAOYSA-N 0 0 414.505 5.830 40 0 HKABRN Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(OC(C)C)cc4)cc3)oc2cc1C ZINC000010120342 560764565 /nfs/dbraw/zinc/76/45/65/560764565.db2.gz DKGSRAYENRLWTQ-UHFFFAOYSA-N 0 0 414.505 5.829 40 0 HKABRN CCCOc1cccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 ZINC000010120345 560764567 /nfs/dbraw/zinc/76/45/67/560764567.db2.gz WYCDCJAIIUGINQ-UHFFFAOYSA-N 0 0 414.505 5.830 40 0 HKABRN Cc1cc2nc(-c3ccc(CNC(=O)c4cccc(OC(C)C)c4)cc3)oc2cc1C ZINC000010120346 560764580 /nfs/dbraw/zinc/76/45/80/560764580.db2.gz KVHZPNUCGDGDAC-UHFFFAOYSA-N 0 0 414.505 5.829 40 0 HKABRN COc1c(C)cccc1C(=O)NCc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 ZINC000010120348 560764587 /nfs/dbraw/zinc/76/45/87/560764587.db2.gz PPMDXXOVSILXLI-UHFFFAOYSA-N 0 0 400.478 5.359 40 0 HKABRN COc1ccc(Cl)cc1C(=O)NCc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 ZINC000010120352 560764584 /nfs/dbraw/zinc/76/45/84/560764584.db2.gz SVZSJVZLHSWVFT-UHFFFAOYSA-N 0 0 420.896 5.704 40 0 HKABRN Cc1cc2nc(-c3ccc(CNC(=O)Cc4ccc(Cl)cc4)cc3)oc2cc1C ZINC000010120382 560764660 /nfs/dbraw/zinc/76/46/60/560764660.db2.gz RILYFKPADOVQLO-UHFFFAOYSA-N 0 0 404.897 5.624 40 0 HKABRN Cc1cc2nc(-c3ccc(CNC(=O)CSc4ccccc4)cc3)oc2cc1C ZINC000010120384 560764622 /nfs/dbraw/zinc/76/46/22/560764622.db2.gz UIMDAZKWGJCPNP-UHFFFAOYSA-N 0 0 402.519 5.520 40 0 HKABRN Cc1cc2nc(-c3ccc(CNC(=O)c4cccc5ccccc54)cc3)oc2cc1C ZINC000010120387 560764685 /nfs/dbraw/zinc/76/46/85/560764685.db2.gz IIFZQLMJJWHBSY-UHFFFAOYSA-N 0 0 406.485 6.195 40 0 HKABRN Cc1cc2nc(-c3ccc(CNC(=O)/C=C/c4ccc(Cl)cc4)cc3)oc2cc1C ZINC000010120401 560764666 /nfs/dbraw/zinc/76/46/66/560764666.db2.gz XPNZSOLKXIAJEL-KPKJPENVSA-N 0 0 416.908 6.095 40 0 HKABRN COc1ccc(/C=C/C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 ZINC000010120404 560764672 /nfs/dbraw/zinc/76/46/72/560764672.db2.gz QBUARXZZOGCSQC-MDWZMJQESA-N 0 0 412.489 5.450 40 0 HKABRN Cc1cc2nc(-c3ccc(CNC(=O)/C=C/c4ccc(C(C)C)cc4)cc3)oc2cc1C ZINC000010120405 560764674 /nfs/dbraw/zinc/76/46/74/560764674.db2.gz VZLSOQKVGRFUQH-NTEUORMPSA-N 0 0 424.544 6.565 40 0 HKABRN Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(-c5ccccc5)o4)cc3)oc2cc1C ZINC000010120424 560764619 /nfs/dbraw/zinc/76/46/19/560764619.db2.gz ZPAGLYIGPCEWOV-UHFFFAOYSA-N 0 0 422.484 6.302 40 0 HKABRN Cc1ccccc1OCC(=O)NCc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 ZINC000010120434 560764683 /nfs/dbraw/zinc/76/46/83/560764683.db2.gz JISHJGJCWATNNQ-UHFFFAOYSA-N 0 0 400.478 5.115 40 0 HKABRN Cc1cccc(OCC(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 ZINC000010120435 560764647 /nfs/dbraw/zinc/76/46/47/560764647.db2.gz VYJZWOQBAVVAKF-UHFFFAOYSA-N 0 0 400.478 5.115 40 0 HKABRN Cc1ccc(OCC(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 ZINC000010120436 560764662 /nfs/dbraw/zinc/76/46/62/560764662.db2.gz HUYMGPKPUZVWOU-UHFFFAOYSA-N 0 0 400.478 5.115 40 0 HKABRN CCc1ccc(OCC(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 ZINC000010120437 560764646 /nfs/dbraw/zinc/76/46/46/560764646.db2.gz NIQQNLZRDGTUHH-UHFFFAOYSA-N 0 0 414.505 5.369 40 0 HKABRN Cc1cccc(OCC(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1C ZINC000010120444 560764627 /nfs/dbraw/zinc/76/46/27/560764627.db2.gz PPDKYIGQJHBSQS-UHFFFAOYSA-N 0 0 414.505 5.424 40 0 HKABRN Cc1ccc(OCC(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c(C)c1 ZINC000010120445 560764639 /nfs/dbraw/zinc/76/46/39/560764639.db2.gz PIMHHIWKOMXEPK-UHFFFAOYSA-N 0 0 414.505 5.424 40 0 HKABRN Cc1cc(C)cc(OCC(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 ZINC000010120446 560764670 /nfs/dbraw/zinc/76/46/70/560764670.db2.gz QVASRJIVHQIZJN-UHFFFAOYSA-N 0 0 414.505 5.424 40 0 HKABRN Cc1cc2nc(-c3ccc(CNC(=O)COc4ccc(Cl)cc4)cc3)oc2cc1C ZINC000010120450 560764668 /nfs/dbraw/zinc/76/46/68/560764668.db2.gz TYQHBKWDBWEWBG-UHFFFAOYSA-N 0 0 420.896 5.460 40 0 HKABRN Cc1cc2nc(-c3ccc(CNC(=O)COc4ccccc4Cl)cc3)oc2cc1C ZINC000010120454 560764657 /nfs/dbraw/zinc/76/46/57/560764657.db2.gz YQPVWDHHFAWOOV-UHFFFAOYSA-N 0 0 420.896 5.460 40 0 HKABRN O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccccc1Br ZINC000010128814 560764806 /nfs/dbraw/zinc/76/48/06/560764806.db2.gz YWQNOHLPSWWLCL-UHFFFAOYSA-N 0 0 420.262 5.475 40 0 HKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000010128828 560764816 /nfs/dbraw/zinc/76/48/16/560764816.db2.gz IZHNPPXGUQNGKT-UHFFFAOYSA-N 0 0 419.864 5.439 40 0 HKABRN O=C(COc1ccc2ccccc2c1)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000010128851 560764777 /nfs/dbraw/zinc/76/47/77/560764777.db2.gz YDZDUUPIEIBBLQ-UHFFFAOYSA-N 0 0 421.452 5.631 40 0 HKABRN O=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000010128854 560764765 /nfs/dbraw/zinc/76/47/65/560764765.db2.gz OABYEZUZTDSXEP-UHFFFAOYSA-N 0 0 421.905 5.844 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c1 ZINC000010128861 560764794 /nfs/dbraw/zinc/76/47/94/560764794.db2.gz DGOLQQKQAVRDGT-UHFFFAOYSA-N 0 0 413.473 5.891 40 0 HKABRN Cc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1-c1cc2ccccc2oc1=O ZINC000010128869 560764796 /nfs/dbraw/zinc/76/47/96/560764796.db2.gz PDUIHVXORLQWMC-MDWZMJQESA-N 0 0 415.876 6.074 40 0 HKABRN Cc1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1-c1cc2ccccc2oc1=O ZINC000010128873 560764809 /nfs/dbraw/zinc/76/48/09/560764809.db2.gz ZITAXSORFINZIT-XNTDXEJSSA-N 0 0 423.512 6.544 40 0 HKABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(C)c1 ZINC000010128882 560764800 /nfs/dbraw/zinc/76/48/00/560764800.db2.gz CNIWYLVQLWEHPZ-UHFFFAOYSA-N 0 0 419.864 5.683 40 0 HKABRN CCc1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)cc1 ZINC000010128885 560764780 /nfs/dbraw/zinc/76/47/80/560764780.db2.gz MNFLKZQRSQJLHL-UHFFFAOYSA-N 0 0 413.473 5.348 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)cc1C ZINC000010128893 560764801 /nfs/dbraw/zinc/76/48/01/560764801.db2.gz QWACJFQCQUWTBC-UHFFFAOYSA-N 0 0 413.473 5.403 40 0 HKABRN COc1cc(NC(=O)c2ccc(C)cc2Cl)ccc1-c1cc2ccccc2oc1=O ZINC000010128914 560764815 /nfs/dbraw/zinc/76/48/15/560764815.db2.gz OUERIDOGSAPJGL-UHFFFAOYSA-N 0 0 419.864 5.683 40 0 HKABRN COc1cc(NC(=O)c2cccc(C)c2OC)ccc1-c1cc2ccccc2oc1=O ZINC000010128920 560764798 /nfs/dbraw/zinc/76/47/98/560764798.db2.gz GABVFFVJEPMGEE-UHFFFAOYSA-N 0 0 415.445 5.038 40 0 HKABRN Cc1ccccc1OCC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000010128939 560764821 /nfs/dbraw/zinc/76/48/21/560764821.db2.gz JTPRKQFTEXWABA-UHFFFAOYSA-N 0 0 419.864 5.439 40 0 HKABRN CC(C)Oc1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 ZINC000010156192 557856013 /nfs/dbraw/zinc/85/60/13/557856013.db2.gz WMQPNJNQSRGZOL-UHFFFAOYSA-N 0 0 420.347 5.551 40 0 HKABRN Cc1nn2c(nnc3c2C[C@H](C=Cc2ccccc2)CC3=O)c1-c1cccc(Cl)c1 ZINC000010156914 557856211 /nfs/dbraw/zinc/85/62/11/557856211.db2.gz MGCNKKHDIXXKHK-DVQDXYAYSA-N 0 0 414.896 5.212 40 0 HKABRN Cc1nn2c(nnc3c2C[C@@H](C=Cc2ccccc2)CC3=O)c1-c1cccc(Cl)c1 ZINC000010156915 557856251 /nfs/dbraw/zinc/85/62/51/557856251.db2.gz MGCNKKHDIXXKHK-SXSDINLZSA-N 0 0 414.896 5.212 40 0 HKABRN CC(C)c1nn2c(nnc3c2C[C@H](C=Cc2ccccc2)CC3=O)c1-c1ccccc1 ZINC000010156954 557856259 /nfs/dbraw/zinc/85/62/59/557856259.db2.gz DFZBLHVDTMKLGG-KQDNUWKFSA-N 0 0 408.505 5.373 40 0 HKABRN CC(C)c1nn2c(nnc3c2C[C@@H](C=Cc2ccccc2)CC3=O)c1-c1ccccc1 ZINC000010156955 557856201 /nfs/dbraw/zinc/85/62/01/557856201.db2.gz DFZBLHVDTMKLGG-JKIKYLSZSA-N 0 0 408.505 5.373 40 0 HKABRN CC(C)c1nn2c(nnc3c2C[C@H](c2cccs2)CC3=O)c1-c1ccc(F)cc1 ZINC000010156988 557856503 /nfs/dbraw/zinc/85/65/03/557856503.db2.gz NJNIJXVJHISJPP-AWEZNQCLSA-N 0 0 406.486 5.028 40 0 HKABRN CC(C)c1nn2c(nnc3c2C[C@@H](c2cccs2)CC3=O)c1-c1ccc(F)cc1 ZINC000010156989 557856477 /nfs/dbraw/zinc/85/64/77/557856477.db2.gz NJNIJXVJHISJPP-CQSZACIVSA-N 0 0 406.486 5.028 40 0 HKABRN CC(C)c1nn2c(nnc3c2C[C@H](c2ccco2)CC3=O)c1-c1cccc(Cl)c1 ZINC000010157002 557856448 /nfs/dbraw/zinc/85/64/48/557856448.db2.gz OCIKLHAHPOAWNF-AWEZNQCLSA-N 0 0 406.873 5.074 40 0 HKABRN CC(C)c1nn2c(nnc3c2C[C@@H](c2ccco2)CC3=O)c1-c1cccc(Cl)c1 ZINC000010157003 557856467 /nfs/dbraw/zinc/85/64/67/557856467.db2.gz OCIKLHAHPOAWNF-CQSZACIVSA-N 0 0 406.873 5.074 40 0 HKABRN O=C1C[C@H](c2ccco2)Cc2c1c(Nc1cccc(Cl)c1)nn2-c1ccccc1 ZINC000010157229 557856459 /nfs/dbraw/zinc/85/64/59/557856459.db2.gz VVVKNUVGYZUBMV-OAHLLOKOSA-N 0 0 403.869 5.775 40 0 HKABRN O=C1C[C@@H](c2ccco2)Cc2c1c(Nc1cccc(Cl)c1)nn2-c1ccccc1 ZINC000010157230 557856498 /nfs/dbraw/zinc/85/64/98/557856498.db2.gz VVVKNUVGYZUBMV-HNNXBMFYSA-N 0 0 403.869 5.775 40 0 HKABRN Clc1ccc(CSc2nc3ccccc3c3nc(-c4ccncc4)nn32)cc1 ZINC000010157689 557856600 /nfs/dbraw/zinc/85/66/00/557856600.db2.gz RCIRUZNXTGQEEC-UHFFFAOYSA-N 0 0 403.898 5.285 40 0 HKABRN Cc1ccc2c(c1)N(C(=O)CSc1nnc(-c3ccccc3)o1)C(C)(C)C=C2C ZINC000010157747 557856957 /nfs/dbraw/zinc/85/69/57/557856957.db2.gz NDOXVXDLNAFDRO-UHFFFAOYSA-N 0 0 405.523 5.366 40 0 HKABRN COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nnc(-c2ccccc2)o1 ZINC000010157754 557856845 /nfs/dbraw/zinc/85/68/45/557856845.db2.gz VAFVAGFWCUWRMD-UHFFFAOYSA-N 0 0 421.522 5.066 40 0 HKABRN O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000010231827 132345519 /nfs/dbraw/zinc/34/55/19/132345519.db2.gz KCTCRBBJAXGLMC-UHFFFAOYSA-N 0 0 423.988 5.143 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCCSCc2ccccc2F)c2ccccc2)cc1 ZINC000010280400 557858101 /nfs/dbraw/zinc/85/81/01/557858101.db2.gz KEJSJOAWVUCJRW-HAVVHWLPSA-N 0 0 421.537 5.425 40 0 HKABRN CC1(C)Cc2cc(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)ccc2O1 ZINC000010299077 569343279 /nfs/dbraw/zinc/34/32/79/569343279.db2.gz CYVHYCISGQWPQA-UHFFFAOYSA-N 0 0 420.549 5.800 40 0 HKABRN C[C@@H]1Cc2cc(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)ccc2O1 ZINC000010299083 569343293 /nfs/dbraw/zinc/34/32/93/569343293.db2.gz CFZHNIXZKMNNSF-CQSZACIVSA-N 0 0 406.522 5.410 40 0 HKABRN C[C@H]1Cc2cc(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)ccc2O1 ZINC000010299086 569343284 /nfs/dbraw/zinc/34/32/84/569343284.db2.gz CFZHNIXZKMNNSF-AWEZNQCLSA-N 0 0 406.522 5.410 40 0 HKABRN CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000010314194 560767264 /nfs/dbraw/zinc/76/72/64/560767264.db2.gz CQKSOLHVTPHVAT-UHFFFAOYSA-N 0 0 422.550 5.182 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2C)cc1 ZINC000010314200 569343369 /nfs/dbraw/zinc/34/33/69/569343369.db2.gz PKTCLZIWXLLMNA-UHFFFAOYSA-N 0 0 422.550 5.480 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3c(C)cccc3C(C)C)c2)cc1 ZINC000010314251 569343349 /nfs/dbraw/zinc/34/33/49/569343349.db2.gz JRASISAEZMTFGK-UHFFFAOYSA-N 0 0 422.550 5.480 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000010314270 569343379 /nfs/dbraw/zinc/34/33/79/569343379.db2.gz MDPLFGYEQIFNQT-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000010314296 569343383 /nfs/dbraw/zinc/34/33/83/569343383.db2.gz ZBKQLIXOINOFPT-UHFFFAOYSA-N 0 0 422.550 5.173 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3Cl)ccc2C)cc1 ZINC000010314320 569343365 /nfs/dbraw/zinc/34/33/65/569343365.db2.gz QHAREIBMFIVJAA-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3)cc2C)cc1 ZINC000010314345 560767257 /nfs/dbraw/zinc/76/72/57/560767257.db2.gz FKDYYSFBRDEPIQ-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)C)cc2C)cc1 ZINC000010314371 569343405 /nfs/dbraw/zinc/34/34/05/569343405.db2.gz WHMLOVYSVXJYGD-UHFFFAOYSA-N 0 0 422.550 5.480 40 0 HKABRN Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1Cl ZINC000010314381 569343467 /nfs/dbraw/zinc/34/34/67/569343467.db2.gz BFDYAAYDMRUSRH-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1NS(=O)(=O)c1ccccc1 ZINC000010314392 569343412 /nfs/dbraw/zinc/34/34/12/569343412.db2.gz GKRJDXGYMSUJMM-UHFFFAOYSA-N 0 0 408.523 5.172 40 0 HKABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000010314395 560767428 /nfs/dbraw/zinc/76/74/28/560767428.db2.gz OUEWHDQSDKJOQN-UHFFFAOYSA-N 0 0 408.523 5.172 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2C)cc1 ZINC000010314399 569343395 /nfs/dbraw/zinc/34/33/95/569343395.db2.gz FUZJYMHQZLLEBY-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1NS(=O)(=O)c1ccccc1 ZINC000010314435 569343428 /nfs/dbraw/zinc/34/34/28/569343428.db2.gz DOWLETGGOCCEEY-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000010314468 569343451 /nfs/dbraw/zinc/34/34/51/569343451.db2.gz LNCKWWOGRQRKDA-UHFFFAOYSA-N 0 0 422.550 5.391 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C ZINC000010314520 569343422 /nfs/dbraw/zinc/34/34/22/569343422.db2.gz XFMNFYYNMZSDSY-UHFFFAOYSA-N 0 0 422.550 5.227 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000010314547 560767392 /nfs/dbraw/zinc/76/73/92/560767392.db2.gz SDJPBAVKIKWAIX-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc4ccccc43)c2)cc1 ZINC000010314647 560767374 /nfs/dbraw/zinc/76/73/74/560767374.db2.gz QDKRKUMHTFWUDB-UHFFFAOYSA-N 0 0 416.502 5.201 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000010314653 569343469 /nfs/dbraw/zinc/34/34/69/569343469.db2.gz KXZCFGMDMMAFTH-UHFFFAOYSA-N 0 0 422.550 5.173 40 0 HKABRN Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010314654 569343465 /nfs/dbraw/zinc/34/34/65/569343465.db2.gz IIMVVSIVKZEMGK-UHFFFAOYSA-N 0 0 408.523 5.172 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000010314658 557859483 /nfs/dbraw/zinc/85/94/83/557859483.db2.gz OUOXEWKQHPBNIR-UHFFFAOYSA-N 0 0 422.550 5.227 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 ZINC000010314665 569343418 /nfs/dbraw/zinc/34/34/18/569343418.db2.gz KQYFKBXMKFURDJ-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C(C)C)c2C)cc1 ZINC000010314684 569343403 /nfs/dbraw/zinc/34/34/03/569343403.db2.gz CJZAFHJOQIEOMG-UHFFFAOYSA-N 0 0 422.550 5.480 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010314698 560767346 /nfs/dbraw/zinc/76/73/46/560767346.db2.gz XMUIONLUGPKCQW-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN Cc1cccc(C(C)C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010314784 569343410 /nfs/dbraw/zinc/34/34/10/569343410.db2.gz BLTFLSVJOWXARG-UHFFFAOYSA-N 0 0 408.523 5.172 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cc3C)c2)cc1 ZINC000010314851 569343544 /nfs/dbraw/zinc/34/35/44/569343544.db2.gz BSAFLDYLFLXRCK-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1cc(C(=O)Nc2cccc3ccccc32)ccc1NS(=O)(=O)c1ccccc1 ZINC000010314852 569343526 /nfs/dbraw/zinc/34/35/26/569343526.db2.gz WOEJYTABGUBVCN-UHFFFAOYSA-N 0 0 416.502 5.201 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2C)cc1 ZINC000010314867 569343572 /nfs/dbraw/zinc/34/35/72/569343572.db2.gz VIPSSJDQRUJCEM-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc2ccccc2c1 ZINC000010314899 569343534 /nfs/dbraw/zinc/34/35/34/569343534.db2.gz FJOZDSQZXWRRIE-UHFFFAOYSA-N 0 0 416.502 5.201 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1 ZINC000010314915 569343503 /nfs/dbraw/zinc/34/35/03/569343503.db2.gz PGXXJNCSWBJUER-UHFFFAOYSA-N 0 0 408.523 5.172 40 0 HKABRN CCCCc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000010314928 569343522 /nfs/dbraw/zinc/34/35/22/569343522.db2.gz ZKCHECDYSUNZFM-UHFFFAOYSA-N 0 0 408.523 5.082 40 0 HKABRN CCCCc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010314934 569343495 /nfs/dbraw/zinc/34/34/95/569343495.db2.gz VWVPFSIKJPUZLQ-UHFFFAOYSA-N 0 0 422.550 5.391 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000010314965 569343576 /nfs/dbraw/zinc/34/35/76/569343576.db2.gz SCWWHFLNTNFFAB-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cccc2ccccc21 ZINC000010315033 569343568 /nfs/dbraw/zinc/34/35/68/569343568.db2.gz WEQHBCYGHGPHKM-UHFFFAOYSA-N 0 0 416.502 5.201 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC000010315110 569343483 /nfs/dbraw/zinc/34/34/83/569343483.db2.gz YUNYKHNCHBDZDR-UHFFFAOYSA-N 0 0 422.550 5.173 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3Cl)c2C)cc1 ZINC000010315125 569343528 /nfs/dbraw/zinc/34/35/28/569343528.db2.gz UTLGIHYLJSZZFD-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1Cl ZINC000010315163 569343619 /nfs/dbraw/zinc/34/36/19/569343619.db2.gz MRIMOXQDMUTWKZ-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2C)cc1 ZINC000010315210 560767683 /nfs/dbraw/zinc/76/76/83/560767683.db2.gz UVSUIQGJOHLHBV-UHFFFAOYSA-N 0 0 422.550 5.480 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000010315271 569343632 /nfs/dbraw/zinc/34/36/32/569343632.db2.gz REXUYPCEMITRKW-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC000010315284 560767687 /nfs/dbraw/zinc/76/76/87/560767687.db2.gz OGIYRXJUGILSSP-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1OC ZINC000010324248 569343671 /nfs/dbraw/zinc/34/36/71/569343671.db2.gz XPXABYMTJFQHHS-UHFFFAOYSA-N 0 0 417.505 5.485 40 0 HKABRN CC(C)(C)c1ccc(CCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000010325277 560768137 /nfs/dbraw/zinc/76/81/37/560768137.db2.gz KCDHGMVMUHBLEP-UHFFFAOYSA-N 0 0 424.437 6.273 40 0 HKABRN Cc1cc(I)ccc1NC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000010325741 557860141 /nfs/dbraw/zinc/86/01/41/557860141.db2.gz LJWBSUFJKRPFCV-UHFFFAOYSA-N 0 0 421.322 5.468 40 0 HKABRN CC(C)(C)c1ccc(CCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000010325787 569343679 /nfs/dbraw/zinc/34/36/79/569343679.db2.gz PALDQONBSYJHSA-UHFFFAOYSA-N 0 0 403.591 6.848 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000010326125 560768142 /nfs/dbraw/zinc/76/81/42/560768142.db2.gz UFTFLDGVGORMHB-UHFFFAOYSA-N 0 0 417.618 7.156 40 0 HKABRN Cc1cc(NC(=O)c2ccccc2SCc2ccccc2)ccc1Br ZINC000010327903 557860371 /nfs/dbraw/zinc/86/03/71/557860371.db2.gz NUHZNENEFUSZOG-UHFFFAOYSA-N 0 0 412.352 6.302 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C(C)C)c2)cc1 ZINC000010328081 569343738 /nfs/dbraw/zinc/34/37/38/569343738.db2.gz HCRMRICAXQHDIE-UHFFFAOYSA-N 0 0 408.523 5.172 40 0 HKABRN CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000010328100 569343704 /nfs/dbraw/zinc/34/37/04/569343704.db2.gz VISHMAIXWABSSF-UHFFFAOYSA-N 0 0 414.549 5.485 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010328256 557860415 /nfs/dbraw/zinc/86/04/15/557860415.db2.gz YNUOVRJEEKEABC-UHFFFAOYSA-N 0 0 422.550 5.227 40 0 HKABRN Cc1ccccc1OCC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000010328473 569343789 /nfs/dbraw/zinc/34/37/89/569343789.db2.gz KJBVGLPFSNCODI-UHFFFAOYSA-N 0 0 401.506 5.541 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010328522 560768180 /nfs/dbraw/zinc/76/81/80/560768180.db2.gz ADKSMKOWDOODQX-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN Cc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1NS(=O)(=O)c1ccccc1 ZINC000010328710 569343824 /nfs/dbraw/zinc/34/38/24/569343824.db2.gz XMTIEJSHAHVWSZ-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000010328724 569343778 /nfs/dbraw/zinc/34/37/78/569343778.db2.gz VYTFLMCMNYFNKP-UHFFFAOYSA-N 0 0 422.550 5.480 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1NS(=O)(=O)c1ccccc1 ZINC000010328809 557860443 /nfs/dbraw/zinc/86/04/43/557860443.db2.gz FKBWOCQHQNSKMY-UHFFFAOYSA-N 0 0 416.502 5.201 40 0 HKABRN CC(C)c1ccc(CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000010328930 560768145 /nfs/dbraw/zinc/76/81/45/560768145.db2.gz RPLNRRMTSVSAGO-UHFFFAOYSA-N 0 0 405.925 6.266 40 0 HKABRN O=C(Nc1ccc(Cl)cc1Cl)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010329162 557860449 /nfs/dbraw/zinc/86/04/49/557860449.db2.gz VXZNAHXCYRPPTC-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN Cc1ccc(C(=O)Nc2cccc3ccccc32)cc1NS(=O)(=O)c1ccccc1 ZINC000010329643 557860397 /nfs/dbraw/zinc/86/03/97/557860397.db2.gz KTWDOAPGEHQIIT-UHFFFAOYSA-N 0 0 416.502 5.201 40 0 HKABRN CCCCc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1 ZINC000010330656 557860643 /nfs/dbraw/zinc/86/06/43/557860643.db2.gz LHCZQGPBVMUICR-UHFFFAOYSA-N 0 0 422.550 5.391 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)cc1 ZINC000010330911 557860672 /nfs/dbraw/zinc/86/06/72/557860672.db2.gz OQJHWIGKMLOCBI-UHFFFAOYSA-N 0 0 421.924 5.886 40 0 HKABRN CC(C)c1ccc(CCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000010331263 569343777 /nfs/dbraw/zinc/34/37/77/569343777.db2.gz LLJLXPMJVPHGMU-UHFFFAOYSA-N 0 0 410.410 6.099 40 0 HKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 ZINC000010331433 569343869 /nfs/dbraw/zinc/34/38/69/569343869.db2.gz JCGYILZWXCZYBZ-GOSISDBHSA-N 0 0 418.562 5.760 40 0 HKABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 ZINC000010331439 569343873 /nfs/dbraw/zinc/34/38/73/569343873.db2.gz JCGYILZWXCZYBZ-SFHVURJKSA-N 0 0 418.562 5.760 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000010331616 569343847 /nfs/dbraw/zinc/34/38/47/569343847.db2.gz VYSBWJQGZYRPQR-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1NS(=O)(=O)c1ccccc1 ZINC000010332043 569343886 /nfs/dbraw/zinc/34/38/86/569343886.db2.gz UCAVYFHTFGLSID-UHFFFAOYSA-N 0 0 422.550 5.480 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)cc1 ZINC000010332952 569343859 /nfs/dbraw/zinc/34/38/59/569343859.db2.gz MBGNALVGNFSCAD-UHFFFAOYSA-N 0 0 422.550 5.480 40 0 HKABRN CC(C)(C)c1ccc(CCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000010332959 569343870 /nfs/dbraw/zinc/34/38/70/569343870.db2.gz GVKMSSIOUOTSFS-UHFFFAOYSA-N 0 0 424.437 6.273 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2C)cc1 ZINC000010332989 569343855 /nfs/dbraw/zinc/34/38/55/569343855.db2.gz AKMXKSLBOPOAIJ-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000010332999 560767691 /nfs/dbraw/zinc/76/76/91/560767691.db2.gz JLKLLJPHRJXSAV-UHFFFAOYSA-N 0 0 413.561 6.765 40 0 HKABRN CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 ZINC000010333205 560767676 /nfs/dbraw/zinc/76/76/76/560767676.db2.gz MERXDZKIVWIPEA-UHFFFAOYSA-N 0 0 418.562 5.761 40 0 HKABRN CCc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000010333280 569343920 /nfs/dbraw/zinc/34/39/20/569343920.db2.gz QOAAWKBFVQDHBY-IBGZPJMESA-N 0 0 400.522 5.311 40 0 HKABRN CCc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000010333285 569343950 /nfs/dbraw/zinc/34/39/50/569343950.db2.gz QOAAWKBFVQDHBY-LJQANCHMSA-N 0 0 400.522 5.311 40 0 HKABRN CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000010333380 569343930 /nfs/dbraw/zinc/34/39/30/569343930.db2.gz MFKMVLOONLLLHW-UHFFFAOYSA-N 0 0 406.570 5.572 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010333401 560767709 /nfs/dbraw/zinc/76/77/09/560767709.db2.gz HJXABKCVRPTVJD-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN O=C(c1ccccc1SCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000010334023 569343929 /nfs/dbraw/zinc/34/39/29/569343929.db2.gz MOHVXVNKPJSJOG-UHFFFAOYSA-N 0 0 423.581 6.822 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cc3)c2C)cc1 ZINC000010334290 557860859 /nfs/dbraw/zinc/86/08/59/557860859.db2.gz CBMVLVPTBCBJMV-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010334631 557860869 /nfs/dbraw/zinc/86/08/69/557860869.db2.gz YAOFDTIZWLRFEV-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN Cc1ccc(SCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000010335076 557861167 /nfs/dbraw/zinc/86/11/67/557861167.db2.gz QSCQEOWAGGNQEJ-UHFFFAOYSA-N 0 0 417.574 6.254 40 0 HKABRN CC(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000010335833 569343966 /nfs/dbraw/zinc/34/39/66/569343966.db2.gz GFFHXUNOFKIMOX-UHFFFAOYSA-N 0 0 414.549 5.354 40 0 HKABRN CCOC(=O)c1c(NC(=O)CCc2ccc(C(C)(C)C)cc2)sc2c1CCCC2 ZINC000010336097 560767725 /nfs/dbraw/zinc/76/77/25/560767725.db2.gz GFJPPQWJXQQIJH-UHFFFAOYSA-N 0 0 413.583 5.672 40 0 HKABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 ZINC000010336155 569343964 /nfs/dbraw/zinc/34/39/64/569343964.db2.gz BQEYAJLNSLUGKS-UHFFFAOYSA-N 0 0 418.562 5.760 40 0 HKABRN Cc1cc(I)ccc1NC(=O)CCc1ccc(C(C)C)cc1 ZINC000010336199 560767737 /nfs/dbraw/zinc/76/77/37/560767737.db2.gz VNOSWQPIVAZTOO-UHFFFAOYSA-N 0 0 407.295 5.294 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CSc3ccccc3)c2)cc1 ZINC000010336208 557861134 /nfs/dbraw/zinc/86/11/34/557861134.db2.gz SYEBIUZUJHHVOB-UHFFFAOYSA-N 0 0 403.547 5.946 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2SCc2ccccc2)c1 ZINC000010337168 560767750 /nfs/dbraw/zinc/76/77/50/560767750.db2.gz DKLWPKAUKBPCLR-UHFFFAOYSA-N 0 0 411.910 5.671 40 0 HKABRN O=C(Nc1ccccc1Oc1ccccc1)c1ccccc1SCc1ccccc1 ZINC000010337620 557861378 /nfs/dbraw/zinc/86/13/78/557861378.db2.gz ROWOOTZXUPVBKS-UHFFFAOYSA-N 0 0 411.526 7.024 40 0 HKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1SCc1ccccc1 ZINC000010337761 560767759 /nfs/dbraw/zinc/76/77/59/560767759.db2.gz IJHLCXMZNNDXFP-UHFFFAOYSA-N 0 0 422.764 7.191 40 0 HKABRN O=C(NCc1ccc(Cl)cc1Cl)c1ccccc1SCc1ccccc1 ZINC000010338034 560767867 /nfs/dbraw/zinc/76/78/67/560767867.db2.gz VJLOVWFIJBHXSR-UHFFFAOYSA-N 0 0 402.346 6.216 40 0 HKABRN Cc1ccc(CSCCNC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000010338305 560767976 /nfs/dbraw/zinc/76/79/76/560767976.db2.gz DVEPTDAHYYRXGV-UHFFFAOYSA-N 0 0 407.604 5.951 40 0 HKABRN CC(C)c1ccc(CCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000010338342 560767932 /nfs/dbraw/zinc/76/79/32/560767932.db2.gz CFZXZAOHVIIMRE-UHFFFAOYSA-N 0 0 410.410 6.099 40 0 HKABRN CC(C)NC(=O)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 ZINC000010338486 569343967 /nfs/dbraw/zinc/34/39/67/569343967.db2.gz CEPLNTLNSULJLV-UHFFFAOYSA-N 0 0 404.535 5.369 40 0 HKABRN CC(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000010338499 569343962 /nfs/dbraw/zinc/34/39/62/569343962.db2.gz JMPMAOOEIOLVHT-FQEVSTJZSA-N 0 0 414.549 5.872 40 0 HKABRN CC(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000010338501 569344008 /nfs/dbraw/zinc/34/40/08/569344008.db2.gz JMPMAOOEIOLVHT-HXUWFJFHSA-N 0 0 414.549 5.872 40 0 HKABRN CC(C)(C)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000010338524 569343998 /nfs/dbraw/zinc/34/39/98/569343998.db2.gz CVLSIWSKJQAQQY-UHFFFAOYSA-N 0 0 407.941 7.001 40 0 HKABRN CC(=O)c1c(OCC(=O)c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1 ZINC000010339472 560768463 /nfs/dbraw/zinc/76/84/63/560768463.db2.gz XDVBIFCSTQNKOY-UHFFFAOYSA-N 0 0 415.876 6.020 40 0 HKABRN CC(=O)c1c(OC(=O)c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1 ZINC000010339474 560768513 /nfs/dbraw/zinc/76/85/13/560768513.db2.gz DDWQCSFEFCQBHC-UHFFFAOYSA-N 0 0 401.849 5.977 40 0 HKABRN CCCCCN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2c2ccccc2)C1=O ZINC000010342420 560768489 /nfs/dbraw/zinc/76/84/89/560768489.db2.gz YPMFIAPJFSJZLS-AREMUKBSSA-N 0 0 411.505 5.149 40 0 HKABRN CCCCCN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2c2ccccc2)C1=O ZINC000010342421 560768496 /nfs/dbraw/zinc/76/84/96/560768496.db2.gz YPMFIAPJFSJZLS-SANMLTNESA-N 0 0 411.505 5.149 40 0 HKABRN CC(C)c1ccc(CCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000010356866 560768470 /nfs/dbraw/zinc/76/84/70/560768470.db2.gz YJTPOCHVSFJMBI-UHFFFAOYSA-N 0 0 404.476 5.110 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C)cc1 ZINC000010357213 569344017 /nfs/dbraw/zinc/34/40/17/569344017.db2.gz APHDUATYYPBOHF-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1cccc(C(C)C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000010357379 569344074 /nfs/dbraw/zinc/34/40/74/569344074.db2.gz WIYQBCDKKLFGGE-UHFFFAOYSA-N 0 0 422.550 5.480 40 0 HKABRN CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000010357421 569344073 /nfs/dbraw/zinc/34/40/73/569344073.db2.gz KAUQFIFCUNFXEK-UHFFFAOYSA-N 0 0 406.570 5.618 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3c(C)cc(C)cc3C)c2C)cc1 ZINC000010357508 569344050 /nfs/dbraw/zinc/34/40/50/569344050.db2.gz LUKPQRKCRKKMGU-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN CC(C)CNC(=O)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 ZINC000010357687 569344067 /nfs/dbraw/zinc/34/40/67/569344067.db2.gz YJMOWQHIYZYJGG-UHFFFAOYSA-N 0 0 418.562 5.617 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3Cl)cc2C)cc1 ZINC000010357909 569344047 /nfs/dbraw/zinc/34/40/47/569344047.db2.gz LLKRCUUNKVWVBT-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(C)C ZINC000010358729 569344015 /nfs/dbraw/zinc/34/40/15/569344015.db2.gz BFFNQPHKGFMHTK-UHFFFAOYSA-N 0 0 408.523 5.172 40 0 HKABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 ZINC000010359332 569344030 /nfs/dbraw/zinc/34/40/30/569344030.db2.gz WSNNHDXULTUODA-UHFFFAOYSA-N 0 0 418.562 5.713 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cccc(Cl)c3)ccc2C)cc1 ZINC000010359575 569344028 /nfs/dbraw/zinc/34/40/28/569344028.db2.gz YQSXTDUCXRLATE-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(Cl)c3)c2C)cc1 ZINC000010359877 569344095 /nfs/dbraw/zinc/34/40/95/569344095.db2.gz CWLZXSNJSCBBCJ-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCCNC(=O)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 ZINC000010359964 569344105 /nfs/dbraw/zinc/34/41/05/569344105.db2.gz KDRCLXYQOBPREC-UHFFFAOYSA-N 0 0 404.535 5.371 40 0 HKABRN Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1NS(=O)(=O)c1ccccc1 ZINC000010360279 569344116 /nfs/dbraw/zinc/34/41/16/569344116.db2.gz SUANNLUNIBWFAX-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000010362612 569344112 /nfs/dbraw/zinc/34/41/12/569344112.db2.gz CKABYIQMAVPXMM-UHFFFAOYSA-N 0 0 422.550 5.391 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000010362709 569344139 /nfs/dbraw/zinc/34/41/39/569344139.db2.gz PQONDVQGUZUDNO-UHFFFAOYSA-N 0 0 408.523 5.172 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)cc1 ZINC000010363562 569344173 /nfs/dbraw/zinc/34/41/73/569344173.db2.gz GJAMFOWKTAKZRF-UHFFFAOYSA-N 0 0 422.550 5.480 40 0 HKABRN CC(C)(C)c1ccc(CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000010363793 560768474 /nfs/dbraw/zinc/76/84/74/560768474.db2.gz RHBAVDRRPNQLBN-UHFFFAOYSA-N 0 0 419.952 6.440 40 0 HKABRN COc1ccccc1OCC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000010364289 569344158 /nfs/dbraw/zinc/34/41/58/569344158.db2.gz IDTBNXXYIKAPNN-UHFFFAOYSA-N 0 0 417.505 5.241 40 0 HKABRN Cc1ccccc1CSCCNC(=O)c1ccccc1SCc1ccccc1 ZINC000010365015 569344191 /nfs/dbraw/zinc/34/41/91/569344191.db2.gz JTYLVCCPCCCXFG-UHFFFAOYSA-N 0 0 407.604 5.951 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1Cl ZINC000010366875 569344168 /nfs/dbraw/zinc/34/41/68/569344168.db2.gz ZTYPMGDWGBMOFS-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CC(C)(C)c1ccc(CCC(=O)NCCSCc2c(F)cccc2Cl)cc1 ZINC000010367312 560818713 /nfs/dbraw/zinc/81/87/13/560818713.db2.gz FEVAODKWAVYSSV-UHFFFAOYSA-N 0 0 407.982 5.759 40 0 HKABRN CC(C)(C)c1ccc(CCC(=O)Nc2ccc(I)cc2)cc1 ZINC000010369006 560768589 /nfs/dbraw/zinc/76/85/89/560768589.db2.gz QMIQXHQJQPUMMG-UHFFFAOYSA-N 0 0 407.295 5.160 40 0 HKABRN CC(C)(C)c1ccc(CCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000010369935 569344256 /nfs/dbraw/zinc/34/42/56/569344256.db2.gz SDRONCXIWDVEHV-UHFFFAOYSA-N 0 0 424.437 6.273 40 0 HKABRN O=C(NCCSc1ccc(Cl)cc1)c1ccccc1SCc1ccccc1 ZINC000010370016 569344239 /nfs/dbraw/zinc/34/42/39/569344239.db2.gz QGXMYHZTUMBKOX-UHFFFAOYSA-N 0 0 413.995 6.154 40 0 HKABRN COC(=O)c1cc(NC(=O)c2ccccc2SCc2ccccc2)ccc1Cl ZINC000010370108 569344276 /nfs/dbraw/zinc/34/42/76/569344276.db2.gz BBKGHPZTPBRHQX-UHFFFAOYSA-N 0 0 411.910 5.671 40 0 HKABRN Cc1cc(C(=O)Nc2ccc3ccccc3c2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010370336 569344266 /nfs/dbraw/zinc/34/42/66/569344266.db2.gz TXYCHYPTMQHPIN-UHFFFAOYSA-N 0 0 416.502 5.201 40 0 HKABRN O=C(Nc1c(Cl)cccc1Cl)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010370409 569344244 /nfs/dbraw/zinc/34/42/44/569344244.db2.gz AYXMGHATLPIFCX-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN Cc1cc(C(=O)Nc2ccccc2C(C)C)ccc1NS(=O)(=O)c1ccccc1 ZINC000010370955 569344304 /nfs/dbraw/zinc/34/43/04/569344304.db2.gz HFTSBPKNJKVKPF-UHFFFAOYSA-N 0 0 408.523 5.172 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000010371655 569344302 /nfs/dbraw/zinc/34/43/02/569344302.db2.gz AFAULEJOUKYVKN-UHFFFAOYSA-N 0 0 422.550 5.173 40 0 HKABRN COc1ccc(OCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000010371685 569344295 /nfs/dbraw/zinc/34/42/95/569344295.db2.gz WSJDKPUPIDAQNG-UHFFFAOYSA-N 0 0 417.505 5.241 40 0 HKABRN CC(C)(C)c1ccc(CCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000010372354 569344298 /nfs/dbraw/zinc/34/42/98/569344298.db2.gz HKHJGLGUFWROSN-UHFFFAOYSA-N 0 0 418.503 5.284 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1(c2ccccc2)CCCC1 ZINC000010372775 132345929 /nfs/dbraw/zinc/34/59/29/132345929.db2.gz XNZQZYZPVQXFTP-UHFFFAOYSA-N 0 0 416.487 6.146 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)C1(c2ccccc2)CCCC1 ZINC000010372778 557861845 /nfs/dbraw/zinc/86/18/45/557861845.db2.gz LKFYFMFKKWCTAA-UHFFFAOYSA-N 0 0 402.460 5.756 40 0 HKABRN COc1ccc(-c2nc3cc(NC(=O)C4(c5ccccc5)CCCC4)ccc3o2)cc1 ZINC000010372783 557861866 /nfs/dbraw/zinc/86/18/66/557861866.db2.gz VRTPYGIRSNUGHV-UHFFFAOYSA-N 0 0 412.489 5.954 40 0 HKABRN Cc1ccc2oc(-c3ccc(CNC(=O)C4(c5ccccc5)CCCC4)cc3)nc2c1 ZINC000010372817 557861853 /nfs/dbraw/zinc/86/18/53/557861853.db2.gz KZEGPCFLLYHBDM-UHFFFAOYSA-N 0 0 410.517 5.931 40 0 HKABRN Cc1ccc2nc(-c3ccc(CNC(=O)C4(c5ccccc5)CCCC4)cc3)oc2c1 ZINC000010372820 557861869 /nfs/dbraw/zinc/86/18/69/557861869.db2.gz FULQDCRVIJBDFR-UHFFFAOYSA-N 0 0 410.517 5.931 40 0 HKABRN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000010372823 557861848 /nfs/dbraw/zinc/86/18/48/557861848.db2.gz IHOUQGKHWCPUAB-UHFFFAOYSA-N 0 0 412.489 5.954 40 0 HKABRN Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)cc(-c2nc3ccccc3o2)c1O ZINC000010372830 557861891 /nfs/dbraw/zinc/86/18/91/557861891.db2.gz AJFBBTINYXMXNH-UHFFFAOYSA-N 0 0 412.489 5.959 40 0 HKABRN Cc1cc(C)nc(Nc2ncc(-c3ccc4ccccc4c3)n2-c2ccc(C)c(C)c2)n1 ZINC000010381840 557861870 /nfs/dbraw/zinc/86/18/70/557861870.db2.gz GDLAMCCOQYATTI-UHFFFAOYSA-N 0 0 419.532 6.460 40 0 HKABRN Cc1cc(C)nc(Nc2ncc(-c3ccc4ccccc4c3)n2-c2ccc(F)cc2)n1 ZINC000010381852 557861895 /nfs/dbraw/zinc/86/18/95/557861895.db2.gz IQEQZSNDSIYWRQ-UHFFFAOYSA-N 0 0 409.468 5.982 40 0 HKABRN O=C(CN1CCC(Cc2ccccc2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000010381989 560768556 /nfs/dbraw/zinc/76/85/56/560768556.db2.gz QHNOPUCQKNNLKR-UHFFFAOYSA-N 0 0 414.574 5.771 40 0 HKABRN CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC000010433888 569344389 /nfs/dbraw/zinc/34/43/89/569344389.db2.gz PMCXMVCOTAQSKB-UHFFFAOYSA-N 0 0 404.510 5.078 40 0 HKABRN CC(C)c1ccc(CCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000010433909 569344323 /nfs/dbraw/zinc/34/43/23/569344323.db2.gz QFTFTBUHONOOHZ-UHFFFAOYSA-N 0 0 410.410 6.099 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000010434029 569344399 /nfs/dbraw/zinc/34/43/99/569344399.db2.gz PGJKCJNCSVDQGA-UHFFFAOYSA-N 0 0 419.546 6.188 40 0 HKABRN Cc1cccc(CSCCNC(=O)c2ccccc2SCc2ccccc2)c1 ZINC000010434217 557862084 /nfs/dbraw/zinc/86/20/84/557862084.db2.gz VIQDNGVGHGRKRC-UHFFFAOYSA-N 0 0 407.604 5.951 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)CCc1ccc(C(C)C)cc1 ZINC000010434287 569344408 /nfs/dbraw/zinc/34/44/08/569344408.db2.gz JQCBZTHXYYBSKM-UHFFFAOYSA-N 0 0 403.591 6.982 40 0 HKABRN CC(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000010434303 569344379 /nfs/dbraw/zinc/34/43/79/569344379.db2.gz YGASOSVVFFUNRW-UHFFFAOYSA-N 0 0 400.522 5.311 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1 ZINC000010440869 560769198 /nfs/dbraw/zinc/76/91/98/560769198.db2.gz LTJJAEKQJBFBHF-UHFFFAOYSA-N 0 0 405.519 5.716 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1C ZINC000010442187 557862279 /nfs/dbraw/zinc/86/22/79/557862279.db2.gz BXCVEHAIXJOYFA-LTGZKZEYSA-N 0 0 419.908 6.004 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c1C ZINC000010442193 560769357 /nfs/dbraw/zinc/76/93/57/560769357.db2.gz PQSUIODCILQKOP-HAVVHWLPSA-N 0 0 415.489 5.360 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)CSCc2c(Cl)cccc2Cl)c1C ZINC000010442269 560769364 /nfs/dbraw/zinc/76/93/64/560769364.db2.gz BUMKRVFCXBVRDV-UHFFFAOYSA-N 0 0 412.338 5.350 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1C ZINC000010442315 560769340 /nfs/dbraw/zinc/76/93/40/560769340.db2.gz NULIPFBHLJJGHR-UHFFFAOYSA-N 0 0 419.546 6.025 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c1 ZINC000010444174 560769370 /nfs/dbraw/zinc/76/93/70/560769370.db2.gz NLFRNHKVLZDDBT-XQNSMLJCSA-N 0 0 415.489 5.360 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccccc2SCc2ccccc2)c1 ZINC000010445746 560769446 /nfs/dbraw/zinc/76/94/46/560769446.db2.gz QFMUZWCYFGPLRK-UHFFFAOYSA-N 0 0 405.519 5.716 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)c(C)c1 ZINC000010446258 560769436 /nfs/dbraw/zinc/76/94/36/560769436.db2.gz KZWJJFSQESXESM-UHFFFAOYSA-N 0 0 405.519 5.716 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c(C)c1 ZINC000010446321 560769438 /nfs/dbraw/zinc/76/94/38/560769438.db2.gz VHMAWTOPPSPART-LTGZKZEYSA-N 0 0 419.908 6.004 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c(C)c1 ZINC000010446325 557862311 /nfs/dbraw/zinc/86/23/11/557862311.db2.gz UGKNBFKZVVOPFG-HAVVHWLPSA-N 0 0 415.489 5.360 40 0 HKABRN CCOc1ccc(CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000010448474 560769016 /nfs/dbraw/zinc/76/90/16/560769016.db2.gz FGZKYMMIHXIEHQ-UHFFFAOYSA-N 0 0 411.954 5.961 40 0 HKABRN C[C@H](NC(=O)c1ccccc1NC(=O)CCc1ccccc1Cl)c1ccccc1 ZINC000010457957 558257609 /nfs/dbraw/zinc/25/76/09/558257609.db2.gz XCVQSBLKTARSMU-KRWDZBQOSA-N 0 0 406.913 5.402 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)CCc1ccccc1Cl)c1ccccc1 ZINC000010457962 558257583 /nfs/dbraw/zinc/25/75/83/558257583.db2.gz XCVQSBLKTARSMU-QGZVFWFLSA-N 0 0 406.913 5.402 40 0 HKABRN Brc1ccc(Cc2nnc(SCc3cccc4ccccc43)o2)cc1 ZINC000010475621 560829908 /nfs/dbraw/zinc/82/99/08/560829908.db2.gz GQDPLPQNAJJVPV-UHFFFAOYSA-N 0 0 411.324 5.868 40 0 HKABRN O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Cl)cc1Cl ZINC000010542692 560770169 /nfs/dbraw/zinc/77/01/69/560770169.db2.gz NAGVMELWMRVHBM-UHFFFAOYSA-N 0 0 404.268 5.642 40 0 HKABRN O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Br)cc1 ZINC000010542695 560770143 /nfs/dbraw/zinc/77/01/43/560770143.db2.gz PLZAHIHAWKNAAE-UHFFFAOYSA-N 0 0 414.274 5.097 40 0 HKABRN O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1Br ZINC000010542712 560770136 /nfs/dbraw/zinc/77/01/36/560770136.db2.gz ASWOEDATXJXTRO-UHFFFAOYSA-N 0 0 414.274 5.097 40 0 HKABRN O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000010542804 558258955 /nfs/dbraw/zinc/25/89/55/558258955.db2.gz NNEXAICPDNOHTQ-UHFFFAOYSA-N 0 0 422.764 7.191 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1OC ZINC000010542813 560770215 /nfs/dbraw/zinc/77/02/15/560770215.db2.gz QIODIRGDVGHGOV-UHFFFAOYSA-N 0 0 413.926 5.902 40 0 HKABRN COc1cc(OC)cc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)c1 ZINC000010542822 560770243 /nfs/dbraw/zinc/77/02/43/560770243.db2.gz IDTGIMIKVYGEQB-UHFFFAOYSA-N 0 0 413.926 5.902 40 0 HKABRN O=C(CCSCc1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000010613233 558259459 /nfs/dbraw/zinc/25/94/59/558259459.db2.gz QVNBWYNDZJRSQR-UHFFFAOYSA-N 0 0 409.938 5.833 40 0 HKABRN O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1cccc(Cl)c1Cl ZINC000010674572 558259643 /nfs/dbraw/zinc/25/96/43/558259643.db2.gz XPSPZXGHLGOUQE-UHFFFAOYSA-N 0 0 414.701 5.428 40 0 HKABRN CC(C)Oc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 ZINC000010715437 558260298 /nfs/dbraw/zinc/26/02/98/558260298.db2.gz SJXWXCSILHCSJK-UHFFFAOYSA-N 0 0 414.299 5.407 40 0 HKABRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000010729324 560770647 /nfs/dbraw/zinc/77/06/47/560770647.db2.gz ZIRYOYJEKIWWPN-CYBMUJFWSA-N 0 0 424.324 5.067 40 0 HKABRN CCc1cccc(CC)c1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000010729326 560770642 /nfs/dbraw/zinc/77/06/42/560770642.db2.gz ZIRYOYJEKIWWPN-ZDUSSCGKSA-N 0 0 424.324 5.067 40 0 HKABRN Cc1ccc(OCCSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1 ZINC000010730535 569344508 /nfs/dbraw/zinc/34/45/08/569344508.db2.gz KUNXUPFHAKFFRU-UHFFFAOYSA-N 0 0 402.523 5.117 40 0 HKABRN COc1cc(NC(=O)CSCc2ccc(Cl)cc2Cl)c(OC)cc1Cl ZINC000010948164 558261613 /nfs/dbraw/zinc/26/16/13/558261613.db2.gz ZKGXQXXHMDKNMN-UHFFFAOYSA-N 0 0 420.745 5.536 40 0 HKABRN COc1cc(NC(=O)CSCc2c(F)cccc2Cl)c(OC)cc1Cl ZINC000010948293 569344483 /nfs/dbraw/zinc/34/44/83/569344483.db2.gz ZTFNBEBMMAFWJI-UHFFFAOYSA-N 0 0 404.290 5.022 40 0 HKABRN COc1cc(NC(=O)CSCc2c(Cl)cccc2Cl)c(OC)cc1Cl ZINC000010949598 569344484 /nfs/dbraw/zinc/34/44/84/569344484.db2.gz BGXGYBZKMNKVBE-UHFFFAOYSA-N 0 0 420.745 5.536 40 0 HKABRN COc1cc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c(OC)cc1Cl ZINC000011035182 558262155 /nfs/dbraw/zinc/26/21/55/558262155.db2.gz QFUXCUFMALPIJO-UHFFFAOYSA-N 0 0 420.745 5.536 40 0 HKABRN Clc1ccccc1OCCSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000011308506 569344555 /nfs/dbraw/zinc/34/45/55/569344555.db2.gz NLPZXYGVGLSTOM-UHFFFAOYSA-N 0 0 408.914 5.154 40 0 HKABRN Cn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccccc1 ZINC000011312186 560771877 /nfs/dbraw/zinc/77/18/77/560771877.db2.gz QYOXCNLXFDKBMM-UHFFFAOYSA-N 0 0 412.603 5.068 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000011328307 558263631 /nfs/dbraw/zinc/26/36/31/558263631.db2.gz XTTRZCRUGCNZRL-UHFFFAOYSA-N 0 0 410.445 5.009 40 0 HKABRN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(Br)cc1F ZINC000011375279 558263792 /nfs/dbraw/zinc/26/37/92/558263792.db2.gz BAADSCJTTYWSAE-UHFFFAOYSA-N 0 0 423.669 5.468 40 0 HKABRN O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000011461688 558263894 /nfs/dbraw/zinc/26/38/94/558263894.db2.gz SOSKMFRETKCAQR-UHFFFAOYSA-N 0 0 412.770 5.724 40 0 HKABRN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NC(c1ccccc1)c1ccccc1 ZINC000011463470 558263855 /nfs/dbraw/zinc/26/38/55/558263855.db2.gz UASCROIZFTUNEC-UHFFFAOYSA-N 0 0 416.908 5.833 40 0 HKABRN O=C(CCc1ncc(-c2ccc(F)cc2)o1)NC(c1ccccc1)c1ccccc1 ZINC000011463479 558263797 /nfs/dbraw/zinc/26/37/97/558263797.db2.gz KYIOOSZCBWBSOQ-UHFFFAOYSA-N 0 0 400.453 5.319 40 0 HKABRN O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccccc1Oc1ccccc1 ZINC000011475307 558264097 /nfs/dbraw/zinc/26/40/97/558264097.db2.gz GFLCLTORDCTGQW-UHFFFAOYSA-N 0 0 402.425 5.844 40 0 HKABRN COc1ccc(-c2noc(CCC(=O)Nc3ccccc3Oc3ccccc3)n2)cc1 ZINC000011475448 558264062 /nfs/dbraw/zinc/26/40/62/558264062.db2.gz XUDUXJHLBNQXJX-UHFFFAOYSA-N 0 0 415.449 5.109 40 0 HKABRN COc1ccccc1Oc1ccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1 ZINC000011514736 569344553 /nfs/dbraw/zinc/34/45/53/569344553.db2.gz STSMJDNZBZFRBD-UHFFFAOYSA-N 0 0 413.857 5.410 40 0 HKABRN Cc1ccc2cc(S(=O)(=O)Oc3ccc(OCc4ccccc4)cc3)ccc2c1 ZINC000011613888 558264612 /nfs/dbraw/zinc/26/46/12/558264612.db2.gz AHBFBILYHLHVAD-UHFFFAOYSA-N 0 0 404.487 5.495 40 0 HKABRN CCCCOc1ccc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)cc1 ZINC000011613890 558264533 /nfs/dbraw/zinc/26/45/33/558264533.db2.gz QOMPMXPQYIVZBD-UHFFFAOYSA-N 0 0 412.507 5.212 40 0 HKABRN CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C ZINC000011616089 558264822 /nfs/dbraw/zinc/26/48/22/558264822.db2.gz XURCMZMFZXXQDJ-QBBPNXHKSA-N 0 0 414.586 5.580 40 0 HKABRN CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(C)c3ccccc32)c2ccccc12 ZINC000011635117 559118209 /nfs/dbraw/zinc/11/82/09/559118209.db2.gz TYRPRDLEHOLIMP-UHFFFAOYSA-N 0 0 405.475 5.028 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)sc2c1CCCC2 ZINC000011637222 558264743 /nfs/dbraw/zinc/26/47/43/558264743.db2.gz LZSWBQPKQNCGRF-GOSISDBHSA-N 0 0 415.555 5.217 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)sc2c1CCCC2 ZINC000011637223 558264820 /nfs/dbraw/zinc/26/48/20/558264820.db2.gz LZSWBQPKQNCGRF-SFHVURJKSA-N 0 0 415.555 5.217 40 0 HKABRN Cc1cc(OS(=O)(=O)c2ccc(C3CCCCC3)cc2)n(-c2ccc(C)cc2)n1 ZINC000011691496 559182225 /nfs/dbraw/zinc/18/22/25/559182225.db2.gz LWADTPDNVPXUKA-UHFFFAOYSA-N 0 0 410.539 5.305 40 0 HKABRN O=C(c1ccccc1Br)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000012021146 132470571 /nfs/dbraw/zinc/47/05/71/132470571.db2.gz BVNGMQSUPRHNHZ-UHFFFAOYSA-N 0 0 416.727 6.546 40 0 HKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000012063190 558317440 /nfs/dbraw/zinc/31/74/40/558317440.db2.gz QOPRMZGBTAKWAU-UHFFFAOYSA-N 0 0 422.120 5.927 40 0 HKABRN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)C(c1ccccc1)c1ccccc1 ZINC000012063232 558317508 /nfs/dbraw/zinc/31/75/08/558317508.db2.gz KKISUXGTVLKBFX-UHFFFAOYSA-N 0 0 413.329 6.374 40 0 HKABRN Cn1nc(C(F)(F)F)cc1[C@@H]1CCCCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012119635 558330232 /nfs/dbraw/zinc/33/02/32/558330232.db2.gz JVHLOVDJJILFJI-HQHQJUQOSA-N 0 0 409.496 5.099 40 0 HKABRN Cn1nc(C(F)(F)F)cc1[C@H]1CCCCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012119636 558330238 /nfs/dbraw/zinc/33/02/38/558330238.db2.gz JVHLOVDJJILFJI-JRQWYPPZSA-N 0 0 409.496 5.099 40 0 HKABRN Cn1cc(Cl)c([C@@H]2CCCCCN2C(=O)c2cc(-c3cccc(Cl)c3)on2)n1 ZINC000012133811 558333528 /nfs/dbraw/zinc/33/35/28/558333528.db2.gz ASNQZYUHKXVFOD-KRWDZBQOSA-N 0 0 419.312 5.139 40 0 HKABRN Cn1cc(Cl)c([C@H]2CCCCCN2C(=O)c2cc(-c3cccc(Cl)c3)on2)n1 ZINC000012133815 558333481 /nfs/dbraw/zinc/33/34/81/558333481.db2.gz ASNQZYUHKXVFOD-QGZVFWFLSA-N 0 0 419.312 5.139 40 0 HKABRN Cc1cc([C@@H]2CCCCCN2C(=O)c2c(C)onc2-c2c(F)cccc2Cl)on1 ZINC000012133888 558333545 /nfs/dbraw/zinc/33/35/45/558333545.db2.gz UGXYUEMMXWOARO-INIZCTEOSA-N 0 0 417.868 5.496 40 0 HKABRN Cc1cc([C@H]2CCCCCN2C(=O)c2c(C)onc2-c2c(F)cccc2Cl)on1 ZINC000012133892 558333504 /nfs/dbraw/zinc/33/35/04/558333504.db2.gz UGXYUEMMXWOARO-MRXNPFEDSA-N 0 0 417.868 5.496 40 0 HKABRN CCOc1ccc(N2C(=O)S/C(=C\c3cccc(Br)c3)C2=O)cc1 ZINC000012136839 558333824 /nfs/dbraw/zinc/33/38/24/558333824.db2.gz WXFTZALTDMJRMY-WJDWOHSUSA-N 0 0 404.285 5.089 40 0 HKABRN COc1ccc(C(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1 ZINC000012139210 558334590 /nfs/dbraw/zinc/33/45/90/558334590.db2.gz UFFWSJWQDXXJST-UHFFFAOYSA-N 0 0 405.928 5.456 40 0 HKABRN CCc1nc2sc(C(=O)Nc3ccc(Cl)cc3Cl)c(N)c2c2c1CCCC2 ZINC000012139491 558334553 /nfs/dbraw/zinc/33/45/53/558334553.db2.gz LJOPXWSXOUMQCU-UHFFFAOYSA-N 0 0 420.365 5.879 40 0 HKABRN COc1ccccc1C1(NC(=O)Cc2nc(C)sc2-c2ccccc2)CCCC1 ZINC000012143076 558335274 /nfs/dbraw/zinc/33/52/74/558335274.db2.gz ADEMXCOSHZGMKB-UHFFFAOYSA-N 0 0 406.551 5.255 40 0 HKABRN CC(=O)Nc1c(C)cc(C)c(NCc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)c1C ZINC000012144104 558335611 /nfs/dbraw/zinc/33/56/11/558335611.db2.gz ISDFRWSVRRTPGP-UHFFFAOYSA-N 0 0 409.917 5.191 40 0 HKABRN O=c1c(CN2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)no2)coc2ccccc12 ZINC000012154151 558339614 /nfs/dbraw/zinc/33/96/14/558339614.db2.gz ZEXACMRBEGIMJI-QFIPXVFZSA-N 0 0 418.468 5.704 40 0 HKABRN O=c1c(CN2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)no2)coc2ccccc12 ZINC000012154152 558339598 /nfs/dbraw/zinc/33/95/98/558339598.db2.gz ZEXACMRBEGIMJI-JOCHJYFZSA-N 0 0 418.468 5.704 40 0 HKABRN Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)c3csc(C)c3C)cc2)on1 ZINC000012159047 558341173 /nfs/dbraw/zinc/34/11/73/558341173.db2.gz BGOWYYGAFJKKBP-UHFFFAOYSA-N 0 0 418.522 5.024 40 0 HKABRN Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)[C@H]3CC=CCC3)cc2)on1 ZINC000012159097 558341385 /nfs/dbraw/zinc/34/13/85/558341385.db2.gz KQIUVVKRYIOLSR-FQEVSTJZSA-N 0 0 416.525 5.203 40 0 HKABRN Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)[C@@H]3CC=CCC3)cc2)on1 ZINC000012159099 558341409 /nfs/dbraw/zinc/34/14/09/558341409.db2.gz KQIUVVKRYIOLSR-HXUWFJFHSA-N 0 0 416.525 5.203 40 0 HKABRN O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1cc(Cl)ccc1Cl ZINC000012177564 560777728 /nfs/dbraw/zinc/77/77/28/560777728.db2.gz XBOUYLWQIVAAMB-UHFFFAOYSA-N 0 0 414.701 5.428 40 0 HKABRN O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ccc(Cl)cc1Cl ZINC000012177568 560777731 /nfs/dbraw/zinc/77/77/31/560777731.db2.gz MXJAEDJBRPOEMW-UHFFFAOYSA-N 0 0 414.701 5.428 40 0 HKABRN O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1cccc(Cl)c1Cl ZINC000012177708 560777737 /nfs/dbraw/zinc/77/77/37/560777737.db2.gz TXTBSPMQEGGTDO-UHFFFAOYSA-N 0 0 414.701 5.428 40 0 HKABRN O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ccccc1C(F)(F)F ZINC000012177716 558342661 /nfs/dbraw/zinc/34/26/61/558342661.db2.gz APFGNCXKTXHNOC-UHFFFAOYSA-N 0 0 413.808 5.140 40 0 HKABRN O=C(CSc1nnc(-c2ccccc2Cl)o1)c1ccc(Br)cc1 ZINC000012177786 558342754 /nfs/dbraw/zinc/34/27/54/558342754.db2.gz LOMJDJGLPUBCIN-UHFFFAOYSA-N 0 0 409.692 5.128 40 0 HKABRN O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccc(Cl)c(Cl)c1 ZINC000012178538 558342723 /nfs/dbraw/zinc/34/27/23/558342723.db2.gz IIZFDFVYLSEANR-UHFFFAOYSA-N 0 0 414.701 5.428 40 0 HKABRN O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1cc(Cl)ccc1Cl ZINC000012178540 558342658 /nfs/dbraw/zinc/34/26/58/558342658.db2.gz GVNIUCRXAZUDBX-UHFFFAOYSA-N 0 0 414.701 5.428 40 0 HKABRN O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccc(Cl)cc1Cl ZINC000012178544 558342713 /nfs/dbraw/zinc/34/27/13/558342713.db2.gz IIOCQPVPGJXUQN-UHFFFAOYSA-N 0 0 414.701 5.428 40 0 HKABRN O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1cccc(C(F)(F)F)c1 ZINC000012178618 558342765 /nfs/dbraw/zinc/34/27/65/558342765.db2.gz ZTEXYFNWWCRGEB-UHFFFAOYSA-N 0 0 413.808 5.140 40 0 HKABRN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cc(Cl)cc(Cl)c1 ZINC000012179179 558342737 /nfs/dbraw/zinc/34/27/37/558342737.db2.gz ONZXDUMSRRWXEY-UHFFFAOYSA-N 0 0 414.701 5.428 40 0 HKABRN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cc(Cl)ccc1Cl ZINC000012179181 560777734 /nfs/dbraw/zinc/77/77/34/560777734.db2.gz ZYEQQQUCESSJJT-UHFFFAOYSA-N 0 0 414.701 5.428 40 0 HKABRN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1Cl ZINC000012179183 560777758 /nfs/dbraw/zinc/77/77/58/560777758.db2.gz LWSBJVFIUDDROX-UHFFFAOYSA-N 0 0 414.701 5.428 40 0 HKABRN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cccc(Cl)c1Cl ZINC000012179234 560777751 /nfs/dbraw/zinc/77/77/51/560777751.db2.gz ZMHSODVNCHUDHO-UHFFFAOYSA-N 0 0 414.701 5.428 40 0 HKABRN Cc1cc(C)n(-c2ccc(C(=O)N3[C@@H]4CC[C@H]3CC(c3ccc(F)cc3)C4)cc2)n1 ZINC000012181181 558343036 /nfs/dbraw/zinc/34/30/36/558343036.db2.gz FPSAZKJBKHOTQZ-UEMOLPEBSA-N 0 0 403.501 5.179 40 0 HKABRN CCCC(=O)N1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000012181206 558342998 /nfs/dbraw/zinc/34/29/98/558342998.db2.gz AGCGPRQLXTUWCC-SQWLQELKSA-N 0 0 412.481 5.069 40 0 HKABRN CCCC(=O)N1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000012181208 558343024 /nfs/dbraw/zinc/34/30/24/558343024.db2.gz AGCGPRQLXTUWCC-OFQRWUPVSA-N 0 0 412.481 5.069 40 0 HKABRN Cc1cc(C(C)(C)C)oc1C(=O)N1CCC(C(=O)c2nc3ccccc3s2)CC1 ZINC000012183928 558344048 /nfs/dbraw/zinc/34/40/48/558344048.db2.gz OVIWVINWRJRQFJ-UHFFFAOYSA-N 0 0 410.539 5.230 40 0 HKABRN COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)c3cc(C(C)C)on3)no2)cc1 ZINC000012185335 558344735 /nfs/dbraw/zinc/34/47/35/558344735.db2.gz WMLWJYJKIXKDAD-FQEVSTJZSA-N 0 0 409.486 5.219 40 0 HKABRN COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)c3cc(C(C)C)on3)no2)cc1 ZINC000012185338 558344720 /nfs/dbraw/zinc/34/47/20/558344720.db2.gz WMLWJYJKIXKDAD-HXUWFJFHSA-N 0 0 409.486 5.219 40 0 HKABRN COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)Cc3cccc(OC)c3)no2)cc1 ZINC000012185490 558344705 /nfs/dbraw/zinc/34/47/05/558344705.db2.gz UDAQYKCFICARNJ-QHCPKHFHSA-N 0 0 420.509 5.045 40 0 HKABRN COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)Cc3cccc(OC)c3)no2)cc1 ZINC000012185494 558344884 /nfs/dbraw/zinc/34/48/84/558344884.db2.gz UDAQYKCFICARNJ-HSZRJFAPSA-N 0 0 420.509 5.045 40 0 HKABRN COc1ccc(CC(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)on2)cc1 ZINC000012185500 558344955 /nfs/dbraw/zinc/34/49/55/558344955.db2.gz SJMXUVFUPIPDMS-HSZRJFAPSA-N 0 0 420.509 5.045 40 0 HKABRN COc1ccc(CC(=O)N2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)on2)cc1 ZINC000012185503 558344972 /nfs/dbraw/zinc/34/49/72/558344972.db2.gz SJMXUVFUPIPDMS-QHCPKHFHSA-N 0 0 420.509 5.045 40 0 HKABRN COc1ccc(CC(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)cc1 ZINC000012185552 558345002 /nfs/dbraw/zinc/34/50/02/558345002.db2.gz DCNLXGSYYSAPFQ-JOCHJYFZSA-N 0 0 408.473 5.176 40 0 HKABRN COc1ccc(CC(=O)N2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)cc1 ZINC000012185556 558344930 /nfs/dbraw/zinc/34/49/30/558344930.db2.gz DCNLXGSYYSAPFQ-QFIPXVFZSA-N 0 0 408.473 5.176 40 0 HKABRN COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3cccc(O)c3)no2)cc1OC ZINC000012185657 558344853 /nfs/dbraw/zinc/34/48/53/558344853.db2.gz JAMAUBIGXZGQIT-NRFANRHFSA-N 0 0 408.498 5.182 40 0 HKABRN COc1ccc(-c2cc([C@H]3CCCCCN3Cc3cccc(O)c3)no2)cc1OC ZINC000012185658 558344992 /nfs/dbraw/zinc/34/49/92/558344992.db2.gz JAMAUBIGXZGQIT-OAQYLSRUSA-N 0 0 408.498 5.182 40 0 HKABRN O=c1c(CN2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)coc2ccccc12 ZINC000012185697 558344862 /nfs/dbraw/zinc/34/48/62/558344862.db2.gz JYSPBWPEHSHMOS-QFIPXVFZSA-N 0 0 418.468 5.704 40 0 HKABRN O=c1c(CN2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)coc2ccccc12 ZINC000012185701 558345005 /nfs/dbraw/zinc/34/50/05/558345005.db2.gz JYSPBWPEHSHMOS-JOCHJYFZSA-N 0 0 418.468 5.704 40 0 HKABRN O=C(c1ccccc1F)N1CCc2cc(-c3csc(-c4cccnc4)n3)ccc21 ZINC000012186125 558345530 /nfs/dbraw/zinc/34/55/30/558345530.db2.gz RGVPAOOHGOMVIK-UHFFFAOYSA-N 0 0 401.466 5.214 40 0 HKABRN COc1cc2cc(C3CCN(C(=O)c4cc(C)oc4C4CC4)CC3)ncc2cc1C ZINC000012188106 558347068 /nfs/dbraw/zinc/34/70/68/558347068.db2.gz RRRDHAXWTRSOIA-UHFFFAOYSA-N 0 0 404.510 5.350 40 0 HKABRN Cc1nn([C@@H](C)CC(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)c(C)c1Cl ZINC000012188170 558347046 /nfs/dbraw/zinc/34/70/46/558347046.db2.gz CSFVIJQEZPBRNV-MGPUTAFESA-N 0 0 410.949 5.059 40 0 HKABRN Cc1nn([C@H](C)CC(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)c(C)c1Cl ZINC000012188172 558347090 /nfs/dbraw/zinc/34/70/90/558347090.db2.gz CSFVIJQEZPBRNV-FOIQADDNSA-N 0 0 410.949 5.059 40 0 HKABRN Cc1nn([C@@H](C)CC(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)c(C)c1Cl ZINC000012188173 558347109 /nfs/dbraw/zinc/34/71/09/558347109.db2.gz CSFVIJQEZPBRNV-YWZLYKJASA-N 0 0 410.949 5.059 40 0 HKABRN Cc1nn([C@H](C)CC(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)c(C)c1Cl ZINC000012188175 558347044 /nfs/dbraw/zinc/34/70/44/558347044.db2.gz CSFVIJQEZPBRNV-QRWLVFNGSA-N 0 0 410.949 5.059 40 0 HKABRN CC(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cs1 ZINC000012219602 132356852 /nfs/dbraw/zinc/35/68/52/132356852.db2.gz QQSVMOLBJUAFSD-UHFFFAOYSA-N 0 0 411.914 5.015 40 0 HKABRN CC(C)C(=O)N1CCCc2cc(-c3csc(NC(=O)c4ccccc4F)n3)ccc21 ZINC000012220061 132356901 /nfs/dbraw/zinc/35/69/01/132356901.db2.gz QHXMWKOBPVPKAE-UHFFFAOYSA-N 0 0 423.513 5.137 40 0 HKABRN CC(C)C(=O)N1CCCc2cc(-c3csc(NC(=O)c4cccs4)n3)ccc21 ZINC000012220065 132356877 /nfs/dbraw/zinc/35/68/77/132356877.db2.gz QLFOUXVHJBWLNM-UHFFFAOYSA-N 0 0 411.552 5.059 40 0 HKABRN CC(C)C(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cs1 ZINC000012220096 132356915 /nfs/dbraw/zinc/35/69/15/132356915.db2.gz UEXMDJZQFQMBAV-UHFFFAOYSA-N 0 0 423.513 5.137 40 0 HKABRN CC(C)C(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)cs1 ZINC000012220097 132356865 /nfs/dbraw/zinc/35/68/65/132356865.db2.gz ZPOVMRIYUHGXMP-UHFFFAOYSA-N 0 0 423.513 5.137 40 0 HKABRN CC(C)c1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)C3CCCC3)cc2)n1 ZINC000012220519 558355667 /nfs/dbraw/zinc/35/56/67/558355667.db2.gz UZNLPQVYHMCRRD-UHFFFAOYSA-N 0 0 400.526 5.135 40 0 HKABRN CC(C)c1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)C3CCCCC3)cc2)n1 ZINC000012220520 558355688 /nfs/dbraw/zinc/35/56/88/558355688.db2.gz DWSWXKSWMVRJIA-UHFFFAOYSA-N 0 0 414.553 5.526 40 0 HKABRN C[C@@H](Nc1ncc(-c2cccs2)c(-c2nccs2)n1)c1nc2ccccc2[nH]1 ZINC000012220835 558355731 /nfs/dbraw/zinc/35/57/31/558355731.db2.gz BKRFFUMYAKUXQZ-GFCCVEGCSA-N 0 0 404.524 5.378 40 0 HKABRN C[C@H](Nc1ncc(-c2cccs2)c(-c2nccs2)n1)c1nc2ccccc2[nH]1 ZINC000012220836 558355723 /nfs/dbraw/zinc/35/57/23/558355723.db2.gz BKRFFUMYAKUXQZ-LBPRGKRZSA-N 0 0 404.524 5.378 40 0 HKABRN C[C@@H](Nc1ncc(-c2cccs2)c(-c2nccs2)n1)c1ccc2c(c1)OCCO2 ZINC000012220843 558355715 /nfs/dbraw/zinc/35/57/15/558355715.db2.gz JDWXQOZZSBDLGQ-CYBMUJFWSA-N 0 0 422.535 5.273 40 0 HKABRN C[C@H](Nc1ncc(-c2cccs2)c(-c2nccs2)n1)c1ccc2c(c1)OCCO2 ZINC000012220844 558355710 /nfs/dbraw/zinc/35/57/10/558355710.db2.gz JDWXQOZZSBDLGQ-ZDUSSCGKSA-N 0 0 422.535 5.273 40 0 HKABRN c1csc(-c2nc(NCc3cccc(-n4ccnc4)c3)ncc2-c2ccsc2)n1 ZINC000012221805 558356069 /nfs/dbraw/zinc/35/60/69/558356069.db2.gz REMMJJQRNTVSDJ-UHFFFAOYSA-N 0 0 416.535 5.126 40 0 HKABRN Cc1nc(-c2nc(N(C)CCc3ccccn3)ncc2-c2ccsc2)sc1C ZINC000012222923 558356576 /nfs/dbraw/zinc/35/65/76/558356576.db2.gz YVIBFCBQESLPLT-UHFFFAOYSA-N 0 0 407.568 5.019 40 0 HKABRN Cc1nc(-c2nc(NCCCc3ccccn3)ncc2-c2ccsc2)sc1C ZINC000012222924 558356454 /nfs/dbraw/zinc/35/64/54/558356454.db2.gz VRBBMOOYJWWGKH-UHFFFAOYSA-N 0 0 407.568 5.385 40 0 HKABRN COc1ccc(C(=O)CSc2ncc(-c3cc(C)no3)c(-c3cccs3)n2)cc1 ZINC000012233160 558358297 /nfs/dbraw/zinc/35/82/97/558358297.db2.gz JYBDJEIZMQDXDF-UHFFFAOYSA-N 0 0 423.519 5.152 40 0 HKABRN COc1cccc(C(=O)CSc2ncc(-c3cc(C)no3)c(-c3cccs3)n2)c1 ZINC000012233164 558358284 /nfs/dbraw/zinc/35/82/84/558358284.db2.gz ZQISEXCMYQPPGJ-UHFFFAOYSA-N 0 0 423.519 5.152 40 0 HKABRN CN(C(=O)C1CCCCC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 ZINC000012237239 132357539 /nfs/dbraw/zinc/35/75/39/132357539.db2.gz NBMVHDFNYSDHQD-UHFFFAOYSA-N 0 0 423.582 5.042 40 0 HKABRN CN(C(=O)CC1CCCC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 ZINC000012237268 132357554 /nfs/dbraw/zinc/35/75/54/132357554.db2.gz QPSWINLBDMPVQS-UHFFFAOYSA-N 0 0 423.582 5.042 40 0 HKABRN O=c1/c(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)sc2nc3ccccc3n12 ZINC000012238856 558359360 /nfs/dbraw/zinc/35/93/60/558359360.db2.gz CZOMAZOWXBFOQM-LICLKQGHSA-N 0 0 413.285 5.024 40 0 HKABRN CCC(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCCC2)cs1 ZINC000012241408 132357634 /nfs/dbraw/zinc/35/76/34/132357634.db2.gz KOCKVRDBBSUDEK-UHFFFAOYSA-N 0 0 411.571 5.042 40 0 HKABRN Clc1ccc(OCc2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000012249608 560778852 /nfs/dbraw/zinc/77/88/52/560778852.db2.gz RLBUROGYGUBRFQ-UHFFFAOYSA-N 0 0 401.702 5.901 40 0 HKABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1sc2nc(C)cc(C)c2c1C ZINC000012249703 558362170 /nfs/dbraw/zinc/36/21/70/558362170.db2.gz NLKMFYQUWKPRBB-UHFFFAOYSA-N 0 0 402.541 5.329 40 0 HKABRN COc1ccc(CCNc2ncc(-c3cccs3)c(-c3nccs3)n2)cc1OC ZINC000012251463 558362154 /nfs/dbraw/zinc/36/21/54/558362154.db2.gz CBSICILMPFXBPV-UHFFFAOYSA-N 0 0 424.551 5.000 40 0 HKABRN Cc1occc1-c1nc(NCc2ccc(Cl)c(Cl)c2)ncc1-c1cnccn1 ZINC000012252991 558362525 /nfs/dbraw/zinc/36/25/25/558362525.db2.gz PAQYVFXXSKVGCC-UHFFFAOYSA-N 0 0 412.280 5.421 40 0 HKABRN O=C(NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1)c1ccccc1F ZINC000012257200 558362935 /nfs/dbraw/zinc/36/29/35/558362935.db2.gz OTIHMMPVOKPKEX-UHFFFAOYSA-N 0 0 424.479 5.152 40 0 HKABRN O=C(NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1)[C@H]1CC=CCC1 ZINC000012257229 558362991 /nfs/dbraw/zinc/36/29/91/558362991.db2.gz HYTBUTQETWEJFC-NRFANRHFSA-N 0 0 410.521 5.056 40 0 HKABRN O=C(NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1)[C@@H]1CC=CCC1 ZINC000012257235 558362941 /nfs/dbraw/zinc/36/29/41/558362941.db2.gz HYTBUTQETWEJFC-OAQYLSRUSA-N 0 0 410.521 5.056 40 0 HKABRN O=C(C[C@H]1C=CCC1)NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1 ZINC000012257264 558363002 /nfs/dbraw/zinc/36/30/02/558363002.db2.gz VZLWTSUHQFFWQY-SFHVURJKSA-N 0 0 410.521 5.056 40 0 HKABRN O=C(C[C@@H]1C=CCC1)NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1 ZINC000012257271 558362985 /nfs/dbraw/zinc/36/29/85/558362985.db2.gz VZLWTSUHQFFWQY-GOSISDBHSA-N 0 0 410.521 5.056 40 0 HKABRN O=C1S/C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012275291 558363921 /nfs/dbraw/zinc/36/39/21/558363921.db2.gz CPFMFXDLGKWMRX-APSNUPSMSA-N 0 0 422.815 6.081 40 0 HKABRN COc1cc(/C=C2\SC(=O)N(c3ccc4ccccc4c3)C2=O)cc(OC)c1OC ZINC000012278516 558364735 /nfs/dbraw/zinc/36/47/35/558364735.db2.gz WBUOOSHXIKRFNC-NDENLUEZSA-N 0 0 421.474 5.107 40 0 HKABRN CCOc1ccc([C@@]23Oc4ccccc4[C@H](c4ccccc4)[C@@H]2C3(Cl)Cl)cc1 ZINC000012318507 558381489 /nfs/dbraw/zinc/38/14/89/558381489.db2.gz CTUJYKBLFJUAQV-RJGXRXQPSA-N 0 0 411.328 6.309 40 0 HKABRN Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccnc1 ZINC000012319096 569344796 /nfs/dbraw/zinc/34/47/96/569344796.db2.gz KIDFCRUJNGYXIA-LVWGJNHUSA-N 0 0 405.910 5.210 40 0 HKABRN O=C(/C=C\C(=O)Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl ZINC000012339982 558386055 /nfs/dbraw/zinc/38/60/55/558386055.db2.gz LYENZPAFXQCIOX-WAYWQWQTSA-N 0 0 406.048 5.367 40 0 HKABRN O=C(NC1CCCC1)C1(Cc2ccccc2-c2coc3ccccc32)CCOCC1 ZINC000012366505 558388344 /nfs/dbraw/zinc/38/83/44/558388344.db2.gz GGSGPCJXZPAGSC-UHFFFAOYSA-N 0 0 403.522 5.498 40 0 HKABRN COc1ccccc1-c1ccccc1CC1(C(=O)NC2CCCCC2)CCOCC1 ZINC000012366587 558388576 /nfs/dbraw/zinc/38/85/76/558388576.db2.gz RLHBMBXXWZYJNB-UHFFFAOYSA-N 0 0 407.554 5.150 40 0 HKABRN COc1cccc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1 ZINC000012371565 569381745 /nfs/dbraw/zinc/38/17/45/569381745.db2.gz ZCZZUKCSQLQMSS-OQNHBUHUSA-N 0 0 414.530 5.368 40 0 HKABRN Cc1ccc2nc(/N=c3\cc(-c4ccccc4)oc4ccc(Cl)cc43)sc2c1 ZINC000012374235 560779833 /nfs/dbraw/zinc/77/98/33/560779833.db2.gz ZXRWVGXALUQFIE-LGUFXXKBSA-N 0 0 402.906 6.904 40 0 HKABRN O=C(Nc1ccc(Br)cc1)C1[C@@H]2CC[C@H]3[C@@H](CC[C@H]12)C3(Cl)Cl ZINC000012374568 568526672 /nfs/dbraw/zinc/52/66/72/568526672.db2.gz IHGXONDQOAQJQW-CAPBHKODSA-N 0 0 403.147 5.244 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000012374569 560779934 /nfs/dbraw/zinc/77/99/34/560779934.db2.gz UBCQNAYMIJJLRK-ATNYCFDYSA-N 0 0 401.293 5.009 40 0 HKABRN COc1ccc([C@H]2CC(c3ccccc3)=C[C@@](O)(C(C)(C)C)[C@@H]2C(=O)C(C)(C)C)cc1 ZINC000012381226 558393323 /nfs/dbraw/zinc/39/33/23/558393323.db2.gz BLCORHYSCGUWJY-NYULUDCUSA-N 0 0 420.593 6.275 40 0 HKABRN C[C@@]1(C(=O)c2ccccc2)[C@@H]2c3c(ccc4ccccc43)OC(=O)[C@@]21C(=O)c1ccco1 ZINC000012384143 558393774 /nfs/dbraw/zinc/39/37/74/558393774.db2.gz GSVOTNZTSXDSKF-CAVYSCNFSA-N 0 0 422.436 5.208 40 0 HKABRN C[C@H](NC(=O)c1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1)c1ccccc1 ZINC000012401940 569400875 /nfs/dbraw/zinc/40/08/75/569400875.db2.gz GAJKSSYRPJHBHN-FQEVSTJZSA-N 0 0 422.528 6.016 40 0 HKABRN C[C@@H](NC(=O)c1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1)c1ccccc1 ZINC000012401941 569400870 /nfs/dbraw/zinc/40/08/70/569400870.db2.gz GAJKSSYRPJHBHN-HXUWFJFHSA-N 0 0 422.528 6.016 40 0 HKABRN CCOc1ccc(-c2cc(C(F)(F)F)c3c(Br)nsc3n2)cc1 ZINC000012411971 568715475 /nfs/dbraw/zinc/71/54/75/568715475.db2.gz JTBXUBNYXRXQCP-UHFFFAOYSA-N 0 0 403.223 5.538 40 0 HKABRN CCc1ccc([C@H]2Nc3ccc4ccccc4c3-c3c4ccccc4oc(=O)c32)cc1 ZINC000012413285 291293013 /nfs/dbraw/zinc/29/30/13/291293013.db2.gz MPWBHFRUBLANRR-HHHXNRCGSA-N 0 0 403.481 6.691 40 0 biogenic,in-vitro HKABRN CCc1ccc([C@@H]2Nc3ccc4ccccc4c3-c3c4ccccc4oc(=O)c32)cc1 ZINC000012413287 291293034 /nfs/dbraw/zinc/29/30/34/291293034.db2.gz MPWBHFRUBLANRR-MHZLTWQESA-N 0 0 403.481 6.691 40 0 biogenic,in-vitro HKABRN CCc1ccc(NCCC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000012413408 568717066 /nfs/dbraw/zinc/71/70/66/568717066.db2.gz HQYRZEHECGXXMR-UHFFFAOYSA-N 0 0 422.550 5.043 40 0 HKABRN COc1ccc(OC)c2c1[C@@H](c1cccc(NC(=O)C3CC3)c1)O[C@H]1CCCC[C@@H]21 ZINC000012420165 560780591 /nfs/dbraw/zinc/78/05/91/560780591.db2.gz CUDMNXSXYJGJGV-YDIMBITNSA-N 0 0 407.510 5.198 40 0 HKABRN COc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)cc1 ZINC000012420234 569401210 /nfs/dbraw/zinc/40/12/10/569401210.db2.gz HNLNQJYWWLCUAG-MDWZMJQESA-N 0 0 420.921 6.277 40 0 HKABRN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)/C=C/c2ccccc2)cc1 ZINC000012420646 560211841 /nfs/dbraw/zinc/21/18/41/560211841.db2.gz DVTCVHHMJPHVPH-GUWJCNJBSA-N 0 0 408.501 5.364 40 0 biogenic,in-vitro HKABRN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)/C=C/c2ccccc2)cc1 ZINC000012420647 560211830 /nfs/dbraw/zinc/21/18/30/560211830.db2.gz DVTCVHHMJPHVPH-NDMUKNDCSA-N 0 0 408.501 5.364 40 0 biogenic,in-vitro HKABRN O=C(Nc1cccc(OC(F)(F)C(F)F)c1)C12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2 ZINC000012436492 569401304 /nfs/dbraw/zinc/40/13/04/569401304.db2.gz VBEKPNJXBDYVGD-CCHVVGMOSA-N 0 0 405.819 5.440 40 0 HKABRN Cc1ccc(C23C[C@H]4C[C@H](CC(CNC(=O)CCC5CCCCC5)(C4)C2)C3)cc1C ZINC000012462198 560780415 /nfs/dbraw/zinc/78/04/15/560780415.db2.gz DPBADQNKSLHPHV-SIQOOTDXSA-N 0 0 407.642 6.618 40 0 HKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc12 ZINC000012468899 560780833 /nfs/dbraw/zinc/78/08/33/560780833.db2.gz YRNHHNWLJJSKBX-UHFFFAOYSA-N 0 0 423.497 6.547 40 0 HKABRN O=C(c1ccccc1F)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000012469184 560780813 /nfs/dbraw/zinc/78/08/13/560780813.db2.gz OYRYLGYTOBOEAU-UHFFFAOYSA-N 0 0 422.912 6.450 40 0 HKABRN O=C(c1cccc(F)c1)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000012469189 560780788 /nfs/dbraw/zinc/78/07/88/560780788.db2.gz TZWCPLRFDURVGL-UHFFFAOYSA-N 0 0 422.912 6.450 40 0 HKABRN Cc1cc(C)cc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)nsc32)c1 ZINC000012474406 560780894 /nfs/dbraw/zinc/78/08/94/560780894.db2.gz DMIGAWZKNKICCT-UHFFFAOYSA-N 0 0 424.526 5.240 40 0 HKABRN Cc1ccc2ccccc2c1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000012483410 560781010 /nfs/dbraw/zinc/78/10/10/560781010.db2.gz QFYFQVGFXUWHDO-UHFFFAOYSA-N 0 0 422.915 7.269 40 0 HKABRN Cc1cc(Br)c2c(c1)C(c1ccccc1)=NNC(c1ccc(Cl)cc1)=N2 ZINC000012484933 560781149 /nfs/dbraw/zinc/78/11/49/560781149.db2.gz LGVCDAJTBZRDSC-UHFFFAOYSA-N 0 0 424.729 5.845 40 0 HKABRN CCCCOc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(Cl)cc32)cc1 ZINC000012485136 560781105 /nfs/dbraw/zinc/78/11/05/560781105.db2.gz NDDGNUYDUQOCRG-UHFFFAOYSA-N 0 0 421.903 6.092 40 0 HKABRN COc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(Br)cc32)cc1 ZINC000012485273 560781163 /nfs/dbraw/zinc/78/11/63/560781163.db2.gz DAHVLCIPVCQZQR-UHFFFAOYSA-N 0 0 424.273 5.031 40 0 HKABRN CN(C)c1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3c4ccccc4ccc32)cc1 ZINC000012485679 560781177 /nfs/dbraw/zinc/78/11/77/560781177.db2.gz VCZYXKHHVHBVHY-UHFFFAOYSA-N 0 0 424.935 5.993 40 0 HKABRN CCOc1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccccc32)cc1 ZINC000012486369 560781117 /nfs/dbraw/zinc/78/11/17/560781117.db2.gz ZGVCAKZADIEAIK-UHFFFAOYSA-N 0 0 420.310 5.282 40 0 HKABRN CCOc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(Br)cc32)cc1 ZINC000012486414 560781142 /nfs/dbraw/zinc/78/11/42/560781142.db2.gz QLYXBFRPNSWTEV-UHFFFAOYSA-N 0 0 420.310 5.282 40 0 HKABRN COc1ccc2c(c1)C(c1ccc(C)cc1)=NNC(c1ccc(Br)cc1)=N2 ZINC000012486495 560781171 /nfs/dbraw/zinc/78/11/71/560781171.db2.gz XXPMNTISHHKMFF-UHFFFAOYSA-N 0 0 420.310 5.200 40 0 HKABRN Cc1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccc(Cl)cc32)cc1 ZINC000012486509 558423616 /nfs/dbraw/zinc/42/36/16/558423616.db2.gz KTXQKCURDCZMIC-UHFFFAOYSA-N 0 0 424.729 5.845 40 0 HKABRN Cc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(Br)cc32)cc1 ZINC000012486518 560781102 /nfs/dbraw/zinc/78/11/02/560781102.db2.gz PPXZMXFQFSHYIV-UHFFFAOYSA-N 0 0 424.729 5.845 40 0 HKABRN COc1ccc(C2=Nc3ccc(Br)cc3C(c3ccc(C)cc3)=NN2)cc1 ZINC000012486537 560781173 /nfs/dbraw/zinc/78/11/73/560781173.db2.gz SCKPVNCKRBJEQK-UHFFFAOYSA-N 0 0 420.310 5.200 40 0 HKABRN Cc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNC(c1ccc(Br)cc1)=N2 ZINC000012486543 560781119 /nfs/dbraw/zinc/78/11/19/560781119.db2.gz ZFGPMCPEJKHPSP-UHFFFAOYSA-N 0 0 424.729 5.845 40 0 HKABRN Clc1ccc(C2=NNC(c3cccs3)=Nc3ccc(Br)cc32)cc1 ZINC000012486592 560781099 /nfs/dbraw/zinc/78/10/99/560781099.db2.gz BVSRETHLXCEUBN-UHFFFAOYSA-N 0 0 416.731 5.598 40 0 HKABRN Fc1cccc(Cl)c1CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21 ZINC000012486897 560781114 /nfs/dbraw/zinc/78/11/14/560781114.db2.gz GDSMXHWYCWNQCX-UHFFFAOYSA-N 0 0 415.320 7.035 40 0 HKABRN Cn1c(SCc2c(F)cccc2Cl)nnc1-c1ccccc1Br ZINC000012488258 560781154 /nfs/dbraw/zinc/78/11/54/560781154.db2.gz XIHRQOGBOZQQFF-UHFFFAOYSA-N 0 0 412.715 5.329 40 0 HKABRN Cc1cccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1 ZINC000012491941 560781112 /nfs/dbraw/zinc/78/11/12/560781112.db2.gz SOZGPDRWBRELHC-SFHVURJKSA-N 0 0 424.488 5.142 40 0 aggregator HKABRN Cc1ccc(C)c2nc3sc(C(=O)Nc4cc(Cl)ccc4Cl)c(N)c3cc12 ZINC000012492167 560781248 /nfs/dbraw/zinc/78/12/48/560781248.db2.gz LXRHXGWVUJLJEL-UHFFFAOYSA-N 0 0 416.333 6.208 40 0 HKABRN COc1ccc2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)c3ccco3)cc2c1 ZINC000012493896 560781223 /nfs/dbraw/zinc/78/12/23/560781223.db2.gz OJPJYSRDTSYMAN-UHFFFAOYSA-N 0 0 424.859 5.472 40 0 HKABRN Cc1cc(C)c(NC(=O)CCCSc2nnc3c4cc(F)ccc4[nH]c3n2)c(C)c1 ZINC000012495823 558423668 /nfs/dbraw/zinc/42/36/68/558423668.db2.gz WGNPUPVPXBMTQM-UHFFFAOYSA-N 0 0 423.517 5.081 40 0 HKABRN Clc1ccc2c(c1)C(c1cccs1)=NNC(c1ccc(Br)cc1)=N2 ZINC000012497578 560781007 /nfs/dbraw/zinc/78/10/07/560781007.db2.gz HLUAJBGCZYMTSK-UHFFFAOYSA-N 0 0 416.731 5.598 40 0 HKABRN CC(C)c1ccc2c(c1)C(c1cccs1)=NNC(c1ccc(Br)cc1)=N2 ZINC000012497581 560781008 /nfs/dbraw/zinc/78/10/08/560781008.db2.gz ZEJJLCZMXOWOGE-UHFFFAOYSA-N 0 0 424.367 6.068 40 0 HKABRN Clc1ccc(C2=Nc3ccc(Br)cc3C(c3cccs3)=NN2)cc1 ZINC000012497585 560781020 /nfs/dbraw/zinc/78/10/20/560781020.db2.gz YMMUCDCIFUIUCY-UHFFFAOYSA-N 0 0 416.731 5.598 40 0 HKABRN CC(C)c1ccc(C2=Nc3ccc(Br)cc3C(c3cccs3)=NN2)cc1 ZINC000012497590 560781014 /nfs/dbraw/zinc/78/10/14/560781014.db2.gz WSXCIYLEHXGWAG-UHFFFAOYSA-N 0 0 424.367 6.068 40 0 HKABRN CCOc1ccc(C2=Nc3ccc(Br)cc3C(c3ccc(C)o3)=NN2)cc1 ZINC000012497599 560781032 /nfs/dbraw/zinc/78/10/32/560781032.db2.gz ZASSMKAZLSWYSA-UHFFFAOYSA-N 0 0 424.298 5.183 40 0 HKABRN O=C(Nc1ccccc1-c1ccccc1)n1c2ccccc2nc1NCc1ccncc1 ZINC000012499506 560781006 /nfs/dbraw/zinc/78/10/06/560781006.db2.gz LHTVHFUQMGVHGU-UHFFFAOYSA-N 0 0 419.488 5.791 40 0 HKABRN C[C@@H](Sc1nnc(-c2ccc(Br)cc2)o1)C(=O)c1ccc(Cl)cc1 ZINC000012499829 569401703 /nfs/dbraw/zinc/40/17/03/569401703.db2.gz POSRRRADYBVANW-SNVBAGLBSA-N 0 0 423.719 5.516 40 0 HKABRN C[C@H](Sc1nnc(-c2ccc(Br)cc2)o1)C(=O)c1ccc(Cl)cc1 ZINC000012499836 569401757 /nfs/dbraw/zinc/40/17/57/569401757.db2.gz POSRRRADYBVANW-JTQLQIEISA-N 0 0 423.719 5.516 40 0 HKABRN Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)Nc5ccc(OC(F)F)cc5)(C4)C2)C3)cc1 ZINC000012561146 560781753 /nfs/dbraw/zinc/78/17/53/560781753.db2.gz RLJWEIMTCAUXIG-FLCJAFJVSA-N 0 0 411.492 6.073 40 0 HKABRN CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc(NC(C)=O)cc1 ZINC000012561956 569042994 /nfs/dbraw/zinc/04/29/94/569042994.db2.gz VYEGHGGBZOKLCH-NMWGTECJSA-N 0 0 406.338 5.734 40 0 HKABRN O=C(/N=c1\scc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000012564024 569401849 /nfs/dbraw/zinc/40/18/49/569401849.db2.gz AEBGQDIYQDZEBG-QYQHSDTDSA-N 0 0 424.447 5.966 40 0 HKABRN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)Cc1ccc(Cl)cc1Cl ZINC000012565760 560781766 /nfs/dbraw/zinc/78/17/66/560781766.db2.gz AJCOJNIDPWQPOB-OWQGQXMQSA-N 0 0 401.330 5.083 40 0 HKABRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)Cc1ccc(Cl)cc1Cl ZINC000012565761 560781956 /nfs/dbraw/zinc/78/19/56/560781956.db2.gz AJCOJNIDPWQPOB-XCRHUMRWSA-N 0 0 401.330 5.083 40 0 HKABRN Cc1ccc(-c2cs/c(=N\C(=O)c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000012570795 558428706 /nfs/dbraw/zinc/42/87/06/558428706.db2.gz XETUIABCAPDWMP-BZZOAKBMSA-N 0 0 404.922 5.909 40 0 HKABRN CCOC(=O)CS/C(=C\C=C\c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000012580318 558432350 /nfs/dbraw/zinc/43/23/50/558432350.db2.gz CCKQTIUZIVHMHN-CAMSTOTOSA-N 0 0 401.915 5.172 40 0 HKABRN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1c2ccccc2nc2c1CCCC2 ZINC000012582122 560782933 /nfs/dbraw/zinc/78/29/33/560782933.db2.gz CJXLAZCJVZXDAK-BSRJHKFKSA-N 0 0 423.553 5.274 40 0 HKABRN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000012599658 560782891 /nfs/dbraw/zinc/78/28/91/560782891.db2.gz RLBIDTCWEJEYCH-IGKWTDBASA-N 0 0 408.538 5.443 40 0 HKABRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000012599661 560782888 /nfs/dbraw/zinc/78/28/88/560782888.db2.gz RLBIDTCWEJEYCH-IEXUWNMDSA-N 0 0 408.538 5.443 40 0 HKABRN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)Cc1c(Cl)cccc1Cl ZINC000012599855 560782044 /nfs/dbraw/zinc/78/20/44/560782044.db2.gz FNGJGPPNHDHUKP-DEYYWGMASA-N 0 0 401.330 5.083 40 0 HKABRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)Cc1c(Cl)cccc1Cl ZINC000012599857 560782053 /nfs/dbraw/zinc/78/20/53/560782053.db2.gz FNGJGPPNHDHUKP-IYOUNJFTSA-N 0 0 401.330 5.083 40 0 HKABRN COc1cccc(/N=c2\oc3ccccc3cc2-c2nc(-c3ccccc3)cs2)c1 ZINC000012602063 569402072 /nfs/dbraw/zinc/40/20/72/569402072.db2.gz FPVBOGKSOVIFDS-LCUIJRPUSA-N 0 0 410.498 6.464 40 0 HKABRN CN1c2ccccc2C(C)(C)/C1=C(/C=N/c1ccc(Cl)cc1)C(=O)c1cccs1 ZINC000012602879 569402136 /nfs/dbraw/zinc/40/21/36/569402136.db2.gz PSYQEEWMPMSWSY-DMEDTNGESA-N 0 0 420.965 6.668 40 0 HKABRN O=C(NCc1nc2ccccc2n1Cc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000012616024 558439169 /nfs/dbraw/zinc/43/91/69/558439169.db2.gz WWAKLQMHNHRUAI-UHFFFAOYSA-N 0 0 410.304 5.321 40 0 HKABRN O=C(CC12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)Nc1nc2ccccc2s1 ZINC000012620422 560783243 /nfs/dbraw/zinc/78/32/43/560783243.db2.gz MAJDJXQDKYPECP-NFAYLAGKSA-N 0 0 405.361 5.359 40 0 HKABRN CCCCOCCCn1c(-c2ccc(CC)cc2)cs/c1=N\c1c(C)cccc1C ZINC000012622666 560783223 /nfs/dbraw/zinc/78/32/23/560783223.db2.gz PSEBVDHGKSEASH-RQZHXJHFSA-N 0 0 422.638 6.835 40 0 HKABRN O=C(Nc1ccccc1Cc1ccccc1)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000012637369 560783312 /nfs/dbraw/zinc/78/33/12/560783312.db2.gz DQLSOAICGUUMDB-LHHMWQFHSA-N 0 0 424.382 5.950 40 0 HKABRN Cc1nc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc(Cl)cc1 ZINC000012640260 560783298 /nfs/dbraw/zinc/78/32/98/560783298.db2.gz CLWFHWSMCNWIHN-UHFFFAOYSA-N 0 0 406.294 5.263 40 0 HKABRN Cc1nc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cccc(Cl)c1 ZINC000012640272 560783305 /nfs/dbraw/zinc/78/33/05/560783305.db2.gz HYTGQBFQIXAAMU-UHFFFAOYSA-N 0 0 406.294 5.263 40 0 HKABRN Cc1nc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc2c(c1)CCC2 ZINC000012640336 560783309 /nfs/dbraw/zinc/78/33/09/560783309.db2.gz TXNVKXYCACYTSB-UHFFFAOYSA-N 0 0 411.914 5.098 40 0 HKABRN O=C(CSc1nc(-c2cccc(Cl)c2)nc2ccc(F)cc21)Nc1ccccc1 ZINC000012645680 560783162 /nfs/dbraw/zinc/78/31/62/560783162.db2.gz HIXBVLZURQWXPF-UHFFFAOYSA-N 0 0 423.900 5.820 40 0 HKABRN CN(C(=O)OCc1ccccc1)[C@@H](CN1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000012651040 558443807 /nfs/dbraw/zinc/44/38/07/558443807.db2.gz ODTTVNAVWYUGKP-FQEVSTJZSA-N 0 0 407.341 5.399 40 0 HKABRN CC1=C[C@@H](C)[C@H](C2OCC3(CO2)COC([C@H]2[C@@H](C)C=C(C)C[C@@H]2C)OC3)[C@H](C)C1 ZINC000012653330 560784185 /nfs/dbraw/zinc/78/41/85/560784185.db2.gz JLEHIYGUDHRGOJ-QUHQIYIMSA-N 0 0 404.591 5.195 40 0 HKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5CC=CC[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000012654772 558444466 /nfs/dbraw/zinc/44/44/66/558444466.db2.gz XGZQDBRFMPJPBO-KAGRPROJSA-N 0 0 410.598 6.032 40 0 HKABRN COc1ccc([C@@H]2OC[C@]3(COC(=O)Nc4ccccc4)[C@H](C)[C@H]2C(C)=C[C@@H]3C)cc1 ZINC000012655501 560784135 /nfs/dbraw/zinc/78/41/35/560784135.db2.gz OGCHLIHOPGTPPY-NZEAGBOMSA-N 0 0 421.537 5.850 40 0 HKABRN COc1ccc([C@@H]2OC[C@@]3(COC(=O)Nc4ccccc4)[C@H](C)C=C(C)[C@@H]2[C@H]3C)cc1 ZINC000012655502 560784146 /nfs/dbraw/zinc/78/41/46/560784146.db2.gz OGCHLIHOPGTPPY-PKUXDDJKSA-N 0 0 421.537 5.850 40 0 HKABRN COc1ccc(C2=C[C@@H](c3ccccc3)[C@@H]3CCCC[C@@]34Nc3ccccc3N24)cc1 ZINC000012656172 560784164 /nfs/dbraw/zinc/78/41/64/560784164.db2.gz VCIWUKDDAJEZBS-QONNDPFASA-N 0 0 408.545 6.652 40 0 HKABRN COc1ccc(C2=C[C@@H](c3ccccc3)[C@H]3CCCC[C@@]34Nc3ccccc3N24)cc1 ZINC000012656181 560784137 /nfs/dbraw/zinc/78/41/37/560784137.db2.gz VCIWUKDDAJEZBS-JPYHZWLXSA-N 0 0 408.545 6.652 40 0 HKABRN COc1ccc(C2=C[C@@H](c3ccccc3)[C@@H]3CCCC[C@@]34Oc3ccccc3N24)cc1 ZINC000012656890 560784175 /nfs/dbraw/zinc/78/41/75/560784175.db2.gz HGGPYRPVMWSYOB-IBGGVINMSA-N 0 0 409.529 6.619 40 0 HKABRN COc1ccc(C2=C[C@@H](c3ccccc3)[C@H]3CCCC[C@@]34Oc3ccccc3N24)cc1 ZINC000012656898 560784148 /nfs/dbraw/zinc/78/41/48/560784148.db2.gz HGGPYRPVMWSYOB-VYKTZEHYSA-N 0 0 409.529 6.619 40 0 HKABRN Clc1ccc(CSc2nnc(COc3ccccc3Cl)o2)cc1Cl ZINC000012676459 569344835 /nfs/dbraw/zinc/34/48/35/569344835.db2.gz SYWOCFHXVOYYJQ-UHFFFAOYSA-N 0 0 401.702 5.901 40 0 HKABRN Clc1ccccc1OCc1nnc(SCc2ccc(Br)cc2)o1 ZINC000012676593 558445776 /nfs/dbraw/zinc/44/57/76/558445776.db2.gz NOIWKQMEYKHSLV-UHFFFAOYSA-N 0 0 411.708 5.357 40 0 HKABRN COc1ccc(-c2ccc(C3=NNC(c4cccnc4)=Nc4ccc(F)cc43)cc2)cc1 ZINC000012707537 560786143 /nfs/dbraw/zinc/78/61/43/560786143.db2.gz LNRVDUWUAMHKPY-UHFFFAOYSA-N 0 0 422.463 5.330 40 0 HKABRN CC(C)c1ccc(C2=Nc3ccc(Br)cc3C(c3cccnc3)=NN2)cc1 ZINC000012707570 560786179 /nfs/dbraw/zinc/78/61/79/560786179.db2.gz SGXYHECXARJNLH-UHFFFAOYSA-N 0 0 419.326 5.401 40 0 HKABRN Clc1cccc(C2=NNC(c3cccs3)=Nc3ccc(Br)cc32)c1 ZINC000012707608 560786162 /nfs/dbraw/zinc/78/61/62/560786162.db2.gz MMZBCZQJTMOFIG-UHFFFAOYSA-N 0 0 416.731 5.598 40 0 HKABRN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nc(-c4ccccc4)cs3)cc12 ZINC000012711556 560786246 /nfs/dbraw/zinc/78/62/46/560786246.db2.gz IJCNMXCWRZILNR-UHFFFAOYSA-N 0 0 416.531 5.771 40 0 HKABRN O=C(CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc21)OCc1ccccc1 ZINC000012716346 560786319 /nfs/dbraw/zinc/78/63/19/560786319.db2.gz LHSQNPWTZBODHS-UHFFFAOYSA-N 0 0 422.456 5.411 40 0 HKABRN COc1ccccc1OCCCNc1ncc(-c2cccs2)c(-c2nccs2)n1 ZINC000012729307 558457159 /nfs/dbraw/zinc/45/71/59/558457159.db2.gz WQJXVLRVALIPJI-UHFFFAOYSA-N 0 0 424.551 5.218 40 0 HKABRN Cc1occc1-c1nc(NCc2ccc(C(F)(F)F)cc2)ncc1-c1cnccn1 ZINC000012739533 558457584 /nfs/dbraw/zinc/45/75/84/558457584.db2.gz QVANWGMBMRUCNV-UHFFFAOYSA-N 0 0 411.387 5.133 40 0 HKABRN Cc1noc(C)c1CCNc1ncc(-c2ccsc2)c(-c2nc(C)c(C)s2)n1 ZINC000012751675 558459039 /nfs/dbraw/zinc/45/90/39/558459039.db2.gz UKSHASWQJYJZHC-UHFFFAOYSA-N 0 0 411.556 5.205 40 0 HKABRN Cc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000012820995 560786560 /nfs/dbraw/zinc/78/65/60/560786560.db2.gz HJHLKHVJUPOYPS-XLAORIBOSA-N 0 0 400.567 5.015 40 0 HKABRN CC[C@@H]1CCCCN1C(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000012844407 558478606 /nfs/dbraw/zinc/47/86/06/558478606.db2.gz WISUXUPARUZWKV-CYBMUJFWSA-N 0 0 413.465 5.029 40 0 HKABRN CC[C@H]1CCCCN1C(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000012844409 558478595 /nfs/dbraw/zinc/47/85/95/558478595.db2.gz WISUXUPARUZWKV-ZDUSSCGKSA-N 0 0 413.465 5.029 40 0 HKABRN CN(C(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1)c1ccccc1 ZINC000012845347 558478913 /nfs/dbraw/zinc/47/89/13/558478913.db2.gz GTLHWZKJIYMTET-UHFFFAOYSA-N 0 0 418.856 5.023 40 0 HKABRN O=C1[C@@H](c2ccccc2)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000012851080 569326720 /nfs/dbraw/zinc/32/67/20/569326720.db2.gz CRLQJTSACHTAGF-LAJGZZDBSA-N 0 0 403.525 6.209 40 0 HKABRN COc1ccccc1[C@@]1(CCN(C(C)=O)[C@H](C)c2ccccc2)CCO[C@@H](C(C)C)C1 ZINC000012863676 558481592 /nfs/dbraw/zinc/48/15/92/558481592.db2.gz BLORJSGUUHAICH-ZFWHIUCFSA-N 0 0 423.597 5.768 40 0 HKABRN CC(=O)[C@@]12CCCC[C@H]1C[C@H]1[C@@H]3C[C@H](C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000012868705 560787683 /nfs/dbraw/zinc/78/76/83/560787683.db2.gz PATZWJFBWJISFP-OOVIJICOSA-N 0 0 402.619 5.126 40 0 HKABRN CC(=O)[C@@]12CCCC[C@H]1C[C@H]1[C@@H]3C[C@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000012869731 560787819 /nfs/dbraw/zinc/78/78/19/560787819.db2.gz YYJQALYDDZZWSF-ZLTXEPDNSA-N 0 0 400.603 5.335 40 0 HKABRN CCN(C(=O)CSc1nnc2scc(-c3ccc(C)c(C)c3)n12)c1ccccc1 ZINC000012878681 560788145 /nfs/dbraw/zinc/78/81/45/560788145.db2.gz SMQVNOHQTMZHDJ-UHFFFAOYSA-N 0 0 422.579 5.220 40 0 HKABRN O=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)c1ccc(Cl)cc1 ZINC000012878799 560788175 /nfs/dbraw/zinc/78/81/75/560788175.db2.gz STOWMFJJSLOWGB-UHFFFAOYSA-N 0 0 420.346 5.740 40 0 HKABRN O=C(O[C@H](c1nccc2ccccc21)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000012880351 558482700 /nfs/dbraw/zinc/48/27/00/558482700.db2.gz WINZRUPYVLUOKS-QFIPXVFZSA-N 0 0 408.284 6.488 40 0 HKABRN CC(=O)Nc1ccc(C(=O)CSc2nc3cc(Cl)ccc3c3c2CCCC3)cc1 ZINC000012881912 560788319 /nfs/dbraw/zinc/78/83/19/560788319.db2.gz MUMBOPSFFGPIJE-UHFFFAOYSA-N 0 0 424.953 5.700 40 0 HKABRN Cc1coc2cc3oc(=O)c(CCC(=O)N4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)c(C)c3cc12 ZINC000012897908 560788858 /nfs/dbraw/zinc/78/88/58/560788858.db2.gz XCLMNFANGATWRU-QLXKLKPCSA-N 0 0 421.537 5.516 40 0 HKABRN Cc1coc2cc3oc(=O)c(CCC(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)c(C)c3cc12 ZINC000012897916 560788839 /nfs/dbraw/zinc/78/88/39/560788839.db2.gz XCLMNFANGATWRU-WGDIFIGCSA-N 0 0 421.537 5.516 40 0 HKABRN COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl ZINC000012970089 558488650 /nfs/dbraw/zinc/48/86/50/558488650.db2.gz OTVYYCJLPLRNDU-UHFFFAOYSA-N 0 0 407.857 5.153 40 0 HKABRN O=C(NC(c1ccccc1)c1ccccc1)c1cc2sccc2n1Cc1ccccc1 ZINC000013083062 560792591 /nfs/dbraw/zinc/79/25/91/560792591.db2.gz IVVIRRZEKQETRX-UHFFFAOYSA-N 0 0 422.553 6.271 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000013083092 560792541 /nfs/dbraw/zinc/79/25/41/560792541.db2.gz MRTHUVAKXPCHRI-UHFFFAOYSA-N 0 0 419.308 6.449 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000013083097 560792570 /nfs/dbraw/zinc/79/25/70/560792570.db2.gz MKKYLBVEYOTGPC-UHFFFAOYSA-N 0 0 419.308 6.449 40 0 HKABRN O=C(Nc1ccc(Cl)cc1Cl)c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000013083098 560792572 /nfs/dbraw/zinc/79/25/72/560792572.db2.gz YHQGQNPMRMBPPJ-UHFFFAOYSA-N 0 0 419.308 6.449 40 0 HKABRN Cc1cc2nc(-c3ccc(SCC(=O)c4ccc(Cl)cc4)nc3)[nH]c2cc1C ZINC000013086540 560793516 /nfs/dbraw/zinc/79/35/16/560793516.db2.gz CVIKKANRPAHMQF-UHFFFAOYSA-N 0 0 407.926 5.870 40 0 HKABRN CCOc1ccc2[nH]c(=O)c(CNc3cc(-c4ccccc4)ccc3OC)cc2c1 ZINC000013086668 560793558 /nfs/dbraw/zinc/79/35/58/560793558.db2.gz XJNQBZRXRBCUEN-UHFFFAOYSA-N 0 0 400.478 5.215 40 0 HKABRN CCCCCCn1c(-c2cc3ccccc3o2)cs/c1=N\c1ccc(OC)cc1 ZINC000013110080 560800004 /nfs/dbraw/zinc/80/00/04/560800004.db2.gz QTZARHDLROPZBN-IZHYLOQSSA-N 0 0 406.551 6.784 40 0 HKABRN Cc1ccc(-n2c(-c3ccc(Br)cc3)cs/c2=N\C(=O)C(C)C)cc1 ZINC000013162965 558524505 /nfs/dbraw/zinc/52/45/05/558524505.db2.gz PFFWSBGEVPLZPD-XDOYNYLZSA-N 0 0 415.356 5.360 40 0 HKABRN c1ccc(-c2[nH]c(-c3nccc4ccccc43)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000013205382 569030422 /nfs/dbraw/zinc/03/04/22/569030422.db2.gz VGJFVAPAEXMESO-UHFFFAOYSA-N 0 0 422.531 8.231 40 0 HKABRN CCc1nc(C)cn1[P@@](=O)(Oc1ccccc1)OC1CC(C)(C)N(O)C(C)(C)C1 ZINC000013207502 558525677 /nfs/dbraw/zinc/52/56/77/558525677.db2.gz VXWUJDLRHASQPI-GDLZYMKVSA-N 0 0 421.478 5.217 40 0 HKABRN O=C(c1nc(-c2ccc(-c3ccccc3)cc2)c[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000013212682 558525928 /nfs/dbraw/zinc/52/59/28/558525928.db2.gz XSXVRHYCCFQZGU-UHFFFAOYSA-N 0 0 400.481 6.642 40 0 HKABRN c1ccc(-c2cc(Nc3ccc4c(c3)OCO4)c3cc(C4CCCCC4)ccc3n2)cc1 ZINC000013213443 558525914 /nfs/dbraw/zinc/52/59/14/558525914.db2.gz QZUUGTOVWGFKHF-UHFFFAOYSA-N 0 0 422.528 7.422 40 0 HKABRN COc1ccc(CC(Cc2ccc(OC)cc2)(c2ccccc2)n2ccnc2C)cc1 ZINC000013281816 558528625 /nfs/dbraw/zinc/52/86/25/558528625.db2.gz YFWBMPMBSKJSJT-UHFFFAOYSA-N 0 0 412.533 5.438 40 0 HKABRN CCOc1cc(C)c2cc(Cc3cc(C)c4nc(OCC)cc(C)c4c3)cc(C)c2n1 ZINC000013283028 558529152 /nfs/dbraw/zinc/52/91/52/558529152.db2.gz FRTYAUBHPZEEED-UHFFFAOYSA-N 0 0 414.549 6.405 40 0 HKABRN O=P(Nc1ccc(Br)cn1)(Oc1ccccc1)Oc1ccccc1 ZINC000013283278 558529181 /nfs/dbraw/zinc/52/91/81/558529181.db2.gz NJADDKJSJGAQAT-UHFFFAOYSA-N 0 0 405.188 5.522 40 0 HKABRN COc1cc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc(OC)c1OC ZINC000013283700 558529091 /nfs/dbraw/zinc/52/90/91/558529091.db2.gz FSAIVDWVCUYMDU-UHFFFAOYSA-N 0 0 405.881 6.248 40 0 HKABRN Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(COc2cccc3ccccc32)n1 ZINC000013285058 558529079 /nfs/dbraw/zinc/52/90/79/558529079.db2.gz JAJRIBVNNIVHRR-UHFFFAOYSA-N 0 0 411.292 5.347 40 0 HKABRN O=C(/C=C\c1ccccc1)NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000013286031 558529406 /nfs/dbraw/zinc/52/94/06/558529406.db2.gz KKMXKWXCMDVETL-YPKPFQOOSA-N 0 0 415.543 5.490 40 0 HKABRN CC(C)CCC[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 ZINC000013298381 560213785 /nfs/dbraw/zinc/21/37/85/560213785.db2.gz YMMFNKXZULYSOQ-YTZPQNMLSA-N 0 0 420.678 5.554 40 0 biogenic,in-vitro HKABRN CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000013298393 560213793 /nfs/dbraw/zinc/21/37/93/560213793.db2.gz MKGZDUKUQPPHFM-NHFSXRNUSA-N 0 0 410.686 8.009 40 0 biogenic,in-vitro HKABRN O=C(CC12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)Nc1ccc(Cl)c(Cl)c1 ZINC000013302956 560805826 /nfs/dbraw/zinc/80/58/26/560805826.db2.gz VVESXDXKQLUTAW-CCHVVGMOSA-N 0 0 417.174 6.056 40 0 HKABRN Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)Nc5ccc(Cl)c(Cl)c5)(C4)C2)C3)cc1 ZINC000013302959 569410663 /nfs/dbraw/zinc/41/06/63/569410663.db2.gz GPNIHGRGTASSFK-UPFYTXMWSA-N 0 0 414.376 6.779 40 0 HKABRN C/C=C(\C)[C@H](O)[C@@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1oc(OC)c(C)c(=O)c1C ZINC000013307921 560214119 /nfs/dbraw/zinc/21/41/19/560214119.db2.gz PFVSUJLJFXJPMF-SDTDDJCHSA-N 0 0 400.559 5.610 40 0 biogenic,in-vitro HKABRN C/C=C(\C)[C@@H](O)[C@@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1oc(OC)c(C)c(=O)c1C ZINC000013307923 560214104 /nfs/dbraw/zinc/21/41/04/560214104.db2.gz PFVSUJLJFXJPMF-BKQGVWCKSA-N 0 0 400.559 5.610 40 0 biogenic,in-vitro HKABRN C/C=C(\C)[C@H](O)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1oc(OC)c(C)c(=O)c1C ZINC000013307925 560214102 /nfs/dbraw/zinc/21/41/02/560214102.db2.gz PFVSUJLJFXJPMF-DNSWMBNWSA-N 0 0 400.559 5.610 40 0 biogenic,in-vitro HKABRN C/C=C(\C)[C@@H](O)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1oc(OC)c(C)c(=O)c1C ZINC000013307927 560214092 /nfs/dbraw/zinc/21/40/92/560214092.db2.gz PFVSUJLJFXJPMF-BXXOMZBZSA-N 0 0 400.559 5.610 40 0 biogenic,in-vitro HKABRN CCCCCCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000013362211 558530512 /nfs/dbraw/zinc/53/05/12/558530512.db2.gz HHENOUDBWKNPAB-VZDBEYJMSA-N 0 0 400.603 6.401 40 0 HKABRN Brc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 ZINC000013370396 558530936 /nfs/dbraw/zinc/53/09/36/558530936.db2.gz KXYPXPRXGIIEDN-UHFFFAOYSA-N 0 0 422.347 7.063 40 0 HKABRN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000013370549 560806032 /nfs/dbraw/zinc/80/60/32/560806032.db2.gz UEEUCAFSCMDHKM-VZUCSPMQSA-N 0 0 423.299 6.762 40 0 HKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000013371947 569000307 /nfs/dbraw/zinc/00/03/07/569000307.db2.gz TVKWRLGYORGZLB-UHFFFAOYSA-N 0 0 414.313 7.253 40 0 HKABRN COc1ccccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000013372389 569000343 /nfs/dbraw/zinc/00/03/43/569000343.db2.gz KTZZOFDUDHMSFQ-UHFFFAOYSA-N 0 0 423.299 6.470 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)c(C)c1 ZINC000013372396 569000288 /nfs/dbraw/zinc/00/02/88/569000288.db2.gz GLTVUGPZFKYISC-UHFFFAOYSA-N 0 0 421.327 7.078 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)c3ccccc3n2)c(C)c1 ZINC000013372397 569000266 /nfs/dbraw/zinc/00/02/66/569000266.db2.gz SBAMTYGTZXSHIL-UHFFFAOYSA-N 0 0 421.327 7.078 40 0 HKABRN Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)c(Br)c1 ZINC000013372401 560806031 /nfs/dbraw/zinc/80/60/31/560806031.db2.gz FULSFZRFGAQQRY-UHFFFAOYSA-N 0 0 417.306 6.225 40 0 HKABRN O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000013381951 569000550 /nfs/dbraw/zinc/00/05/50/569000550.db2.gz MEISOTREYQSVKW-UHFFFAOYSA-N 0 0 423.303 5.558 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1 ZINC000013381973 569000452 /nfs/dbraw/zinc/00/04/52/569000452.db2.gz RPYJVFXFBFEQSD-UHFFFAOYSA-N 0 0 421.327 7.078 40 0 HKABRN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000013387923 560806189 /nfs/dbraw/zinc/80/61/89/560806189.db2.gz VUKOZONDWBTURF-UHFFFAOYSA-N 0 0 420.468 6.326 40 0 HKABRN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)CC[C@H]3c2ccccc2)cc1 ZINC000013387927 560806174 /nfs/dbraw/zinc/80/61/74/560806174.db2.gz QLBWEDTZLSUCNV-UCDDGIFISA-N 0 0 411.501 5.162 40 0 HKABRN Clc1ccc(CSc2nnc(COc3cccc4ccccc43)o2)c(Cl)c1 ZINC000013388741 560806217 /nfs/dbraw/zinc/80/62/17/560806217.db2.gz RDFPYLZHLWOLKX-UHFFFAOYSA-N 0 0 417.317 6.401 40 0 HKABRN Cc1sc2ncnc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)c2c1C ZINC000013399863 560806220 /nfs/dbraw/zinc/80/62/20/560806220.db2.gz CJIUTXGWNOZLIE-UHFFFAOYSA-N 0 0 421.547 5.831 40 0 HKABRN CC(=O)O[C@H](C)[C@]1(C)CCC2=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C[C@H](OC(C)=O)CC[C@@]12C ZINC000013401370 558531570 /nfs/dbraw/zinc/53/15/70/558531570.db2.gz PFGGRDCYFHNFSS-IARRXIPVSA-N 0 0 416.602 5.983 40 0 HKABRN C(=C1\c2ccccc2[C@H]2[C@@H]1O[C@H]1/C(=C\c3ccccc3)c3ccccc3[C@@H]12)\c1ccccc1 ZINC000013402559 558531545 /nfs/dbraw/zinc/53/15/45/558531545.db2.gz QTCLDESTKURNLW-NIDBGKFRSA-N 0 0 424.543 7.430 40 0 HKABRN C[C@@H](OC(=O)Nc1ccccc1)c1cccc([C@H](C)OC(=O)Nc2ccccc2)c1 ZINC000013402578 558531710 /nfs/dbraw/zinc/53/17/10/558531710.db2.gz MSZCLYCQZRSVME-HDICACEKSA-N 0 0 404.466 6.306 40 0 HKABRN CC[C@](C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)(C(=O)c1ccccc1)c1ccccc1 ZINC000013406104 558531648 /nfs/dbraw/zinc/53/16/48/558531648.db2.gz WIASCYIKGZAQQR-VYRPMTAESA-N 0 0 406.566 6.221 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013407560 569357003 /nfs/dbraw/zinc/35/70/03/569357003.db2.gz VUCDSTCRVYGRSG-PCIWMJJESA-N 0 0 400.647 6.568 40 0 HKABRN COc1ccc(C2=CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@@H](OC(C)=O)CC[C@H]5[C@@H]4CC[C@H]3C2)cc1 ZINC000013408904 569357076 /nfs/dbraw/zinc/35/70/76/569357076.db2.gz KXXIKUQRERCHIS-WHLBUSHHSA-N 0 0 422.609 6.663 40 0 HKABRN COc1ccc(C2=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)cc1 ZINC000013408907 558531906 /nfs/dbraw/zinc/53/19/06/558531906.db2.gz KXXIKUQRERCHIS-YFJYPRTLSA-N 0 0 422.609 6.663 40 0 HKABRN COc1ccc(C2=CC[C@]3(C)[C@@H]4CC[C@@]5(C)[C@H](CC[C@@H]5OC(C)=O)[C@@H]4CC[C@H]3C2)cc1 ZINC000013408911 558531971 /nfs/dbraw/zinc/53/19/71/558531971.db2.gz KXXIKUQRERCHIS-PMKCFLTCSA-N 0 0 422.609 6.663 40 0 HKABRN CC(C)CCC[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 ZINC000013409005 558531998 /nfs/dbraw/zinc/53/19/98/558531998.db2.gz YMMFNKXZULYSOQ-QCEIVMJQSA-N 0 0 420.678 5.554 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000013409013 558531875 /nfs/dbraw/zinc/53/18/75/558531875.db2.gz MHYKVQQPBSKDET-YEPJLRJBSA-N 0 0 418.706 6.830 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C[C@@H](C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000013409021 558531865 /nfs/dbraw/zinc/53/18/65/558531865.db2.gz MHYKVQQPBSKDET-SSMQBEIBSA-N 0 0 418.706 6.830 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC(=O)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000013409036 558531976 /nfs/dbraw/zinc/53/19/76/558531976.db2.gz GVAODFIKHWYQPE-JHGVQUDRSA-N 0 0 416.646 5.971 40 0 HKABRN CC[C@@H]1[C@@H](c2ccccc2)O[C@@](O)(c2ccccc2)[C@H](CC)[C@]1(O)c1ccccc1 ZINC000013409732 558531924 /nfs/dbraw/zinc/53/19/24/558531924.db2.gz RESUPJVANKPOGK-XCRFIODOSA-N 0 0 402.534 5.543 40 0 HKABRN CC[C@@H]1[C@@H](c2ccccc2)O[C@](O)(c2ccccc2)[C@H](CC)[C@]1(O)c1ccccc1 ZINC000013409736 558531942 /nfs/dbraw/zinc/53/19/42/558531942.db2.gz RESUPJVANKPOGK-KUDLYRENSA-N 0 0 402.534 5.543 40 0 HKABRN CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000013423819 574413249 /nfs/dbraw/zinc/41/32/49/574413249.db2.gz QQWIMVRGPKFDGM-SOGJZFECSA-N 0 0 424.713 8.543 40 0 endogenous,in-man HKABRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CCCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000013423850 560216595 /nfs/dbraw/zinc/21/65/95/560216595.db2.gz HKHHYUSFWJROEJ-XNENPYOKSA-N 0 0 404.679 6.584 40 0 biogenic,in-vitro HKABRN Fc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1c1ccc(Cl)c(Cl)c1 ZINC000013424534 560811216 /nfs/dbraw/zinc/81/12/16/560811216.db2.gz POEKOCMKRGWACT-NRFANRHFSA-N 0 0 419.714 7.142 40 0 HKABRN Fc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1c1ccc(Cl)c(Cl)c1 ZINC000013424535 560811242 /nfs/dbraw/zinc/81/12/42/560811242.db2.gz POEKOCMKRGWACT-OAQYLSRUSA-N 0 0 419.714 7.142 40 0 HKABRN Fc1ccc(C2=NN(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3Cl)C2)cc1 ZINC000013424670 558532410 /nfs/dbraw/zinc/53/24/10/558532410.db2.gz BPOYZQBFRCVADD-OAQYLSRUSA-N 0 0 419.714 7.142 40 0 HKABRN Fc1ccc(C2=NN(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3Cl)C2)cc1 ZINC000013424671 558532331 /nfs/dbraw/zinc/53/23/31/558532331.db2.gz BPOYZQBFRCVADD-NRFANRHFSA-N 0 0 419.714 7.142 40 0 HKABRN COc1ccc([C@@H]2OC[C@@]3(COC(=O)Nc4ccccc4)[C@@H](C)C=C(C)[C@@H]2[C@@H]3C)cc1 ZINC000013424922 569326753 /nfs/dbraw/zinc/32/67/53/569326753.db2.gz OGCHLIHOPGTPPY-VRLJXTJWSA-N 0 0 421.537 5.850 40 0 HKABRN COc1ccc([C@H]2OC[C@@]3(COC(=O)Nc4ccccc4)[C@@H](C)C=C(C)[C@@H]2[C@@H]3C)cc1 ZINC000013424923 569326826 /nfs/dbraw/zinc/32/68/26/569326826.db2.gz OGCHLIHOPGTPPY-LJEOTMSQSA-N 0 0 421.537 5.850 40 0 HKABRN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000013426346 560811382 /nfs/dbraw/zinc/81/13/82/560811382.db2.gz ULNUUSRBFWWGNO-QLFBSQMISA-N 0 0 423.504 5.433 40 0 HKABRN CCCCOc1ccc([C@H](O)CCCC[C@H](O)c2ccc(OCCCC)cc2)cc1 ZINC000013475726 560811003 /nfs/dbraw/zinc/81/10/03/560811003.db2.gz OLBQEBCWCIGCCI-WMPKNSHKSA-N 0 0 414.586 6.372 40 0 HKABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccccc4)n21)CC[C@H](C)C3 ZINC000013499765 560811721 /nfs/dbraw/zinc/81/17/21/560811721.db2.gz IRNQVPQPHQTCTI-ZDUSSCGKSA-N 0 0 422.579 5.001 40 0 HKABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccccc4)n21)CC[C@@H](C)C3 ZINC000013499766 560811707 /nfs/dbraw/zinc/81/17/07/560811707.db2.gz IRNQVPQPHQTCTI-CYBMUJFWSA-N 0 0 422.579 5.001 40 0 HKABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(C)cc4)n21)CCCC3 ZINC000013499896 560811690 /nfs/dbraw/zinc/81/16/90/560811690.db2.gz DXLPLZRVFMQIDE-UHFFFAOYSA-N 0 0 422.579 5.064 40 0 HKABRN COc1ccc(CNc2c(-c3ccc(OC)c(OC)c3)nc3ccc(Cl)cn32)cc1 ZINC000013502014 560812552 /nfs/dbraw/zinc/81/25/52/560812552.db2.gz YNKIHCKVPRVYQK-UHFFFAOYSA-N 0 0 423.900 5.293 40 0 HKABRN COc1ccc(C2=NNC(c3cccs3)=Nc3ccc(OC(F)(F)F)cc32)cc1 ZINC000013503424 560812489 /nfs/dbraw/zinc/81/24/89/560812489.db2.gz ISNMWACCIYZKNE-UHFFFAOYSA-N 0 0 417.412 5.089 40 0 HKABRN COc1ccc2cc3c(N)c(C(=O)Nc4ccccc4C(F)(F)F)sc3nc2c1 ZINC000013503441 560812663 /nfs/dbraw/zinc/81/26/63/560812663.db2.gz GRRTVFFDHUZIDE-UHFFFAOYSA-N 0 0 417.412 5.311 40 0 HKABRN CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000013503562 560812643 /nfs/dbraw/zinc/81/26/43/560812643.db2.gz XEBFHMPQTMNIGD-UHFFFAOYSA-N 0 0 420.456 5.555 40 0 HKABRN CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000013503571 560812671 /nfs/dbraw/zinc/81/26/71/560812671.db2.gz QHWPZKQLBRFIOI-UHFFFAOYSA-N 0 0 420.456 5.555 40 0 HKABRN c1ccc(C2=NN3C(c4ccccc4)=C[C@@H](c4ccccc4)[C@@H]4CCCC[C@@]43O2)cc1 ZINC000013509582 569041420 /nfs/dbraw/zinc/04/14/20/569041420.db2.gz ZJXHXEHIKDXOSE-PNIUZAESSA-N 0 0 406.529 6.405 40 0 HKABRN c1ccc(C2=NN3C(c4ccccc4)=C[C@H](c4ccccc4)[C@@H]4CCCC[C@@]43O2)cc1 ZINC000013509588 569041415 /nfs/dbraw/zinc/04/14/15/569041415.db2.gz ZJXHXEHIKDXOSE-CERRFVOPSA-N 0 0 406.529 6.405 40 0 HKABRN CC1(C)C[C@@]23Oc4ccccc4N2C(c2ccccc2)=C[C@H](c2ccccc2)[C@@H]3CO1 ZINC000013510478 560811923 /nfs/dbraw/zinc/81/19/23/560811923.db2.gz FVYWBKDBHKJWES-IWHLBADBSA-N 0 0 409.529 6.235 40 0 HKABRN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C)n1-c1ccc(F)cc1 ZINC000013512011 560812006 /nfs/dbraw/zinc/81/20/06/560812006.db2.gz BBXLXSIDXZPMEU-UHFFFAOYSA-N 0 0 422.485 5.014 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013512015 569051298 /nfs/dbraw/zinc/05/12/98/569051298.db2.gz YGJKELZDRWFHOR-POBUXQGNSA-N 0 0 404.679 6.584 40 0 HKABRN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2Cl)n1-c1ccccc1 ZINC000013512279 560812036 /nfs/dbraw/zinc/81/20/36/560812036.db2.gz SYQYLNCJLGWKJF-UHFFFAOYSA-N 0 0 424.913 5.220 40 0 HKABRN CCCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccoc1C ZINC000013512469 560812055 /nfs/dbraw/zinc/81/20/55/560812055.db2.gz HIDYICFORFLGES-UHFFFAOYSA-N 0 0 424.448 5.006 40 0 HKABRN O=C(CSc1ncnc2c(-c3ccc(Cl)cc3)nsc21)OC1CCCCC1 ZINC000013512698 558535806 /nfs/dbraw/zinc/53/58/06/558535806.db2.gz XQOPOTKDNAOHAA-UHFFFAOYSA-N 0 0 419.959 5.375 40 0 HKABRN CC[C@H](/C=C\[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)C(C)C ZINC000013522878 569052014 /nfs/dbraw/zinc/05/20/14/569052014.db2.gz HCXVJBMSMIARIN-SRASCVNLSA-N 0 0 412.702 7.801 40 0 HKABRN CC[C@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000013527856 569344860 /nfs/dbraw/zinc/34/48/60/569344860.db2.gz JZVFJDZBLUFKCA-GXKCAXLPSA-N 0 0 412.702 7.801 40 0 HKABRN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000013534073 560812432 /nfs/dbraw/zinc/81/24/32/560812432.db2.gz NLWDOMSFXVUOIB-MOSHPQCFSA-N 0 0 410.256 6.130 40 0 HKABRN Cc1nn(-c2ccccc2)c2sc(-c3nnc(S)n3CCc3ccccc3)cc12 ZINC000013535209 560812520 /nfs/dbraw/zinc/81/25/20/560812520.db2.gz FGPNAZCRAJGORN-UHFFFAOYSA-N 0 0 417.563 5.185 40 0 HKABRN CC[C@@H](/C=C\[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)C(C)C ZINC000013537542 569051990 /nfs/dbraw/zinc/05/19/90/569051990.db2.gz HCXVJBMSMIARIN-HJHNAFNOSA-N 0 0 412.702 7.801 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013542555 560815486 /nfs/dbraw/zinc/81/54/86/560815486.db2.gz DASOUCLGLBPXLC-HMYOJTDCSA-N 0 0 414.718 8.025 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000013543186 558842534 /nfs/dbraw/zinc/84/25/34/558842534.db2.gz HHVQPBXBALLUDF-QORHGLQKSA-N 0 0 418.662 5.618 40 0 endogenous,in-man HKABRN Cc1ccc(COc2cccc(C(=S)N3CCN(c4ccc(F)cc4)CC3)c2)cc1 ZINC000013546986 132456473 /nfs/dbraw/zinc/45/64/73/132456473.db2.gz ULXJIGAXKHJEDR-UHFFFAOYSA-N 0 0 420.553 5.211 40 0 HKABRN Cc1ccc(COc2cccc(/C=C3\NC(=S)N(c4ccccc4C)C3=O)c2)cc1 ZINC000013547040 558538034 /nfs/dbraw/zinc/53/80/34/558538034.db2.gz UZWYJMVSDBROQK-JCMHNJIXSA-N 0 0 414.530 5.145 40 0 HKABRN Cc1ccc(COc2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000013547797 558538350 /nfs/dbraw/zinc/53/83/50/558538350.db2.gz BFJLZRGSMVRSDP-UHFFFAOYSA-N 0 0 416.590 5.067 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](O)CC[C@]5(C)[C@H]3CC[C@]12C ZINC000013548577 560815491 /nfs/dbraw/zinc/81/54/91/560815491.db2.gz PRYIJAGAEJZDBO-OYYOEVTJSA-N 0 0 402.663 6.600 40 0 HKABRN O=C(C[C@@H](Nc1ccccc1)c1ccccc1)C[C@H](Nc1ccccc1)c1ccccc1 ZINC000013549412 560815482 /nfs/dbraw/zinc/81/54/82/560815482.db2.gz MBOMYSAVROKLDC-ISILISOKSA-N 0 0 420.556 7.043 40 0 HKABRN CCOc1ccc(C=C2SC(=O)NC2=O)cc1OCc1ccc(Cl)cc1Cl ZINC000013551641 560815594 /nfs/dbraw/zinc/81/55/94/560815594.db2.gz ZPFWXVHPXHAXKP-CAOOACKPSA-N 0 0 424.305 5.295 40 0 HKABRN COc1ccc2[nH]c(=O)c(CNc3ccc(-c4nc5cc(C)ccc5[nH]4)cc3)cc2c1 ZINC000013561302 560815732 /nfs/dbraw/zinc/81/57/32/560815732.db2.gz AGJMRIKEGCYFHS-UHFFFAOYSA-N 0 0 410.477 5.001 40 0 HKABRN COc1ccc(-c2ccnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2)cc1 ZINC000013561651 560815895 /nfs/dbraw/zinc/81/58/95/560815895.db2.gz IDSZBEAYHJOLDA-UHFFFAOYSA-N 0 0 420.321 5.190 40 0 HKABRN CC(C)c1ccc(NC(=O)CSc2nc(-c3ccccc3F)nc3[nH]cnc32)cc1 ZINC000013561665 560815919 /nfs/dbraw/zinc/81/59/19/560815919.db2.gz LAVDVVFRAAVHHU-UHFFFAOYSA-N 0 0 421.501 5.013 40 0 aggregator HKABRN Cc1sc(NC2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1 ZINC000013561925 560815932 /nfs/dbraw/zinc/81/59/32/560815932.db2.gz OZUYWUUFPRLTAD-UHFFFAOYSA-N 0 0 423.626 6.333 40 0 HKABRN CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000013562326 558540530 /nfs/dbraw/zinc/54/05/30/558540530.db2.gz WSQCTQFTERXMRY-DDOAZUFRSA-N 0 0 423.512 5.328 40 0 HKABRN C[C@@H]1C[C@H](C)CN(c2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn32)C1 ZINC000013562712 132456867 /nfs/dbraw/zinc/45/68/67/132456867.db2.gz CKMJQVOTLMVOEC-HDICACEKSA-N 0 0 400.501 5.685 40 0 HKABRN C[C@@H]1C[C@H](C)CN(c2cc(-c3ccccc3)nc3cc(-c4ccc(Cl)cc4)nn32)C1 ZINC000013562724 132456869 /nfs/dbraw/zinc/45/68/69/132456869.db2.gz YQJQWKJRHYIYIP-HDICACEKSA-N 0 0 416.956 6.199 40 0 HKABRN C[C@@H]1C[C@H](C)CN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn32)C1 ZINC000013562745 132456821 /nfs/dbraw/zinc/45/68/21/132456821.db2.gz SRFANEDEAKQHCV-HDICACEKSA-N 0 0 400.501 5.685 40 0 HKABRN COc1cccc(-c2cc3nc(-c4ccccc4)cc(N4C[C@H](C)C[C@H](C)C4)n3n2)c1 ZINC000013562757 537064495 /nfs/dbraw/zinc/06/44/95/537064495.db2.gz CSYWTDMTPFYAKF-KDURUIRLSA-N 0 0 412.537 5.554 40 0 HKABRN O=c1oc(/C=C/c2ccc(/C=C/c3nc4ccccc4c(=O)o3)cc2)nc2ccccc21 ZINC000013562994 558540532 /nfs/dbraw/zinc/54/05/32/558540532.db2.gz BTHYRKJWKVBDRC-WXUKJITCSA-N 0 0 420.424 5.030 40 0 HKABRN CCCCN(C(=O)COc1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)s1 ZINC000013563261 560816207 /nfs/dbraw/zinc/81/62/07/560816207.db2.gz QOWDEKYOITXHNR-UHFFFAOYSA-N 0 0 419.909 5.210 40 0 HKABRN O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(\SCc1ccccc1)N1CCCCC1 ZINC000013563563 560816302 /nfs/dbraw/zinc/81/63/02/560816302.db2.gz JMPXJKIBJJUVFW-PEZBUJJGSA-N 0 0 407.750 5.737 40 0 HKABRN Cc1cccc2cc3c(nc12)OCCN(CCC(c1ccccc1)c1ccccc1)C3 ZINC000013563771 560816299 /nfs/dbraw/zinc/81/62/99/560816299.db2.gz RPDXJHPDFSGTAB-UHFFFAOYSA-N 0 0 408.545 5.960 40 0 HKABRN Cc1ccc(C)c2nc3c(cc12)CN(CCC(c1ccccc1)c1ccccc1)CCO3 ZINC000013563782 558540738 /nfs/dbraw/zinc/54/07/38/558540738.db2.gz MAPPRMAOCIEZRJ-UHFFFAOYSA-N 0 0 422.572 6.268 40 0 HKABRN Cc1ccc2cc3c(nc2c1C)OCCN(CCc1ccc(-c2ccccc2)cc1)C3 ZINC000013563802 560816309 /nfs/dbraw/zinc/81/63/09/560816309.db2.gz CJQCKCMLNWZPTL-UHFFFAOYSA-N 0 0 408.545 5.956 40 0 HKABRN Cc1ccc2cc3c(nc2c1C)OCCN(CCC(c1ccccc1)c1ccccc1)C3 ZINC000013563805 560816293 /nfs/dbraw/zinc/81/62/93/560816293.db2.gz CQGLZWCODVEIJB-UHFFFAOYSA-N 0 0 422.572 6.268 40 0 HKABRN Cc1cc(C)c2nc3c(cc2c1)CN(CCc1ccc(-c2ccccc2)cc1)CCO3 ZINC000013563813 560816332 /nfs/dbraw/zinc/81/63/32/560816332.db2.gz WPEUKWYJQKPGMM-UHFFFAOYSA-N 0 0 408.545 5.956 40 0 HKABRN CC[C@@H]1CN(Cc2ccccc2)Cc2cc3cccc(Cc4ccccc4)c3nc2O1 ZINC000013563875 560816312 /nfs/dbraw/zinc/81/63/12/560816312.db2.gz UOQCIPNRRTWTDY-AREMUKBSSA-N 0 0 408.545 5.999 40 0 HKABRN CC[C@H]1CN(Cc2ccccc2)Cc2cc3cccc(Cc4ccccc4)c3nc2O1 ZINC000013563876 560816305 /nfs/dbraw/zinc/81/63/05/560816305.db2.gz UOQCIPNRRTWTDY-SANMLTNESA-N 0 0 408.545 5.999 40 0 HKABRN CCOc1ccc(OCC)c2nc3c(cc12)CN(Cc1ccccc1)C[C@H](CC)O3 ZINC000013563879 560816328 /nfs/dbraw/zinc/81/63/28/560816328.db2.gz QRIVUDSBIADMNI-FQEVSTJZSA-N 0 0 406.526 5.205 40 0 HKABRN CCOc1ccc(OCC)c2nc3c(cc12)CN(Cc1ccccc1)C[C@@H](CC)O3 ZINC000013563880 560816323 /nfs/dbraw/zinc/81/63/23/560816323.db2.gz QRIVUDSBIADMNI-HXUWFJFHSA-N 0 0 406.526 5.205 40 0 HKABRN Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNc4ccc(F)cc4)cc23)cc1 ZINC000013564704 560813166 /nfs/dbraw/zinc/81/31/66/560813166.db2.gz NUMXAXXFGKEJPG-UHFFFAOYSA-N 0 0 424.479 5.440 40 0 HKABRN Cc1ccc(NCc2cc3c(-c4ccc(F)cc4)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000013564717 560813179 /nfs/dbraw/zinc/81/31/79/560813179.db2.gz PZYUWIDGVTVJPQ-UHFFFAOYSA-N 0 0 424.479 5.440 40 0 HKABRN O=c1[nH]c2c(cc1CNc1ccccc1)c(-c1cccc(F)c1)nn2-c1ccccc1 ZINC000013564743 560813189 /nfs/dbraw/zinc/81/31/89/560813189.db2.gz ODYFCTCOAXUGKZ-UHFFFAOYSA-N 0 0 410.452 5.132 40 0 HKABRN Cc1sc(NC2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C ZINC000013565772 560813400 /nfs/dbraw/zinc/81/34/00/560813400.db2.gz IIXSCIHGOQCNRC-UHFFFAOYSA-N 0 0 411.615 6.188 40 0 HKABRN Cc1nnc2sc(-c3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3)nn12 ZINC000013566136 560813562 /nfs/dbraw/zinc/81/35/62/560813562.db2.gz YHHPVCGWOPQVFK-UHFFFAOYSA-N 0 0 419.897 5.220 40 0 HKABRN Cc1cccc(OCCCCn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000013566141 560813462 /nfs/dbraw/zinc/81/34/62/560813462.db2.gz VQDKJHUNHSVGHB-FQEVSTJZSA-N 0 0 419.569 5.318 40 0 HKABRN Cc1cccc(OCCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000013566142 560813561 /nfs/dbraw/zinc/81/35/61/560813561.db2.gz VQDKJHUNHSVGHB-HXUWFJFHSA-N 0 0 419.569 5.318 40 0 HKABRN O=C(CSc1nnc(-c2cccs2)c(-c2cccs2)n1)c1ccc(F)cc1 ZINC000013566450 560813657 /nfs/dbraw/zinc/81/36/57/560813657.db2.gz NUZZOXPTNBMFBW-UHFFFAOYSA-N 0 0 413.524 5.443 40 0 HKABRN Cc1ccc(C(=O)CSc2nnc(-c3cccs3)c(-c3cccs3)n2)cc1C ZINC000013566457 560813684 /nfs/dbraw/zinc/81/36/84/560813684.db2.gz WBOIRWPRONVTQT-UHFFFAOYSA-N 0 0 423.588 5.920 40 0 HKABRN O=C1c2ccccc2CC[C@@H]1Sc1nnc(-c2cccs2)c(-c2cccs2)n1 ZINC000013566464 560813663 /nfs/dbraw/zinc/81/36/63/560813663.db2.gz VDDYCBFADMEXGA-KRWDZBQOSA-N 0 0 421.572 5.618 40 0 HKABRN O=C1c2ccccc2CC[C@H]1Sc1nnc(-c2cccs2)c(-c2cccs2)n1 ZINC000013566465 560813680 /nfs/dbraw/zinc/81/36/80/560813680.db2.gz VDDYCBFADMEXGA-QGZVFWFLSA-N 0 0 421.572 5.618 40 0 HKABRN Cc1ccc(C(=O)CSc2nnc(-c3cccs3)c(-c3cccs3)n2)c(C)c1 ZINC000013566474 560813773 /nfs/dbraw/zinc/81/37/73/560813773.db2.gz VZQIHXBXSISKFE-UHFFFAOYSA-N 0 0 423.588 5.920 40 0 HKABRN O=C(CSc1nnc(-c2ccsc2)c(-c2ccsc2)n1)c1ccc(F)cc1 ZINC000013568452 560814182 /nfs/dbraw/zinc/81/41/82/560814182.db2.gz WBQVZGAIGFKVCO-UHFFFAOYSA-N 0 0 413.524 5.443 40 0 HKABRN CCc1ccc(CN(Cc2c(C)nn(Cc3ccccc3)c2C)Cc2cccnc2)cc1 ZINC000013569099 560814186 /nfs/dbraw/zinc/81/41/86/560814186.db2.gz RHAMEHNRBRTITK-UHFFFAOYSA-N 0 0 424.592 5.708 40 0 HKABRN Cc1nn(Cc2ccccc2)c(C)c1CN(Cc1cccs1)Cc1cccnc1 ZINC000013569738 560814385 /nfs/dbraw/zinc/81/43/85/560814385.db2.gz UQNFZVMUHPOTHA-UHFFFAOYSA-N 0 0 402.567 5.207 40 0 HKABRN Cc1cc(C(=O)CSc2nnc(-c3ccoc3)c(-c3ccoc3)n2)c(C)n1C1CC1 ZINC000013570069 560814339 /nfs/dbraw/zinc/81/43/39/560814339.db2.gz VXALESZVZDBSGR-UHFFFAOYSA-N 0 0 420.494 5.120 40 0 HKABRN COc1ccc(CN(Cc2ccncc2)Cc2ccc3cccc(Cl)c3n2)cc1 ZINC000013570265 560814307 /nfs/dbraw/zinc/81/43/07/560814307.db2.gz JPYJTGQNFRRYGV-UHFFFAOYSA-N 0 0 403.913 5.494 40 0 HKABRN O=C(NCC(c1ccccc1)c1ccccc1)N1c2ccccc2Sc2ccccc21 ZINC000013574398 558543062 /nfs/dbraw/zinc/54/30/62/558543062.db2.gz MMQRQUGKZUTNKP-UHFFFAOYSA-N 0 0 422.553 6.831 40 0 HKABRN O=C(N1CCN(/C=C/c2ccccc2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000013574438 558543069 /nfs/dbraw/zinc/54/30/69/558543069.db2.gz CGBKBDUXYOXIOT-CCEZHUSRSA-N 0 0 413.546 5.698 40 0 HKABRN Cc1ccc(N2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)c(C)c1 ZINC000013574459 558543004 /nfs/dbraw/zinc/54/30/04/558543004.db2.gz FTAKPNHEEZUGAB-UHFFFAOYSA-N 0 0 415.562 5.848 40 0 HKABRN O=C(NCc1ccccc1C(F)(F)F)N1c2ccccc2Sc2ccccc21 ZINC000013574553 558543178 /nfs/dbraw/zinc/54/31/78/558543178.db2.gz WYRJRHQUESUZON-UHFFFAOYSA-N 0 0 400.425 6.218 40 0 HKABRN Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1C ZINC000013577143 558543851 /nfs/dbraw/zinc/54/38/51/558543851.db2.gz KELPOJPJNQMGFZ-AYEHBTSNSA-N 0 0 407.513 5.546 40 0 HKABRN O=C(Nc1ccc(I)cc1)C1[C@@H]2CCC[C@H]1C2c1ccccc1 ZINC000013590659 558545958 /nfs/dbraw/zinc/54/59/58/558545958.db2.gz OTSKROMRNIVCFM-LPOKXYRGSA-N 0 0 417.290 5.060 40 0 HKABRN Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cccc(Br)c3)c2c1 ZINC000013590753 560817320 /nfs/dbraw/zinc/81/73/20/560817320.db2.gz RATYGUOKHSFBGE-UHFFFAOYSA-N 0 0 417.306 6.225 40 0 HKABRN O=C(N/C(=C\c1cccc(Br)c1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000013590823 560817315 /nfs/dbraw/zinc/81/73/15/560817315.db2.gz LXPFNVNPIYWCJT-ZHZULCJRSA-N 0 0 418.294 5.254 40 0 HKABRN CCCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000013590891 560817343 /nfs/dbraw/zinc/81/73/43/560817343.db2.gz CLNXQQQSJMXFRT-TXFWVUOCSA-N 0 0 423.512 5.262 40 0 HKABRN CC[C@@H](C)C(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccco2)c2ccccc21 ZINC000013592690 560817327 /nfs/dbraw/zinc/81/73/27/560817327.db2.gz NRNRYUUUBITFNB-DNVFCKCGSA-N 0 0 416.521 5.839 40 0 HKABRN CC[C@@H](C)C(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccco2)c2ccccc21 ZINC000013592694 560817333 /nfs/dbraw/zinc/81/73/33/560817333.db2.gz NRNRYUUUBITFNB-PWHSHALESA-N 0 0 416.521 5.839 40 0 HKABRN O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013595810 558547161 /nfs/dbraw/zinc/54/71/61/558547161.db2.gz XUNYDWQSOMVUBZ-UHFFFAOYSA-N 0 0 420.243 5.619 40 0 HKABRN CCOc1cc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)cc(Cl)c1OCC ZINC000013602160 560824955 /nfs/dbraw/zinc/82/49/55/560824955.db2.gz CFHNYFUXNNGDNF-MOSHPQCFSA-N 0 0 421.880 5.635 40 0 HKABRN O=C(Nc1ccc(Br)cc1F)c1ccccc1SCc1ccccc1 ZINC000013608706 560823651 /nfs/dbraw/zinc/82/36/51/560823651.db2.gz WBLCYYDVVQHONA-UHFFFAOYSA-N 0 0 416.315 6.133 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1SCc1ccccc1 ZINC000013608713 558548044 /nfs/dbraw/zinc/54/80/44/558548044.db2.gz UNBDKWVBWJKTDQ-UHFFFAOYSA-N 0 0 421.871 6.903 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCCCC2)cc1Cl ZINC000013609512 558548313 /nfs/dbraw/zinc/54/83/13/558548313.db2.gz QJFXRQOOANXVKA-UHFFFAOYSA-N 0 0 424.928 5.290 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(F)c2)cc1Cl ZINC000013609559 558548309 /nfs/dbraw/zinc/54/83/09/558548309.db2.gz CBDPVADSFBOIBM-UHFFFAOYSA-N 0 0 422.843 5.229 40 0 HKABRN CCCC[C@@H](CC)C(=O)Oc1cc(-c2ccccc2)nn1-c1nc2ccccc2[nH]1 ZINC000013611081 558548512 /nfs/dbraw/zinc/54/85/12/558548512.db2.gz XYJHNPRQVRDXGY-QGZVFWFLSA-N 0 0 402.498 5.537 40 0 HKABRN CCCC[C@H](CC)C(=O)Oc1cc(-c2ccccc2)nn1-c1nc2ccccc2[nH]1 ZINC000013611084 558548577 /nfs/dbraw/zinc/54/85/77/558548577.db2.gz XYJHNPRQVRDXGY-KRWDZBQOSA-N 0 0 402.498 5.537 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 ZINC000013612046 558548754 /nfs/dbraw/zinc/54/87/54/558548754.db2.gz DRJJERFWOJLXLB-UHFFFAOYSA-N 0 0 403.956 5.742 40 0 HKABRN O=S(=O)(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc2ccccc2c1 ZINC000013612966 558549000 /nfs/dbraw/zinc/54/90/00/558549000.db2.gz NXPABPOUGHOHLF-UHFFFAOYSA-N 0 0 421.493 5.036 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000013613260 558549246 /nfs/dbraw/zinc/54/92/46/558549246.db2.gz SEEGFVVSGCQPKM-LJQANCHMSA-N 0 0 403.591 6.767 40 0 HKABRN C[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000013613263 558549202 /nfs/dbraw/zinc/54/92/02/558549202.db2.gz SEEGFVVSGCQPKM-IBGZPJMESA-N 0 0 403.591 6.767 40 0 HKABRN O=C(Nc1cc2c3c(c1)[C@H]1CCC[C@H]1CN3C[C@@H]1CCC[C@@H]21)c1ccc(Cl)cc1 ZINC000013614978 569326716 /nfs/dbraw/zinc/32/67/16/569326716.db2.gz XEGWPHFMPASJSA-IDPBPBMLSA-N 0 0 406.957 6.193 40 0 HKABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1 ZINC000013615398 560823953 /nfs/dbraw/zinc/82/39/53/560823953.db2.gz QZMQBUKDDIGWNH-SNVBAGLBSA-N 0 0 417.699 5.064 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)cc1 ZINC000013620076 558550058 /nfs/dbraw/zinc/55/00/58/558550058.db2.gz DSBVRNYDUCMWHC-UHFFFAOYSA-N 0 0 400.522 5.808 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)COc3ccccc3)c2)cc1 ZINC000013625473 560825364 /nfs/dbraw/zinc/82/53/64/560825364.db2.gz WHDSASDOLGFNPA-UHFFFAOYSA-N 0 0 402.494 5.254 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)Nc3ccccc3)c2)cc1 ZINC000013628081 558551498 /nfs/dbraw/zinc/55/14/98/558551498.db2.gz UXFDOTXQTFXROB-UHFFFAOYSA-N 0 0 403.551 6.045 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013628109 560825503 /nfs/dbraw/zinc/82/55/03/560825503.db2.gz RKMKSSYHMUTNMH-UHFFFAOYSA-N 0 0 402.494 5.497 40 0 HKABRN Cc1cccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000013628117 560825520 /nfs/dbraw/zinc/82/55/20/560825520.db2.gz UXXBLBGGOHBKMO-UHFFFAOYSA-N 0 0 416.521 5.562 40 0 HKABRN COc1ccc(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013628126 558551469 /nfs/dbraw/zinc/55/14/69/558551469.db2.gz ILOCIBKVGASNDY-UHFFFAOYSA-N 0 0 416.521 5.426 40 0 HKABRN Cc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013628213 558551527 /nfs/dbraw/zinc/55/15/27/558551527.db2.gz YRJHGCVFDCDFDS-SFQUDFHCSA-N 0 0 412.533 6.197 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013628297 560825533 /nfs/dbraw/zinc/82/55/33/560825533.db2.gz WPIQHTYSELHXSB-UHFFFAOYSA-N 0 0 416.521 5.887 40 0 HKABRN CCOc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000013628444 560825480 /nfs/dbraw/zinc/82/54/80/560825480.db2.gz JZVVMNMSWNHTTM-UHFFFAOYSA-N 0 0 416.521 5.887 40 0 HKABRN CC(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013628620 560825488 /nfs/dbraw/zinc/82/54/88/560825488.db2.gz MHLFREUZZWHXPL-UHFFFAOYSA-N 0 0 414.549 6.612 40 0 HKABRN CC(C)(C)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013628764 560825465 /nfs/dbraw/zinc/82/54/65/560825465.db2.gz AZVGXQRECKLESU-UHFFFAOYSA-N 0 0 411.571 5.096 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1 ZINC000013632785 521473117 /nfs/dbraw/zinc/47/31/17/521473117.db2.gz UPAJPXSVFBDBFR-UHFFFAOYSA-N 0 0 419.546 6.025 40 0 HKABRN Cn1c(/C=C(/OC(=O)c2ccccc2Cl)c2ccccc2Cl)nc2ccccc21 ZINC000013633435 560825809 /nfs/dbraw/zinc/82/58/09/560825809.db2.gz ZNDCYTPIGNXFEY-KGENOOAVSA-N 0 0 423.299 6.235 40 0 HKABRN O=C(/C=C/c1cc(Cl)ccc1Cl)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000013634340 560825873 /nfs/dbraw/zinc/82/58/73/560825873.db2.gz BJIVOFZMKSQFKV-VMPITWQZSA-N 0 0 423.752 6.346 40 0 HKABRN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OCCC(C)C)cc1 ZINC000013634715 558553265 /nfs/dbraw/zinc/55/32/65/558553265.db2.gz YIXHSDZKKFFMQK-HSZRJFAPSA-N 0 0 419.525 5.313 40 0 HKABRN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(OCCC(C)C)cc1 ZINC000013634719 558553591 /nfs/dbraw/zinc/55/35/91/558553591.db2.gz YIXHSDZKKFFMQK-QHCPKHFHSA-N 0 0 419.525 5.313 40 0 HKABRN CCCOc1ccc([C@@H]2C(C(=O)OCC)C(CCC)=Nc3nc4ccccc4n32)cc1 ZINC000013634741 558553650 /nfs/dbraw/zinc/55/36/50/558553650.db2.gz CQSFKRNVXGKSDM-HSZRJFAPSA-N 0 0 419.525 5.457 40 0 HKABRN CCCOc1ccc([C@H]2C(C(=O)OCC)C(CCC)=Nc3nc4ccccc4n32)cc1 ZINC000013634744 558553584 /nfs/dbraw/zinc/55/35/84/558553584.db2.gz CQSFKRNVXGKSDM-QHCPKHFHSA-N 0 0 419.525 5.457 40 0 HKABRN CCCCOc1ccc([C@@H]2C(C(=O)OCC)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000013634787 558553669 /nfs/dbraw/zinc/55/36/69/558553669.db2.gz IDINGPNDQYXBGR-JOCHJYFZSA-N 0 0 405.498 5.067 40 0 HKABRN CCCCOc1ccc([C@H]2C(C(=O)OCC)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000013634792 558553596 /nfs/dbraw/zinc/55/35/96/558553596.db2.gz IDINGPNDQYXBGR-QFIPXVFZSA-N 0 0 405.498 5.067 40 0 HKABRN CCCC1=Nc2nc3ccccc3n2[C@H](c2ccc(OCC)cc2)C1C(=O)OCC ZINC000013634838 558553610 /nfs/dbraw/zinc/55/36/10/558553610.db2.gz HIANUFFVDFKVAH-JOCHJYFZSA-N 0 0 405.498 5.067 40 0 HKABRN CCCC1=Nc2nc3ccccc3n2[C@@H](c2ccc(OCC)cc2)C1C(=O)OCC ZINC000013634842 558553607 /nfs/dbraw/zinc/55/36/07/558553607.db2.gz HIANUFFVDFKVAH-QFIPXVFZSA-N 0 0 405.498 5.067 40 0 HKABRN CCCC1=Nc2nc3ccccc3n2[C@H](c2ccc(SC)cc2)C1C(=O)OCC ZINC000013634870 558553551 /nfs/dbraw/zinc/55/35/51/558553551.db2.gz FJIBBXBAMBXBMJ-OAQYLSRUSA-N 0 0 407.539 5.390 40 0 HKABRN CCCC1=Nc2nc3ccccc3n2[C@@H](c2ccc(SC)cc2)C1C(=O)OCC ZINC000013634874 558553569 /nfs/dbraw/zinc/55/35/69/558553569.db2.gz FJIBBXBAMBXBMJ-NRFANRHFSA-N 0 0 407.539 5.390 40 0 HKABRN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccc(-c2ccccc2)cc1 ZINC000013634903 560825811 /nfs/dbraw/zinc/82/58/11/560825811.db2.gz HOIUDXSNTGFOGG-UHFFFAOYSA-N 0 0 424.887 7.068 40 0 HKABRN O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(-c2ccccc2)cc1 ZINC000013634911 560825805 /nfs/dbraw/zinc/82/58/05/560825805.db2.gz SNDJPAZNOWSGEK-UHFFFAOYSA-N 0 0 424.887 7.068 40 0 HKABRN CCCC1=Nc2nc3ccccc3n2[C@H](c2cccc3ccccc32)C1C(=O)OCC ZINC000013634954 558553632 /nfs/dbraw/zinc/55/36/32/558553632.db2.gz IJTICVVTKCUXJU-XMMPIXPASA-N 0 0 411.505 5.822 40 0 HKABRN CCCC1=Nc2nc3ccccc3n2[C@@H](c2cccc3ccccc32)C1C(=O)OCC ZINC000013634957 558553647 /nfs/dbraw/zinc/55/36/47/558553647.db2.gz IJTICVVTKCUXJU-DEOSSOPVSA-N 0 0 411.505 5.822 40 0 HKABRN O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000013634985 560825837 /nfs/dbraw/zinc/82/58/37/560825837.db2.gz VFBHJVPSJALFMY-UHFFFAOYSA-N 0 0 417.679 6.707 40 0 HKABRN O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1cc(Cl)ccc1Cl ZINC000013634989 560825859 /nfs/dbraw/zinc/82/58/59/560825859.db2.gz RLHOWAGOGLJNHY-UHFFFAOYSA-N 0 0 417.679 6.707 40 0 HKABRN CC1=Nc2nc3ccccc3n2[C@H](c2ccc(Cl)c(Cl)c2)C1C(=O)OC(C)C ZINC000013635028 558553666 /nfs/dbraw/zinc/55/36/66/558553666.db2.gz SKQWHRVQCLFGQQ-LJQANCHMSA-N 0 0 416.308 5.584 40 0 HKABRN CC1=Nc2nc3ccccc3n2[C@@H](c2ccc(Cl)c(Cl)c2)C1C(=O)OC(C)C ZINC000013635031 558553587 /nfs/dbraw/zinc/55/35/87/558553587.db2.gz SKQWHRVQCLFGQQ-IBGZPJMESA-N 0 0 416.308 5.584 40 0 HKABRN CC1=Nc2nc3ccccc3n2[C@H](c2ccc(Cl)cc2Cl)C1C(=O)OC(C)C ZINC000013635033 558553672 /nfs/dbraw/zinc/55/36/72/558553672.db2.gz ZDQSACUNWVEFMN-LJQANCHMSA-N 0 0 416.308 5.584 40 0 HKABRN CC1=Nc2nc3ccccc3n2[C@@H](c2ccc(Cl)cc2Cl)C1C(=O)OC(C)C ZINC000013635037 558553616 /nfs/dbraw/zinc/55/36/16/558553616.db2.gz ZDQSACUNWVEFMN-IBGZPJMESA-N 0 0 416.308 5.584 40 0 HKABRN CCCCOc1ccc([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000013635058 558553629 /nfs/dbraw/zinc/55/36/29/558553629.db2.gz MEUQLVRONBFNOC-HSZRJFAPSA-N 0 0 419.525 5.456 40 0 HKABRN CCCCOc1ccc([C@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000013635062 558553619 /nfs/dbraw/zinc/55/36/19/558553619.db2.gz MEUQLVRONBFNOC-QHCPKHFHSA-N 0 0 419.525 5.456 40 0 HKABRN Cc1nn2c(nnc(C(=O)Nc3ccccc3C)c2C)c1-c1cccc2ccccc21 ZINC000013635662 558554123 /nfs/dbraw/zinc/55/41/23/558554123.db2.gz RDDWSNYVAYPWBB-UHFFFAOYSA-N 0 0 407.477 5.122 40 0 HKABRN CCc1ccc(NC(=O)c2nnc3c(-c4cccc5ccccc54)c(C)nn3c2C)cc1 ZINC000013635678 558554151 /nfs/dbraw/zinc/55/41/51/558554151.db2.gz VLUVGZRRNMHZDN-UHFFFAOYSA-N 0 0 421.504 5.376 40 0 HKABRN Cc1nn2c(nnc(C(=O)Nc3ccc(C)cc3C)c2C)c1-c1cccc2ccccc21 ZINC000013635697 558554074 /nfs/dbraw/zinc/55/40/74/558554074.db2.gz KQHRJLGVYUQMOY-UHFFFAOYSA-N 0 0 421.504 5.430 40 0 HKABRN Cc1nn2c(nnc(C(=O)Nc3ccc(C)cc3)c2C)c1-c1cccc2ccccc21 ZINC000013635701 558554154 /nfs/dbraw/zinc/55/41/54/558554154.db2.gz JWQZMWSTGTXVIT-UHFFFAOYSA-N 0 0 407.477 5.122 40 0 HKABRN Cc1nn2c(nnc(C(=O)Nc3cccc(C)c3)c2C)c1-c1cccc2ccccc21 ZINC000013635723 558554168 /nfs/dbraw/zinc/55/41/68/558554168.db2.gz YRZJIWNQCSBRJW-UHFFFAOYSA-N 0 0 407.477 5.122 40 0 HKABRN Cc1nn2c(nnc(C(=O)Nc3ccc(C)c(C)c3)c2C)c1-c1cccc2ccccc21 ZINC000013635730 558554081 /nfs/dbraw/zinc/55/40/81/558554081.db2.gz LFFLCBRGPSFDJO-UHFFFAOYSA-N 0 0 421.504 5.430 40 0 HKABRN COc1ccc(Nc2nc3c(c(Nc4ccc(OC)cc4)n2)C(=O)CC(C)(C)C3)cc1 ZINC000013637140 558554627 /nfs/dbraw/zinc/55/46/27/558554627.db2.gz RBXMXLNXKQYZRW-UHFFFAOYSA-N 0 0 418.497 5.136 40 0 HKABRN CC(C)CCSc1nc2nc(-c3ccc4ccccc4c3)cc(-c3ccccc3)n2n1 ZINC000013637441 558554727 /nfs/dbraw/zinc/55/47/27/558554727.db2.gz CDKYYLPIOBCPMP-UHFFFAOYSA-N 0 0 424.573 6.750 40 0 HKABRN Oc1ccccc1-c1cc(-c2ccccc2)nc2nc(SCc3ccccc3)nn21 ZINC000013637463 558554682 /nfs/dbraw/zinc/55/46/82/558554682.db2.gz JJXABXXXBBAJIG-UHFFFAOYSA-N 0 0 410.502 5.456 40 0 HKABRN CCCc1cc(OC(=O)c2ccc(Cl)cc2Cl)n(-c2nc3ccccc3[nH]2)n1 ZINC000013639584 560826090 /nfs/dbraw/zinc/82/60/90/560826090.db2.gz GAMHHTOPVFTXLV-UHFFFAOYSA-N 0 0 415.280 5.227 40 0 HKABRN CC(C)c1ccc(CSc2nc3ccccc3c3nc(-c4cccnc4)nn32)cc1 ZINC000013640149 560826374 /nfs/dbraw/zinc/82/63/74/560826374.db2.gz NOWCTJQYRIRFCL-UHFFFAOYSA-N 0 0 411.534 5.755 40 0 HKABRN Clc1ccc(CSc2nc3ccccc3c3nc(-c4cccnc4)nn32)cc1 ZINC000013640173 560826306 /nfs/dbraw/zinc/82/63/06/560826306.db2.gz SCEFHYCFQAYZGA-UHFFFAOYSA-N 0 0 403.898 5.285 40 0 HKABRN O=C(CSc1nc2ccccc2c2nc(-c3ccc(Cl)cc3)nn21)c1ccco1 ZINC000013640185 560826324 /nfs/dbraw/zinc/82/63/24/560826324.db2.gz JYQHEWUGLCMZLC-UHFFFAOYSA-N 0 0 420.881 5.166 40 0 HKABRN Clc1ccccc1CSc1nc2ccccc2c2nc(-c3ccncc3)nn21 ZINC000013640187 560826287 /nfs/dbraw/zinc/82/62/87/560826287.db2.gz QWAHOCVKBDCXEN-UHFFFAOYSA-N 0 0 403.898 5.285 40 0 HKABRN Clc1cccc(CSc2nc3ccccc3c3nc(-c4ccncc4)nn32)c1 ZINC000013640189 560826337 /nfs/dbraw/zinc/82/63/37/560826337.db2.gz TYLVXXRMBVZXHZ-UHFFFAOYSA-N 0 0 403.898 5.285 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c(C)c1 ZINC000013646077 558556655 /nfs/dbraw/zinc/55/66/55/558556655.db2.gz JWAPTECLCCDCAW-UHFFFAOYSA-N 0 0 419.546 6.025 40 0 HKABRN C[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(C(C)(C)C)cc1 ZINC000013646387 558556811 /nfs/dbraw/zinc/55/68/11/558556811.db2.gz TVKGJMHMQLMBLL-CYBMUJFWSA-N 0 0 400.371 5.472 40 0 HKABRN C[C@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(C(C)(C)C)cc1 ZINC000013646390 558556752 /nfs/dbraw/zinc/55/67/52/558556752.db2.gz TVKGJMHMQLMBLL-ZDUSSCGKSA-N 0 0 400.371 5.472 40 0 HKABRN COc1ccc(/C=C(/C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 ZINC000013649670 558558070 /nfs/dbraw/zinc/55/80/70/558558070.db2.gz UKVIOLNOGXJJAK-HOIQBIFOSA-N 0 0 413.561 6.411 40 0 HKABRN COc1ccc(/C=C(/C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 ZINC000013649672 558558066 /nfs/dbraw/zinc/55/80/66/558558066.db2.gz UKVIOLNOGXJJAK-KHKYUJEISA-N 0 0 413.561 6.411 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)c2ccccc2SCc2ccccc2)c1C ZINC000013649760 558558155 /nfs/dbraw/zinc/55/81/55/558558155.db2.gz BEQPCFDFHIIVFO-UHFFFAOYSA-N 0 0 405.519 5.716 40 0 HKABRN Cc1ccc(CCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000013649833 558558151 /nfs/dbraw/zinc/55/81/51/558558151.db2.gz XJSYIKCEIKNYTL-UHFFFAOYSA-N 0 0 409.982 6.303 40 0 HKABRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC000013650963 560220083 /nfs/dbraw/zinc/22/00/83/560220083.db2.gz RZFHLOLGZPDCHJ-AIEICBQISA-N 0 0 424.669 8.601 40 0 in-vitro HKABRN CCOc1ccccc1CCCNC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 ZINC000013667953 558560191 /nfs/dbraw/zinc/56/01/91/558560191.db2.gz XFUVVOJNCWKVEV-LKUDQCMESA-N 0 0 415.533 5.384 40 0 HKABRN O=S(=O)(Cc1ccccc1)Nc1ccccc1SCc1ccc(Cl)cc1 ZINC000013668325 558560171 /nfs/dbraw/zinc/56/01/71/558560171.db2.gz WSAHPHPPDROYKQ-UHFFFAOYSA-N 0 0 403.956 5.574 40 0 HKABRN C[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013668466 558560330 /nfs/dbraw/zinc/56/03/30/558560330.db2.gz RQSPVOPBQYDHGV-OAHLLOKOSA-N 0 0 420.416 5.857 40 0 HKABRN C[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013668467 558560368 /nfs/dbraw/zinc/56/03/68/558560368.db2.gz RQSPVOPBQYDHGV-HNNXBMFYSA-N 0 0 420.416 5.857 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=O)CSCc2c(Cl)cccc2Cl)c1 ZINC000013668589 558560480 /nfs/dbraw/zinc/56/04/80/558560480.db2.gz LFJPLYQPYKHSFI-UHFFFAOYSA-N 0 0 412.338 5.350 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccccc2)c(C)c1 ZINC000013669228 558560838 /nfs/dbraw/zinc/56/08/38/558560838.db2.gz GTFZUWCZFCPRKS-UHFFFAOYSA-N 0 0 405.519 5.716 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c1 ZINC000013669312 558561196 /nfs/dbraw/zinc/56/11/96/558561196.db2.gz FTBKXIPJIATSFL-XQNSMLJCSA-N 0 0 401.462 5.051 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)c2ccc(CSc3ccccc3)cc2)c1C ZINC000013669552 558561122 /nfs/dbraw/zinc/56/11/22/558561122.db2.gz ILRNOTXTBJAKRV-UHFFFAOYSA-N 0 0 405.519 5.716 40 0 HKABRN C[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000013669560 558561135 /nfs/dbraw/zinc/56/11/35/558561135.db2.gz MGVZGSCIMCYUMK-CQSZACIVSA-N 0 0 410.410 6.402 40 0 HKABRN C[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000013669561 558561189 /nfs/dbraw/zinc/56/11/89/558561189.db2.gz MGVZGSCIMCYUMK-AWEZNQCLSA-N 0 0 410.410 6.402 40 0 HKABRN COc1cccc(OC)c1C(=O)Nc1ccccc1SCc1ccc(Cl)cc1 ZINC000013669581 558561340 /nfs/dbraw/zinc/56/13/40/558561340.db2.gz FZHTZLCZGIWLTO-UHFFFAOYSA-N 0 0 413.926 5.902 40 0 HKABRN O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1ccccc1F ZINC000013669947 558561511 /nfs/dbraw/zinc/56/15/11/558561511.db2.gz BBITXGYSNLKSJH-UHFFFAOYSA-N 0 0 418.386 5.415 40 0 HKABRN C[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013670352 558561735 /nfs/dbraw/zinc/56/17/35/558561735.db2.gz WHOXGHIYGSGJCO-LJQANCHMSA-N 0 0 403.591 6.767 40 0 HKABRN C[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013670353 558561706 /nfs/dbraw/zinc/56/17/06/558561706.db2.gz WHOXGHIYGSGJCO-IBGZPJMESA-N 0 0 403.591 6.767 40 0 HKABRN Cc1cccc(CCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 ZINC000013670490 558561935 /nfs/dbraw/zinc/56/19/35/558561935.db2.gz QTTSMNBTFDZQQZ-UHFFFAOYSA-N 0 0 409.982 6.303 40 0 HKABRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(OC2CCCC2)cc1 ZINC000013670493 558561981 /nfs/dbraw/zinc/56/19/81/558561981.db2.gz PJBZDRDGQQRKFM-UHFFFAOYSA-N 0 0 400.327 5.257 40 0 HKABRN CCOc1ccccc1CCCNC(=O)c1ccccc1SCc1ccccc1 ZINC000013670517 558561931 /nfs/dbraw/zinc/56/19/31/558561931.db2.gz HDWOXTCRXAJKIQ-UHFFFAOYSA-N 0 0 405.563 5.740 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CSc3ccccc3)cc2)c1 ZINC000013670638 558562193 /nfs/dbraw/zinc/56/21/93/558562193.db2.gz KEXCGRLUZTXNDU-UHFFFAOYSA-N 0 0 405.519 5.716 40 0 HKABRN Cc1ccc(CS(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 ZINC000013671271 558562558 /nfs/dbraw/zinc/56/25/58/558562558.db2.gz KMONGBIXFAKIKV-UHFFFAOYSA-N 0 0 417.983 5.883 40 0 HKABRN O=C(NCCSCc1ccccc1F)c1ccccc1SCc1ccccc1 ZINC000013671524 558562521 /nfs/dbraw/zinc/56/25/21/558562521.db2.gz BGEKLRZSCLVDPR-UHFFFAOYSA-N 0 0 411.567 5.781 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)c(C)c1 ZINC000013671795 558562748 /nfs/dbraw/zinc/56/27/48/558562748.db2.gz SAZCTVYTRSGUOZ-UHFFFAOYSA-N 0 0 412.338 5.350 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 ZINC000013672197 558562935 /nfs/dbraw/zinc/56/29/35/558562935.db2.gz IOORINIFNXRCHR-RCCKNPSSSA-N 0 0 419.908 6.004 40 0 HKABRN CCOc1ccccc1CCCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000013672218 558563014 /nfs/dbraw/zinc/56/30/14/558563014.db2.gz OTVRNTYIMGUHQX-FCDQGJHFSA-N 0 0 419.952 6.028 40 0 HKABRN O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000013674883 558563849 /nfs/dbraw/zinc/56/38/49/558563849.db2.gz KDSRMDNGVKHMRH-UHFFFAOYSA-N 0 0 411.476 6.002 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 ZINC000013674911 558564034 /nfs/dbraw/zinc/56/40/34/558564034.db2.gz DVDZKJBQROGCGS-UHFFFAOYSA-N 0 0 409.982 7.182 40 0 HKABRN C[C@@H](NC(=O)CSCc1ccccc1Br)c1ccc(C(C)(C)C)cc1 ZINC000013675057 558564030 /nfs/dbraw/zinc/56/40/30/558564030.db2.gz UCNQJVMDPWQTBE-OAHLLOKOSA-N 0 0 420.416 5.857 40 0 HKABRN C[C@H](NC(=O)CSCc1ccccc1Br)c1ccc(C(C)(C)C)cc1 ZINC000013675059 558564053 /nfs/dbraw/zinc/56/40/53/558564053.db2.gz UCNQJVMDPWQTBE-HNNXBMFYSA-N 0 0 420.416 5.857 40 0 HKABRN O=C(NCCSCc1ccccc1F)c1ccc(CSc2ccccc2)cc1 ZINC000013675068 558563972 /nfs/dbraw/zinc/56/39/72/558563972.db2.gz ZFHNIEARMXJCOJ-UHFFFAOYSA-N 0 0 411.567 5.781 40 0 HKABRN C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000013675179 558564062 /nfs/dbraw/zinc/56/40/62/558564062.db2.gz YFSYVRNETHKYMC-CYBMUJFWSA-N 0 0 400.371 5.472 40 0 HKABRN C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000013675181 558564025 /nfs/dbraw/zinc/56/40/25/558564025.db2.gz YFSYVRNETHKYMC-ZDUSSCGKSA-N 0 0 400.371 5.472 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 ZINC000013675348 558564230 /nfs/dbraw/zinc/56/42/30/558564230.db2.gz QRAITRRDEFSEAI-LTGZKZEYSA-N 0 0 405.881 5.696 40 0 HKABRN CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1 ZINC000013676003 560220153 /nfs/dbraw/zinc/22/01/53/560220153.db2.gz XFHZHCKWTBGPFD-UHFFFAOYSA-N 0 0 403.607 6.293 40 0 in-vitro HKABRN CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)NC1CC1 ZINC000013676056 560220110 /nfs/dbraw/zinc/22/01/10/560220110.db2.gz BHJRHOCTESKVMJ-UHFFFAOYSA-N 0 0 417.634 6.683 40 0 in-vitro HKABRN O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(OCc2ccccc2)cc1 ZINC000013679828 558566006 /nfs/dbraw/zinc/56/60/06/558566006.db2.gz UGKNUEUJYXTYEX-UHFFFAOYSA-N 0 0 422.333 5.514 40 0 HKABRN Cc1cc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)ccc1Br ZINC000013680279 558566230 /nfs/dbraw/zinc/56/62/30/558566230.db2.gz YTZMUBBKUJHVJM-UHFFFAOYSA-N 0 0 409.132 5.006 40 0 HKABRN O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(Oc2ccccc2)cc1 ZINC000013680688 558566387 /nfs/dbraw/zinc/56/63/87/558566387.db2.gz XZQRNCHKZKNGTP-UHFFFAOYSA-N 0 0 408.306 5.728 40 0 HKABRN O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccccc1Sc1ccccc1 ZINC000013680818 558566330 /nfs/dbraw/zinc/56/63/30/558566330.db2.gz WQAVTXJEUJTRET-UHFFFAOYSA-N 0 0 424.374 6.087 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)COc1cccc2ccccc21)c1ccccc1 ZINC000013684166 558568286 /nfs/dbraw/zinc/56/82/86/558568286.db2.gz WIRBDGPKNRSXOJ-LJQANCHMSA-N 0 0 424.500 5.348 40 0 HKABRN C[C@H](NC(=O)c1ccccc1NC(=O)COc1cccc2ccccc21)c1ccccc1 ZINC000013684175 558568348 /nfs/dbraw/zinc/56/83/48/558568348.db2.gz WIRBDGPKNRSXOJ-IBGZPJMESA-N 0 0 424.500 5.348 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)ccc1Cl ZINC000013684300 558568514 /nfs/dbraw/zinc/56/85/14/558568514.db2.gz XHJJRSIPGIXVHI-QGZVFWFLSA-N 0 0 422.912 5.157 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)ccc1Cl ZINC000013684305 558568541 /nfs/dbraw/zinc/56/85/41/558568541.db2.gz XHJJRSIPGIXVHI-KRWDZBQOSA-N 0 0 422.912 5.157 40 0 HKABRN CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000013684489 558568700 /nfs/dbraw/zinc/56/87/00/558568700.db2.gz BIGTXZSZQBONFX-IBGZPJMESA-N 0 0 416.521 5.319 40 0 HKABRN CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000013684493 558568721 /nfs/dbraw/zinc/56/87/21/558568721.db2.gz BIGTXZSZQBONFX-LJQANCHMSA-N 0 0 416.521 5.319 40 0 HKABRN Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 ZINC000013684557 558568638 /nfs/dbraw/zinc/56/86/38/558568638.db2.gz MPAWWLKPWCEYJX-HXUWFJFHSA-N 0 0 416.521 5.120 40 0 HKABRN Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000013684561 558568683 /nfs/dbraw/zinc/56/86/83/558568683.db2.gz MPAWWLKPWCEYJX-FQEVSTJZSA-N 0 0 416.521 5.120 40 0 HKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000013684620 558568663 /nfs/dbraw/zinc/56/86/63/558568663.db2.gz WMZBWEITVKUUNN-GOSISDBHSA-N 0 0 402.494 5.046 40 0 HKABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000013684624 558568659 /nfs/dbraw/zinc/56/86/59/558568659.db2.gz WMZBWEITVKUUNN-SFHVURJKSA-N 0 0 402.494 5.046 40 0 HKABRN CCCCNC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000013684648 558568668 /nfs/dbraw/zinc/56/86/68/558568668.db2.gz QGHHVGODUJYVTQ-UHFFFAOYSA-N 0 0 402.494 5.048 40 0 HKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 ZINC000013684715 558568741 /nfs/dbraw/zinc/56/87/41/558568741.db2.gz JAJRNXLNKVOYKU-GOSISDBHSA-N 0 0 402.494 5.046 40 0 HKABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 ZINC000013684719 558568691 /nfs/dbraw/zinc/56/86/91/558568691.db2.gz JAJRNXLNKVOYKU-SFHVURJKSA-N 0 0 402.494 5.046 40 0 HKABRN CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 ZINC000013684744 558568727 /nfs/dbraw/zinc/56/87/27/558568727.db2.gz PEFTYKWDCNLXKR-UHFFFAOYSA-N 0 0 402.494 5.048 40 0 HKABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 ZINC000013684773 558568680 /nfs/dbraw/zinc/56/86/80/558568680.db2.gz YRYGYYLHNFOZOH-UHFFFAOYSA-N 0 0 402.494 5.046 40 0 HKABRN CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013684780 558568647 /nfs/dbraw/zinc/56/86/47/558568647.db2.gz FEKAIBBAAXHHFQ-UHFFFAOYSA-N 0 0 422.912 5.310 40 0 HKABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013684825 558568951 /nfs/dbraw/zinc/56/89/51/558568951.db2.gz IRMPYQRWTRLHQP-UHFFFAOYSA-N 0 0 422.912 5.311 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)CCSCc1ccccc1)c1ccccc1 ZINC000013684886 558568918 /nfs/dbraw/zinc/56/89/18/558568918.db2.gz PNAOYICDODJUFY-LJQANCHMSA-N 0 0 418.562 5.440 40 0 HKABRN C[C@H](NC(=O)c1ccccc1NC(=O)CCSCc1ccccc1)c1ccccc1 ZINC000013684891 558568923 /nfs/dbraw/zinc/56/89/23/558568923.db2.gz PNAOYICDODJUFY-IBGZPJMESA-N 0 0 418.562 5.440 40 0 HKABRN CC(C)CNC(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 ZINC000013684947 558568952 /nfs/dbraw/zinc/56/89/52/558568952.db2.gz AZYRGEKAGNFXDB-UHFFFAOYSA-N 0 0 400.522 5.110 40 0 HKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 ZINC000013684951 558568936 /nfs/dbraw/zinc/56/89/36/558568936.db2.gz VYTBQLXJNGAMBO-LJQANCHMSA-N 0 0 400.522 5.252 40 0 HKABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 ZINC000013684955 558568941 /nfs/dbraw/zinc/56/89/41/558568941.db2.gz VYTBQLXJNGAMBO-IBGZPJMESA-N 0 0 400.522 5.252 40 0 HKABRN O=C(NCc1ccco1)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 ZINC000013684963 558568925 /nfs/dbraw/zinc/56/89/25/558568925.db2.gz DLHYQJNUNBKTSW-UHFFFAOYSA-N 0 0 424.500 5.247 40 0 HKABRN CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 ZINC000013684980 558568921 /nfs/dbraw/zinc/56/89/21/558568921.db2.gz WLAYBMIHSZSNFI-UHFFFAOYSA-N 0 0 400.522 5.254 40 0 HKABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 ZINC000013685007 558568912 /nfs/dbraw/zinc/56/89/12/558568912.db2.gz AEIPXMZCPBLITR-UHFFFAOYSA-N 0 0 400.522 5.252 40 0 HKABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000013685236 558569072 /nfs/dbraw/zinc/56/90/72/558569072.db2.gz RILOTAXHBRRTGG-GOSISDBHSA-N 0 0 416.521 5.308 40 0 HKABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000013685241 558569048 /nfs/dbraw/zinc/56/90/48/558569048.db2.gz RILOTAXHBRRTGG-SFHVURJKSA-N 0 0 416.521 5.308 40 0 HKABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000013685246 558569122 /nfs/dbraw/zinc/56/91/22/558569122.db2.gz INHLHBWIXXMXIZ-LJQANCHMSA-N 0 0 424.500 5.176 40 0 HKABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000013685250 558569051 /nfs/dbraw/zinc/56/90/51/558569051.db2.gz INHLHBWIXXMXIZ-IBGZPJMESA-N 0 0 424.500 5.176 40 0 HKABRN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000013685393 558569347 /nfs/dbraw/zinc/56/93/47/558569347.db2.gz NEXLQEANZNDVBQ-GOSISDBHSA-N 0 0 416.521 5.308 40 0 HKABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000013685399 558569377 /nfs/dbraw/zinc/56/93/77/558569377.db2.gz NEXLQEANZNDVBQ-SFHVURJKSA-N 0 0 416.521 5.308 40 0 HKABRN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000013685405 558569365 /nfs/dbraw/zinc/56/93/65/558569365.db2.gz OMFZEVORLXFWJJ-LJQANCHMSA-N 0 0 424.500 5.176 40 0 HKABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000013685410 558569325 /nfs/dbraw/zinc/56/93/25/558569325.db2.gz OMFZEVORLXFWJJ-IBGZPJMESA-N 0 0 424.500 5.176 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccccc1 ZINC000013685606 558569411 /nfs/dbraw/zinc/56/94/11/558569411.db2.gz DCTHQHQZCGBYOK-IAGOWNOFSA-N 0 0 422.912 5.237 40 0 HKABRN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000013685611 558569460 /nfs/dbraw/zinc/56/94/60/558569460.db2.gz DCTHQHQZCGBYOK-DLBZAZTESA-N 0 0 422.912 5.237 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccccc1 ZINC000013685616 558569511 /nfs/dbraw/zinc/56/95/11/558569511.db2.gz DCTHQHQZCGBYOK-SJORKVTESA-N 0 0 422.912 5.237 40 0 HKABRN C[C@H](NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccccc1 ZINC000013685621 558569456 /nfs/dbraw/zinc/56/94/56/558569456.db2.gz DCTHQHQZCGBYOK-IRXDYDNUSA-N 0 0 422.912 5.237 40 0 HKABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 ZINC000013685721 558569526 /nfs/dbraw/zinc/56/95/26/558569526.db2.gz NOFMGAHCNCTYRH-WOJBJXKFSA-N 0 0 416.521 5.200 40 0 HKABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000013685726 558569467 /nfs/dbraw/zinc/56/94/67/558569467.db2.gz NOFMGAHCNCTYRH-VQTJNVASSA-N 0 0 416.521 5.200 40 0 HKABRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 ZINC000013685729 558569491 /nfs/dbraw/zinc/56/94/91/558569491.db2.gz NOFMGAHCNCTYRH-UXHICEINSA-N 0 0 416.521 5.200 40 0 HKABRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000013685734 558569476 /nfs/dbraw/zinc/56/94/76/558569476.db2.gz NOFMGAHCNCTYRH-PMACEKPBSA-N 0 0 416.521 5.200 40 0 HKABRN CC(C)CNC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000013686703 558569900 /nfs/dbraw/zinc/56/99/00/558569900.db2.gz KNLKLMXDCYJYKZ-UHFFFAOYSA-N 0 0 400.522 5.233 40 0 HKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000013686708 558569942 /nfs/dbraw/zinc/56/99/42/558569942.db2.gz YZPNZNDBPGUYMZ-LJQANCHMSA-N 0 0 400.522 5.376 40 0 HKABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000013686711 558569889 /nfs/dbraw/zinc/56/98/89/558569889.db2.gz YZPNZNDBPGUYMZ-IBGZPJMESA-N 0 0 400.522 5.376 40 0 HKABRN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000013686717 558569896 /nfs/dbraw/zinc/56/98/96/558569896.db2.gz GMRJGSKGZYCXRQ-UHFFFAOYSA-N 0 0 424.500 5.370 40 0 HKABRN CCCCNC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000013686724 558569882 /nfs/dbraw/zinc/56/98/82/558569882.db2.gz YNBMVQMZHKGCNK-UHFFFAOYSA-N 0 0 400.522 5.377 40 0 HKABRN CC(C)CNC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013686753 558569903 /nfs/dbraw/zinc/56/99/03/558569903.db2.gz QZSHPWMHVWNLOG-UHFFFAOYSA-N 0 0 417.534 5.907 40 0 HKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013686761 132458885 /nfs/dbraw/zinc/45/88/85/132458885.db2.gz SQHMNNSJFHARAT-MRXNPFEDSA-N 0 0 417.534 6.050 40 0 HKABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013686765 132458880 /nfs/dbraw/zinc/45/88/80/132458880.db2.gz SQHMNNSJFHARAT-INIZCTEOSA-N 0 0 417.534 6.050 40 0 HKABRN CCCNC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013686786 558569913 /nfs/dbraw/zinc/56/99/13/558569913.db2.gz WVMHZGZDCASTLG-UHFFFAOYSA-N 0 0 403.507 5.661 40 0 HKABRN CCCCNC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013686791 558569891 /nfs/dbraw/zinc/56/98/91/558569891.db2.gz LFHWLPYTPRCBTF-UHFFFAOYSA-N 0 0 417.534 6.051 40 0 HKABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013686820 558569886 /nfs/dbraw/zinc/56/98/86/558569886.db2.gz NWMJHAXKLHSEGR-UHFFFAOYSA-N 0 0 417.534 6.050 40 0 HKABRN O=C(c1ccccc1OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000013686944 558570075 /nfs/dbraw/zinc/57/00/75/558570075.db2.gz WKVXRSUTSNMANG-UHFFFAOYSA-N 0 0 407.513 6.108 40 0 HKABRN O=C(NCCSCc1ccccc1Cl)c1ccccc1OCc1ccccc1 ZINC000013686993 558570183 /nfs/dbraw/zinc/57/01/83/558570183.db2.gz KHLVGYSSUOITKU-UHFFFAOYSA-N 0 0 411.954 5.582 40 0 HKABRN O=C(NCCSCc1cccc(Cl)c1)c1ccccc1OCc1ccccc1 ZINC000013686999 558570100 /nfs/dbraw/zinc/57/01/00/558570100.db2.gz ULDCOPXKUJEPDL-UHFFFAOYSA-N 0 0 411.954 5.582 40 0 HKABRN O=C(NCCSCc1ccc(Cl)cc1)c1ccccc1OCc1ccccc1 ZINC000013687003 558570146 /nfs/dbraw/zinc/57/01/46/558570146.db2.gz MTCNACPCDGXYHX-UHFFFAOYSA-N 0 0 411.954 5.582 40 0 HKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1OCc1ccccc1 ZINC000013687090 558570150 /nfs/dbraw/zinc/57/01/50/558570150.db2.gz XBIRJJGYJZOOQI-UHFFFAOYSA-N 0 0 405.803 6.190 40 0 HKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1OCc1ccccc1 ZINC000013687094 558570175 /nfs/dbraw/zinc/57/01/75/558570175.db2.gz YULXKQWVQQUGDJ-UHFFFAOYSA-N 0 0 409.485 6.097 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1OCc1ccccc1 ZINC000013687226 558570325 /nfs/dbraw/zinc/57/03/25/558570325.db2.gz ZECUAAGRGUMYNT-UHFFFAOYSA-N 0 0 405.803 6.190 40 0 HKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccccc2OCc2ccccc2)CC1 ZINC000013687229 558570420 /nfs/dbraw/zinc/57/04/20/558570420.db2.gz DUUXFMULQFKXKW-UHFFFAOYSA-N 0 0 420.940 5.190 40 0 HKABRN COC(=O)c1c(NC(=O)c2ccccc2OCc2ccccc2)sc2c1CCCC2 ZINC000013687239 558570410 /nfs/dbraw/zinc/57/04/10/558570410.db2.gz VPZAXJNGGYOJNM-UHFFFAOYSA-N 0 0 421.518 5.245 40 0 HKABRN O=C(Nc1ccccc1Sc1ccccc1)c1ccccc1OCc1ccccc1 ZINC000013687292 558570413 /nfs/dbraw/zinc/57/04/13/558570413.db2.gz FUIRRDOBZUOOKM-UHFFFAOYSA-N 0 0 411.526 6.669 40 0 HKABRN O=C(Nc1ccc(Br)cc1F)c1ccccc1OCc1ccccc1 ZINC000013687308 560826509 /nfs/dbraw/zinc/82/65/09/560826509.db2.gz UGOIMCQWHRSWHG-UHFFFAOYSA-N 0 0 400.247 5.420 40 0 HKABRN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1OCc1ccccc1 ZINC000013687345 558570310 /nfs/dbraw/zinc/57/03/10/558570310.db2.gz KTTKEOXDVHXKAO-UHFFFAOYSA-N 0 0 414.505 5.144 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000013687380 558570371 /nfs/dbraw/zinc/57/03/71/558570371.db2.gz GLMCNRFMAMARSD-UHFFFAOYSA-N 0 0 403.478 5.475 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1OCc1ccccc1 ZINC000013687384 558570299 /nfs/dbraw/zinc/57/02/99/558570299.db2.gz UGFFNEQNOINZCE-UHFFFAOYSA-N 0 0 405.803 6.190 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)c3ccccc3OCc3ccccc3)ccc21 ZINC000013687427 558570304 /nfs/dbraw/zinc/57/03/04/558570304.db2.gz VMIRGRIDOYBHMZ-UHFFFAOYSA-N 0 0 420.512 6.646 40 0 HKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1OCc1ccccc1 ZINC000013687434 558570393 /nfs/dbraw/zinc/57/03/93/558570393.db2.gz MYSIBTZNQKVBFR-UHFFFAOYSA-N 0 0 406.696 6.478 40 0 HKABRN O=C(Nc1cccc(Br)c1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687475 558570595 /nfs/dbraw/zinc/57/05/95/558570595.db2.gz CJLHCIYBYFEPRL-UHFFFAOYSA-N 0 0 416.702 5.934 40 0 HKABRN O=C(Nc1ccc(Br)cc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687479 558570546 /nfs/dbraw/zinc/57/05/46/558570546.db2.gz XGBZCOVYYSMCFF-UHFFFAOYSA-N 0 0 416.702 5.934 40 0 HKABRN CCOC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687487 558570597 /nfs/dbraw/zinc/57/05/97/558570597.db2.gz QSRYZIPHTWGGCF-UHFFFAOYSA-N 0 0 409.869 5.348 40 0 HKABRN O=C(Nc1ccccc1Br)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687496 558570558 /nfs/dbraw/zinc/57/05/58/558570558.db2.gz GHPGGGMNMIOJOM-UHFFFAOYSA-N 0 0 416.702 5.934 40 0 HKABRN Cc1ccc(SCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000013687513 558570517 /nfs/dbraw/zinc/57/05/17/558570517.db2.gz ROMRAXIGSABOLF-UHFFFAOYSA-N 0 0 411.954 5.750 40 0 HKABRN O=C(NCCSCc1ccccc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687522 558570538 /nfs/dbraw/zinc/57/05/38/558570538.db2.gz BUQRQKPKPBPUJH-UHFFFAOYSA-N 0 0 411.954 5.582 40 0 HKABRN O=C(NCc1ccc(Cl)cc1Cl)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687546 558570535 /nfs/dbraw/zinc/57/05/35/558570535.db2.gz QMBDHERYVGJRNX-UHFFFAOYSA-N 0 0 420.723 6.156 40 0 HKABRN O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000013687608 132458898 /nfs/dbraw/zinc/45/88/98/132458898.db2.gz VYGQIFKXOJPVPW-UHFFFAOYSA-N 0 0 424.903 5.021 40 0 HKABRN O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCN(c2ccccc2F)CC1 ZINC000013687612 132458867 /nfs/dbraw/zinc/45/88/67/132458867.db2.gz OGERUCXIOJYEMW-UHFFFAOYSA-N 0 0 424.903 5.021 40 0 HKABRN COC(=O)c1ccc(C)c(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 ZINC000013687635 558570586 /nfs/dbraw/zinc/57/05/86/558570586.db2.gz DIJXEUQVCPCGCT-UHFFFAOYSA-N 0 0 409.869 5.266 40 0 HKABRN O=C(NCCSCc1ccco1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687642 558570542 /nfs/dbraw/zinc/57/05/42/558570542.db2.gz VERUEKCPJHREIX-UHFFFAOYSA-N 0 0 401.915 5.175 40 0 HKABRN O=C(NCCSC1CCCCC1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687657 558570526 /nfs/dbraw/zinc/57/05/26/558570526.db2.gz DWEITGQVMYDJEK-UHFFFAOYSA-N 0 0 403.975 5.715 40 0 HKABRN COC(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1C ZINC000013687731 558570515 /nfs/dbraw/zinc/57/05/15/558570515.db2.gz BGIAREHGOHWVRR-UHFFFAOYSA-N 0 0 409.869 5.266 40 0 HKABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687760 558570530 /nfs/dbraw/zinc/57/05/30/558570530.db2.gz BGYOEMYNYFOPCA-UHFFFAOYSA-N 0 0 405.803 6.190 40 0 HKABRN O=C(Nc1c(Cl)cccc1Cl)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687869 558570539 /nfs/dbraw/zinc/57/05/39/558570539.db2.gz RZHYYNMZUANYJG-UHFFFAOYSA-N 0 0 406.696 6.478 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)CCSCc1ccccc1 ZINC000013688012 558570733 /nfs/dbraw/zinc/57/07/33/558570733.db2.gz GQPDGBJWFMKZCY-UHFFFAOYSA-N 0 0 407.604 6.549 40 0 HKABRN O=C(CCSCc1ccccc1)NCCSCc1ccc(Cl)cc1Cl ZINC000013688018 558570760 /nfs/dbraw/zinc/57/07/60/558570760.db2.gz VYHBSCHTLXXQLE-UHFFFAOYSA-N 0 0 414.423 5.666 40 0 HKABRN O=C(CCSCc1ccccc1)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000013688024 558570819 /nfs/dbraw/zinc/57/08/19/558570819.db2.gz WKPJHRYRVHGUII-UHFFFAOYSA-N 0 0 414.423 5.666 40 0 HKABRN O=C(CCSCc1ccccc1)NCCSCc1c(Cl)cccc1Cl ZINC000013688046 558570690 /nfs/dbraw/zinc/57/06/90/558570690.db2.gz YLUPNVFWYONTQS-UHFFFAOYSA-N 0 0 414.423 5.666 40 0 HKABRN O=C(CCSCc1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000013688052 558570716 /nfs/dbraw/zinc/57/07/16/558570716.db2.gz GZTUNMBMMHJANF-UHFFFAOYSA-N 0 0 405.607 6.416 40 0 HKABRN O=C(c1ccccc1CCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000013688211 558570712 /nfs/dbraw/zinc/57/07/12/558570712.db2.gz XYTVZLRJPGTGER-UHFFFAOYSA-N 0 0 405.541 6.314 40 0 HKABRN O=C(NCCSCc1ccccc1Cl)c1ccccc1CCc1ccccc1 ZINC000013688250 558570777 /nfs/dbraw/zinc/57/07/77/558570777.db2.gz SUTGMWLFXKGIJZ-UHFFFAOYSA-N 0 0 409.982 5.788 40 0 HKABRN O=C(NCCSCc1cccc(Cl)c1)c1ccccc1CCc1ccccc1 ZINC000013688253 558570781 /nfs/dbraw/zinc/57/07/81/558570781.db2.gz OZBMHMNCZGEAJW-UHFFFAOYSA-N 0 0 409.982 5.788 40 0 HKABRN O=C(NCCSCc1ccc(Cl)cc1)c1ccccc1CCc1ccccc1 ZINC000013688255 558570694 /nfs/dbraw/zinc/57/06/94/558570694.db2.gz VHGIZSZYQIEBHH-UHFFFAOYSA-N 0 0 409.982 5.788 40 0 HKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1CCc1ccccc1 ZINC000013688279 558570793 /nfs/dbraw/zinc/57/07/93/558570793.db2.gz NAQMDAKENYPRIG-UHFFFAOYSA-N 0 0 403.831 6.396 40 0 HKABRN O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccccc1CCc1ccccc1 ZINC000013688291 558570789 /nfs/dbraw/zinc/57/07/89/558570789.db2.gz VZKRZMSRGVKTPZ-UHFFFAOYSA-N 0 0 423.581 7.016 40 0 HKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 ZINC000013688333 132458920 /nfs/dbraw/zinc/45/89/20/132458920.db2.gz FOBFALYFQJUCMO-UHFFFAOYSA-N 0 0 418.968 5.396 40 0 HKABRN O=C(Nc1ccc(Br)c(Cl)c1)c1ccccc1CCc1ccccc1 ZINC000013688367 558571007 /nfs/dbraw/zinc/57/10/07/558571007.db2.gz WPDUWDNESUSQNS-UHFFFAOYSA-N 0 0 414.730 6.140 40 0 HKABRN O=C(Nc1ccccc1Sc1ccccc1)c1ccccc1CCc1ccccc1 ZINC000013688373 558570975 /nfs/dbraw/zinc/57/09/75/558570975.db2.gz PBPYGILFVUWSTN-UHFFFAOYSA-N 0 0 409.554 6.875 40 0 HKABRN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1CCc1ccccc1 ZINC000013688407 558570979 /nfs/dbraw/zinc/57/09/79/558570979.db2.gz OFLALXDHIPIFFT-UHFFFAOYSA-N 0 0 412.533 5.350 40 0 HKABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 ZINC000013688410 558570996 /nfs/dbraw/zinc/57/09/96/558570996.db2.gz BZEZXLXDEGRRME-UHFFFAOYSA-N 0 0 400.522 5.206 40 0 HKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1CCc1ccccc1 ZINC000013688445 558570949 /nfs/dbraw/zinc/57/09/49/558570949.db2.gz WXVNQXJVNJCBIH-UHFFFAOYSA-N 0 0 404.724 6.684 40 0 HKABRN Clc1ccc(Nc2nc3ccccc3c3nc(C4CCCCC4)[nH]c32)cc1Cl ZINC000013704564 569399645 /nfs/dbraw/zinc/39/96/45/569399645.db2.gz UWJVRSIGHHSDSJ-UHFFFAOYSA-N 0 0 411.336 7.209 40 0 in-vitro HKABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000013708396 558575116 /nfs/dbraw/zinc/57/51/16/558575116.db2.gz NYFMZKQZIZAAGT-LJQANCHMSA-N 0 0 413.542 6.538 40 0 HKABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000013708398 558575185 /nfs/dbraw/zinc/57/51/85/558575185.db2.gz NYFMZKQZIZAAGT-IBGZPJMESA-N 0 0 413.542 6.538 40 0 HKABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000013708448 558575163 /nfs/dbraw/zinc/57/51/63/558575163.db2.gz FAPYORZYLFOFRP-OAHLLOKOSA-N 0 0 417.933 5.449 40 0 HKABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000013708450 558575113 /nfs/dbraw/zinc/57/51/13/558575113.db2.gz FAPYORZYLFOFRP-HNNXBMFYSA-N 0 0 417.933 5.449 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)sc2c1CCCC2 ZINC000013708521 558575157 /nfs/dbraw/zinc/57/51/57/558575157.db2.gz PUMSSHOMRQLTJX-OAHLLOKOSA-N 0 0 423.534 5.363 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)sc2c1CCCC2 ZINC000013708523 558575160 /nfs/dbraw/zinc/57/51/60/558575160.db2.gz PUMSSHOMRQLTJX-HNNXBMFYSA-N 0 0 423.534 5.363 40 0 HKABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000013708576 558575179 /nfs/dbraw/zinc/57/51/79/558575179.db2.gz RWUXTAKYJWGEIW-GFCCVEGCSA-N 0 0 404.691 5.662 40 0 HKABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000013708578 558575122 /nfs/dbraw/zinc/57/51/22/558575122.db2.gz RWUXTAKYJWGEIW-LBPRGKRZSA-N 0 0 404.691 5.662 40 0 HKABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000013708583 558575142 /nfs/dbraw/zinc/57/51/42/558575142.db2.gz AWUGLNCZRYAVKM-QGZVFWFLSA-N 0 0 417.892 6.692 40 0 HKABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000013708585 558575140 /nfs/dbraw/zinc/57/51/40/558575140.db2.gz AWUGLNCZRYAVKM-KRWDZBQOSA-N 0 0 417.892 6.692 40 0 HKABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000013708670 558575271 /nfs/dbraw/zinc/57/52/71/558575271.db2.gz QUNIUKHPAXPESC-LJQANCHMSA-N 0 0 416.521 5.262 40 0 HKABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000013708672 558575337 /nfs/dbraw/zinc/57/53/37/558575337.db2.gz QUNIUKHPAXPESC-IBGZPJMESA-N 0 0 416.521 5.262 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccc4ccccc4c3)ccc21 ZINC000013708738 558575321 /nfs/dbraw/zinc/57/53/21/558575321.db2.gz WUOWYOJZBXXNFK-GOSISDBHSA-N 0 0 408.501 6.374 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccc4ccccc4c3)ccc21 ZINC000013708740 558575296 /nfs/dbraw/zinc/57/52/96/558575296.db2.gz WUOWYOJZBXXNFK-SFHVURJKSA-N 0 0 408.501 6.374 40 0 HKABRN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000013709147 558575324 /nfs/dbraw/zinc/57/53/24/558575324.db2.gz WVERSDNKKDTQRD-LJQANCHMSA-N 0 0 413.542 6.538 40 0 HKABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000013709149 558575302 /nfs/dbraw/zinc/57/53/02/558575302.db2.gz WVERSDNKKDTQRD-IBGZPJMESA-N 0 0 413.542 6.538 40 0 HKABRN C[C@@H](Oc1cccc2ccccc21)C(=O)NCCSCc1c(F)cccc1Cl ZINC000013709199 558575287 /nfs/dbraw/zinc/57/52/87/558575287.db2.gz ZVJFILKBDGZHNE-OAHLLOKOSA-N 0 0 417.933 5.449 40 0 HKABRN C[C@H](Oc1cccc2ccccc21)C(=O)NCCSCc1c(F)cccc1Cl ZINC000013709200 558575335 /nfs/dbraw/zinc/57/53/35/558575335.db2.gz ZVJFILKBDGZHNE-HNNXBMFYSA-N 0 0 417.933 5.449 40 0 HKABRN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000013709328 558575327 /nfs/dbraw/zinc/57/53/27/558575327.db2.gz KIULCYPVORMCCD-GFCCVEGCSA-N 0 0 404.691 5.662 40 0 HKABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000013709330 558575313 /nfs/dbraw/zinc/57/53/13/558575313.db2.gz KIULCYPVORMCCD-LBPRGKRZSA-N 0 0 404.691 5.662 40 0 HKABRN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000013709336 558575425 /nfs/dbraw/zinc/57/54/25/558575425.db2.gz TYYYZRNTVHRGSV-QGZVFWFLSA-N 0 0 417.892 6.692 40 0 HKABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000013709338 558575399 /nfs/dbraw/zinc/57/53/99/558575399.db2.gz TYYYZRNTVHRGSV-KRWDZBQOSA-N 0 0 417.892 6.692 40 0 HKABRN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000013709430 558575402 /nfs/dbraw/zinc/57/54/02/558575402.db2.gz FMHVKTCPEDZODB-LJQANCHMSA-N 0 0 416.521 5.262 40 0 HKABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000013709432 558575460 /nfs/dbraw/zinc/57/54/60/558575460.db2.gz FMHVKTCPEDZODB-IBGZPJMESA-N 0 0 416.521 5.262 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3cccc4ccccc43)ccc21 ZINC000013709510 558575441 /nfs/dbraw/zinc/57/54/41/558575441.db2.gz BBAUVAKRMVUZGL-GOSISDBHSA-N 0 0 408.501 6.374 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3cccc4ccccc43)ccc21 ZINC000013709512 558575429 /nfs/dbraw/zinc/57/54/29/558575429.db2.gz BBAUVAKRMVUZGL-SFHVURJKSA-N 0 0 408.501 6.374 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000013709793 558575395 /nfs/dbraw/zinc/57/53/95/558575395.db2.gz CCQBIFAPETXFRG-QGZVFWFLSA-N 0 0 411.954 6.347 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H](C)Oc1ccccc1Cl ZINC000013709795 558575493 /nfs/dbraw/zinc/57/54/93/558575493.db2.gz CCQBIFAPETXFRG-KRWDZBQOSA-N 0 0 411.954 6.347 40 0 HKABRN C[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000013709800 558575387 /nfs/dbraw/zinc/57/53/87/558575387.db2.gz WXXONCIDSJYINU-GFCCVEGCSA-N 0 0 418.773 5.464 40 0 HKABRN C[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000013709802 558575502 /nfs/dbraw/zinc/57/55/02/558575502.db2.gz WXXONCIDSJYINU-LBPRGKRZSA-N 0 0 418.773 5.464 40 0 HKABRN C[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000013709807 558575383 /nfs/dbraw/zinc/57/53/83/558575383.db2.gz OUZPMUCJCNBCLF-GFCCVEGCSA-N 0 0 418.773 5.464 40 0 HKABRN C[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000013709809 558575474 /nfs/dbraw/zinc/57/54/74/558575474.db2.gz OUZPMUCJCNBCLF-LBPRGKRZSA-N 0 0 418.773 5.464 40 0 HKABRN C[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000013709836 558575391 /nfs/dbraw/zinc/57/53/91/558575391.db2.gz GVUDNWXCIHEQFN-GFCCVEGCSA-N 0 0 418.773 5.464 40 0 HKABRN C[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000013709838 558575451 /nfs/dbraw/zinc/57/54/51/558575451.db2.gz GVUDNWXCIHEQFN-LBPRGKRZSA-N 0 0 418.773 5.464 40 0 HKABRN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000013709852 558575641 /nfs/dbraw/zinc/57/56/41/558575641.db2.gz INUSCPWBGGHFOD-ASXFNGKXSA-N 0 0 409.957 6.214 40 0 HKABRN C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000013709854 558575665 /nfs/dbraw/zinc/57/56/65/558575665.db2.gz INUSCPWBGGHFOD-DUXBZUBYSA-N 0 0 409.957 6.214 40 0 HKABRN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000013709949 558575605 /nfs/dbraw/zinc/57/56/05/558575605.db2.gz LIBPFZSLNMCLBR-CQSZACIVSA-N 0 0 402.277 6.192 40 0 HKABRN C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000013709951 558575689 /nfs/dbraw/zinc/57/56/89/558575689.db2.gz LIBPFZSLNMCLBR-AWEZNQCLSA-N 0 0 402.277 6.192 40 0 HKABRN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000013710021 558575635 /nfs/dbraw/zinc/57/56/35/558575635.db2.gz OWURQYCMMZASEA-CQSZACIVSA-N 0 0 414.288 5.630 40 0 HKABRN C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000013710023 558575626 /nfs/dbraw/zinc/57/56/26/558575626.db2.gz OWURQYCMMZASEA-AWEZNQCLSA-N 0 0 414.288 5.630 40 0 HKABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 ZINC000013710495 558575673 /nfs/dbraw/zinc/57/56/73/558575673.db2.gz AZXWFZONNUIMOY-HXUWFJFHSA-N 0 0 405.563 6.310 40 0 HKABRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 ZINC000013710497 558575638 /nfs/dbraw/zinc/57/56/38/558575638.db2.gz AZXWFZONNUIMOY-FQEVSTJZSA-N 0 0 405.563 6.310 40 0 HKABRN Cc1ccc(C)c(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 ZINC000013710504 558575622 /nfs/dbraw/zinc/57/56/22/558575622.db2.gz YYZZMOFTCIBMAA-OAHLLOKOSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1ccc(C)c(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 ZINC000013710506 558575649 /nfs/dbraw/zinc/57/56/49/558575649.db2.gz YYZZMOFTCIBMAA-HNNXBMFYSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1ccc(C)c(O[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 ZINC000013710512 558575652 /nfs/dbraw/zinc/57/56/52/558575652.db2.gz HTQRZIYXEZCNKP-OAHLLOKOSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1ccc(C)c(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 ZINC000013710514 558575671 /nfs/dbraw/zinc/57/56/71/558575671.db2.gz HTQRZIYXEZCNKP-HNNXBMFYSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1ccc(C)c(O[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c1 ZINC000013710547 558575692 /nfs/dbraw/zinc/57/56/92/558575692.db2.gz OFBMKLKZMFAFEJ-OAHLLOKOSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1ccc(C)c(O[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c1 ZINC000013710549 558575687 /nfs/dbraw/zinc/57/56/87/558575687.db2.gz OFBMKLKZMFAFEJ-HNNXBMFYSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000013710567 558575680 /nfs/dbraw/zinc/57/56/80/558575680.db2.gz PPJBUJUPHCUHSU-WXLHYIFQSA-N 0 0 403.566 6.177 40 0 HKABRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000013710568 558575846 /nfs/dbraw/zinc/57/58/46/558575846.db2.gz PPJBUJUPHCUHSU-MQAYZUIZSA-N 0 0 403.566 6.177 40 0 HKABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000013710801 558575889 /nfs/dbraw/zinc/57/58/89/558575889.db2.gz HJBNYQLNWGDVID-QGZVFWFLSA-N 0 0 407.897 5.594 40 0 HKABRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000013710803 558575877 /nfs/dbraw/zinc/57/58/77/558575877.db2.gz HJBNYQLNWGDVID-KRWDZBQOSA-N 0 0 407.897 5.594 40 0 HKABRN O=C(CC(c1ccccc1)c1ccccc1)NCCSCc1ccccc1Cl ZINC000013716974 558579765 /nfs/dbraw/zinc/57/97/65/558579765.db2.gz BNQXJNPEIPRWAT-UHFFFAOYSA-N 0 0 409.982 5.912 40 0 HKABRN O=C(CC(c1ccccc1)c1ccccc1)NCCSCc1cccc(Cl)c1 ZINC000013716976 558579796 /nfs/dbraw/zinc/57/97/96/558579796.db2.gz NVJVCSFDLGDAQQ-UHFFFAOYSA-N 0 0 409.982 5.912 40 0 HKABRN O=C(CC(c1ccccc1)c1ccccc1)NCCSCc1ccc(Cl)cc1 ZINC000013716978 558579785 /nfs/dbraw/zinc/57/97/85/558579785.db2.gz NJISRICHTIUGHK-UHFFFAOYSA-N 0 0 409.982 5.912 40 0 HKABRN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013716989 558580059 /nfs/dbraw/zinc/58/00/59/558580059.db2.gz UDCXJVWWZPMHRK-UHFFFAOYSA-N 0 0 403.831 6.520 40 0 HKABRN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(CSc2ccccc2)cc1 ZINC000013716991 558580044 /nfs/dbraw/zinc/58/00/44/558580044.db2.gz XXXQZICQZWEESM-UHFFFAOYSA-N 0 0 423.581 7.140 40 0 HKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000013717021 132459026 /nfs/dbraw/zinc/45/90/26/132459026.db2.gz BLFFTRGDXXZQPG-UHFFFAOYSA-N 0 0 418.968 5.519 40 0 HKABRN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Br)c(Cl)c1 ZINC000013717027 558579982 /nfs/dbraw/zinc/57/99/82/558579982.db2.gz UOASCXQQKFNHNT-UHFFFAOYSA-N 0 0 414.730 6.263 40 0 HKABRN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1Sc1ccccc1 ZINC000013717031 558579967 /nfs/dbraw/zinc/57/99/67/558579967.db2.gz OOJCADNNVUTGQL-UHFFFAOYSA-N 0 0 409.554 6.999 40 0 HKABRN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)N1CCCCC1 ZINC000013717053 558580002 /nfs/dbraw/zinc/58/00/02/558580002.db2.gz OZXQGSDLVIMMMG-UHFFFAOYSA-N 0 0 412.533 5.473 40 0 HKABRN CCN(CC)C(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000013717057 558580015 /nfs/dbraw/zinc/58/00/15/558580015.db2.gz LJTBQGXBEYRBQT-UHFFFAOYSA-N 0 0 400.522 5.329 40 0 HKABRN O=C(N(Cc1ccccc1)Cc1ccccc1)N1c2ccccc2Sc2ccccc21 ZINC000013717068 132459009 /nfs/dbraw/zinc/45/90/09/132459009.db2.gz ALUHHVUVPPVPCI-UHFFFAOYSA-N 0 0 422.553 7.112 40 0 HKABRN O=C(NCCSc1ccc(Cl)cc1)N1c2ccccc2Sc2ccccc21 ZINC000013717098 558579992 /nfs/dbraw/zinc/57/99/92/558579992.db2.gz KTYBPBRLZWKXOY-UHFFFAOYSA-N 0 0 412.967 6.445 40 0 HKABRN Cc1ccc(CSCCNC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000013717102 558580029 /nfs/dbraw/zinc/58/00/29/558580029.db2.gz QBJCOYOLSTXYRB-UHFFFAOYSA-N 0 0 406.576 6.241 40 0 HKABRN O=C(NCc1ccc(Cl)cc1Cl)N1c2ccccc2Sc2ccccc21 ZINC000013717110 558580047 /nfs/dbraw/zinc/58/00/47/558580047.db2.gz FGMOQUZMHUSMJP-UHFFFAOYSA-N 0 0 401.318 6.506 40 0 HKABRN Cc1cc(NC(=O)N2c3ccccc3Sc3ccccc32)ccc1Br ZINC000013717136 132459055 /nfs/dbraw/zinc/45/90/55/132459055.db2.gz BAHMDJKHODQYBT-UHFFFAOYSA-N 0 0 411.324 6.592 40 0 HKABRN Cc1cccc(CSCCNC(=O)N2c3ccccc3Sc3ccccc32)c1 ZINC000013717146 132459042 /nfs/dbraw/zinc/45/90/42/132459042.db2.gz VXBLNKCEPYJJGL-UHFFFAOYSA-N 0 0 406.576 6.241 40 0 HKABRN Cc1ccccc1CSCCNC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013717164 558580053 /nfs/dbraw/zinc/58/00/53/558580053.db2.gz AMJMAZAFORPASQ-UHFFFAOYSA-N 0 0 406.576 6.241 40 0 HKABRN O=C(Nc1ccccc1C(=O)N1CCCC1)N1c2ccccc2Sc2ccccc21 ZINC000013717179 132459046 /nfs/dbraw/zinc/45/90/46/132459046.db2.gz QPOVLLVBDVRAJX-UHFFFAOYSA-N 0 0 415.518 5.757 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1c2ccccc2Sc2ccccc21 ZINC000013717194 558580024 /nfs/dbraw/zinc/58/00/24/558580024.db2.gz VYKBAXQSVMRSOI-UHFFFAOYSA-N 0 0 420.843 7.194 40 0 HKABRN COC(=O)c1cc(NC(=O)N2c3ccccc3Sc3ccccc32)ccc1Cl ZINC000013717235 558580007 /nfs/dbraw/zinc/58/00/07/558580007.db2.gz NLTUTNIZSPUJTB-UHFFFAOYSA-N 0 0 410.882 5.961 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=O)N2c3ccccc3Sc3ccccc32)c1 ZINC000013717237 536713095 /nfs/dbraw/zinc/71/30/95/536713095.db2.gz ZDMCVOLLBBQBOC-UHFFFAOYSA-N 0 0 410.882 5.961 40 0 HKABRN O=C(Nc1ccccc1Oc1ccccc1)N1c2ccccc2Sc2ccccc21 ZINC000013717253 132459035 /nfs/dbraw/zinc/45/90/35/132459035.db2.gz CWVOUMVQPABSBD-UHFFFAOYSA-N 0 0 410.498 7.314 40 0 HKABRN CCN(CC)C(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013717259 558579970 /nfs/dbraw/zinc/57/99/70/558579970.db2.gz QJYKRAXVEFYPDQ-UHFFFAOYSA-N 0 0 417.534 6.003 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000013717263 558580032 /nfs/dbraw/zinc/58/00/32/558580032.db2.gz YYBFDFCWXHWIQE-UHFFFAOYSA-N 0 0 418.518 6.478 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)N1c2ccccc2Sc2ccccc21 ZINC000013717267 132459068 /nfs/dbraw/zinc/45/90/68/132459068.db2.gz JNHVIWHDXSNPCL-UHFFFAOYSA-N 0 0 420.843 7.194 40 0 HKABRN O=C(NC(c1ccccc1)c1ccccc1)N1c2ccccc2Sc2ccccc21 ZINC000013717269 558580020 /nfs/dbraw/zinc/58/00/20/558580020.db2.gz PMVCCRLHQVUGPA-UHFFFAOYSA-N 0 0 408.526 6.789 40 0 HKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)N1c2ccccc2Sc2ccccc21 ZINC000013717284 558579988 /nfs/dbraw/zinc/57/99/88/558579988.db2.gz AFQRWSVGEZOANN-UHFFFAOYSA-N 0 0 421.736 7.482 40 0 HKABRN Brc1ccc(-c2ccc(CNCc3ccco3)o2)c(Br)c1 ZINC000013730748 560827601 /nfs/dbraw/zinc/82/76/01/560827601.db2.gz AWLDUQVELOQRJS-UHFFFAOYSA-N 0 0 411.093 5.354 40 0 HKABRN CC[C@H]1[C@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)C)cc1 ZINC000013757258 132459236 /nfs/dbraw/zinc/45/92/36/132459236.db2.gz WOCICPKRZGZPEY-QOAWAWRESA-N 0 0 412.577 7.038 40 0 HKABRN O=C1[C@@H](c2ccccc2)[C@H](c2cccs2)N[C@H](c2cccs2)[C@@H]1c1ccccc1 ZINC000013799778 558594584 /nfs/dbraw/zinc/59/45/84/558594584.db2.gz UCZYTGZNLXWZAW-NEWJYFPISA-N 0 0 415.583 6.332 40 0 HKABRN C[P@@](=O)(O[C@H](c1ccccc1)C(F)(F)F)O[C@@H](c1ccccc1)C(F)(F)F ZINC000013815932 558884666 /nfs/dbraw/zinc/88/46/66/558884666.db2.gz SAJRACRBCCSRNH-DCIDGTAHSA-N 0 0 412.266 6.450 40 0 HKABRN S=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000013825569 558596441 /nfs/dbraw/zinc/59/64/41/558596441.db2.gz KKBBQJCRMJGEAQ-UHFFFAOYSA-N 0 0 401.362 6.393 40 0 HKABRN O=C(Nc1cccc(Nc2cc(Nc3cccc(C(F)(F)F)c3)ncn2)c1)C1CC1 ZINC000013831337 560220656 /nfs/dbraw/zinc/22/06/56/560220656.db2.gz YOHYSYJDKVYCJI-UHFFFAOYSA-N 0 0 413.403 5.331 40 0 in-vitro HKABRN Cn1c(COc2ccccc2Cl)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000013841743 560829991 /nfs/dbraw/zinc/82/99/91/560829991.db2.gz MKPWGVXIWVYPHW-UHFFFAOYSA-N 0 0 414.745 5.647 40 0 HKABRN CCc1ccc(OCc2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1 ZINC000013842072 560829986 /nfs/dbraw/zinc/82/99/86/560829986.db2.gz BRUCWPRRWQCGDV-UHFFFAOYSA-N 0 0 408.354 5.556 40 0 HKABRN CCc1ccc(OCc2nnc(SCc3ccc(Cl)c(Cl)c3)n2CC)cc1 ZINC000013842194 560830099 /nfs/dbraw/zinc/83/00/99/560830099.db2.gz NFGYMVMGNGQFFP-UHFFFAOYSA-N 0 0 422.381 6.039 40 0 HKABRN CC(C)c1ccc(OCc2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1 ZINC000013842387 560830114 /nfs/dbraw/zinc/83/01/14/560830114.db2.gz SPJHZDTYYVQHFA-UHFFFAOYSA-N 0 0 422.381 6.117 40 0 HKABRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000013842658 560830175 /nfs/dbraw/zinc/83/01/75/560830175.db2.gz HWCKQYOQMFLLPY-UHFFFAOYSA-N 0 0 424.570 5.040 40 0 HKABRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000013842660 560830208 /nfs/dbraw/zinc/83/02/08/560830208.db2.gz VMLHBMUFLGPEDR-UHFFFAOYSA-N 0 0 424.570 5.040 40 0 HKABRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccccc1C ZINC000013842663 560830171 /nfs/dbraw/zinc/83/01/71/560830171.db2.gz WSAZUVUTUDUPKY-UHFFFAOYSA-N 0 0 424.570 5.040 40 0 HKABRN CCn1c(SCc2ccc(Br)cc2)nnc1[C@@H](C)Oc1ccccc1 ZINC000013849850 558886832 /nfs/dbraw/zinc/88/68/32/558886832.db2.gz NHWVIWSVEHHHKT-CQSZACIVSA-N 0 0 418.360 5.493 40 0 HKABRN CCn1c(SCc2ccc(Br)cc2)nnc1[C@H](C)Oc1ccccc1 ZINC000013849852 558886842 /nfs/dbraw/zinc/88/68/42/558886842.db2.gz NHWVIWSVEHHHKT-AWEZNQCLSA-N 0 0 418.360 5.493 40 0 HKABRN CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1[C@@H](C)Oc1ccccc1 ZINC000013850075 558886828 /nfs/dbraw/zinc/88/68/28/558886828.db2.gz ATBYMBMREZRSDF-QGZVFWFLSA-N 0 0 424.570 5.292 40 0 HKABRN CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1[C@H](C)Oc1ccccc1 ZINC000013850077 558886869 /nfs/dbraw/zinc/88/68/69/558886869.db2.gz ATBYMBMREZRSDF-KRWDZBQOSA-N 0 0 424.570 5.292 40 0 HKABRN CCc1ccc(O[C@@H](C)c2nnc(SCc3ccc(Cl)cc3)n2CC)cc1 ZINC000013871442 560829126 /nfs/dbraw/zinc/82/91/26/560829126.db2.gz YIDDNSDUHGYPCJ-HNNXBMFYSA-N 0 0 401.963 5.946 40 0 HKABRN CCc1ccc(O[C@H](C)c2nnc(SCc3ccc(Cl)cc3)n2CC)cc1 ZINC000013871443 560829148 /nfs/dbraw/zinc/82/91/48/560829148.db2.gz YIDDNSDUHGYPCJ-OAHLLOKOSA-N 0 0 401.963 5.946 40 0 HKABRN CCc1ccc(O[C@@H](C)c2nnc(SCc3ccccc3Cl)n2CC)cc1 ZINC000013871448 560829157 /nfs/dbraw/zinc/82/91/57/560829157.db2.gz QXBDGZPEHFLUKZ-HNNXBMFYSA-N 0 0 401.963 5.946 40 0 HKABRN CCc1ccc(O[C@H](C)c2nnc(SCc3ccccc3Cl)n2CC)cc1 ZINC000013871449 560829153 /nfs/dbraw/zinc/82/91/53/560829153.db2.gz QXBDGZPEHFLUKZ-OAHLLOKOSA-N 0 0 401.963 5.946 40 0 HKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3)n2CC)cc1 ZINC000013871536 560829182 /nfs/dbraw/zinc/82/91/82/560829182.db2.gz MJKLDTAIIOJQBY-KRWDZBQOSA-N 0 0 424.570 5.040 40 0 HKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3)n2CC)cc1 ZINC000013871537 560829188 /nfs/dbraw/zinc/82/91/88/560829188.db2.gz MJKLDTAIIOJQBY-QGZVFWFLSA-N 0 0 424.570 5.040 40 0 HKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cccc(C)c3)n2CC)cc1 ZINC000013871538 560829228 /nfs/dbraw/zinc/82/92/28/560829228.db2.gz ZZKDOMCZRHTFCY-KRWDZBQOSA-N 0 0 424.570 5.040 40 0 HKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cccc(C)c3)n2CC)cc1 ZINC000013871539 560829179 /nfs/dbraw/zinc/82/91/79/560829179.db2.gz ZZKDOMCZRHTFCY-QGZVFWFLSA-N 0 0 424.570 5.040 40 0 HKABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3C)n2CC)cc1 ZINC000013871540 560829193 /nfs/dbraw/zinc/82/91/93/560829193.db2.gz JWFZJJHRJLJWRH-KRWDZBQOSA-N 0 0 424.570 5.040 40 0 HKABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccccc3C)n2CC)cc1 ZINC000013871541 560829204 /nfs/dbraw/zinc/82/92/04/560829204.db2.gz JWFZJJHRJLJWRH-QGZVFWFLSA-N 0 0 424.570 5.040 40 0 HKABRN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccccc1OCC)C(C)(C)N2 ZINC000013892928 558599874 /nfs/dbraw/zinc/59/98/74/558599874.db2.gz AXDPLBOQZPZEQI-LNVKXUELSA-N 0 0 412.580 6.167 40 0 HKABRN CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3C(F)(F)F)c2c1 ZINC000013899804 560829313 /nfs/dbraw/zinc/82/93/13/560829313.db2.gz DKIBGAJSKVTHMV-UHFFFAOYSA-N 0 0 420.434 6.735 40 0 HKABRN COCCCNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c(C)cc(C)cc12 ZINC000013907903 560830151 /nfs/dbraw/zinc/83/01/51/560830151.db2.gz DMBXPDJRJIAHET-UHFFFAOYSA-N 0 0 417.336 5.592 40 0 HKABRN C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C ZINC000013911941 558601952 /nfs/dbraw/zinc/60/19/52/558601952.db2.gz BPKAHTKRCLCHEA-UBFJEZKGSA-N 0 0 416.646 5.561 40 0 fda HKABRN COc1cc(/C=C2\SC(=O)N(c3ccc(F)cc3)C2=O)c(Cl)cc1OC(C)C ZINC000013914357 558832545 /nfs/dbraw/zinc/83/25/45/558832545.db2.gz MWVUBIXDYJVTLH-NVMNQCDNSA-N 0 0 421.877 5.516 40 0 HKABRN CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)Nc2ccccc21 ZINC000013914632 558832567 /nfs/dbraw/zinc/83/25/67/558832567.db2.gz RKHXJVXTUDRNAT-JYRVWZFOSA-N 0 0 423.104 5.103 40 0 HKABRN Cc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)C(=O)O2)cc1 ZINC000013924051 560830418 /nfs/dbraw/zinc/83/04/18/560830418.db2.gz XSQQFPZTDIFIQM-STZFKDTASA-N 0 0 417.848 5.212 40 0 HKABRN CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000013924865 560830445 /nfs/dbraw/zinc/83/04/45/560830445.db2.gz REBCGVWRQZINID-JCMHNJIXSA-N 0 0 413.473 5.317 40 0 HKABRN COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000013924899 560830436 /nfs/dbraw/zinc/83/04/36/560830436.db2.gz HEZFVFIFJNLFBH-MOSHPQCFSA-N 0 0 419.864 5.272 40 0 HKABRN COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OCc1ccccc1 ZINC000013925098 560830440 /nfs/dbraw/zinc/83/04/40/560830440.db2.gz AKCLVYDGGJVIOX-MOSHPQCFSA-N 0 0 419.864 5.272 40 0 HKABRN Cc1ccccc1COc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 ZINC000013925136 560830448 /nfs/dbraw/zinc/83/04/48/560830448.db2.gz PUPOFAUEZOCQII-HMAPJEAMSA-N 0 0 403.865 5.572 40 0 HKABRN Cc1cccc(COc2ccc(/C=C3\N=C(c4ccccc4Cl)OC3=O)cc2)c1 ZINC000013925143 560830466 /nfs/dbraw/zinc/83/04/66/560830466.db2.gz QIURQTUGNQUBGY-HMAPJEAMSA-N 0 0 403.865 5.572 40 0 HKABRN Cc1ccc(COc2ccc(/C=C3\N=C(c4ccccc4Cl)OC3=O)cc2)cc1 ZINC000013925149 560830422 /nfs/dbraw/zinc/83/04/22/560830422.db2.gz SGEAKKBTGPKQNM-HMAPJEAMSA-N 0 0 403.865 5.572 40 0 HKABRN COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000013925399 560830460 /nfs/dbraw/zinc/83/04/60/560830460.db2.gz JYZXPFWBOVQICB-HMAPJEAMSA-N 0 0 413.473 5.236 40 0 HKABRN Cc1ccc(C2=N/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)O2)cc1 ZINC000013925437 560830447 /nfs/dbraw/zinc/83/04/47/560830447.db2.gz SIQVRGRKSZFIRI-HMAPJEAMSA-N 0 0 403.865 5.572 40 0 HKABRN Cc1ccc(C2=N/C(=C\c3ccccc3OCc3ccccc3Cl)C(=O)O2)cc1 ZINC000013925452 560830416 /nfs/dbraw/zinc/83/04/16/560830416.db2.gz NFOFKFCBPCHBIA-STZFKDTASA-N 0 0 403.865 5.572 40 0 HKABRN COc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000013926191 560830500 /nfs/dbraw/zinc/83/05/00/560830500.db2.gz KQIOARIZHNFLKZ-MTJSOVHGSA-N 0 0 417.436 5.066 40 0 HKABRN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000013926218 560830506 /nfs/dbraw/zinc/83/05/06/560830506.db2.gz FZBAEKMJQKUNNV-MTJSOVHGSA-N 0 0 407.828 5.403 40 0 HKABRN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000013926231 558602631 /nfs/dbraw/zinc/60/26/31/558602631.db2.gz DIJRHZGBDQEQLW-MTJSOVHGSA-N 0 0 407.828 5.403 40 0 HKABRN O=C1OC(c2cccc(F)c2)=N/C1=C\c1cccc(OCc2ccccc2Cl)c1 ZINC000013926232 558602695 /nfs/dbraw/zinc/60/26/95/558602695.db2.gz YRBUXDIXWVTNHY-MTJSOVHGSA-N 0 0 407.828 5.403 40 0 HKABRN Cc1ccccc1C1=N/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)O1 ZINC000013927350 558602555 /nfs/dbraw/zinc/60/25/55/558602555.db2.gz SPSRNQCDWTZSPR-PDGQHHTCSA-N 0 0 408.251 5.362 40 0 HKABRN COc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)ccc1OCc1cccc(C)c1 ZINC000013927435 560830552 /nfs/dbraw/zinc/83/05/52/560830552.db2.gz CLLBRZUGYUZRDT-HMAPJEAMSA-N 0 0 413.473 5.236 40 0 HKABRN O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000013928055 558602687 /nfs/dbraw/zinc/60/26/87/558602687.db2.gz UBGQXBUAYOZTOE-BOPFTXTBSA-N 0 0 412.214 5.193 40 0 HKABRN COc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)ccc1OCc1cccc(C)c1 ZINC000013928117 560830545 /nfs/dbraw/zinc/83/05/45/560830545.db2.gz UVQJAWPAGWYQDE-BKUYFWCQSA-N 0 0 417.436 5.066 40 0 HKABRN O=C1OC(c2ccccc2F)=N/C1=C\c1ccccc1OCc1ccc(Cl)cc1 ZINC000013928147 560830543 /nfs/dbraw/zinc/83/05/43/560830543.db2.gz LYMWBKFXJLDTEV-MOSHPQCFSA-N 0 0 407.828 5.403 40 0 HKABRN O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000013928156 560830498 /nfs/dbraw/zinc/83/04/98/560830498.db2.gz HNSXNJANCQIKNO-BKUYFWCQSA-N 0 0 407.828 5.403 40 0 HKABRN CCCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1OCC ZINC000013928752 558602823 /nfs/dbraw/zinc/60/28/23/558602823.db2.gz TYEOQKKDLUKLQY-YVLHZVERSA-N 0 0 420.292 5.525 40 0 HKABRN O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N(C1CCCCC1)C1CCCCC1 ZINC000013946681 569258318 /nfs/dbraw/zinc/25/83/18/569258318.db2.gz LQAAXKHAWXNOMQ-UHFFFAOYSA-N 0 0 424.821 6.303 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000013950569 558607507 /nfs/dbraw/zinc/60/75/07/558607507.db2.gz PVRHWMDXYWUIKU-UHFFFAOYSA-N 0 0 424.500 6.111 40 0 HKABRN COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3Cl)c3ccccc3n2)cc1 ZINC000013955424 558607443 /nfs/dbraw/zinc/60/74/43/558607443.db2.gz IOMQOGCMUDJTAK-UHFFFAOYSA-N 0 0 423.299 6.470 40 0 HKABRN COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3Cl)c3ccccc3n2)cc1 ZINC000013966196 558609808 /nfs/dbraw/zinc/60/98/08/558609808.db2.gz WZDWYVCUZFVARS-UHFFFAOYSA-N 0 0 423.299 6.470 40 0 HKABRN O=C(COc1ccc(Cl)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000013979547 558610410 /nfs/dbraw/zinc/61/04/10/558610410.db2.gz JHDXPNCKTIPFFR-UHFFFAOYSA-N 0 0 409.494 5.427 40 0 HKABRN O=C(COc1ccc(Cl)cc1Br)Nc1cc(Cl)cc(Cl)c1 ZINC000013979549 558610364 /nfs/dbraw/zinc/61/03/64/558610364.db2.gz ODUXPINWEZPIDY-UHFFFAOYSA-N 0 0 409.494 5.427 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000013981740 560831305 /nfs/dbraw/zinc/83/13/05/560831305.db2.gz YDMADDXQDSGMOP-UHFFFAOYSA-N 0 0 408.523 5.037 40 0 HKABRN COc1ccc2cc(CN(Cc3ccncc3)Cc3ccc(C)cc3)c(OC)nc2c1 ZINC000013989366 560831288 /nfs/dbraw/zinc/83/12/88/560831288.db2.gz GJJXOKOKFIUEIX-UHFFFAOYSA-N 0 0 413.521 5.158 40 0 HKABRN O=C(COc1ccc(Cl)cc1Br)Nc1cc(Cl)ccc1Cl ZINC000013989406 558611024 /nfs/dbraw/zinc/61/10/24/558611024.db2.gz XREFSQYNFRSBSN-UHFFFAOYSA-N 0 0 409.494 5.427 40 0 HKABRN CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)c(Br)c1 ZINC000013989432 558610975 /nfs/dbraw/zinc/61/09/75/558610975.db2.gz PGDIWUYEOBCVSJ-UHFFFAOYSA-N 0 0 403.103 5.336 40 0 HKABRN FC(F)(F)c1ccccc1CN(Cc1ccncc1)Cc1ccc2c(c1)OCO2 ZINC000013989745 560831474 /nfs/dbraw/zinc/83/14/74/560831474.db2.gz XXQJPBDSMDEZNL-UHFFFAOYSA-N 0 0 400.400 5.032 40 0 HKABRN COc1ccc(CN(Cc2ccncc2)Cc2c(F)cccc2Cl)cc1OC ZINC000013989932 560831466 /nfs/dbraw/zinc/83/14/66/560831466.db2.gz VIFUQGSQASVIGL-UHFFFAOYSA-N 0 0 400.881 5.094 40 0 HKABRN COc1ccc(CN(Cc2ccncc2)Cc2ccc(Cl)c(Cl)c2)cc1OC ZINC000013989935 560831468 /nfs/dbraw/zinc/83/14/68/560831468.db2.gz XXDJKUZOEXOJSG-UHFFFAOYSA-N 0 0 417.336 5.608 40 0 HKABRN Cc1ccc2[nH]cc(C(=O)CSc3nnc(-c4ccoc4)c(-c4ccoc4)n3)c2c1 ZINC000013990262 560831473 /nfs/dbraw/zinc/83/14/73/560831473.db2.gz YSYLHNHZLGDMGC-UHFFFAOYSA-N 0 0 416.462 5.156 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC000013991575 558611078 /nfs/dbraw/zinc/61/10/78/558611078.db2.gz ZVYDCNBXCRDKOA-UHFFFAOYSA-N 0 0 416.521 5.066 40 0 HKABRN Cc1ccc2c(c1)[nH]cc2C(=O)CSc1nnc(-c2ccoc2)c(-c2ccoc2)n1 ZINC000013992041 560831498 /nfs/dbraw/zinc/83/14/98/560831498.db2.gz HCNRHSYANWWHPG-UHFFFAOYSA-N 0 0 416.462 5.156 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1ccc2nc(-c3ccoc3)c(-c3ccoc3)nc2c1 ZINC000013992071 560831490 /nfs/dbraw/zinc/83/14/90/560831490.db2.gz MOPYKLKLBPDIFN-UHFFFAOYSA-N 0 0 415.836 6.056 40 0 HKABRN CC1(C)Cc2c(cnn2Cc2cccc(Cl)c2)[C@H](NC(=O)Cc2cccs2)C1 ZINC000013992450 560831594 /nfs/dbraw/zinc/83/15/94/560831594.db2.gz QCZFYNYFEZHSSK-LJQANCHMSA-N 0 0 413.974 5.019 40 0 HKABRN CC1(C)Cc2c(cnn2Cc2cccc(Cl)c2)[C@@H](NC(=O)Cc2cccs2)C1 ZINC000013992453 560831556 /nfs/dbraw/zinc/83/15/56/560831556.db2.gz QCZFYNYFEZHSSK-IBGZPJMESA-N 0 0 413.974 5.019 40 0 HKABRN Cc1cc(NC(=O)C(C)(C)Sc2nc(-c3ccccc3)nc3ccc(C)cc32)no1 ZINC000013995535 560831839 /nfs/dbraw/zinc/83/18/39/560831839.db2.gz FHIKNPOOKIYCOP-UHFFFAOYSA-N 0 0 418.522 5.411 40 0 HKABRN CC1CCN([C@H](c2nnnn2C2CCCCC2)c2cc(Cl)c3ccccc3n2)CC1 ZINC000013999020 560832207 /nfs/dbraw/zinc/83/22/07/560832207.db2.gz ZGWGQUWYYQIPNV-QFIPXVFZSA-N 0 0 424.980 5.201 40 0 HKABRN CC1CCN([C@@H](c2nnnn2C2CCCCC2)c2cc(Cl)c3ccccc3n2)CC1 ZINC000013999021 560832203 /nfs/dbraw/zinc/83/22/03/560832203.db2.gz ZGWGQUWYYQIPNV-JOCHJYFZSA-N 0 0 424.980 5.201 40 0 HKABRN CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000013999425 558612049 /nfs/dbraw/zinc/61/20/49/558612049.db2.gz QRKOFRGAZMUAHG-IBGZPJMESA-N 0 0 416.521 5.319 40 0 HKABRN CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000013999428 558612036 /nfs/dbraw/zinc/61/20/36/558612036.db2.gz QRKOFRGAZMUAHG-LJQANCHMSA-N 0 0 416.521 5.319 40 0 HKABRN C[C@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1Cl)c1ccccc1 ZINC000013999431 560832201 /nfs/dbraw/zinc/83/22/01/560832201.db2.gz XHFCNKMIWYRORW-IWLLYFRBSA-N 0 0 404.897 5.483 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1Cl)c1ccccc1 ZINC000013999434 560832198 /nfs/dbraw/zinc/83/21/98/560832198.db2.gz XHFCNKMIWYRORW-INFVRCAFSA-N 0 0 404.897 5.483 40 0 HKABRN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1Br)c1ccccc1 ZINC000013999469 558611973 /nfs/dbraw/zinc/61/19/73/558611973.db2.gz ROHMVQNEESSHBG-HNNXBMFYSA-N 0 0 423.310 5.192 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1Br)c1ccccc1 ZINC000013999472 558611977 /nfs/dbraw/zinc/61/19/77/558611977.db2.gz ROHMVQNEESSHBG-OAHLLOKOSA-N 0 0 423.310 5.192 40 0 HKABRN C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000013999520 558612006 /nfs/dbraw/zinc/61/20/06/558612006.db2.gz DFGHWAOTEAEYTB-IBGZPJMESA-N 0 0 424.500 5.348 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000013999524 558612014 /nfs/dbraw/zinc/61/20/14/558612014.db2.gz DFGHWAOTEAEYTB-LJQANCHMSA-N 0 0 424.500 5.348 40 0 HKABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000013999719 558612022 /nfs/dbraw/zinc/61/20/22/558612022.db2.gz QJTFGYTXZGUNBP-CVDCTZTESA-N 0 0 416.521 5.282 40 0 HKABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000013999722 558612025 /nfs/dbraw/zinc/61/20/25/558612025.db2.gz QJTFGYTXZGUNBP-WMZHIEFXSA-N 0 0 416.521 5.282 40 0 HKABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000013999725 558612043 /nfs/dbraw/zinc/61/20/43/558612043.db2.gz QJTFGYTXZGUNBP-XXBNENTESA-N 0 0 416.521 5.282 40 0 HKABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000013999728 558611981 /nfs/dbraw/zinc/61/19/81/558611981.db2.gz QJTFGYTXZGUNBP-AUSIDOKSSA-N 0 0 416.521 5.282 40 0 HKABRN COc1cccc([C@@H](N[C@@H](c2ccccc2)c2cccc(OC)c2)c2ccccc2)c1 ZINC000014001774 560837333 /nfs/dbraw/zinc/83/73/33/560837333.db2.gz MJCIFWVHUKSYLK-NSOVKSMOSA-N 0 0 409.529 6.172 40 0 HKABRN COc1cccc([C@H](N[C@@H](c2ccccc2)c2cccc(OC)c2)c2ccccc2)c1 ZINC000014001781 560837292 /nfs/dbraw/zinc/83/72/92/560837292.db2.gz MJCIFWVHUKSYLK-HNRBIFIRSA-N 0 0 409.529 6.172 40 0 HKABRN COc1cccc([C@H](N[C@H](c2ccccc2)c2cccc(OC)c2)c2ccccc2)c1 ZINC000014001784 560837321 /nfs/dbraw/zinc/83/73/21/560837321.db2.gz MJCIFWVHUKSYLK-VSGBNLITSA-N 0 0 409.529 6.172 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc2ccccc2c1Br ZINC000014002516 558612362 /nfs/dbraw/zinc/61/23/62/558612362.db2.gz ABZRIPYNTVPAIR-UHFFFAOYSA-N 0 0 404.691 5.582 40 0 HKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000014002789 560837409 /nfs/dbraw/zinc/83/74/09/560837409.db2.gz NABBWKJLWWPXOC-UHFFFAOYSA-N 0 0 421.324 5.027 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 ZINC000014002842 558612349 /nfs/dbraw/zinc/61/23/49/558612349.db2.gz QBXZMRJIUHDYHV-UHFFFAOYSA-N 0 0 408.542 5.152 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1C ZINC000014004888 560837411 /nfs/dbraw/zinc/83/74/11/560837411.db2.gz ZWHGDSHGQGIUHW-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c(C)c1 ZINC000014004894 560837370 /nfs/dbraw/zinc/83/73/70/560837370.db2.gz VRXIWYNMHPGSBA-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000014007056 560837521 /nfs/dbraw/zinc/83/75/21/560837521.db2.gz IPPYBCUQZSIUNI-DLBZAZTESA-N 0 0 422.912 5.237 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccccc1 ZINC000014007058 560837506 /nfs/dbraw/zinc/83/75/06/560837506.db2.gz IPPYBCUQZSIUNI-IAGOWNOFSA-N 0 0 422.912 5.237 40 0 HKABRN C[C@H](NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccccc1 ZINC000014007060 560837509 /nfs/dbraw/zinc/83/75/09/560837509.db2.gz IPPYBCUQZSIUNI-IRXDYDNUSA-N 0 0 422.912 5.237 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccccc1 ZINC000014007062 560837508 /nfs/dbraw/zinc/83/75/08/560837508.db2.gz IPPYBCUQZSIUNI-SJORKVTESA-N 0 0 422.912 5.237 40 0 HKABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000014022807 558614273 /nfs/dbraw/zinc/61/42/73/558614273.db2.gz RZKHVDQKCKTIAG-CYFREDJKSA-N 0 0 416.521 5.282 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000014022810 558614322 /nfs/dbraw/zinc/61/43/22/558614322.db2.gz RZKHVDQKCKTIAG-YADARESESA-N 0 0 416.521 5.282 40 0 HKABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000014022813 558614578 /nfs/dbraw/zinc/61/45/78/558614578.db2.gz RZKHVDQKCKTIAG-DVECYGJZSA-N 0 0 416.521 5.282 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000014022816 558614518 /nfs/dbraw/zinc/61/45/18/558614518.db2.gz RZKHVDQKCKTIAG-NTKDMRAZSA-N 0 0 416.521 5.282 40 0 HKABRN CCCCCCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1 ZINC000014028178 560838142 /nfs/dbraw/zinc/83/81/42/560838142.db2.gz WLEMLDOTHKSJLN-UHFFFAOYSA-N 0 0 423.294 5.503 40 0 HKABRN CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cccs1 ZINC000014062579 559147494 /nfs/dbraw/zinc/14/74/94/559147494.db2.gz PJRNMFWZBDYIPS-UHFFFAOYSA-N 0 0 413.355 5.064 40 0 HKABRN CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccc1Cl ZINC000014068056 560838274 /nfs/dbraw/zinc/83/82/74/560838274.db2.gz YZELRACVZDCMCH-UHFFFAOYSA-N 0 0 407.326 5.003 40 0 HKABRN CCn1c(SCc2cccc(Br)c2)nnc1-c1ccccc1Cl ZINC000014068168 558617011 /nfs/dbraw/zinc/61/70/11/558617011.db2.gz MNTKSVBNWZDRHJ-UHFFFAOYSA-N 0 0 408.752 5.673 40 0 HKABRN Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1Cl ZINC000014069715 560838287 /nfs/dbraw/zinc/83/82/87/560838287.db2.gz ADNZYJWOOKRWLM-UHFFFAOYSA-N 0 0 419.164 6.388 40 0 HKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)c(C)c1 ZINC000014069823 560838281 /nfs/dbraw/zinc/83/82/81/560838281.db2.gz XKUURQOZNQRALQ-UHFFFAOYSA-N 0 0 421.353 5.137 40 0 HKABRN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)c1 ZINC000014069825 560838280 /nfs/dbraw/zinc/83/82/80/560838280.db2.gz BUUZZHXVKMKXPW-UHFFFAOYSA-N 0 0 421.353 5.137 40 0 HKABRN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)c1 ZINC000014069827 560838301 /nfs/dbraw/zinc/83/83/01/560838301.db2.gz JRPKUQXUEYLEAO-UHFFFAOYSA-N 0 0 421.353 5.137 40 0 HKABRN CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C ZINC000014069830 560838291 /nfs/dbraw/zinc/83/82/91/560838291.db2.gz CITDGYDHASOVTL-UHFFFAOYSA-N 0 0 421.353 5.082 40 0 HKABRN CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)cc1 ZINC000014069832 560838283 /nfs/dbraw/zinc/83/82/83/560838283.db2.gz BUJIFVKCHGDWHZ-UHFFFAOYSA-N 0 0 421.353 5.082 40 0 HKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)cc1C ZINC000014069923 560838295 /nfs/dbraw/zinc/83/82/95/560838295.db2.gz PJQYTQKOPFJART-UHFFFAOYSA-N 0 0 421.353 5.137 40 0 HKABRN CCn1c(SCc2cccc3ccccc32)nnc1-c1ccc(Cl)cc1Cl ZINC000014070023 560838275 /nfs/dbraw/zinc/83/82/75/560838275.db2.gz NLPFIJXGQWAJJD-UHFFFAOYSA-N 0 0 414.361 6.717 40 0 HKABRN CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(Cl)cc1Cl ZINC000014070087 560838298 /nfs/dbraw/zinc/83/82/98/560838298.db2.gz RYANUZRHOXASHK-UHFFFAOYSA-N 0 0 407.326 5.003 40 0 HKABRN CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1Cl ZINC000014070100 560838296 /nfs/dbraw/zinc/83/82/96/560838296.db2.gz CCOIXIDWQXHBRZ-UHFFFAOYSA-N 0 0 421.353 5.311 40 0 HKABRN CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccc(Cl)cc1Cl ZINC000014070103 560838293 /nfs/dbraw/zinc/83/82/93/560838293.db2.gz YCPCDYNSHXUWCW-UHFFFAOYSA-N 0 0 421.353 5.311 40 0 HKABRN CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccc(Cl)cc1Cl ZINC000014070105 560838282 /nfs/dbraw/zinc/83/82/82/560838282.db2.gz MJPQWYWCNZUFAB-UHFFFAOYSA-N 0 0 421.353 5.311 40 0 HKABRN CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 ZINC000014071183 560838297 /nfs/dbraw/zinc/83/82/97/560838297.db2.gz YLWGZZWKFACORX-UHFFFAOYSA-N 0 0 408.752 5.673 40 0 HKABRN CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(Br)cc1 ZINC000014071191 559148819 /nfs/dbraw/zinc/14/88/19/559148819.db2.gz MQCACBSTQZMMSB-UHFFFAOYSA-N 0 0 408.752 5.673 40 0 HKABRN CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(Br)cc1 ZINC000014071202 559148835 /nfs/dbraw/zinc/14/88/35/559148835.db2.gz AXCPNNHYZMYYMB-UHFFFAOYSA-N 0 0 408.752 5.673 40 0 HKABRN CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1C ZINC000014081811 560837683 /nfs/dbraw/zinc/83/76/83/560837683.db2.gz VPZMQDUFMSIFBS-UHFFFAOYSA-N 0 0 421.353 5.311 40 0 HKABRN CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1C ZINC000014081815 560837678 /nfs/dbraw/zinc/83/76/78/560837678.db2.gz ZUQVRMJCQFXWRQ-UHFFFAOYSA-N 0 0 420.460 5.023 40 0 HKABRN CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cccc(C)c1 ZINC000014082075 560837722 /nfs/dbraw/zinc/83/77/22/560837722.db2.gz XEYLGIKSRDYEPP-UHFFFAOYSA-N 0 0 421.353 5.311 40 0 HKABRN CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1cccc(C)c1 ZINC000014082095 560837842 /nfs/dbraw/zinc/83/78/42/560837842.db2.gz TYGIUAGHKFXNBL-UHFFFAOYSA-N 0 0 421.353 5.311 40 0 HKABRN CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc(C)cc1 ZINC000014082292 560837829 /nfs/dbraw/zinc/83/78/29/560837829.db2.gz NSPUPKWEDRQBIL-UHFFFAOYSA-N 0 0 421.353 5.311 40 0 HKABRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(C)cc1 ZINC000014082293 560837803 /nfs/dbraw/zinc/83/78/03/560837803.db2.gz WWHXKLMDCIIACC-UHFFFAOYSA-N 0 0 421.353 5.311 40 0 HKABRN COc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1OC ZINC000014083267 559149355 /nfs/dbraw/zinc/14/93/55/559149355.db2.gz SSOYRYCRSUBNIX-UHFFFAOYSA-N 0 0 410.326 5.098 40 0 HKABRN CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(OC)c(OC)c1 ZINC000014083434 559149375 /nfs/dbraw/zinc/14/93/75/559149375.db2.gz JDBPSMXJZHLLGJ-UHFFFAOYSA-N 0 0 424.353 5.581 40 0 HKABRN Cn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(Br)cc1 ZINC000014088018 559150052 /nfs/dbraw/zinc/15/00/52/559150052.db2.gz OMPDBTKTZFVATI-UHFFFAOYSA-N 0 0 424.751 5.102 40 0 HKABRN CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000014091668 560837916 /nfs/dbraw/zinc/83/79/16/560837916.db2.gz KHSPGTNKKHBMPD-UHFFFAOYSA-N 0 0 408.354 5.497 40 0 HKABRN CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000014121467 560838447 /nfs/dbraw/zinc/83/84/47/560838447.db2.gz HEBHQZQKIXEJRO-UHFFFAOYSA-N 0 0 424.570 5.040 40 0 HKABRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000014130397 560838618 /nfs/dbraw/zinc/83/86/18/560838618.db2.gz OCMBWLPYMQJBMD-DHDCSXOGSA-N 0 0 424.205 6.765 40 0 HKABRN O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1cccc2ccccc21 ZINC000014132000 560838635 /nfs/dbraw/zinc/83/86/35/560838635.db2.gz FOJDNRYLLXHGMB-VXLYETTFSA-N 0 0 414.313 6.383 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)ccc1O ZINC000014132003 560838641 /nfs/dbraw/zinc/83/86/41/560838641.db2.gz KZHUMBQOUXERMZ-FYJGNVAPSA-N 0 0 405.475 5.181 40 0 HKABRN O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1Cc1cccc2ccccc21 ZINC000014132077 560838616 /nfs/dbraw/zinc/83/86/16/560838616.db2.gz QQESSBPYZHWHDK-XDHOZWIPSA-N 0 0 424.319 5.839 40 0 HKABRN CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1OC ZINC000014132212 560838610 /nfs/dbraw/zinc/83/86/10/560838610.db2.gz GNBCPDPFEVWGJW-HYARGMPZSA-N 0 0 419.502 5.484 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)ccc1OC ZINC000014132249 560838633 /nfs/dbraw/zinc/83/86/33/560838633.db2.gz NGAXLYYNZVRQJN-HYARGMPZSA-N 0 0 419.502 5.484 40 0 HKABRN COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)c1 ZINC000014132310 560838614 /nfs/dbraw/zinc/83/86/14/560838614.db2.gz MRLZUZQUDIWINN-FYJGNVAPSA-N 0 0 405.475 5.094 40 0 HKABRN COc1cccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)c1OC ZINC000014132312 560838623 /nfs/dbraw/zinc/83/86/23/560838623.db2.gz AMERJLVJVILOGY-DEDYPNTBSA-N 0 0 405.475 5.094 40 0 HKABRN O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1cccc2ccccc21 ZINC000014132371 560838631 /nfs/dbraw/zinc/83/86/31/560838631.db2.gz UTHSNBKCNZOUGR-XDHOZWIPSA-N 0 0 413.420 6.095 40 0 HKABRN Cc1cccc(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)c1C ZINC000014135895 560838741 /nfs/dbraw/zinc/83/87/41/560838741.db2.gz ZWHBYPAVHHDTEF-UHFFFAOYSA-N 0 0 412.489 5.159 40 0 HKABRN Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)c1 ZINC000014135897 560838786 /nfs/dbraw/zinc/83/87/86/560838786.db2.gz KUODCDFWBKOBHY-UHFFFAOYSA-N 0 0 412.489 5.159 40 0 HKABRN Cc1cc(C)cc(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)c1 ZINC000014135898 560838781 /nfs/dbraw/zinc/83/87/81/560838781.db2.gz KEGVLYNKXPLQLO-UHFFFAOYSA-N 0 0 412.489 5.159 40 0 HKABRN O=C(COc1ccccc1)c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC000014135920 560838800 /nfs/dbraw/zinc/83/88/00/560838800.db2.gz XQBYOOZSVFNXSB-UHFFFAOYSA-N 0 0 405.881 5.635 40 0 HKABRN O=C(COc1ccccc1)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000014135929 560838854 /nfs/dbraw/zinc/83/88/54/560838854.db2.gz YLRMBVDOWYADSY-UHFFFAOYSA-N 0 0 410.300 6.258 40 0 HKABRN Cc1ccc(C)c(OCCCn2cc(C(=O)COc3ccccc3)c3ccccc32)c1 ZINC000014135938 560838817 /nfs/dbraw/zinc/83/88/17/560838817.db2.gz ZTWLQUDKJBDVRX-UHFFFAOYSA-N 0 0 413.517 5.989 40 0 HKABRN O=C(Cn1cc(C(=O)COc2ccccc2)c2ccccc21)Nc1ccccc1Cl ZINC000014135944 560838837 /nfs/dbraw/zinc/83/88/37/560838837.db2.gz HSYIVBJYYIRLQP-UHFFFAOYSA-N 0 0 418.880 5.195 40 0 HKABRN O=C(COc1ccccc1)c1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000014135962 560838805 /nfs/dbraw/zinc/83/88/05/560838805.db2.gz IVZXWAKWGHXNPQ-UHFFFAOYSA-N 0 0 420.306 5.714 40 0 HKABRN CCN(CC)C(=O)C(=O)c1cn(CCOc2ccc(C(C)(C)C)cc2)c2ccccc12 ZINC000014136058 560838822 /nfs/dbraw/zinc/83/88/22/560838822.db2.gz WMMYUUGOMQOBLJ-UHFFFAOYSA-N 0 0 420.553 5.069 40 0 HKABRN CCN(CC)C(=O)C(=O)c1cn(CCOc2cc(C)ccc2C(C)C)c2ccccc12 ZINC000014136060 560838831 /nfs/dbraw/zinc/83/88/31/560838831.db2.gz RGMIZLIPPSNKRJ-UHFFFAOYSA-N 0 0 420.553 5.203 40 0 HKABRN CCN(CC)C(=O)C(=O)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000014136075 560838846 /nfs/dbraw/zinc/83/88/46/560838846.db2.gz NCXIHWXFLLAAOB-UHFFFAOYSA-N 0 0 403.309 5.048 40 0 HKABRN CC(=O)Nc1ccccc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000014152458 560838943 /nfs/dbraw/zinc/83/89/43/560838943.db2.gz ITMGKBWISZHRFA-UHFFFAOYSA-N 0 0 402.825 5.048 40 0 HKABRN Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000014152918 560839038 /nfs/dbraw/zinc/83/90/38/560839038.db2.gz XNXFNSGRKJSWBH-UHFFFAOYSA-N 0 0 417.456 5.510 40 0 HKABRN Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000014152930 560839053 /nfs/dbraw/zinc/83/90/53/560839053.db2.gz UVDIUOSQOXQRKT-UHFFFAOYSA-N 0 0 417.456 5.510 40 0 HKABRN Cc1ccc(-c2cc(C)nc(SCC(=O)c3ccc(Br)cc3)n2)cc1 ZINC000014152944 560839055 /nfs/dbraw/zinc/83/90/55/560839055.db2.gz NJGIWWYIQLNMFJ-UHFFFAOYSA-N 0 0 413.340 5.498 40 0 HKABRN O=C(CNC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)Nc1ccccc1 ZINC000014153140 560839148 /nfs/dbraw/zinc/83/91/48/560839148.db2.gz NPKFMBUTANACHX-UHFFFAOYSA-N 0 0 413.713 5.230 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000014153319 560839149 /nfs/dbraw/zinc/83/91/49/560839149.db2.gz SYMALONHXZUTMG-DEOSSOPVSA-N 0 0 420.534 5.177 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000014153321 560839181 /nfs/dbraw/zinc/83/91/81/560839181.db2.gz SYMALONHXZUTMG-XMMPIXPASA-N 0 0 420.534 5.177 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000014153993 560839951 /nfs/dbraw/zinc/83/99/51/560839951.db2.gz QDXDYQAPQBRMEY-UHFFFAOYSA-N 0 0 402.346 6.846 40 0 HKABRN O=C(CSCc1c(F)cccc1Cl)NCCSCc1ccc(Cl)cc1 ZINC000014154250 560839960 /nfs/dbraw/zinc/83/99/60/560839960.db2.gz CVXNOATYYSXTSU-UHFFFAOYSA-N 0 0 418.386 5.415 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000014154734 560840086 /nfs/dbraw/zinc/84/00/86/560840086.db2.gz HQAATFBGXKHSJY-UHFFFAOYSA-N 0 0 415.902 5.093 40 0 HKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2C)c1 ZINC000014154835 560840090 /nfs/dbraw/zinc/84/00/90/560840090.db2.gz ZBJFWYBXNIZXSP-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000014155201 560840019 /nfs/dbraw/zinc/84/00/19/560840019.db2.gz BPUYTZDWDHZLLO-UHFFFAOYSA-N 0 0 401.453 6.558 40 0 HKABRN CSc1ccc(S(=O)(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1 ZINC000014155314 560840094 /nfs/dbraw/zinc/84/00/94/560840094.db2.gz GJBVJWXBXQCCJA-UHFFFAOYSA-N 0 0 413.608 5.749 40 0 HKABRN O=C(CSCc1c(F)cccc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000014155351 560840151 /nfs/dbraw/zinc/84/01/51/560840151.db2.gz ZXDATNKQFHWXTE-UHFFFAOYSA-N 0 0 412.235 6.023 40 0 HKABRN Cc1ccc(CSCCNC(=O)CSCc2ccc(Br)cc2)cc1 ZINC000014155662 560840149 /nfs/dbraw/zinc/84/01/49/560840149.db2.gz KTMIZHFAKANBLA-UHFFFAOYSA-N 0 0 424.429 5.040 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000014155677 560840159 /nfs/dbraw/zinc/84/01/59/560840159.db2.gz DFYNIWCYCIRZNH-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN O=C(CSCc1c(F)cccc1Cl)Nc1ccc(OCc2ccccc2)cc1 ZINC000014155879 560840299 /nfs/dbraw/zinc/84/02/99/560840299.db2.gz YNBRGVPWGNVHBT-UHFFFAOYSA-N 0 0 415.917 5.930 40 0 HKABRN C[C@@H]1CC2(CCCCC2)N2C(=O)[C@@]3(NCCc4c5ccccc5[nH]c43)c3cccc1c32 ZINC000014162417 560839341 /nfs/dbraw/zinc/83/93/41/560839341.db2.gz QGTXVWQWWVHIBP-XGCWNURASA-N 0 0 411.549 5.114 40 0 HKABRN C[C@H]1CC2(CCCCC2)N2C(=O)[C@@]3(NCCc4c5ccccc5[nH]c43)c3cccc1c32 ZINC000014162420 560839358 /nfs/dbraw/zinc/83/93/58/560839358.db2.gz QGTXVWQWWVHIBP-CBZJRKILSA-N 0 0 411.549 5.114 40 0 HKABRN C[C@@H]1CC2(CCCCC2)N2C(=O)[C@]3(NCCc4c5ccccc5[nH]c43)c3cccc1c32 ZINC000014162423 560839365 /nfs/dbraw/zinc/83/93/65/560839365.db2.gz QGTXVWQWWVHIBP-CRYYWNKWSA-N 0 0 411.549 5.114 40 0 HKABRN C[C@H]1CC2(CCCCC2)N2C(=O)[C@]3(NCCc4c5ccccc5[nH]c43)c3cccc1c32 ZINC000014162426 560839361 /nfs/dbraw/zinc/83/93/61/560839361.db2.gz QGTXVWQWWVHIBP-SOKVYYICSA-N 0 0 411.549 5.114 40 0 HKABRN Cc1cc2c3c(c1)C(C)(C)CC1(CCCCCC1)N3C(=O)[C@@]21Nc2ccccc2S1 ZINC000014162515 560839350 /nfs/dbraw/zinc/83/93/50/560839350.db2.gz PVEIGFAZAAFJIT-AREMUKBSSA-N 0 0 418.606 6.487 40 0 HKABRN Cc1cc2c3c(c1)C(C)(C)CC1(CCCCCC1)N3C(=O)[C@]21Nc2ccccc2S1 ZINC000014162518 560839367 /nfs/dbraw/zinc/83/93/67/560839367.db2.gz PVEIGFAZAAFJIT-SANMLTNESA-N 0 0 418.606 6.487 40 0 HKABRN CCCC1=Nc2nc(C)nn2[C@H](c2cccc(Oc3ccccc3)c2)C1C(=O)OCC ZINC000014163392 560839404 /nfs/dbraw/zinc/83/94/04/560839404.db2.gz GFHATFOKJLJGSO-JOCHJYFZSA-N 0 0 418.497 5.011 40 0 HKABRN CCCC1=Nc2nc(C)nn2[C@@H](c2cccc(Oc3ccccc3)c2)C1C(=O)OCC ZINC000014163396 560839406 /nfs/dbraw/zinc/83/94/06/560839406.db2.gz GFHATFOKJLJGSO-QFIPXVFZSA-N 0 0 418.497 5.011 40 0 HKABRN Cc1nn2c(ncc3c2C[C@@H](c2cc(F)cc(F)c2)CC3=O)c1-c1ccc(F)cc1 ZINC000014163821 560839552 /nfs/dbraw/zinc/83/95/52/560839552.db2.gz FMSRMISVIRZSPH-OAHLLOKOSA-N 0 0 407.395 5.035 40 0 HKABRN Cc1nn2c(ncc3c2C[C@H](c2cc(F)cc(F)c2)CC3=O)c1-c1ccc(F)cc1 ZINC000014163825 560839539 /nfs/dbraw/zinc/83/95/39/560839539.db2.gz FMSRMISVIRZSPH-HNNXBMFYSA-N 0 0 407.395 5.035 40 0 HKABRN Cc1nn2c(ncc3c2C[C@@H](c2cc(F)cc(F)c2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000014163829 560839541 /nfs/dbraw/zinc/83/95/41/560839541.db2.gz IVKDVOWVUSPXGB-OAHLLOKOSA-N 0 0 423.850 5.549 40 0 HKABRN Cc1nn2c(ncc3c2C[C@H](c2cc(F)cc(F)c2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000014163833 560839606 /nfs/dbraw/zinc/83/96/06/560839606.db2.gz IVKDVOWVUSPXGB-HNNXBMFYSA-N 0 0 423.850 5.549 40 0 HKABRN Cc1nn2c(nnc3c2C[C@@H](c2cccc(Cl)c2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000014164755 560839766 /nfs/dbraw/zinc/83/97/66/560839766.db2.gz ZKRHUSYYUWJKQX-OAHLLOKOSA-N 0 0 423.303 5.319 40 0 HKABRN Cc1nn2c(nnc3c2C[C@H](c2cccc(Cl)c2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000014164759 560839776 /nfs/dbraw/zinc/83/97/76/560839776.db2.gz ZKRHUSYYUWJKQX-HNNXBMFYSA-N 0 0 423.303 5.319 40 0 HKABRN O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(OCc2ccccc2)cc1 ZINC000014181803 558628471 /nfs/dbraw/zinc/62/84/71/558628471.db2.gz WTTMOTJXQQYKNO-UHFFFAOYSA-N 0 0 416.452 5.631 40 0 HKABRN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(Br)cc1 ZINC000014206121 558637667 /nfs/dbraw/zinc/63/76/67/558637667.db2.gz JZXCENJPASKHPK-UHFFFAOYSA-N 0 0 405.679 5.329 40 0 HKABRN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cccc(Br)c1 ZINC000014206172 558637755 /nfs/dbraw/zinc/63/77/55/558637755.db2.gz AUNOLDRJTUHYEL-UHFFFAOYSA-N 0 0 405.679 5.329 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000014291403 560841113 /nfs/dbraw/zinc/84/11/13/560841113.db2.gz ORXZNCGRRYTDCO-UHFFFAOYSA-N 0 0 414.255 5.138 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000014291404 560841117 /nfs/dbraw/zinc/84/11/17/560841117.db2.gz FGLRTESPVQSSNX-UHFFFAOYSA-N 0 0 404.249 5.682 40 0 HKABRN CCCn1c(-c2ccc3c(c2)OCCO3)cs/c1=N\c1ccc(Cl)c(Cl)c1 ZINC000014356916 569044161 /nfs/dbraw/zinc/04/41/61/569044161.db2.gz JONSRCISGAFSFL-ATJXCDBQSA-N 0 0 421.349 5.937 40 0 HKABRN COc1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(OC)cc1Cl ZINC000014381586 558653777 /nfs/dbraw/zinc/65/37/77/558653777.db2.gz LBUZCAUJYISSHP-UHFFFAOYSA-N 0 0 421.280 5.237 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(C)c1Cl ZINC000014396763 560841413 /nfs/dbraw/zinc/84/14/13/560841413.db2.gz ZZQJQKZPRRVFGY-LLVKDONJSA-N 0 0 406.231 6.035 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(C)c1Cl ZINC000014396765 560841409 /nfs/dbraw/zinc/84/14/09/560841409.db2.gz ZZQJQKZPRRVFGY-NSHDSACASA-N 0 0 406.231 6.035 40 0 HKABRN COc1ccc(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000014396945 560841540 /nfs/dbraw/zinc/84/15/40/560841540.db2.gz DIPVDTYEKFDPAY-SFHVURJKSA-N 0 0 407.535 5.702 40 0 HKABRN COc1ccc(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000014396946 560841491 /nfs/dbraw/zinc/84/14/91/560841491.db2.gz DIPVDTYEKFDPAY-GOSISDBHSA-N 0 0 407.535 5.702 40 0 HKABRN O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(N2CCCCC2)cc1 ZINC000014397256 560841493 /nfs/dbraw/zinc/84/14/93/560841493.db2.gz PFQORJDMPRUJER-UHFFFAOYSA-N 0 0 423.409 5.647 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000014397290 560841575 /nfs/dbraw/zinc/84/15/75/560841575.db2.gz YMSTZIPATIKWQE-UHFFFAOYSA-N 0 0 408.885 5.221 40 0 HKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000014397694 560841605 /nfs/dbraw/zinc/84/16/05/560841605.db2.gz URYUYBPNYIIMRZ-QGZVFWFLSA-N 0 0 423.940 6.836 40 0 HKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000014397697 560841560 /nfs/dbraw/zinc/84/15/60/560841560.db2.gz URYUYBPNYIIMRZ-KRWDZBQOSA-N 0 0 423.940 6.836 40 0 HKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccccc1Cl ZINC000014397740 560841565 /nfs/dbraw/zinc/84/15/65/560841565.db2.gz NXWMOHOHOSQZHA-MRXNPFEDSA-N 0 0 405.991 5.454 40 0 HKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccccc1Cl ZINC000014397742 560841721 /nfs/dbraw/zinc/84/17/21/560841721.db2.gz NXWMOHOHOSQZHA-INIZCTEOSA-N 0 0 405.991 5.454 40 0 HKABRN Cc1ccc(OCCCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000014398116 560841681 /nfs/dbraw/zinc/84/16/81/560841681.db2.gz GDXZZIHPBQFQCW-UHFFFAOYSA-N 0 0 412.382 5.510 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc(C)c1Cl ZINC000014398328 560841756 /nfs/dbraw/zinc/84/17/56/560841756.db2.gz AFOQVEZCUWDWCG-LLVKDONJSA-N 0 0 406.231 6.035 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc(C)c1Cl ZINC000014398330 560841752 /nfs/dbraw/zinc/84/17/52/560841752.db2.gz AFOQVEZCUWDWCG-NSHDSACASA-N 0 0 406.231 6.035 40 0 HKABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000014398687 560841890 /nfs/dbraw/zinc/84/18/90/560841890.db2.gz WBIZDGYQXKPCDQ-XMMPIXPASA-N 0 0 421.562 6.092 40 0 HKABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000014398689 560841918 /nfs/dbraw/zinc/84/19/18/560841918.db2.gz WBIZDGYQXKPCDQ-DEOSSOPVSA-N 0 0 421.562 6.092 40 0 HKABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000014398967 560841894 /nfs/dbraw/zinc/84/18/94/560841894.db2.gz SZIFDOOYFMUMDX-GFCCVEGCSA-N 0 0 418.773 5.464 40 0 HKABRN C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000014398968 560841966 /nfs/dbraw/zinc/84/19/66/560841966.db2.gz SZIFDOOYFMUMDX-LBPRGKRZSA-N 0 0 418.773 5.464 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)CCCOc3ccc(Cl)cc3)ccc21 ZINC000014399448 560842124 /nfs/dbraw/zinc/84/21/24/560842124.db2.gz ZZRRXTLOEPKYRA-UHFFFAOYSA-N 0 0 406.913 6.266 40 0 HKABRN O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(Br)c(Cl)c1 ZINC000014399570 560842140 /nfs/dbraw/zinc/84/21/40/560842140.db2.gz YNKFODIQBIYKCK-UHFFFAOYSA-N 0 0 403.103 5.554 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc(C)c1Cl ZINC000014399803 560842271 /nfs/dbraw/zinc/84/22/71/560842271.db2.gz VJLCRWDXNRWVBN-SNVBAGLBSA-N 0 0 407.124 6.323 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc(C)c1Cl ZINC000014399805 560842241 /nfs/dbraw/zinc/84/22/41/560842241.db2.gz VJLCRWDXNRWVBN-JTQLQIEISA-N 0 0 407.124 6.323 40 0 HKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000014399910 560842290 /nfs/dbraw/zinc/84/22/90/560842290.db2.gz DPCIXCHPYTYARH-OAHLLOKOSA-N 0 0 423.981 5.594 40 0 HKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000014399912 560842253 /nfs/dbraw/zinc/84/22/53/560842253.db2.gz DPCIXCHPYTYARH-HNNXBMFYSA-N 0 0 423.981 5.594 40 0 HKABRN Cc1ccc(OCCCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000014399944 560842228 /nfs/dbraw/zinc/84/22/28/560842228.db2.gz CLKNSPLQIASLET-UHFFFAOYSA-N 0 0 412.382 5.510 40 0 HKABRN O=C(CCCOc1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000014399968 560842251 /nfs/dbraw/zinc/84/22/51/560842251.db2.gz DWIFGNGBOHGAOA-UHFFFAOYSA-N 0 0 414.933 5.200 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cc(C)c1Cl ZINC000014400143 557641586 /nfs/dbraw/zinc/64/15/86/557641586.db2.gz JPUFVWBYSOXCCT-QGZVFWFLSA-N 0 0 411.954 6.514 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cc(C)c1Cl ZINC000014400145 560846051 /nfs/dbraw/zinc/84/60/51/560846051.db2.gz JPUFVWBYSOXCCT-KRWDZBQOSA-N 0 0 411.954 6.514 40 0 HKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1cccc(Cl)c1 ZINC000014400879 560846092 /nfs/dbraw/zinc/84/60/92/560846092.db2.gz STVPEJBRQJJNOF-MRXNPFEDSA-N 0 0 405.991 5.454 40 0 HKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1cccc(Cl)c1 ZINC000014400881 560846106 /nfs/dbraw/zinc/84/61/06/560846106.db2.gz STVPEJBRQJJNOF-INIZCTEOSA-N 0 0 405.991 5.454 40 0 HKABRN O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(CSc2ccccc2)cc1 ZINC000014400966 560846107 /nfs/dbraw/zinc/84/61/07/560846107.db2.gz JNRYERHBPPIHES-UHFFFAOYSA-N 0 0 411.954 6.430 40 0 HKABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000014401022 560846111 /nfs/dbraw/zinc/84/61/11/560846111.db2.gz VSOIIUAKDFJKBF-CQSZACIVSA-N 0 0 414.288 5.630 40 0 HKABRN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000014401025 560846109 /nfs/dbraw/zinc/84/61/09/560846109.db2.gz VSOIIUAKDFJKBF-AWEZNQCLSA-N 0 0 414.288 5.630 40 0 HKABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000014401043 560846090 /nfs/dbraw/zinc/84/60/90/560846090.db2.gz KBOKDSGQOOADLG-HSZRJFAPSA-N 0 0 407.535 5.784 40 0 HKABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000014401046 560846082 /nfs/dbraw/zinc/84/60/82/560846082.db2.gz KBOKDSGQOOADLG-QHCPKHFHSA-N 0 0 407.535 5.784 40 0 HKABRN O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(N2CCCCC2)cc1 ZINC000014401723 560845245 /nfs/dbraw/zinc/84/52/45/560845245.db2.gz BJHHQJWIVDPFLW-UHFFFAOYSA-N 0 0 423.409 5.647 40 0 HKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000014404807 560845405 /nfs/dbraw/zinc/84/54/05/560845405.db2.gz HDUWJDTWOWYVFH-UHFFFAOYSA-N 0 0 424.504 5.302 40 0 HKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000014404824 560845417 /nfs/dbraw/zinc/84/54/17/560845417.db2.gz WSVAVORBGVJLKR-UHFFFAOYSA-N 0 0 424.504 5.302 40 0 HKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)c2cccc(C)c2)c1 ZINC000014404942 560845410 /nfs/dbraw/zinc/84/54/10/560845410.db2.gz VJLNHGJCRNBPDG-UHFFFAOYSA-N 0 0 424.504 5.302 40 0 HKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000014404959 560845414 /nfs/dbraw/zinc/84/54/14/560845414.db2.gz ZTDQEXYXGNVPJA-UHFFFAOYSA-N 0 0 424.504 5.302 40 0 HKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)c1cccc(C)c1 ZINC000014405090 560845399 /nfs/dbraw/zinc/84/53/99/560845399.db2.gz LJWRJNSEQRUTQA-UHFFFAOYSA-N 0 0 424.504 5.302 40 0 HKABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1 ZINC000014405107 560845401 /nfs/dbraw/zinc/84/54/01/560845401.db2.gz BEGKYWGDRHPHID-UHFFFAOYSA-N 0 0 424.504 5.302 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1C ZINC000014405234 560845396 /nfs/dbraw/zinc/84/53/96/560845396.db2.gz XYIVKCGEDCSSTE-UHFFFAOYSA-N 0 0 404.514 5.113 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1C ZINC000014405249 560845464 /nfs/dbraw/zinc/84/54/64/560845464.db2.gz FSBZLFFWRRVYRB-UHFFFAOYSA-N 0 0 424.932 5.458 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1C ZINC000014405252 560845436 /nfs/dbraw/zinc/84/54/36/560845436.db2.gz FZBMVIJNMYMNAW-UHFFFAOYSA-N 0 0 404.514 5.113 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1C ZINC000014405258 560845474 /nfs/dbraw/zinc/84/54/74/560845474.db2.gz WRJBQHFQETWIKM-UHFFFAOYSA-N 0 0 424.932 5.458 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)c1C ZINC000014405273 560845485 /nfs/dbraw/zinc/84/54/85/560845485.db2.gz KGJCVMLEPIXQPO-LFIBNONCSA-N 0 0 416.525 5.204 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)c1C ZINC000014405285 560845468 /nfs/dbraw/zinc/84/54/68/560845468.db2.gz RTJYJIKQKZEREG-OUKQBFOZSA-N 0 0 422.554 5.266 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3ccc(C)s3)cc2)c1C ZINC000014405355 560845491 /nfs/dbraw/zinc/84/54/91/560845491.db2.gz JPHFFVGWRPOAQW-UHFFFAOYSA-N 0 0 410.543 5.175 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)c1C ZINC000014405379 560845449 /nfs/dbraw/zinc/84/54/49/560845449.db2.gz LVEWJZVGEPAYEW-UHFFFAOYSA-N 0 0 404.514 5.113 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1C ZINC000014405393 560845450 /nfs/dbraw/zinc/84/54/50/560845450.db2.gz OUYSHKNABMJWAW-UHFFFAOYSA-N 0 0 424.932 5.458 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)c1C ZINC000014405396 560845490 /nfs/dbraw/zinc/84/54/90/560845490.db2.gz YKMRSZYXSIMQFA-UHFFFAOYSA-N 0 0 404.514 5.113 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1C ZINC000014405402 560845462 /nfs/dbraw/zinc/84/54/62/560845462.db2.gz YBCSYMWOTIBGQC-UHFFFAOYSA-N 0 0 424.932 5.458 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)/C=C/c3ccccc3)c2)c1C ZINC000014405417 560845488 /nfs/dbraw/zinc/84/54/88/560845488.db2.gz CFAMUJNASFAELM-CCEZHUSRSA-N 0 0 416.525 5.204 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)/C=C/c3cccs3)c2)c1C ZINC000014405429 560845476 /nfs/dbraw/zinc/84/54/76/560845476.db2.gz OCTNXHSATSCALK-VAWYXSNFSA-N 0 0 422.554 5.266 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3ccc(C)s3)c2)c1C ZINC000014405503 560845473 /nfs/dbraw/zinc/84/54/73/560845473.db2.gz IURSDUDPDOCVNW-UHFFFAOYSA-N 0 0 410.543 5.175 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)c1C ZINC000014405527 560845438 /nfs/dbraw/zinc/84/54/38/560845438.db2.gz RGRBKBXKQZUFLQ-UHFFFAOYSA-N 0 0 404.514 5.113 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2cccc(Cl)c2)c1C ZINC000014405542 560845483 /nfs/dbraw/zinc/84/54/83/560845483.db2.gz OEOILXUFWUEROM-UHFFFAOYSA-N 0 0 424.932 5.458 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)c1C ZINC000014405545 560845455 /nfs/dbraw/zinc/84/54/55/560845455.db2.gz IJOBAAFFKVVHHK-UHFFFAOYSA-N 0 0 404.514 5.113 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)c1C ZINC000014405551 560845465 /nfs/dbraw/zinc/84/54/65/560845465.db2.gz LFURCJZNIAGJRJ-UHFFFAOYSA-N 0 0 424.932 5.458 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)c1C ZINC000014405565 560845452 /nfs/dbraw/zinc/84/54/52/560845452.db2.gz BZNWTBYSCMDAKR-FOCLMDBBSA-N 0 0 416.525 5.204 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)/C=C/c2cccs2)c1C ZINC000014405577 560845599 /nfs/dbraw/zinc/84/55/99/560845599.db2.gz FZPHKVCQORRSPV-OUKQBFOZSA-N 0 0 422.554 5.266 40 0 HKABRN CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2ccc(C)s2)c1C ZINC000014405650 560845593 /nfs/dbraw/zinc/84/55/93/560845593.db2.gz ANHVCTFRUMUEFT-UHFFFAOYSA-N 0 0 410.543 5.175 40 0 HKABRN COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)c(C)s2)c(OC)c1 ZINC000014406305 558654332 /nfs/dbraw/zinc/65/43/32/558654332.db2.gz LRSNKVKWIQKAHJ-UHFFFAOYSA-N 0 0 423.321 5.695 40 0 HKABRN CCCc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc(F)cc1 ZINC000014406388 558654224 /nfs/dbraw/zinc/65/42/24/558654224.db2.gz DWPGUYUAWFAXNO-UHFFFAOYSA-N 0 0 419.319 5.917 40 0 HKABRN O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)Nc1ccccc1C(F)(F)F ZINC000014407369 560845619 /nfs/dbraw/zinc/84/56/19/560845619.db2.gz YEGVGSVCZQRTME-UHFFFAOYSA-N 0 0 422.406 5.530 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000014411001 560845677 /nfs/dbraw/zinc/84/56/77/560845677.db2.gz JWYNLKPDEFMKAK-UHFFFAOYSA-N 0 0 422.764 7.191 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=O)CSCc2c(Cl)cccc2Cl)c1 ZINC000014411078 560845668 /nfs/dbraw/zinc/84/56/68/560845668.db2.gz KPCNVEHANHLYPV-UHFFFAOYSA-N 0 0 418.729 5.305 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(Br)c(Cl)c1 ZINC000014411361 560845793 /nfs/dbraw/zinc/84/57/93/560845793.db2.gz PYDJATBULPHTLD-QHHAFSJGSA-N 0 0 405.506 6.061 40 0 HKABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000014412638 560845770 /nfs/dbraw/zinc/84/57/70/560845770.db2.gz ZCSRXFSOFFNERC-CQSZACIVSA-N 0 0 418.345 6.905 40 0 HKABRN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000014412642 560845805 /nfs/dbraw/zinc/84/58/05/560845805.db2.gz ZCSRXFSOFFNERC-AWEZNQCLSA-N 0 0 418.345 6.905 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(Br)cc1 ZINC000014412782 560845807 /nfs/dbraw/zinc/84/58/07/560845807.db2.gz PLRXAJBLGJRDLG-UHFFFAOYSA-N 0 0 402.675 6.147 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000014413029 560845868 /nfs/dbraw/zinc/84/58/68/560845868.db2.gz CDXIKHOOPWRLMU-SFQUDFHCSA-N 0 0 402.708 6.826 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)/C(=C/c1ccco1)c1ccccc1 ZINC000014413058 560845848 /nfs/dbraw/zinc/84/58/48/560845848.db2.gz ZYYQSWMKLBHOJT-OQKWZONESA-N 0 0 415.876 6.905 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000014413066 560845856 /nfs/dbraw/zinc/84/58/56/560845856.db2.gz YPYJAUMEAVHEFZ-YRNVUSSQSA-N 0 0 418.707 7.091 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000014413245 560845893 /nfs/dbraw/zinc/84/58/93/560845893.db2.gz YJZXOLPNPUMGKZ-SFQUDFHCSA-N 0 0 402.708 6.826 40 0 HKABRN O=C(Nc1ccc(C(F)(F)F)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000014413614 560845867 /nfs/dbraw/zinc/84/58/67/560845867.db2.gz BGNLMJNSWLBIKW-XMHGGMMESA-N 0 0 401.815 6.538 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000014426094 560846504 /nfs/dbraw/zinc/84/65/04/560846504.db2.gz BYSCFALCGHIYFA-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1C[C@@H]1CCCO1 ZINC000014426123 569344895 /nfs/dbraw/zinc/34/48/95/569344895.db2.gz FSCBUYSNRUARMQ-WBNHJWIASA-N 0 0 418.324 5.136 40 0 HKABRN Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1C[C@H]1CCCO1 ZINC000014426124 569344873 /nfs/dbraw/zinc/34/48/73/569344873.db2.gz FSCBUYSNRUARMQ-QJKHOBJASA-N 0 0 418.324 5.136 40 0 HKABRN CCOc1c(Br)cc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OC ZINC000014426979 560846497 /nfs/dbraw/zinc/84/64/97/560846497.db2.gz RZZQBUPGVRYQPL-UHFFFAOYSA-N 0 0 419.102 5.416 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000014426981 560846513 /nfs/dbraw/zinc/84/65/13/560846513.db2.gz ZYZUHMIDEIOTDG-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN CCOc1cc(C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OC ZINC000014427036 569344879 /nfs/dbraw/zinc/34/48/79/569344879.db2.gz MOOUQYARDRVRKA-UHFFFAOYSA-N 0 0 419.102 5.416 40 0 HKABRN CCOc1cc(C(=O)Nc2cccc3ccccc32)cc(Br)c1OC ZINC000014428889 569344889 /nfs/dbraw/zinc/34/48/89/569344889.db2.gz CBFFGFYTKTUPDY-UHFFFAOYSA-N 0 0 400.272 5.262 40 0 HKABRN CCOc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OC ZINC000014429877 569344898 /nfs/dbraw/zinc/34/48/98/569344898.db2.gz BCAAUZUIFAAWFP-UHFFFAOYSA-N 0 0 418.209 5.128 40 0 HKABRN CCOc1c(Br)cc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OC ZINC000014495453 569344909 /nfs/dbraw/zinc/34/49/09/569344909.db2.gz YGLFMMCBTXCHQQ-UHFFFAOYSA-N 0 0 419.102 5.416 40 0 HKABRN O=C(Nc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000014495459 560846251 /nfs/dbraw/zinc/84/62/51/560846251.db2.gz QCDSDGJFRYEXIN-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN CCOc1ccc(-c2nc(NC(=O)c3ccccc3Br)sc2C)cc1 ZINC000014501998 560846274 /nfs/dbraw/zinc/84/62/74/560846274.db2.gz GNKQCFJUXQJAPY-UHFFFAOYSA-N 0 0 417.328 5.532 40 0 HKABRN O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccccc1Br ZINC000014506048 560846221 /nfs/dbraw/zinc/84/62/21/560846221.db2.gz JTLKIXFMGXHINT-UHFFFAOYSA-N 0 0 415.268 5.678 40 0 HKABRN CCCOc1ccc(Br)cc1C(=O)Nc1cccc(Br)c1 ZINC000014553053 560846276 /nfs/dbraw/zinc/84/62/76/560846276.db2.gz RNLHJKGQKJSAOS-UHFFFAOYSA-N 0 0 413.109 5.253 40 0 HKABRN O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)c1cccc(F)c1 ZINC000014582297 558661846 /nfs/dbraw/zinc/66/18/46/558661846.db2.gz VGCBTVIFKGDBKO-UHFFFAOYSA-N 0 0 414.314 5.529 40 0 HKABRN O=C(COc1cccc2ccccc21)Nc1nnc(SCc2ccccc2)s1 ZINC000014582443 558661783 /nfs/dbraw/zinc/66/17/83/558661783.db2.gz GHHWJJGWGTZGMI-UHFFFAOYSA-N 0 0 407.520 5.001 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000014582690 558661800 /nfs/dbraw/zinc/66/18/00/558661800.db2.gz RZWPMGQGWBBGFS-UHFFFAOYSA-N 0 0 419.959 5.280 40 0 HKABRN CCc1nn2c(c1-c1ccc(F)cc1)N=C(C)C[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000014607126 560846872 /nfs/dbraw/zinc/84/68/72/560846872.db2.gz AGCAODFBYBBKFN-LJQANCHMSA-N 0 0 423.488 5.363 40 0 HKABRN CCc1nn2c(c1-c1ccc(F)cc1)N=C(C)C[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000014607127 560846786 /nfs/dbraw/zinc/84/67/86/560846786.db2.gz AGCAODFBYBBKFN-IBGZPJMESA-N 0 0 423.488 5.363 40 0 HKABRN COc1ccc(-c2c(C)nn3c2N=C(c2ccc(C)cc2)C[C@@H]3c2ccccn2)cc1 ZINC000014607598 560846982 /nfs/dbraw/zinc/84/69/82/560846982.db2.gz DGBZOVQXAJYXIF-XMMPIXPASA-N 0 0 408.505 5.684 40 0 HKABRN COc1ccc(-c2c(C)nn3c2N=C(c2ccc(C)cc2)C[C@H]3c2ccccn2)cc1 ZINC000014607599 560847013 /nfs/dbraw/zinc/84/70/13/560847013.db2.gz DGBZOVQXAJYXIF-DEOSSOPVSA-N 0 0 408.505 5.684 40 0 HKABRN CCc1nn2c(c1-c1ccc(OC)cc1)N=C(c1ccccc1)C[C@@H]2c1ccccn1 ZINC000014607600 560847064 /nfs/dbraw/zinc/84/70/64/560847064.db2.gz SHADWBMMCZPMAP-XMMPIXPASA-N 0 0 408.505 5.630 40 0 HKABRN CCc1nn2c(c1-c1ccc(OC)cc1)N=C(c1ccccc1)C[C@H]2c1ccccn1 ZINC000014607601 560847065 /nfs/dbraw/zinc/84/70/65/560847065.db2.gz SHADWBMMCZPMAP-DEOSSOPVSA-N 0 0 408.505 5.630 40 0 HKABRN COc1ccc(-c2c(C)nn3c2N=C(c2ccc(OC)cc2)C[C@@H]3c2cccnc2)cc1 ZINC000014607606 560847101 /nfs/dbraw/zinc/84/71/01/560847101.db2.gz OPZSVBSQEXBNMB-XMMPIXPASA-N 0 0 424.504 5.385 40 0 HKABRN COc1ccc(-c2c(C)nn3c2N=C(c2ccc(OC)cc2)C[C@H]3c2cccnc2)cc1 ZINC000014607607 560847097 /nfs/dbraw/zinc/84/70/97/560847097.db2.gz OPZSVBSQEXBNMB-DEOSSOPVSA-N 0 0 424.504 5.385 40 0 HKABRN CCc1nn2c(c1-c1ccccc1)N=C(c1ccc(OC)cc1)C[C@@H]2c1cccnc1 ZINC000014607608 560847119 /nfs/dbraw/zinc/84/71/19/560847119.db2.gz ZFVKVCWIYASODC-XMMPIXPASA-N 0 0 408.505 5.630 40 0 HKABRN CCc1nn2c(c1-c1ccccc1)N=C(c1ccc(OC)cc1)C[C@H]2c1cccnc1 ZINC000014607609 560847120 /nfs/dbraw/zinc/84/71/20/560847120.db2.gz ZFVKVCWIYASODC-DEOSSOPVSA-N 0 0 408.505 5.630 40 0 HKABRN COc1ccc(-c2c(C)nn3c2N=C(c2cccc(OC)c2)C[C@@H]3c2ccccn2)cc1 ZINC000014607610 560847122 /nfs/dbraw/zinc/84/71/22/560847122.db2.gz ZXLNEVHBWNWYKU-XMMPIXPASA-N 0 0 424.504 5.385 40 0 HKABRN COc1ccc(-c2c(C)nn3c2N=C(c2cccc(OC)c2)C[C@H]3c2ccccn2)cc1 ZINC000014607611 560847088 /nfs/dbraw/zinc/84/70/88/560847088.db2.gz ZXLNEVHBWNWYKU-DEOSSOPVSA-N 0 0 424.504 5.385 40 0 HKABRN CCc1nn2c(c1-c1ccccc1)N=C(c1cccc(OC)c1)C[C@@H]2c1cccnc1 ZINC000014607612 560847072 /nfs/dbraw/zinc/84/70/72/560847072.db2.gz AVQNOIQEMSWCGJ-XMMPIXPASA-N 0 0 408.505 5.630 40 0 HKABRN CCc1nn2c(c1-c1ccccc1)N=C(c1cccc(OC)c1)C[C@H]2c1cccnc1 ZINC000014607613 560847086 /nfs/dbraw/zinc/84/70/86/560847086.db2.gz AVQNOIQEMSWCGJ-DEOSSOPVSA-N 0 0 408.505 5.630 40 0 HKABRN COc1ccc(-c2c(C)nn3c2N=C(c2ccccc2C)C[C@@H]3c2cccnc2)cc1 ZINC000014607620 560847074 /nfs/dbraw/zinc/84/70/74/560847074.db2.gz UCBLLLBESMDDCJ-XMMPIXPASA-N 0 0 408.505 5.684 40 0 HKABRN COc1ccc(-c2c(C)nn3c2N=C(c2ccccc2C)C[C@H]3c2cccnc2)cc1 ZINC000014607621 560847076 /nfs/dbraw/zinc/84/70/76/560847076.db2.gz UCBLLLBESMDDCJ-DEOSSOPVSA-N 0 0 408.505 5.684 40 0 HKABRN CCc1nn2c(c1-c1ccc(OC)cc1)N=C(c1ccccc1C)C[C@@H]2c1ccccn1 ZINC000014607624 560847109 /nfs/dbraw/zinc/84/71/09/560847109.db2.gz RBSAWKKUSGIIOS-RUZDIDTESA-N 0 0 422.532 5.938 40 0 HKABRN CCc1nn2c(c1-c1ccc(OC)cc1)N=C(c1ccccc1C)C[C@H]2c1ccccn1 ZINC000014607625 560847102 /nfs/dbraw/zinc/84/71/02/560847102.db2.gz RBSAWKKUSGIIOS-VWLOTQADSA-N 0 0 422.532 5.938 40 0 HKABRN COc1ccc(-c2c(C)nn3c2N=C(c2ccccc2OC)C[C@@H]3c2cccnc2)cc1 ZINC000014607630 560847099 /nfs/dbraw/zinc/84/70/99/560847099.db2.gz ZQLHGRXPHSVIIM-HSZRJFAPSA-N 0 0 424.504 5.385 40 0 HKABRN COc1ccc(-c2c(C)nn3c2N=C(c2ccccc2OC)C[C@H]3c2cccnc2)cc1 ZINC000014607631 560847084 /nfs/dbraw/zinc/84/70/84/560847084.db2.gz ZQLHGRXPHSVIIM-QHCPKHFHSA-N 0 0 424.504 5.385 40 0 HKABRN CCc1nn2c(c1-c1ccccc1)N=C(c1ccccc1OC)C[C@@H]2c1ccccn1 ZINC000014607632 560847111 /nfs/dbraw/zinc/84/71/11/560847111.db2.gz CASHYLUKLLFPAC-HSZRJFAPSA-N 0 0 408.505 5.630 40 0 HKABRN CCc1nn2c(c1-c1ccccc1)N=C(c1ccccc1OC)C[C@H]2c1ccccn1 ZINC000014607633 560847082 /nfs/dbraw/zinc/84/70/82/560847082.db2.gz CASHYLUKLLFPAC-QHCPKHFHSA-N 0 0 408.505 5.630 40 0 HKABRN CCc1nn2c(c1-c1ccc(Cl)cc1)N=C(c1ccco1)C[C@@H]2c1ccccn1 ZINC000014607646 560847081 /nfs/dbraw/zinc/84/70/81/560847081.db2.gz GUQSORVSTKOVGY-HXUWFJFHSA-N 0 0 402.885 5.868 40 0 HKABRN CCc1nn2c(c1-c1ccc(Cl)cc1)N=C(c1ccco1)C[C@H]2c1ccccn1 ZINC000014607647 560847079 /nfs/dbraw/zinc/84/70/79/560847079.db2.gz GUQSORVSTKOVGY-FQEVSTJZSA-N 0 0 402.885 5.868 40 0 HKABRN Cc1nn2c(nnc3c2C[C@@H](C=Cc2ccccc2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000014607705 560847210 /nfs/dbraw/zinc/84/72/10/560847210.db2.gz JXENGZXVBSWRNV-IWAYRVGRSA-N 0 0 414.896 5.212 40 0 HKABRN Cc1nn2c(nnc3c2C[C@H](C=Cc2ccccc2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000014607706 560847247 /nfs/dbraw/zinc/84/72/47/560847247.db2.gz JXENGZXVBSWRNV-OZSKJFCKSA-N 0 0 414.896 5.212 40 0 HKABRN CC1=Nc2ccccc2N=C(NC(=O)CSc2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000014607991 560847300 /nfs/dbraw/zinc/84/73/00/560847300.db2.gz NEXUADRUVUUSAW-QFIPXVFZSA-N 0 0 418.497 5.049 40 0 HKABRN CC1=Nc2ccccc2N=C(NC(=O)CSc2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000014607992 560847339 /nfs/dbraw/zinc/84/73/39/560847339.db2.gz NEXUADRUVUUSAW-JOCHJYFZSA-N 0 0 418.497 5.049 40 0 HKABRN COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)Cc2cccs2)cc1 ZINC000014608007 560847342 /nfs/dbraw/zinc/84/73/42/560847342.db2.gz PJBMMRHTWBQOEF-QFIPXVFZSA-N 0 0 403.507 5.035 40 0 HKABRN COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)Cc2cccs2)cc1 ZINC000014608008 560847329 /nfs/dbraw/zinc/84/73/29/560847329.db2.gz PJBMMRHTWBQOEF-JOCHJYFZSA-N 0 0 403.507 5.035 40 0 HKABRN COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2cccs2)cc1OC ZINC000014608039 560847312 /nfs/dbraw/zinc/84/73/12/560847312.db2.gz METPTDWFJHDUNC-NRFANRHFSA-N 0 0 419.506 5.115 40 0 HKABRN COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2cccs2)cc1OC ZINC000014608040 560847326 /nfs/dbraw/zinc/84/73/26/560847326.db2.gz METPTDWFJHDUNC-OAQYLSRUSA-N 0 0 419.506 5.115 40 0 HKABRN CCC1=Nc2ccccc2N=C(NC(=O)c2cccs2)[C@@H]1c1ccc(OC)cc1 ZINC000014608093 560847345 /nfs/dbraw/zinc/84/73/45/560847345.db2.gz VJBAFIJVWYRMHP-OAQYLSRUSA-N 0 0 403.507 5.497 40 0 HKABRN CCC1=Nc2ccccc2N=C(NC(=O)c2cccs2)[C@H]1c1ccc(OC)cc1 ZINC000014608094 560847305 /nfs/dbraw/zinc/84/73/05/560847305.db2.gz VJBAFIJVWYRMHP-NRFANRHFSA-N 0 0 403.507 5.497 40 0 HKABRN Cc1ccc2c(C)nc(Nc3nc(SCc4ccc(Cl)cc4)cc(=O)[nH]3)nc2c1 ZINC000014608239 560847459 /nfs/dbraw/zinc/84/74/59/560847459.db2.gz PGSXJCNLOGMONR-UHFFFAOYSA-N 0 0 423.929 5.019 40 0 HKABRN Cc1cc(C)nc(Nc2ncc(-c3ccc(Br)cc3)n2-c2ccccc2)n1 ZINC000014608327 560847473 /nfs/dbraw/zinc/84/74/73/560847473.db2.gz MQUMOTOEKIYYAM-UHFFFAOYSA-N 0 0 420.314 5.452 40 0 HKABRN COc1ccc(-n2c(-c3ccc(Cl)cc3)cnc2Nc2nc(C)cc(C)n2)cc1 ZINC000014608332 560847469 /nfs/dbraw/zinc/84/74/69/560847469.db2.gz PCERHQOBLFTWSG-UHFFFAOYSA-N 0 0 405.889 5.352 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccccc2)cc1 ZINC000014609683 569344917 /nfs/dbraw/zinc/34/49/17/569344917.db2.gz YQTFPWWLYRDOJD-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000014649183 560847615 /nfs/dbraw/zinc/84/76/15/560847615.db2.gz UOLCZOVEVVYFCO-UHFFFAOYSA-N 0 0 417.130 6.187 40 0 HKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000014649241 560847625 /nfs/dbraw/zinc/84/76/25/560847625.db2.gz GZRMFGCZYQFGAY-UHFFFAOYSA-N 0 0 417.130 6.187 40 0 HKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1Cl ZINC000014649326 560847657 /nfs/dbraw/zinc/84/76/57/560847657.db2.gz QLRKKKOFIMURHX-UHFFFAOYSA-N 0 0 417.130 6.187 40 0 HKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000014649366 560847633 /nfs/dbraw/zinc/84/76/33/560847633.db2.gz ZSBUIXGPHJOBGJ-UHFFFAOYSA-N 0 0 417.130 6.187 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)Nc2cccc3ccccc32)c(Br)c1 ZINC000014649474 558662761 /nfs/dbraw/zinc/66/27/61/558662761.db2.gz IWBIDVJLIYGRAZ-UHFFFAOYSA-N 0 0 412.327 5.917 40 0 HKABRN Cc1cc(C)c(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c(C)c1 ZINC000014649518 558662756 /nfs/dbraw/zinc/66/27/56/558662756.db2.gz OVTAYEHPIIXYGA-UHFFFAOYSA-N 0 0 404.348 5.689 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000014649533 558662691 /nfs/dbraw/zinc/66/26/91/558662691.db2.gz JITCNPUGEHKTIU-UHFFFAOYSA-N 0 0 410.739 5.726 40 0 HKABRN Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Cl ZINC000014649587 558662946 /nfs/dbraw/zinc/66/29/46/558662946.db2.gz MFPGQFIYYMZSRB-UHFFFAOYSA-N 0 0 410.739 5.726 40 0 HKABRN CCOc1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000014649600 558662865 /nfs/dbraw/zinc/66/28/65/558662865.db2.gz YPWWSWFCNVQLFC-UHFFFAOYSA-N 0 0 406.320 5.163 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(Br)c1 ZINC000014649608 558662949 /nfs/dbraw/zinc/66/29/49/558662949.db2.gz PJXVHZOPOLXIGA-UHFFFAOYSA-N 0 0 414.702 5.557 40 0 HKABRN CCc1cccc(C)c1NC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000014649640 558662885 /nfs/dbraw/zinc/66/28/85/558662885.db2.gz AZQMSGYDSXIPKY-UHFFFAOYSA-N 0 0 404.348 5.635 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000014649644 558662964 /nfs/dbraw/zinc/66/29/64/558662964.db2.gz WZWOOUPTMQGSKL-UHFFFAOYSA-N 0 0 410.739 5.726 40 0 HKABRN CC(C)Oc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000014649705 558662850 /nfs/dbraw/zinc/66/28/50/558662850.db2.gz ZJHOXUFGMGYCML-UHFFFAOYSA-N 0 0 420.347 5.551 40 0 HKABRN CCCOc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000014651602 560847653 /nfs/dbraw/zinc/84/76/53/560847653.db2.gz CEINOGCCRRXJCL-UHFFFAOYSA-N 0 0 403.103 5.797 40 0 HKABRN CCCOc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1 ZINC000014651646 560847623 /nfs/dbraw/zinc/84/76/23/560847623.db2.gz JFWGCSCGKSBJJR-UHFFFAOYSA-N 0 0 413.109 5.253 40 0 HKABRN CCCOc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000014651691 560847637 /nfs/dbraw/zinc/84/76/37/560847637.db2.gz BFOVUFZKPIHIGU-UHFFFAOYSA-N 0 0 403.103 5.797 40 0 HKABRN CCCOc1ccc(Br)cc1C(=O)Nc1ccccc1Br ZINC000014651846 560847617 /nfs/dbraw/zinc/84/76/17/560847617.db2.gz BFKPEKNANUCSAX-UHFFFAOYSA-N 0 0 413.109 5.253 40 0 HKABRN CCCOc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1Cl ZINC000014651854 560847631 /nfs/dbraw/zinc/84/76/31/560847631.db2.gz WJRDBVUOLXORRZ-UHFFFAOYSA-N 0 0 403.103 5.797 40 0 HKABRN CCCOc1ccc(Br)cc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000014651918 560847629 /nfs/dbraw/zinc/84/76/29/560847629.db2.gz SQBSEPZQAAKGSS-UHFFFAOYSA-N 0 0 403.103 5.797 40 0 HKABRN CCOc1ccc(Br)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000014654437 560847663 /nfs/dbraw/zinc/84/76/63/560847663.db2.gz VCIPZPRWDWJMMD-UHFFFAOYSA-N 0 0 412.283 5.892 40 0 HKABRN CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000014664086 558662940 /nfs/dbraw/zinc/66/29/40/558662940.db2.gz NQSXLAQAGCEWBV-SFHVURJKSA-N 0 0 402.494 5.217 40 0 HKABRN CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000014664088 558662937 /nfs/dbraw/zinc/66/29/37/558662937.db2.gz NQSXLAQAGCEWBV-GOSISDBHSA-N 0 0 402.494 5.217 40 0 HKABRN CC(C)Oc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014664114 558662922 /nfs/dbraw/zinc/66/29/22/558662922.db2.gz MCYOWBKHIUQHGL-UHFFFAOYSA-N 0 0 414.549 5.021 40 0 HKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000014665242 560847666 /nfs/dbraw/zinc/84/76/66/560847666.db2.gz LYGINZROCQJEKS-NSHDSACASA-N 0 0 400.733 6.350 40 0 HKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000014665244 560847644 /nfs/dbraw/zinc/84/76/44/560847644.db2.gz LYGINZROCQJEKS-LLVKDONJSA-N 0 0 400.733 6.350 40 0 HKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000014665284 560847619 /nfs/dbraw/zinc/84/76/19/560847619.db2.gz YIRGAYJZCYRDEH-SFHVURJKSA-N 0 0 422.569 5.453 40 0 HKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000014665286 560847642 /nfs/dbraw/zinc/84/76/42/560847642.db2.gz YIRGAYJZCYRDEH-GOSISDBHSA-N 0 0 422.569 5.453 40 0 HKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000014665371 560847646 /nfs/dbraw/zinc/84/76/46/560847646.db2.gz VDOMEGQBPPZNFT-IBGZPJMESA-N 0 0 422.569 5.406 40 0 HKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000014665374 560847627 /nfs/dbraw/zinc/84/76/27/560847627.db2.gz VDOMEGQBPPZNFT-LJQANCHMSA-N 0 0 422.569 5.406 40 0 HKABRN CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000014666375 560847640 /nfs/dbraw/zinc/84/76/40/560847640.db2.gz KSCNFMYZKSHNEO-UHFFFAOYSA-N 0 0 408.542 5.018 40 0 HKABRN Cc1ccc(S(=O)(=O)c2nc(Sc3ccc(Cl)cc3)sc2Cl)cc1 ZINC000014671776 559171879 /nfs/dbraw/zinc/17/18/79/559171879.db2.gz QLSSMXQTNWNVGP-UHFFFAOYSA-N 0 0 416.376 5.742 40 0 HKABRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1ccc(C)c(C)c1 ZINC000014671892 560847775 /nfs/dbraw/zinc/84/77/75/560847775.db2.gz HBFLGNJVSZJSJG-VWLOTQADSA-N 0 0 418.562 5.087 40 0 HKABRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1ccc(C)c(C)c1 ZINC000014671893 560847769 /nfs/dbraw/zinc/84/77/69/560847769.db2.gz HBFLGNJVSZJSJG-RUZDIDTESA-N 0 0 418.562 5.087 40 0 HKABRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1cc(C)cc(C)c1 ZINC000014671894 560847783 /nfs/dbraw/zinc/84/77/83/560847783.db2.gz VKXWQNJYLWVWRR-VWLOTQADSA-N 0 0 418.562 5.087 40 0 HKABRN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1cc(C)cc(C)c1 ZINC000014671895 560847789 /nfs/dbraw/zinc/84/77/89/560847789.db2.gz VKXWQNJYLWVWRR-RUZDIDTESA-N 0 0 418.562 5.087 40 0 HKABRN CC(C)=CCc1c2c(c(=O)c3c(O)c(-c4ccc(O)cc4)coc1-3)C=CC(C)(C)O2 ZINC000014692080 291286428 /nfs/dbraw/zinc/28/64/28/291286428.db2.gz HGHOPAZIUPORIN-UHFFFAOYSA-N 0 0 404.462 5.564 40 0 biogenic,in-vitro HKABRN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1Br ZINC000014731715 558665697 /nfs/dbraw/zinc/66/56/97/558665697.db2.gz ZXAMBLLOJXFUCP-UHFFFAOYSA-N 0 0 405.679 5.329 40 0 HKABRN Cc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000014739619 558666559 /nfs/dbraw/zinc/66/65/59/558666559.db2.gz QLRHWCWGAJCFFY-UHFFFAOYSA-N 0 0 422.550 5.196 40 0 HKABRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2c(C)c(O)cc(C)c2O1 ZINC000014767731 571722602 /nfs/dbraw/zinc/72/26/02/571722602.db2.gz FGYKUFVNYVMTAM-UXRPBPJUSA-N 0 0 410.642 8.292 40 0 endogenous,in-man HKABRN O=C(CCc1ncc(-c2ccccc2)o1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000014773499 558672362 /nfs/dbraw/zinc/67/23/62/558672362.db2.gz QIIVVWCWXZCHSJ-UHFFFAOYSA-N 0 0 418.880 6.359 40 0 HKABRN Oc1cc(O)cc(CCC/C=C\CCCCCCCCCc2cc(O)cc(O)c2)c1 ZINC000014773836 291298812 /nfs/dbraw/zinc/29/88/12/291298812.db2.gz PFIQXUYXVYYERO-ALCCZGGFSA-N 0 0 412.570 6.751 40 0 biogenic,in-vitro HKABRN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(OCc2ccccc2)c1 ZINC000014783594 560848117 /nfs/dbraw/zinc/84/81/17/560848117.db2.gz QOMXBULYLSCTKS-NRFANRHFSA-N 0 0 423.512 6.339 40 0 HKABRN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(OCc2ccccc2)c1 ZINC000014783595 560848154 /nfs/dbraw/zinc/84/81/54/560848154.db2.gz QOMXBULYLSCTKS-OAQYLSRUSA-N 0 0 423.512 6.339 40 0 HKABRN CC(C)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000014784315 558672616 /nfs/dbraw/zinc/67/26/16/558672616.db2.gz PDNMPFLEDCTGMH-UHFFFAOYSA-N 0 0 404.348 5.888 40 0 HKABRN O=C(Nc1ccc(Br)cc1Cl)c1cc(Br)ccc1Cl ZINC000014785348 560849799 /nfs/dbraw/zinc/84/97/99/560849799.db2.gz OODLPMKGEIHHGU-UHFFFAOYSA-N 0 0 423.919 5.771 40 0 HKABRN O=C(Nc1ccc(Br)cc1Cl)c1sc2ccccc2c1Cl ZINC000014785367 560849757 /nfs/dbraw/zinc/84/97/57/560849757.db2.gz NNBPWTNRYSZNRC-UHFFFAOYSA-N 0 0 401.112 6.223 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000014824699 560850317 /nfs/dbraw/zinc/85/03/17/560850317.db2.gz LNVSEBGYUIWALC-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)NCc2ccccc2Cl)c(Br)c1 ZINC000014832597 558674584 /nfs/dbraw/zinc/67/45/84/558674584.db2.gz FXXPPBZGFDUKFD-UHFFFAOYSA-N 0 0 410.739 5.095 40 0 HKABRN C[C@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 ZINC000014833522 560850458 /nfs/dbraw/zinc/85/04/58/560850458.db2.gz AOTVXKKNKPXZEC-MAUBAPBLSA-N 0 0 404.897 5.483 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 ZINC000014833523 560850465 /nfs/dbraw/zinc/85/04/65/560850465.db2.gz AOTVXKKNKPXZEC-HJUDDPQBSA-N 0 0 404.897 5.483 40 0 HKABRN O=C(COc1ccc2ccccc2c1Br)Nc1cccc(C(F)(F)F)c1 ZINC000014835440 558674547 /nfs/dbraw/zinc/67/45/47/558674547.db2.gz NXOJUPVUBNFKOA-UHFFFAOYSA-N 0 0 424.216 5.639 40 0 HKABRN Cc1cc(Br)cc(C)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000014835445 560859139 /nfs/dbraw/zinc/85/91/39/560859139.db2.gz FHKUUUMRRZDHBR-UHFFFAOYSA-N 0 0 402.210 5.102 40 0 HKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000014835464 560850442 /nfs/dbraw/zinc/85/04/42/560850442.db2.gz HWXHIQBVHSXYFU-UHFFFAOYSA-N 0 0 416.237 5.899 40 0 HKABRN CCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000014835467 560850478 /nfs/dbraw/zinc/85/04/78/560850478.db2.gz XZVVACXWFCDHKF-UHFFFAOYSA-N 0 0 402.210 5.509 40 0 HKABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C(C)C)cc2)cc1 ZINC000014909661 560851137 /nfs/dbraw/zinc/85/11/37/560851137.db2.gz JSUZIUHJJDLYKP-UHFFFAOYSA-N 0 0 422.550 5.196 40 0 HKABRN Fc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccc(Cl)cc2Cl)cc1 ZINC000014922268 558679227 /nfs/dbraw/zinc/67/92/27/558679227.db2.gz NTXWFJRBKOBIKT-NRFANRHFSA-N 0 0 419.714 7.142 40 0 HKABRN Fc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccc(Cl)cc2Cl)cc1 ZINC000014922271 558679327 /nfs/dbraw/zinc/67/93/27/558679327.db2.gz NTXWFJRBKOBIKT-OAQYLSRUSA-N 0 0 419.714 7.142 40 0 HKABRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000014922384 558679586 /nfs/dbraw/zinc/67/95/86/558679586.db2.gz OWXRIXNNWKJTDH-UEQSERJNSA-N 0 0 413.904 5.583 40 0 HKABRN COc1ccc(C=Cc2nc3ccccc3nc2OCC(=O)c2ccc(C)c(C)c2)cc1 ZINC000014943522 558679721 /nfs/dbraw/zinc/67/97/21/558679721.db2.gz SJWURXSJUZWQTQ-PTNGSMBKSA-N 0 0 424.500 5.687 40 0 HKABRN C[C@@H](Oc1nc2ccccc2nc1/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000014944075 558679824 /nfs/dbraw/zinc/67/98/24/558679824.db2.gz JLZWOMHNRYVKDX-WCRPCQDQSA-N 0 0 421.327 7.247 40 0 HKABRN C[C@H](Oc1nc2ccccc2nc1/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000014944076 558679732 /nfs/dbraw/zinc/67/97/32/558679732.db2.gz JLZWOMHNRYVKDX-GRNBYLDVSA-N 0 0 421.327 7.247 40 0 HKABRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2F)cc1OC ZINC000015008095 560841200 /nfs/dbraw/zinc/84/12/00/560841200.db2.gz HLZGLUYXROEPEP-UHFFFAOYSA-N 0 0 416.674 5.291 40 0 HKABRN O=C(Nc1ccc(Br)cc1F)c1cc(Br)ccc1Cl ZINC000015008338 558699478 /nfs/dbraw/zinc/69/94/78/558699478.db2.gz GZHDDCICHHECDH-UHFFFAOYSA-N 0 0 407.464 5.256 40 0 HKABRN CCc1cccc2c(/C=C3/SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)c[nH]c21 ZINC000015008703 558699756 /nfs/dbraw/zinc/69/97/56/558699756.db2.gz PZELZPTURRWCSL-QGMBQPNBSA-N 0 0 414.889 5.759 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1OC ZINC000015008950 558699716 /nfs/dbraw/zinc/69/97/16/558699716.db2.gz RDUIQHMUAZSZOW-MQMKENTISA-N 0 0 415.486 5.248 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1OC ZINC000015008953 558699704 /nfs/dbraw/zinc/69/97/04/558699704.db2.gz RDUIQHMUAZSZOW-PVGUKEHMSA-N 0 0 415.486 5.248 40 0 HKABRN Cc1c(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c2ccccc2n1C ZINC000015009091 558699738 /nfs/dbraw/zinc/69/97/38/558699738.db2.gz OGWODVHFKQVKOD-VXLYETTFSA-N 0 0 414.889 5.516 40 0 HKABRN CCc1cccc2c(/C=C3/SC(=O)N(Cc4c(F)cccc4Cl)C3=O)c[nH]c21 ZINC000015009195 558699781 /nfs/dbraw/zinc/69/97/81/558699781.db2.gz HKOQINKGJOTPIL-GIJQJNRQSA-N 0 0 414.889 5.759 40 0 HKABRN CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2F)C1=O ZINC000015009299 558699784 /nfs/dbraw/zinc/69/97/84/558699784.db2.gz IUTISFYJQRJALE-LPYMAVHISA-N 0 0 421.493 6.003 40 0 HKABRN CCOc1c(Br)cc(C(=O)Nc2cccc(Cl)c2Cl)cc1OC ZINC000015010822 560851947 /nfs/dbraw/zinc/85/19/47/560851947.db2.gz YTICGJXDZUQQQT-UHFFFAOYSA-N 0 0 419.102 5.416 40 0 HKABRN Cc1ccc(COc2c(Cl)cc(/C=C3/C(=O)Nc4ccccc43)cc2Cl)cc1 ZINC000015011359 558700591 /nfs/dbraw/zinc/70/05/91/558700591.db2.gz FOOGHTUIJYBOGN-VCHYOVAHSA-N 0 0 410.300 6.374 40 0 HKABRN O=C1Nc2ccccc2/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000015011365 558700578 /nfs/dbraw/zinc/70/05/78/558700578.db2.gz SYXCEZSRSJFXNO-DEDYPNTBSA-N 0 0 406.279 5.521 40 0 HKABRN O=C1Nc2ccccc2/C1=C\c1ccccc1OCc1ccc(Br)cc1 ZINC000015011367 558700564 /nfs/dbraw/zinc/70/05/64/558700564.db2.gz SVBHPIVUDPQLIP-CPNJWEJPSA-N 0 0 406.279 5.521 40 0 HKABRN CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCc1ccccc1Cl ZINC000015011369 558700561 /nfs/dbraw/zinc/70/05/61/558700561.db2.gz NQDYQJZPXYIAJY-CPNJWEJPSA-N 0 0 405.881 5.810 40 0 HKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000015014029 558701427 /nfs/dbraw/zinc/70/14/27/558701427.db2.gz CFVUBTCWQIKUEP-JTQLQIEISA-N 0 0 417.214 5.004 40 0 HKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000015014031 558701369 /nfs/dbraw/zinc/70/13/69/558701369.db2.gz CFVUBTCWQIKUEP-SNVBAGLBSA-N 0 0 417.214 5.004 40 0 HKABRN O=C1CS[C@H](c2ccc(Br)cc2)N1c1ccc(Cl)c(Cl)c1 ZINC000015014115 558701358 /nfs/dbraw/zinc/70/13/58/558701358.db2.gz WRGQSXNAJBDKQK-OAHLLOKOSA-N 0 0 403.128 5.535 40 0 HKABRN O=C1CS[C@@H](c2ccc(Br)cc2)N1c1ccc(Cl)c(Cl)c1 ZINC000015014117 558701450 /nfs/dbraw/zinc/70/14/50/558701450.db2.gz WRGQSXNAJBDKQK-HNNXBMFYSA-N 0 0 403.128 5.535 40 0 HKABRN Cc1ccc(NC(=O)c2sc(=S)n(-c3ccc(Br)cc3)c2N)cc1 ZINC000015015105 558701403 /nfs/dbraw/zinc/70/14/03/558701403.db2.gz RKLDDDTVFLLSDB-UHFFFAOYSA-N 0 0 420.357 5.174 40 0 HKABRN Cc1ccccc1NC(=O)c1sc(=S)n(-c2ccc(Br)cc2)c1N ZINC000015015113 558701442 /nfs/dbraw/zinc/70/14/42/558701442.db2.gz PEEPPDQPNYPVFI-UHFFFAOYSA-N 0 0 420.357 5.174 40 0 HKABRN CCCCCCSc1nnc2c(n1)O[C@@H](CC)Nc1ccc(Br)cc1-2 ZINC000015015955 558701815 /nfs/dbraw/zinc/70/18/15/558701815.db2.gz XFHCZXNSTVLZAF-HNNXBMFYSA-N 0 0 423.380 5.514 40 0 HKABRN CCCCCCSc1nnc2c(n1)O[C@H](CC)Nc1ccc(Br)cc1-2 ZINC000015015956 558701785 /nfs/dbraw/zinc/70/17/85/558701785.db2.gz XFHCZXNSTVLZAF-OAHLLOKOSA-N 0 0 423.380 5.514 40 0 HKABRN CCCCCSc1nnc2c(n1)O[C@@](C)(CC)Nc1ccc(Br)cc1-2 ZINC000015015993 558701782 /nfs/dbraw/zinc/70/17/82/558701782.db2.gz LMLOVCHXCVLWIY-SFHVURJKSA-N 0 0 423.380 5.514 40 0 HKABRN CCCCCSc1nnc2c(n1)O[C@](C)(CC)Nc1ccc(Br)cc1-2 ZINC000015015994 558701860 /nfs/dbraw/zinc/70/18/60/558701860.db2.gz LMLOVCHXCVLWIY-GOSISDBHSA-N 0 0 423.380 5.514 40 0 HKABRN CCCCCCSc1nnc2c(n1)OC(C)(C)Nc1ccc(Br)cc1-2 ZINC000015016077 558701757 /nfs/dbraw/zinc/70/17/57/558701757.db2.gz CXBJRORXPFWLGI-UHFFFAOYSA-N 0 0 423.380 5.514 40 0 HKABRN O=C1Nc2c(cc(Br)cc2Br)/C1=C/c1ccc(Cl)cc1 ZINC000015016369 558702031 /nfs/dbraw/zinc/70/20/31/558702031.db2.gz IPXVAODTZHAWRF-XGICHPGQSA-N 0 0 413.496 5.358 40 0 HKABRN CC(C)(C)c1cc(-c2ccc(Cl)cc2)n(-c2c(Cl)cc(Cl)cc2Cl)n1 ZINC000015016490 558702310 /nfs/dbraw/zinc/70/23/10/558702310.db2.gz RVRTYLQOYDVASG-UHFFFAOYSA-N 0 0 414.163 7.450 40 0 HKABRN CCOC(=O)c1oc2ccc(Cl)cc2c1CNc1cccc(OC(F)(F)F)c1 ZINC000015017528 558702726 /nfs/dbraw/zinc/70/27/26/558702726.db2.gz KIHJUIVHMOBFKX-UHFFFAOYSA-N 0 0 413.779 5.774 40 0 HKABRN COc1cc(NC(=O)Nc2ccc(C)cc2)c(C(=O)c2ccccc2Cl)cc1OC ZINC000015022404 558703509 /nfs/dbraw/zinc/70/35/09/558703509.db2.gz WQLZMKRMIXBEBX-UHFFFAOYSA-N 0 0 424.884 5.541 40 0 HKABRN CCOC(=O)c1ccc(-c2ccc([C@H]3O[C@@H]4CCCC[C@@H]4c4sccc43)o2)cc1 ZINC000015023739 569326712 /nfs/dbraw/zinc/32/67/12/569326712.db2.gz CRUCRXHYCUGCRX-WEYGHZABSA-N 0 0 408.519 6.331 40 0 HKABRN COc1cc([C@H]2O[C@@H]3CCCC[C@@H]3c3sccc32)ccc1OCc1ccccc1 ZINC000015023749 569326727 /nfs/dbraw/zinc/32/67/27/569326727.db2.gz HKUBQVLWDXNOTL-XZDHIHRUSA-N 0 0 406.547 6.482 40 0 HKABRN Cc1ccc(COc2ccc(Br)cc2C=C2SC(=S)NC2=O)cc1 ZINC000015055780 560852337 /nfs/dbraw/zinc/85/23/37/560852337.db2.gz PWUOHNOVLXEVPF-SXGWCWSVSA-N 0 0 420.353 5.666 40 0 HKABRN CC(C)C[C@@H](NC(=O)c1ccc(C(C)C)cc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000015079873 558987073 /nfs/dbraw/zinc/98/70/73/558987073.db2.gz RPTGLKRMSVHJEY-HXUWFJFHSA-N 0 0 404.913 5.386 40 0 HKABRN CC(C)C[C@H](NC(=O)c1ccc(C(C)C)cc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000015079876 558987027 /nfs/dbraw/zinc/98/70/27/558987027.db2.gz RPTGLKRMSVHJEY-FQEVSTJZSA-N 0 0 404.913 5.386 40 0 HKABRN COc1ccc(Cl)cc1-c1nnc2sc(-c3ccc(Cl)cc3Cl)nn21 ZINC000015085489 558720212 /nfs/dbraw/zinc/72/02/12/558720212.db2.gz XNNUKEVXLMEWQH-UHFFFAOYSA-N 0 0 411.701 5.489 40 0 HKABRN Cc1ccccc1C(=O)Oc1c(Br)cc(Br)c2cccnc21 ZINC000015134438 558724726 /nfs/dbraw/zinc/72/47/26/558724726.db2.gz JTUVZPBERQPYFZ-UHFFFAOYSA-N 0 0 421.088 5.287 40 0 HKABRN C[C@@H]1C[C@@H](NC(=O)c2cccc(C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 ZINC000015134474 569326725 /nfs/dbraw/zinc/32/67/25/569326725.db2.gz GEDYDMDWVRNOIZ-MCEIDBOGSA-N 0 0 412.618 5.576 40 0 HKABRN C[C@H]1C[C@@H](NC(=O)c2cccc(C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 ZINC000015134476 568775042 /nfs/dbraw/zinc/77/50/42/568775042.db2.gz GEDYDMDWVRNOIZ-GMQQQROESA-N 0 0 412.618 5.576 40 0 HKABRN OCCn1c(-c2ccc3ccccc3c2)cs/c1=N\c1cccc(C(F)(F)F)c1 ZINC000015188477 558987750 /nfs/dbraw/zinc/98/77/50/558987750.db2.gz YUQDVAYHBPKBOX-QLYXXIJNSA-N 0 0 414.452 5.613 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000015189126 569344966 /nfs/dbraw/zinc/34/49/66/569344966.db2.gz FXYKRCPJRVDUGM-GXDHUFHOSA-N 0 0 407.813 5.362 40 0 HKABRN c1ccc(-c2nc3nc(-c4ccccc4)c(-c4ccccc4)nn3c2-c2ccccc2)cc1 ZINC000015218677 558728199 /nfs/dbraw/zinc/72/81/99/558728199.db2.gz YDWJRKLTCQTYIH-UHFFFAOYSA-N 0 0 424.507 6.792 40 0 HKABRN Cc1cc(C)cc(CSCC(=O)NCCSCc2c(F)cccc2Cl)c1 ZINC000015225264 558728513 /nfs/dbraw/zinc/72/85/13/558728513.db2.gz HAESTMYMVCXRAJ-UHFFFAOYSA-N 0 0 411.995 5.379 40 0 HKABRN N=C1NC(=O)/C(=C/c2c(OCc3cccc4ccccc43)ccc3ccccc32)S1 ZINC000015225290 569344947 /nfs/dbraw/zinc/34/49/47/569344947.db2.gz DINCSJDOBKQPKA-UCQKPKSFSA-N 0 0 410.498 5.711 40 0 HKABRN Cc1cc(=O)oc2cc(Oc3ncnc4scc(-c5ccccc5Cl)c43)ccc12 ZINC000015225620 558988022 /nfs/dbraw/zinc/98/80/22/558988022.db2.gz UYCHZYUTCIHDSB-UHFFFAOYSA-N 0 0 420.877 6.219 40 0 HKABRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc(Cl)ccc1O ZINC000015227887 558988085 /nfs/dbraw/zinc/98/80/85/558988085.db2.gz OTFUFGKDNNYQKZ-HXUWFJFHSA-N 0 0 401.245 5.480 40 0 HKABRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc(Cl)ccc1O ZINC000015227889 558988052 /nfs/dbraw/zinc/98/80/52/558988052.db2.gz OTFUFGKDNNYQKZ-FQEVSTJZSA-N 0 0 401.245 5.480 40 0 HKABRN O=c1c2ccccc2nc(SCCOc2ccccc2Cl)n1-c1ccccc1 ZINC000015228131 560854296 /nfs/dbraw/zinc/85/42/96/560854296.db2.gz VEWUEPNGMDBYDO-UHFFFAOYSA-N 0 0 408.910 5.210 40 0 HKABRN O=C(c1ccc(CSc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000015229254 560853929 /nfs/dbraw/zinc/85/39/29/560853929.db2.gz DESTUGMVKPAJGS-UHFFFAOYSA-N 0 0 401.575 6.074 40 0 HKABRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000015229287 558728943 /nfs/dbraw/zinc/72/89/43/558728943.db2.gz QBAXRMTXFODEHH-MHZLTWQESA-N 0 0 422.503 6.500 40 0 HKABRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000015229289 558728958 /nfs/dbraw/zinc/72/89/58/558728958.db2.gz QBAXRMTXFODEHH-HHHXNRCGSA-N 0 0 422.503 6.500 40 0 HKABRN Cc1cc(C)c(C2(C)CC(C(=O)c3cc4cc(Br)ccc4o3)C2)c(C)c1 ZINC000015230124 558729238 /nfs/dbraw/zinc/72/92/38/558729238.db2.gz WFXGKDNCGLATJE-UHFFFAOYSA-N 0 0 411.339 6.671 40 0 HKABRN Cn1c2c(sc1=NC(=O)C(c1ccccc1)c1ccccc1)CCc1ccccc1-2 ZINC000015230392 558729231 /nfs/dbraw/zinc/72/92/31/558729231.db2.gz MKEQTGWIMXKSMF-RQZHXJHFSA-N 0 0 410.542 5.112 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccccc2)cc1)c1ccco1 ZINC000015277027 558730155 /nfs/dbraw/zinc/73/01/55/558730155.db2.gz FKBGJYRLLHOPDW-UHFFFAOYSA-N 0 0 423.390 7.010 40 0 HKABRN Cc1ccc(C2=N/C(=C/c3ccc(OCc4c(F)cccc4Cl)cc3)C(=O)O2)cc1 ZINC000015277427 558730439 /nfs/dbraw/zinc/73/04/39/558730439.db2.gz UTLXEMVPJPZWFN-LPYMAVHISA-N 0 0 421.855 5.711 40 0 HKABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000015316945 558731939 /nfs/dbraw/zinc/73/19/39/558731939.db2.gz KKJIVRWTQNEJGM-OAHLLOKOSA-N 0 0 412.283 5.647 40 0 HKABRN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000015316947 558732013 /nfs/dbraw/zinc/73/20/13/558732013.db2.gz KKJIVRWTQNEJGM-HNNXBMFYSA-N 0 0 412.283 5.647 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000015319955 560854461 /nfs/dbraw/zinc/85/44/61/560854461.db2.gz LJMXUZRIVNVEJA-UHFFFAOYSA-N 0 0 418.345 6.547 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccccc1 ZINC000015325284 558733443 /nfs/dbraw/zinc/73/34/43/558733443.db2.gz ZNZPUKSEEJNHQT-IAGOWNOFSA-N 0 0 422.912 5.237 40 0 HKABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000015325286 558733358 /nfs/dbraw/zinc/73/33/58/558733358.db2.gz ZNZPUKSEEJNHQT-DLBZAZTESA-N 0 0 422.912 5.237 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccccc1 ZINC000015325288 558733463 /nfs/dbraw/zinc/73/34/63/558733463.db2.gz ZNZPUKSEEJNHQT-SJORKVTESA-N 0 0 422.912 5.237 40 0 HKABRN C[C@H](NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccccc1 ZINC000015325290 558733457 /nfs/dbraw/zinc/73/34/57/558733457.db2.gz ZNZPUKSEEJNHQT-IRXDYDNUSA-N 0 0 422.912 5.237 40 0 HKABRN O=C(CSc1ccc(Br)cc1)Nc1ccc(Br)cc1F ZINC000015327069 560854540 /nfs/dbraw/zinc/85/45/40/560854540.db2.gz LOCJVVXUWQLEMP-UHFFFAOYSA-N 0 0 419.113 5.082 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2C)cc1 ZINC000015408807 569345028 /nfs/dbraw/zinc/34/50/28/569345028.db2.gz GCCAFCQNAYXKIR-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc(Cl)cc2Cl)cc(Br)c1OC ZINC000015431990 569344982 /nfs/dbraw/zinc/34/49/82/569344982.db2.gz XKTJXVXFRCWYSK-UHFFFAOYSA-N 0 0 419.102 5.416 40 0 HKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1Cl ZINC000015438735 558740027 /nfs/dbraw/zinc/74/00/27/558740027.db2.gz PQZSVIBIUIPWQC-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000015438776 558740038 /nfs/dbraw/zinc/74/00/38/558740038.db2.gz OVVFSESMWNTBAE-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c(C)c1 ZINC000015438795 558740032 /nfs/dbraw/zinc/74/00/32/558740032.db2.gz ZBZCPXJCJIGYMG-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Oc1ccc(C(c2ccc(O)cc2)(c2ccc(C(F)(F)F)cc2)C(F)(F)F)cc1 ZINC000015442328 558740198 /nfs/dbraw/zinc/74/01/98/558740198.db2.gz FAJNBUWLSYLTGH-UHFFFAOYSA-N 0 0 412.329 6.013 40 0 HKABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000015449195 568915182 /nfs/dbraw/zinc/91/51/82/568915182.db2.gz GMBQZIIUCVWOCD-GIQKDXPTSA-N 0 0 416.646 5.794 40 0 biogenic HKABRN CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 ZINC000015509417 558741962 /nfs/dbraw/zinc/74/19/62/558741962.db2.gz NWHIZERUMHWWSQ-UHFFFAOYSA-N 0 0 412.486 5.002 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1C ZINC000015529239 558742689 /nfs/dbraw/zinc/74/26/89/558742689.db2.gz XIOBCEUDGJAMCE-UHFFFAOYSA-N 0 0 420.490 5.103 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3C)c2)cc1 ZINC000015541101 558742872 /nfs/dbraw/zinc/74/28/72/558742872.db2.gz MBEGHBPEYWBWQA-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3C)c2)c1 ZINC000015542040 558743140 /nfs/dbraw/zinc/74/31/40/558743140.db2.gz UQTLPCWZWTWTJL-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(Oc2ccccc2)cc1 ZINC000015578920 558744615 /nfs/dbraw/zinc/74/46/15/558744615.db2.gz UBZUWLFJEFAQPK-UHFFFAOYSA-N 0 0 403.413 5.239 40 0 HKABRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC(c1ccccc1)c1ccccc1 ZINC000015583075 558744816 /nfs/dbraw/zinc/74/48/16/558744816.db2.gz SYEQLHCXYOGCCV-UHFFFAOYSA-N 0 0 417.896 5.228 40 0 HKABRN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000015583713 558744934 /nfs/dbraw/zinc/74/49/34/558744934.db2.gz IVVSPWXOJLQDCU-UHFFFAOYSA-N 0 0 413.758 5.119 40 0 HKABRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1Oc1ccccc1 ZINC000015585046 558744917 /nfs/dbraw/zinc/74/49/17/558744917.db2.gz DBPCCTXNMFYZDG-UHFFFAOYSA-N 0 0 419.868 5.754 40 0 HKABRN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccccc1Oc1ccccc1 ZINC000015585071 558744897 /nfs/dbraw/zinc/74/48/97/558744897.db2.gz VARIVSYBJVBHOP-UHFFFAOYSA-N 0 0 403.413 5.239 40 0 HKABRN CCOc1cc(C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC ZINC000015587471 569345065 /nfs/dbraw/zinc/34/50/65/569345065.db2.gz CNIHRTNAVRIKPP-UHFFFAOYSA-N 0 0 419.102 5.416 40 0 HKABRN O=C(Nc1cccc2ccccc21)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000015600488 558745676 /nfs/dbraw/zinc/74/56/76/558745676.db2.gz JRGRYGBBBUWHCO-UHFFFAOYSA-N 0 0 420.465 5.032 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)c3ccc(CN4CCCC4=O)cc3)ccc21 ZINC000015601167 558745559 /nfs/dbraw/zinc/74/55/59/558745559.db2.gz KWPZUXZFERLBKW-UHFFFAOYSA-N 0 0 411.505 5.189 40 0 HKABRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2C)cc1OC ZINC000015649563 560855698 /nfs/dbraw/zinc/85/56/98/560855698.db2.gz UGWBEQPDKKSAAT-UHFFFAOYSA-N 0 0 412.711 5.461 40 0 HKABRN CC(=O)O[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 ZINC000015657762 560855739 /nfs/dbraw/zinc/85/57/39/560855739.db2.gz VDZDKQBSTYNFGG-BNPPXZMESA-N 0 0 404.591 5.529 40 0 HKABRN COc1ccc(NC(=O)O[C@@H]2C=C[C@H](c3c(C)nn(-c4ccc(F)cc4)c3C)C2)cc1 ZINC000015673874 291295458 /nfs/dbraw/zinc/29/54/58/291295458.db2.gz FMZDDPAZGJXXFT-HTAPYJJXSA-N 0 0 421.472 5.298 40 0 biogenic,in-vitro HKABRN c1nc2c([nH]1)CN(CC1CCCCC1)[C@H](c1nc(-c3ccc4ccccc4c3)no1)C2 ZINC000015675652 291299270 /nfs/dbraw/zinc/29/92/70/291299270.db2.gz OQIPLNHERCHEHB-QHCPKHFHSA-N 0 0 413.525 5.293 40 0 biogenic,in-vitro HKABRN Cc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1 ZINC000015675664 291297607 /nfs/dbraw/zinc/29/76/07/291297607.db2.gz IFMZKPMUSDKYKI-DEOSSOPVSA-N 0 0 421.504 5.221 40 0 biogenic,in-vitro HKABRN CC(=O)Nc1ccc(C(c2ccc(NC(C)=O)cc2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000015772715 558752300 /nfs/dbraw/zinc/75/23/00/558752300.db2.gz ZEWKXKZCCQCDDL-UHFFFAOYSA-N 0 0 418.337 5.014 40 0 HKABRN O=C(N[C@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1)NC1CCCCC1 ZINC000015778740 558752775 /nfs/dbraw/zinc/75/27/75/558752775.db2.gz GGTYURXEVHVAAI-IBGZPJMESA-N 0 0 410.905 5.111 40 0 HKABRN O=C(N[C@@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1)NC1CCCCC1 ZINC000015778742 558752818 /nfs/dbraw/zinc/75/28/18/558752818.db2.gz GGTYURXEVHVAAI-LJQANCHMSA-N 0 0 410.905 5.111 40 0 HKABRN CCCCC(CCCC)c1cccc(-c2cccc(C(CCCC)CCCC)n2)n1 ZINC000015781582 569002819 /nfs/dbraw/zinc/00/28/19/569002819.db2.gz XESULGDWYLQAKK-UHFFFAOYSA-N 0 0 408.674 9.072 40 0 HKABRN Cc1nn(-c2ccc(Br)cc2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 ZINC000015921217 558761909 /nfs/dbraw/zinc/76/19/09/558761909.db2.gz NCESIISLKXULSL-UHFFFAOYSA-N 0 0 422.204 5.770 40 0 HKABRN CCCn1c(-c2ccc3ccccc3c2)cs/c1=N\c1cc(Cl)ccc1Cl ZINC000015931215 558992925 /nfs/dbraw/zinc/99/29/25/558992925.db2.gz CJTRAZJTVBHQSN-LVWGJNHUSA-N 0 0 413.373 7.319 40 0 HKABRN O=C(Nc1cccnc1)N(Cc1ccc(C(F)(F)F)cc1)Cc1cccc(Cl)c1 ZINC000015931804 558993020 /nfs/dbraw/zinc/99/30/20/558993020.db2.gz QXXDGBUKHKBYEB-UHFFFAOYSA-N 0 0 419.834 5.988 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc(Cl)ccc1Cl ZINC000015961930 558764219 /nfs/dbraw/zinc/76/42/19/558764219.db2.gz UPIVJKSYCGOQSN-UHFFFAOYSA-N 0 0 419.230 5.101 40 0 HKABRN O=C(Nc1ccccc1Oc1ccccc1)c1ccccc1I ZINC000015963721 560857715 /nfs/dbraw/zinc/85/77/15/560857715.db2.gz AJQWWODIZKBANB-UHFFFAOYSA-N 0 0 415.230 5.336 40 0 HKABRN COc1cc(NC(=O)CCCSc2ccc(Cl)cc2)c(OC)cc1Cl ZINC000015970547 558764408 /nfs/dbraw/zinc/76/44/08/558764408.db2.gz FTZQRMIYJXGSOV-UHFFFAOYSA-N 0 0 400.327 5.522 40 0 HKABRN CCc1ccc(-c2cs/c(=N\c3ccc(C)cc3)n2Cc2ccccc2Cl)cc1 ZINC000015978303 569025251 /nfs/dbraw/zinc/02/52/51/569025251.db2.gz JWYKLXWSEVWKCY-RFBIWTDZSA-N 0 0 418.993 7.022 40 0 HKABRN Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000016005072 559077969 /nfs/dbraw/zinc/07/79/69/559077969.db2.gz NYNDAFOKLBVDTE-UHFFFAOYSA-N 0 0 422.815 5.378 40 0 HKABRN Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)OCC(=O)N5CCCCCC5)(C4)C2)C3)cc1C ZINC000016035672 560858116 /nfs/dbraw/zinc/85/81/16/560858116.db2.gz AUDQTBHSQOTRNE-PRSBGKBPSA-N 0 0 423.597 5.087 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4F)ccc3o2)cc1C ZINC000016136404 560859821 /nfs/dbraw/zinc/85/98/21/560859821.db2.gz MAYYWRFQDJRWBE-UHFFFAOYSA-N 0 0 419.481 5.378 40 0 HKABRN CCc1cc(I)ccc1NC(=O)c1cc(Cl)ccc1Cl ZINC000016161241 558774630 /nfs/dbraw/zinc/77/46/30/558774630.db2.gz BEXGFVSRHPTXOJ-UHFFFAOYSA-N 0 0 420.077 5.413 40 0 HKABRN CCc1cc(I)ccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000016161252 558774576 /nfs/dbraw/zinc/77/45/76/558774576.db2.gz LNQQFMNHZRJQGB-UHFFFAOYSA-N 0 0 420.077 5.413 40 0 HKABRN CCc1cc(I)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000016161262 558774585 /nfs/dbraw/zinc/77/45/85/558774585.db2.gz RBAWBRITLCLHHE-UHFFFAOYSA-N 0 0 420.077 5.413 40 0 HKABRN CCc1ccc(NCN2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)cc1 ZINC000016161964 558774767 /nfs/dbraw/zinc/77/47/67/558774767.db2.gz IFQSZADZYRSGPJ-GZTJUZNOSA-N 0 0 417.328 5.117 40 0 HKABRN CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000016162011 558774806 /nfs/dbraw/zinc/77/48/06/558774806.db2.gz GCROHGADFGCGQH-UHFFFAOYSA-N 0 0 422.937 6.197 40 0 HKABRN CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)Nc1ccccc1Cl)n2C ZINC000016162170 558774832 /nfs/dbraw/zinc/77/48/32/558774832.db2.gz DELHPTHOEXZGJZ-UHFFFAOYSA-N 0 0 423.343 6.967 40 0 HKABRN CN(C)/C=C(/C(=S)N(c1ccccc1)c1ccc2ccccc2c1)c1ccccc1 ZINC000016163007 558775181 /nfs/dbraw/zinc/77/51/81/558775181.db2.gz YLYRNJSEKPMXLC-LHLOQNFPSA-N 0 0 408.570 6.908 40 0 HKABRN CN(C(=O)Nc1cccc2ccccc21)c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000016188748 558776945 /nfs/dbraw/zinc/77/69/45/558776945.db2.gz MWVMWPZSVTUUCF-UHFFFAOYSA-N 0 0 414.892 6.393 40 0 HKABRN CN(c1ccc(Cl)cc1C(=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016188749 558776964 /nfs/dbraw/zinc/77/69/64/558776964.db2.gz YBRZODFGKGUQOD-UHFFFAOYSA-N 0 0 420.317 5.050 40 0 HKABRN CN(c1ccc(C(=O)c2ccc(N(C)c3ccccc3)s2)s1)c1ccccc1 ZINC000016188818 558776997 /nfs/dbraw/zinc/77/69/97/558776997.db2.gz DXUZTSFYQWDTHG-UHFFFAOYSA-N 0 0 404.560 6.576 40 0 HKABRN COc1c(Br)cc(Br)cc1CNCc1ccccc1Cl ZINC000016194494 560859499 /nfs/dbraw/zinc/85/94/99/560859499.db2.gz CDPPETVBICRCNC-UHFFFAOYSA-N 0 0 419.544 5.163 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Br)cc1F ZINC000016194555 558777579 /nfs/dbraw/zinc/77/75/79/558777579.db2.gz TVIMXGDJKUWGEE-GORDUTHDSA-N 0 0 419.077 5.556 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000016194597 558777796 /nfs/dbraw/zinc/77/77/96/558777796.db2.gz USIJHBCFVMGKSQ-GORDUTHDSA-N 0 0 413.713 5.917 40 0 HKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000016194624 558777902 /nfs/dbraw/zinc/77/79/02/558777902.db2.gz DWRTZDVRJJGQOZ-UHFFFAOYSA-N 0 0 414.248 5.458 40 0 HKABRN COc1cc(-c2nc(SCc3ccccc3)nc3c2CCCC3)cc(OC)c1OC ZINC000016195291 558777835 /nfs/dbraw/zinc/77/78/35/558777835.db2.gz NBMJWROFJJHDDA-UHFFFAOYSA-N 0 0 422.550 5.341 40 0 HKABRN COc1cc(-c2c/c(=N\c3ccc(Br)cc3)c3ccccc3o2)ccc1O ZINC000016196052 558778032 /nfs/dbraw/zinc/77/80/32/558778032.db2.gz QVPDOLAZHSVFFQ-HKOYGPOVSA-N 0 0 422.278 5.809 40 0 HKABRN COc1cc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc(OC)c1OC ZINC000016213346 560859517 /nfs/dbraw/zinc/85/95/17/560859517.db2.gz DASPQRDREBSEJB-UHFFFAOYSA-N 0 0 410.495 5.314 40 0 HKABRN COc1ccc(C(=O)C[C@@H](Sc2ccc(OC)c(OC)c2)c2ccccc2)cc1 ZINC000016216218 558779074 /nfs/dbraw/zinc/77/90/74/558779074.db2.gz SSAZZLSHPFFXTB-XMMPIXPASA-N 0 0 408.519 5.819 40 0 HKABRN COc1ccc(C(=O)C[C@H](Sc2ccc(OC)c(OC)c2)c2ccccc2)cc1 ZINC000016216221 558779072 /nfs/dbraw/zinc/77/90/72/558779072.db2.gz SSAZZLSHPFFXTB-DEOSSOPVSA-N 0 0 408.519 5.819 40 0 HKABRN COc1ccc(C(=O)C[C@@H](Sc2cccc(Cl)c2Cl)c2ccccc2)cc1 ZINC000016216224 558779080 /nfs/dbraw/zinc/77/90/80/558779080.db2.gz DZNTZOPJZLZLGS-OAQYLSRUSA-N 0 0 417.357 7.108 40 0 HKABRN COc1ccc(C(=O)C[C@H](Sc2cccc(Cl)c2Cl)c2ccccc2)cc1 ZINC000016216227 558779197 /nfs/dbraw/zinc/77/91/97/558779197.db2.gz DZNTZOPJZLZLGS-NRFANRHFSA-N 0 0 417.357 7.108 40 0 HKABRN COc1ccc([C@H]2C(=O)c3ccccc3N2C(=O)c2ccc(Br)cc2)cc1 ZINC000016216486 558779242 /nfs/dbraw/zinc/77/92/42/558779242.db2.gz JSDSVALWVILERD-FQEVSTJZSA-N 0 0 422.278 5.042 40 0 HKABRN COc1ccc(-c2nnn3c2SC(c2ccccc2)=C(c2ccccc2)C=N3)cc1 ZINC000016217394 558779207 /nfs/dbraw/zinc/77/92/07/558779207.db2.gz ZLZYGJZYPJYTAM-UHFFFAOYSA-N 0 0 410.502 5.462 40 0 HKABRN COc1ccc(-c2ccc(C(=O)c3ccc(-c4ccc(OC)cc4)s3)s2)cc1 ZINC000016217440 558779226 /nfs/dbraw/zinc/77/92/26/558779226.db2.gz YSDGLRPMGQSMIZ-UHFFFAOYSA-N 0 0 406.528 6.392 40 0 HKABRN S=C(Nc1ccccc1)Nc1ccc(NC(=S)Nc2ccccc2)c(Cl)c1 ZINC000016220017 558779280 /nfs/dbraw/zinc/77/92/80/558779280.db2.gz VLOZGHVFWATHFR-UHFFFAOYSA-N 0 0 412.971 5.958 40 0 HKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000016226474 560859485 /nfs/dbraw/zinc/85/94/85/560859485.db2.gz RACSARTYNOABTG-FARCUNLSSA-N 0 0 423.719 5.373 40 0 HKABRN COc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1Br ZINC000016226636 524624081 /nfs/dbraw/zinc/62/40/81/524624081.db2.gz XPCUFPLTEBKHHH-UHFFFAOYSA-N 0 0 419.500 5.126 40 0 HKABRN COc1ccc(NCc2c(OCc3ccccc3F)ccc3ccccc32)cc1Cl ZINC000016226882 558779774 /nfs/dbraw/zinc/77/97/74/558779774.db2.gz KOCVOSOADLAHMF-UHFFFAOYSA-N 0 0 421.899 6.832 40 0 HKABRN COc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)cc1Cl ZINC000016226894 558779833 /nfs/dbraw/zinc/77/98/33/558779833.db2.gz MTFTXMMXUMYFNM-UHFFFAOYSA-N 0 0 419.955 5.442 40 0 HKABRN COc1ccc(S[C@@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2)cc1OC ZINC000016227574 558779742 /nfs/dbraw/zinc/77/97/42/558779742.db2.gz FSCJESPLOZDUTD-QHCPKHFHSA-N 0 0 412.938 6.464 40 0 HKABRN COc1ccc(S[C@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2)cc1OC ZINC000016227576 558779818 /nfs/dbraw/zinc/77/98/18/558779818.db2.gz FSCJESPLOZDUTD-HSZRJFAPSA-N 0 0 412.938 6.464 40 0 HKABRN COc1ccc2c(c1)nc(SCC(=O)c1ccc(Cl)s1)cc2C(F)(F)F ZINC000016227848 558779842 /nfs/dbraw/zinc/77/98/42/558779842.db2.gz RJRFLLVBNRWOLM-UHFFFAOYSA-N 0 0 417.861 5.952 40 0 HKABRN COc1ccc2c(c1)nc(SCc1cn3cc(Cl)ccc3n1)cc2C(F)(F)F ZINC000016227855 558779736 /nfs/dbraw/zinc/77/97/36/558779736.db2.gz PSBUWKWNJXGGFA-UHFFFAOYSA-N 0 0 423.847 5.856 40 0 HKABRN COc1cccc(CNc2ccc(Br)cc2)c1OCc1ccc(F)cc1 ZINC000016228227 558780130 /nfs/dbraw/zinc/78/01/30/558780130.db2.gz OIMPHGIALQZAIZ-UHFFFAOYSA-N 0 0 416.290 5.788 40 0 HKABRN CC(=O)Nc1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 ZINC000016249255 558780957 /nfs/dbraw/zinc/78/09/57/558780957.db2.gz YMWCENJWRSZUQU-UHFFFAOYSA-N 0 0 415.704 5.240 40 0 HKABRN Cc1c(N)c(Br)cc(Br)c1-c1nc2cc(Cl)ccc2o1 ZINC000016249303 560859636 /nfs/dbraw/zinc/85/96/36/560859636.db2.gz RMNVAXUUTADJGF-UHFFFAOYSA-N 0 0 416.500 5.564 40 0 HKABRN Cc1c(Cl)cccc1-c1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2)o1 ZINC000016250043 558781107 /nfs/dbraw/zinc/78/11/07/558781107.db2.gz VSXNRVDWDSRCSA-ZRDIBKRKSA-N 0 0 422.912 5.397 40 0 HKABRN Cc1nc2ccccc2nc1CN(Cc1nc2ccccc2nc1C)c1ccccc1 ZINC000016265160 558782055 /nfs/dbraw/zinc/78/20/55/558782055.db2.gz ICFPAKGIGIYKFR-UHFFFAOYSA-N 0 0 405.505 5.397 40 0 HKABRN Cc1nc2ccccc2nc1CN(C(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000016265169 558782012 /nfs/dbraw/zinc/78/20/12/558782012.db2.gz XAQDZCFRLHMNOK-UHFFFAOYSA-N 0 0 401.897 5.368 40 0 HKABRN Cc1nc2ccccc2nc1COc1ccc(OCc2nc3ccccc3nc2C)cc1 ZINC000016265330 558782040 /nfs/dbraw/zinc/78/20/40/558782040.db2.gz CGFYZICFNNXIFX-UHFFFAOYSA-N 0 0 422.488 5.348 40 0 HKABRN Cc1nc2ccccc2nc1COc1cccc(OCc2nc3ccccc3nc2C)c1 ZINC000016265465 558781965 /nfs/dbraw/zinc/78/19/65/558781965.db2.gz PPZTZXWRDHQGSA-UHFFFAOYSA-N 0 0 422.488 5.348 40 0 HKABRN Cc1nc2ccccc2nc1COc1ccccc1OCc1nc2ccccc2nc1C ZINC000016265509 558782009 /nfs/dbraw/zinc/78/20/09/558782009.db2.gz WGQKSGRVYZHHPR-UHFFFAOYSA-N 0 0 422.488 5.348 40 0 HKABRN Cc1nn(-c2ccccc2)c2nc3c(c(C)nn3-c3ccccc3)c(-c3ccccc3)c12 ZINC000016266066 558782046 /nfs/dbraw/zinc/78/20/46/558782046.db2.gz FKSNKFAIIOZTON-UHFFFAOYSA-N 0 0 415.500 6.043 40 0 HKABRN Cc1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3c(-c3ccccc3)c12 ZINC000016266070 558781991 /nfs/dbraw/zinc/78/19/91/558781991.db2.gz BJBJZSAXPZFAEE-UHFFFAOYSA-N 0 0 404.300 6.856 40 0 HKABRN Cc1nn(-c2ccccc2)c2nc3ccc(C4CCCCC4)cc3c(-c3ccccc3)c12 ZINC000016266074 558782369 /nfs/dbraw/zinc/78/23/69/558782369.db2.gz MRRADBLHEBJDIZ-UHFFFAOYSA-N 0 0 417.556 7.597 40 0 HKABRN Cc1nn(-c2ccccc2)c2nc3ccc(Cl)cc3c(-c3ccc(Cl)cc3)c12 ZINC000016266077 558782308 /nfs/dbraw/zinc/78/23/08/558782308.db2.gz SFVZGEIHXBTNGU-UHFFFAOYSA-N 0 0 404.300 6.856 40 0 HKABRN Cc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2oc(=O)cc(-c3ccccc3)c12 ZINC000016266172 558782256 /nfs/dbraw/zinc/78/22/56/558782256.db2.gz RINJDXZBPWIITN-UHFFFAOYSA-N 0 0 405.668 5.914 40 0 HKABRN Cc1nn(-c2nc(-c3ccc(Br)cc3)cs2)c2nc3ccccc3nc12 ZINC000016266506 558782278 /nfs/dbraw/zinc/78/22/78/558782278.db2.gz UKNARMGASZCFMN-UHFFFAOYSA-N 0 0 422.311 5.163 40 0 HKABRN Cc1nn(-c2ccccc2)c2nc(-c3ccc(N(C)C)cc3)c3c(c12)CC(C)(C)CC3=O ZINC000016266547 558782358 /nfs/dbraw/zinc/78/23/58/558782358.db2.gz UXTQNFZIGUREAP-UHFFFAOYSA-N 0 0 424.548 5.617 40 0 HKABRN Cc1cc(Br)c(-c2nc3cc(C(C)C)ccc3o2)c(Br)c1N ZINC000016267676 559076241 /nfs/dbraw/zinc/07/62/41/559076241.db2.gz OEVWRIRRCNOIIV-UHFFFAOYSA-N 0 0 424.136 6.034 40 0 HKABRN Cc1cc(Br)c(-c2nc3cc(Cl)ccc3o2)c(Br)c1N ZINC000016267681 560859569 /nfs/dbraw/zinc/85/95/69/560859569.db2.gz CVHJYCMCIQCZRH-UHFFFAOYSA-N 0 0 416.500 5.564 40 0 HKABRN Cc1cc(-c2ccco2)c2c(N)c(C(=O)c3ccc(Br)cc3)sc2n1 ZINC000016268691 558782722 /nfs/dbraw/zinc/78/27/22/558782722.db2.gz FCEHIXZXWMBWOI-UHFFFAOYSA-N 0 0 413.296 5.440 40 0 HKABRN Cc1cc(Br)cc(Br)c1NC(=O)Nc1ccc(Cl)cc1 ZINC000016269474 558782928 /nfs/dbraw/zinc/78/29/28/558782928.db2.gz FJJAFLVGYVTJTO-UHFFFAOYSA-N 0 0 418.516 5.817 40 0 HKABRN Cc1cc(Br)cc(Br)c1NC(=O)Nc1cccc(Cl)c1 ZINC000016269482 558782910 /nfs/dbraw/zinc/78/29/10/558782910.db2.gz IYGIJJBDKZXEOC-UHFFFAOYSA-N 0 0 418.516 5.817 40 0 HKABRN Cc1cc(Br)cc(Br)c1NC(=S)Nc1ccccc1 ZINC000016269503 558782943 /nfs/dbraw/zinc/78/29/43/558782943.db2.gz MUMLSEOZLKIZST-UHFFFAOYSA-N 0 0 400.139 5.329 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Br)c(C)c1 ZINC000016282189 558783379 /nfs/dbraw/zinc/78/33/79/558783379.db2.gz VCWJUAZJDWKLSA-ZZXKWVIFSA-N 0 0 415.114 5.725 40 0 HKABRN Cc1cc(NC(=S)Nc2ccccc2)ccc1N1C(=O)c2cccc(Cl)c2C1=O ZINC000016282458 558783380 /nfs/dbraw/zinc/78/33/80/558783380.db2.gz QEWIJPVFJJQQOM-UHFFFAOYSA-N 0 0 421.909 5.258 40 0 HKABRN Cc1cc(NC(=S)NC(=O)c2ccccc2Cl)ccc1NC(=O)c1ccccc1 ZINC000016282690 558783427 /nfs/dbraw/zinc/78/34/27/558783427.db2.gz RGEMTMWJVZIHDN-UHFFFAOYSA-N 0 0 423.925 5.028 40 0 HKABRN Cc1cc2sc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)nc2cc1Cl ZINC000016284233 558783512 /nfs/dbraw/zinc/78/35/12/558783512.db2.gz FQGVZOURUQNUKU-QPJJXVBHSA-N 0 0 422.362 5.438 40 0 HKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(OC(C)C)cc3)nc2cc1Cl ZINC000016284291 558783561 /nfs/dbraw/zinc/78/35/61/558783561.db2.gz YCLOQHOOKFEKJX-UHFFFAOYSA-N 0 0 419.959 5.172 40 0 HKABRN Cc1cc2sc(NC(=S)NC(=O)c3cccc(OC(C)C)c3)nc2cc1Cl ZINC000016284313 558783465 /nfs/dbraw/zinc/78/34/65/558783465.db2.gz MOIOYIVXKPIDLC-UHFFFAOYSA-N 0 0 419.959 5.172 40 0 HKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)C(Cl)(Cl)Cl ZINC000016284351 558783493 /nfs/dbraw/zinc/78/34/93/558783493.db2.gz GMEKTGBTTUDSNV-UHFFFAOYSA-N 0 0 419.699 5.191 40 0 HKABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1cc2ccccc2o1 ZINC000016284410 558783804 /nfs/dbraw/zinc/78/38/04/558783804.db2.gz LLOZSRGCDPRLQG-UHFFFAOYSA-N 0 0 418.456 5.881 40 0 HKABRN Cc1ccc(C(=O)C[C@H](c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000016291769 558783866 /nfs/dbraw/zinc/78/38/66/558783866.db2.gz ORVRVMQUJSWWCP-RUZDIDTESA-N 0 0 418.968 5.785 40 0 HKABRN Cc1ccc(C(=O)C[C@@H](c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000016291771 558783889 /nfs/dbraw/zinc/78/38/89/558783889.db2.gz ORVRVMQUJSWWCP-VWLOTQADSA-N 0 0 418.968 5.785 40 0 HKABRN Cc1ccc(C(=O)C[C@@H](Sc2cccc(Cl)c2Cl)c2ccccc2)cc1 ZINC000016291844 558784217 /nfs/dbraw/zinc/78/42/17/558784217.db2.gz NVALJMKXIKSDFO-OAQYLSRUSA-N 0 0 401.358 7.408 40 0 HKABRN Cc1ccc(C(=O)C[C@H](Sc2cccc(Cl)c2Cl)c2ccccc2)cc1 ZINC000016291845 558784193 /nfs/dbraw/zinc/78/41/93/558784193.db2.gz NVALJMKXIKSDFO-NRFANRHFSA-N 0 0 401.358 7.408 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000016291961 560859878 /nfs/dbraw/zinc/85/98/78/560859878.db2.gz QQIADPCINCQFGE-UHFFFAOYSA-N 0 0 415.518 5.547 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(N(C(=O)c3ccc(C)cc3)c3ccccc3)cc2)cc1 ZINC000016292042 558784220 /nfs/dbraw/zinc/78/42/20/558784220.db2.gz DGYFFYBPJMVENC-UHFFFAOYSA-N 0 0 420.512 6.534 40 0 HKABRN Cc1ccc(C(=O)Nc2cccc(C(=O)OC(c3ccccc3)c3ccccc3)c2)cc1 ZINC000016292053 559078703 /nfs/dbraw/zinc/07/87/03/559078703.db2.gz CRQGZXCZKHNGND-UHFFFAOYSA-N 0 0 421.496 6.194 40 0 HKABRN Cc1nn(C)c(OC(=O)Nc2ccc(Cl)c(Cl)c2)c1C(=O)c1ccc(C)cc1 ZINC000016292086 558784205 /nfs/dbraw/zinc/78/42/05/558784205.db2.gz KRUVDTPEJJLHFT-UHFFFAOYSA-N 0 0 418.280 5.186 40 0 HKABRN COc1ccc(-c2c(C)nn3c2N=C(c2ccc(C)cc2)C[C@@H]3c2ccncc2)cc1 ZINC000016292196 558784157 /nfs/dbraw/zinc/78/41/57/558784157.db2.gz SIULNQTUBSDYNB-XMMPIXPASA-N 0 0 408.505 5.684 40 0 HKABRN COc1ccc(-c2c(C)nn3c2N=C(c2ccc(C)cc2)C[C@H]3c2ccncc2)cc1 ZINC000016292198 558784175 /nfs/dbraw/zinc/78/41/75/558784175.db2.gz SIULNQTUBSDYNB-DEOSSOPVSA-N 0 0 408.505 5.684 40 0 HKABRN Cc1ccc(N(Cc2nc3ccccc3nc2C)Cc2nc3ccccc3nc2C)cc1 ZINC000016292595 558784155 /nfs/dbraw/zinc/78/41/55/558784155.db2.gz NZSBGYFEPCEWRN-UHFFFAOYSA-N 0 0 419.532 5.705 40 0 HKABRN CC(=O)N(c1ccc(C)cc1)c1cccc2c1cccc2N(C(C)=O)c1ccc(C)cc1 ZINC000016292617 558784152 /nfs/dbraw/zinc/78/41/52/558784152.db2.gz DGYHZGBGRIMYDD-UHFFFAOYSA-N 0 0 422.528 6.826 40 0 HKABRN Cc1ccc(NC(=O)NC[C@@H]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1 ZINC000016293083 558784208 /nfs/dbraw/zinc/78/42/08/558784208.db2.gz ITFQPGCPEKCPMO-WOJBJXKFSA-N 0 0 408.546 5.053 40 0 HKABRN Cc1ccc(NC(=O)NC[C@@H]2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1 ZINC000016293087 558784222 /nfs/dbraw/zinc/78/42/22/558784222.db2.gz ITFQPGCPEKCPMO-BGYRXZFFSA-N 0 0 408.546 5.053 40 0 HKABRN Cc1ccc(NC(=O)NC[C@H]2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1 ZINC000016293088 558784172 /nfs/dbraw/zinc/78/41/72/558784172.db2.gz ITFQPGCPEKCPMO-PMACEKPBSA-N 0 0 408.546 5.053 40 0 HKABRN Cc1ccc(OCC(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1 ZINC000016293583 558784439 /nfs/dbraw/zinc/78/44/39/558784439.db2.gz NDPANJHUNOCVKV-UHFFFAOYSA-N 0 0 422.488 5.208 40 0 HKABRN Cc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1C ZINC000016311964 558785536 /nfs/dbraw/zinc/78/55/36/558785536.db2.gz DYZQFEUCMGXTKL-UHFFFAOYSA-N 0 0 406.489 5.751 40 0 HKABRN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C ZINC000016311970 560859896 /nfs/dbraw/zinc/85/98/96/560859896.db2.gz HXJLSWAVBUDGBJ-UHFFFAOYSA-N 0 0 400.522 6.106 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(Cl)ccc3Cl)o2)cc1Cl ZINC000016313038 560859991 /nfs/dbraw/zinc/85/99/91/560859991.db2.gz ZQZKRQHOIFEMQA-RMKNXTFCSA-N 0 0 406.696 6.867 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1Cl ZINC000016313068 560859973 /nfs/dbraw/zinc/85/99/73/560859973.db2.gz ADXUEGIHHYMMHJ-RMKNXTFCSA-N 0 0 406.696 6.867 40 0 HKABRN COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1Cl ZINC000016313074 560859998 /nfs/dbraw/zinc/85/99/98/560859998.db2.gz KTHIIECVNGXLGL-JXMROGBWSA-N 0 0 402.277 6.222 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Br)cc3)o2)cc1Cl ZINC000016313089 560860020 /nfs/dbraw/zinc/86/00/20/560860020.db2.gz MTGCLQUSRFKNEH-PKNBQFBNSA-N 0 0 416.702 6.323 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCCCC4)cc3)o2)cc1Cl ZINC000016313102 560859978 /nfs/dbraw/zinc/85/99/78/560859978.db2.gz KOFOGWJEVVPVJE-WYMLVPIESA-N 0 0 420.940 6.551 40 0 HKABRN CC(=O)Nc1ccc2nc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)sc2c1 ZINC000016321413 560859967 /nfs/dbraw/zinc/85/99/67/560859967.db2.gz KSSCQUYXJIPYHY-XVNBXDOJSA-N 0 0 406.294 5.213 40 0 HKABRN CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(C4CCCCC4)cc3)sc2c1 ZINC000016321417 558786165 /nfs/dbraw/zinc/78/61/65/558786165.db2.gz DOEVPVYWYDLYNK-UHFFFAOYSA-N 0 0 423.538 5.320 40 0 HKABRN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2c1 ZINC000016321441 560860009 /nfs/dbraw/zinc/86/00/09/560860009.db2.gz MTGQGKQYCCKKKT-UHFFFAOYSA-N 0 0 411.870 5.420 40 0 HKABRN CC(=O)c1ccc2c(c1)N(C(=S)Nc1ccc(Cl)cc1)c1ccccc1S2 ZINC000016321990 558786126 /nfs/dbraw/zinc/78/61/26/558786126.db2.gz AQWIYRTVMDZDJB-UHFFFAOYSA-N 0 0 410.951 6.542 40 0 HKABRN CC(C)(C)Cc1ccc(OCC(=O)Nc2ccc(Cl)c(N)c2)cc1CC(C)(C)C ZINC000016322834 558786430 /nfs/dbraw/zinc/78/64/30/558786430.db2.gz RFDBBZMPSWJKJQ-UHFFFAOYSA-N 0 0 416.993 6.117 40 0 HKABRN COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1cccs1 ZINC000016323122 558786406 /nfs/dbraw/zinc/78/64/06/558786406.db2.gz YBJIMGROKQITLU-UHFFFAOYSA-N 0 0 408.523 5.559 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)C(Cl)(Cl)Cl)c2)cc1 ZINC000016323138 560859959 /nfs/dbraw/zinc/85/99/59/560859959.db2.gz DCMJMEVHRQCLSQ-UHFFFAOYSA-N 0 0 413.732 5.545 40 0 HKABRN COc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000016323164 560860022 /nfs/dbraw/zinc/86/00/22/560860022.db2.gz XYHOAADOSTXAKS-UHFFFAOYSA-N 0 0 402.494 5.497 40 0 HKABRN CC(C)(C)c1ccc([C@@H]2CC(=O)c3cnc(NC(=O)Nc4ccccc4)nc3C2)cc1 ZINC000016323191 558786404 /nfs/dbraw/zinc/78/64/04/558786404.db2.gz JKLORFCZLOOCGG-KRWDZBQOSA-N 0 0 414.509 5.331 40 0 HKABRN CC(C)(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)Nc4ccccc4)nc3C2)cc1 ZINC000016323193 558786385 /nfs/dbraw/zinc/78/63/85/558786385.db2.gz JKLORFCZLOOCGG-QGZVFWFLSA-N 0 0 414.509 5.331 40 0 HKABRN CC(C)(C)c1ccc(COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)cc1 ZINC000016323216 559078696 /nfs/dbraw/zinc/07/86/96/559078696.db2.gz RPMSVUMJKUKXQA-VXKWHMMOSA-N 0 0 419.521 5.021 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCOCC4)cc3)o2)cc1Cl ZINC000016346627 560859995 /nfs/dbraw/zinc/85/99/95/560859995.db2.gz YUPPNPSVZPWPPG-PKNBQFBNSA-N 0 0 422.912 5.397 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Cl)cc3Cl)o2)cc1Cl ZINC000016346682 560860007 /nfs/dbraw/zinc/86/00/07/560860007.db2.gz JHSYAHZLCKSQJL-RMKNXTFCSA-N 0 0 406.696 6.867 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Br)cn3)o2)cc1Cl ZINC000016346693 560859947 /nfs/dbraw/zinc/85/99/47/560859947.db2.gz XRHPBICWLGVLSJ-RMKNXTFCSA-N 0 0 417.690 5.718 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1Cl ZINC000016346752 560860015 /nfs/dbraw/zinc/86/00/15/560860015.db2.gz ZFFBDBXATBPTEF-CSKARUKUSA-N 0 0 405.803 6.579 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc(-c4ccccc4)cs3)o2)cc1Cl ZINC000016346833 560860024 /nfs/dbraw/zinc/86/00/24/560860024.db2.gz RGKSTCQCCCGNKE-ZRDIBKRKSA-N 0 0 420.921 6.684 40 0 HKABRN Cc1cc2sc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)nc2c(C)c1 ZINC000016346836 560859975 /nfs/dbraw/zinc/85/99/75/560859975.db2.gz OIZVJWXYWGVYNT-VQHVLOKHSA-N 0 0 422.937 6.787 40 0 HKABRN COc1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)sc2c1 ZINC000016346838 560859985 /nfs/dbraw/zinc/85/99/85/560859985.db2.gz KTOFIEAPLPZOJL-JXMROGBWSA-N 0 0 424.909 6.179 40 0 HKABRN Cc1ccc(NC(=O)OCCc2ccccc2)cc1NC(=O)OCCc1ccccc1 ZINC000016347529 558787353 /nfs/dbraw/zinc/78/73/53/558787353.db2.gz NOPBFIGBHDYXIR-UHFFFAOYSA-N 0 0 418.493 5.577 40 0 HKABRN Cc1ccc(NC(=O)OCc2cccs2)cc1NC(=O)OCc1cccs1 ZINC000016347566 558787331 /nfs/dbraw/zinc/78/73/31/558787331.db2.gz YZUKJICTJMXIQN-UHFFFAOYSA-N 0 0 402.497 5.615 40 0 HKABRN Cc1ccc(NC(=O)SCc2ccccc2)cc1NC(=O)SCc1ccccc1 ZINC000016347569 558787384 /nfs/dbraw/zinc/78/73/84/558787384.db2.gz WINKGBPYZOAHGZ-UHFFFAOYSA-N 0 0 422.575 6.926 40 0 HKABRN COc1ccc2ccccc2c1C(=O)Nc1cc(-c2nc3cccnc3o2)ccc1C ZINC000016347576 558787281 /nfs/dbraw/zinc/78/72/81/558787281.db2.gz AZRZNQQKGZYEIW-UHFFFAOYSA-N 0 0 409.445 5.612 40 0 HKABRN CSc1ccc(/C=C2/SC(=O)N(CNc3cc(Cl)ccc3C)C2=O)cc1 ZINC000016347715 558787335 /nfs/dbraw/zinc/78/73/35/558787335.db2.gz AGLVOIZGOPNYKI-RQZCQDPDSA-N 0 0 404.944 5.476 40 0 HKABRN Cc1ccc2c(c1)S[C@H](CC(=O)c1ccc(I)cc1)S2 ZINC000016348189 558787560 /nfs/dbraw/zinc/78/75/60/558787560.db2.gz QRZBNZCREMLXOR-MRXNPFEDSA-N 0 0 412.317 5.397 40 0 HKABRN Cc1ccc2c(c1)S[C@@H](CC(=O)c1ccc(I)cc1)S2 ZINC000016348192 558787469 /nfs/dbraw/zinc/78/74/69/558787469.db2.gz QRZBNZCREMLXOR-INIZCTEOSA-N 0 0 412.317 5.397 40 0 HKABRN Cc1ccc2nc(-c3ccc(CNC(=O)CSc4ccc(Cl)cc4)cc3)oc2c1 ZINC000016348597 560859954 /nfs/dbraw/zinc/85/99/54/560859954.db2.gz HXJKAAOEWMHJDA-UHFFFAOYSA-N 0 0 422.937 5.865 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1Cl ZINC000016348616 560860026 /nfs/dbraw/zinc/86/00/26/560860026.db2.gz ALJQAZXOLQLGSO-UHFFFAOYSA-N 0 0 406.869 5.395 40 0 HKABRN Cc1ccc2nc(-c3ccc(CNC(=O)c4ccc(Br)o4)cc3)oc2c1 ZINC000016348622 560860091 /nfs/dbraw/zinc/86/00/91/560860091.db2.gz GJWYVVNTARELTL-UHFFFAOYSA-N 0 0 411.255 5.089 40 0 HKABRN Cc1ccc2nc(-c3ccc(CNC(=O)c4cccc(OC(C)C)c4)cc3)oc2c1 ZINC000016348655 560860080 /nfs/dbraw/zinc/86/00/80/560860080.db2.gz VEGPJIAJLJGYNQ-UHFFFAOYSA-N 0 0 400.478 5.520 40 0 HKABRN Cc1cccc(OCC(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)c1 ZINC000016349822 558787671 /nfs/dbraw/zinc/78/76/71/558787671.db2.gz OWSHZNJOZRVRNN-UHFFFAOYSA-N 0 0 422.488 5.208 40 0 HKABRN Cc1cccc(NCN2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)c1C ZINC000016362130 558787949 /nfs/dbraw/zinc/78/79/49/558787949.db2.gz WXVLJMVSUJSXSX-LICLKQGHSA-N 0 0 417.328 5.172 40 0 HKABRN COc1c(C)cccc1C(=O)Nc1cc2nn(-c3cccc4ccccc43)nc2cc1C ZINC000016362362 558788131 /nfs/dbraw/zinc/78/81/31/558788131.db2.gz VKZZLILFAMGXIS-UHFFFAOYSA-N 0 0 422.488 5.451 40 0 HKABRN Cc1cccc2nc(CSc3cc(C(F)(F)F)c4cc5c(cc4n3)OCO5)cn21 ZINC000016362504 558788140 /nfs/dbraw/zinc/78/81/40/558788140.db2.gz LGIMGPNNIHXGJT-UHFFFAOYSA-N 0 0 417.412 5.231 40 0 HKABRN Cc1ccccc1OCC(=O)Nc1cc2nn(-c3cccc4ccccc43)nc2cc1C ZINC000016363024 558788136 /nfs/dbraw/zinc/78/81/36/558788136.db2.gz OCAFWQOPBJNDHZ-UHFFFAOYSA-N 0 0 422.488 5.208 40 0 HKABRN O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1c(Cl)cc(Cl)cc1Cl ZINC000016383678 560660420 /nfs/dbraw/zinc/66/04/20/560660420.db2.gz TZJZJEDMVRSADT-UHFFFAOYSA-N 0 0 412.487 5.916 40 0 HKABRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cccc(Cl)c1Cl ZINC000016383849 560860074 /nfs/dbraw/zinc/86/00/74/560860074.db2.gz PULOVQUNJHQOPY-UHFFFAOYSA-N 0 0 416.742 5.383 40 0 HKABRN O=C(Nc1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1)c1cccc(Cl)c1Cl ZINC000016383862 558789029 /nfs/dbraw/zinc/78/90/29/558789029.db2.gz GYVOUMBALSYUGK-UHFFFAOYSA-N 0 0 416.695 6.442 40 0 HKABRN O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000016383938 560860097 /nfs/dbraw/zinc/86/00/97/560860097.db2.gz ZKUXUXJHHCAANN-RMKNXTFCSA-N 0 0 414.248 5.075 40 0 HKABRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(Cl)c(Cl)c1 ZINC000016384520 560860093 /nfs/dbraw/zinc/86/00/93/560860093.db2.gz KXPJMZBNDXRLNY-UHFFFAOYSA-N 0 0 416.742 5.383 40 0 HKABRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(Cl)cc1Cl ZINC000016384921 560860108 /nfs/dbraw/zinc/86/01/08/560860108.db2.gz HEKHRBIQAHMNJM-UHFFFAOYSA-N 0 0 416.742 5.383 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(Cl)cc1Cl ZINC000016385076 558789193 /nfs/dbraw/zinc/78/91/93/558789193.db2.gz FFYSWXYWMMGHIX-UHFFFAOYSA-N 0 0 417.136 6.675 40 0 HKABRN O=C(Nc1nc2cc(Cl)ccc2s1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000016385980 560860105 /nfs/dbraw/zinc/86/01/05/560860105.db2.gz XVKQRCBGMDOOQN-UHFFFAOYSA-N 0 0 423.708 6.769 40 0 HKABRN CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OC ZINC000016389991 560843853 /nfs/dbraw/zinc/84/38/53/560843853.db2.gz UQCDDVKDQKFCHL-VGOFMYFVSA-N 0 0 405.281 5.255 40 0 HKABRN CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC ZINC000016389995 560843910 /nfs/dbraw/zinc/84/39/10/560843910.db2.gz CVQHTUBGWYFDSR-VGOFMYFVSA-N 0 0 405.281 5.255 40 0 HKABRN O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1CNc1ccc(Cl)c(Cl)c1 ZINC000016400169 558789716 /nfs/dbraw/zinc/78/97/16/558789716.db2.gz JXAHIJYSNJRRNS-VIZOYTHASA-N 0 0 413.713 5.753 40 0 HKABRN O=C(Sc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)c1ccc(Cl)cc1 ZINC000016401128 558789977 /nfs/dbraw/zinc/78/99/77/558789977.db2.gz ZSGQNGGYHJBQFA-UHFFFAOYSA-N 0 0 411.788 5.568 40 0 HKABRN OC(COc1ccc(Br)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000016401165 558789927 /nfs/dbraw/zinc/78/99/27/558789927.db2.gz FPKDLPYELVWBMW-UHFFFAOYSA-N 0 0 405.238 5.042 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000016401196 558789958 /nfs/dbraw/zinc/78/99/58/558789958.db2.gz NAYSXKJQSACTIK-UHFFFAOYSA-N 0 0 406.696 6.985 40 0 HKABRN Fc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2cc(Cl)ccc2Cl)cc1 ZINC000016401256 558789973 /nfs/dbraw/zinc/78/99/73/558789973.db2.gz KFXMKTPUXYHZHD-FQEVSTJZSA-N 0 0 419.714 7.142 40 0 HKABRN Fc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2cc(Cl)ccc2Cl)cc1 ZINC000016401258 558789914 /nfs/dbraw/zinc/78/99/14/558789914.db2.gz KFXMKTPUXYHZHD-HXUWFJFHSA-N 0 0 419.714 7.142 40 0 HKABRN O=C([O-])c1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000016401600 558790093 /nfs/dbraw/zinc/79/00/93/558790093.db2.gz ZSUFIJPDIDJBSY-UHFFFAOYSA-N 0 0 416.304 5.560 40 0 HKABRN O=C([O-])c1ccc(C[NH2+]Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000016401628 558790205 /nfs/dbraw/zinc/79/02/05/558790205.db2.gz WXIRQTRVUFDEEQ-UHFFFAOYSA-N 0 0 416.304 5.560 40 0 HKABRN O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000016401950 560860571 /nfs/dbraw/zinc/86/05/71/560860571.db2.gz GEMXZAHICPARAR-UHFFFAOYSA-N 0 0 416.333 5.106 40 0 HKABRN CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc32)cc1OC ZINC000016412221 569345136 /nfs/dbraw/zinc/34/51/36/569345136.db2.gz YNAKQLNXCXQXFP-GZTJUZNOSA-N 0 0 406.869 5.446 40 0 HKABRN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000016429455 558791160 /nfs/dbraw/zinc/79/11/60/558791160.db2.gz MTHOPJQUXNEFJZ-YVLHZVERSA-N 0 0 418.663 6.251 40 0 HKABRN O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nc1nc2c(s1)CCCC2 ZINC000016429664 558791152 /nfs/dbraw/zinc/79/11/52/558791152.db2.gz DATUKWVUCZCLRC-UHFFFAOYSA-N 0 0 422.000 5.530 40 0 HKABRN O=C(Nc1ccc(Sc2ccc(NC(=O)c3ccco3)cc2)cc1)c1ccco1 ZINC000016430201 558791116 /nfs/dbraw/zinc/79/11/16/558791116.db2.gz LRZXPQUNTRNABB-UHFFFAOYSA-N 0 0 404.447 5.528 40 0 HKABRN Nc1c2cc(-c3cccs3)c(=O)[nH]c2sc1C(=O)c1ccc(Cl)cc1Cl ZINC000016430723 558791193 /nfs/dbraw/zinc/79/11/93/558791193.db2.gz WMZURMAGJNMCHD-UHFFFAOYSA-N 0 0 421.330 5.438 40 0 HKABRN Clc1ccc2c(c1)N=c1c(Cl)c3c(c(Cl)c1O2)=Nc1cc(Cl)ccc1O3 ZINC000016431146 558791206 /nfs/dbraw/zinc/79/12/06/558791206.db2.gz PVPBMJGZJGBHPL-UHFFFAOYSA-N 0 0 424.070 6.414 40 0 HKABRN O=C(Nc1nc2cc(Cl)ccc2s1)c1sc2cc(Cl)ccc2c1Cl ZINC000016431197 560860524 /nfs/dbraw/zinc/86/05/24/560860524.db2.gz MMODPGBKFBIKMP-UHFFFAOYSA-N 0 0 413.738 6.724 40 0 HKABRN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000016431203 560860521 /nfs/dbraw/zinc/86/05/21/560860521.db2.gz PEBDWYUUOWGPPL-UHFFFAOYSA-N 0 0 423.708 6.769 40 0 HKABRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cc(Cl)ccc1Cl ZINC000016431216 560860565 /nfs/dbraw/zinc/86/05/65/560860565.db2.gz LEMMCUCKROOWHP-UHFFFAOYSA-N 0 0 416.742 5.383 40 0 HKABRN O=C(CCC1CCCC1)Nc1cccc2c(NC(=O)CCC3CCCC3)cccc12 ZINC000016431578 558791487 /nfs/dbraw/zinc/79/14/87/558791487.db2.gz BGASORRMNWRESL-UHFFFAOYSA-N 0 0 406.570 6.658 40 0 HKABRN O=C(COc1ccc(Cl)cc1)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000016431619 558791349 /nfs/dbraw/zinc/79/13/49/558791349.db2.gz VMTWTIIKXRSWGL-UHFFFAOYSA-N 0 0 414.248 5.214 40 0 HKABRN O=C(OCc1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc2c3c(cccc31)CC2 ZINC000016431661 558791408 /nfs/dbraw/zinc/79/14/08/558791408.db2.gz DZZWPOGIJSVLJV-UHFFFAOYSA-N 0 0 423.295 6.862 40 0 HKABRN Oc1cccc2ccc(/C=C/c3ccc(/C=C/c4ccc5cccc(O)c5n4)cc3)nc12 ZINC000016431674 558791482 /nfs/dbraw/zinc/79/14/82/558791482.db2.gz RWXKQHRDJZHBCD-JOBJLJCHSA-N 0 0 416.480 6.535 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000016449428 558791926 /nfs/dbraw/zinc/79/19/26/558791926.db2.gz ZPJHQVOKZGUKSJ-UHFFFAOYSA-N 0 0 419.695 6.522 40 0 HKABRN Clc1ccc(COc2ccc(Cl)cc2CNCc2ccccc2Cl)cc1 ZINC000016449707 558792177 /nfs/dbraw/zinc/79/21/77/558792177.db2.gz HGQZBOHDWAUGAP-UHFFFAOYSA-N 0 0 406.740 6.516 40 0 HKABRN Clc1ccc(OCc2ccccc2Cl)c(CNCc2ccccc2Cl)c1 ZINC000016449717 558792245 /nfs/dbraw/zinc/79/22/45/558792245.db2.gz FHGBXCGUOPDERW-UHFFFAOYSA-N 0 0 406.740 6.516 40 0 HKABRN Clc1ccc(COc2ccccc2CNCc2ccccc2Cl)c(Cl)c1 ZINC000016449780 558792197 /nfs/dbraw/zinc/79/21/97/558792197.db2.gz YNESZGMIGVIIEL-UHFFFAOYSA-N 0 0 406.740 6.516 40 0 HKABRN O=C([O-])c1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 ZINC000016450007 558792261 /nfs/dbraw/zinc/79/22/61/558792261.db2.gz LNRUTDWWNCFDGR-UHFFFAOYSA-N 0 0 416.304 5.560 40 0 HKABRN O=C(CSc1nc2c(c(-c3cccs3)n1)CCCC2)Nc1ccccc1Cl ZINC000016450342 558792388 /nfs/dbraw/zinc/79/23/88/558792388.db2.gz BUTCXRJACAXFBU-UHFFFAOYSA-N 0 0 415.971 5.468 40 0 HKABRN S=C(/C(=C/N1CCOCC1)c1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000016450705 558792496 /nfs/dbraw/zinc/79/24/96/558792496.db2.gz YFSRCWVWSNKSEK-HIXSDJFHSA-N 0 0 400.547 5.525 40 0 HKABRN O=C1[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000016451203 558792483 /nfs/dbraw/zinc/79/24/83/558792483.db2.gz VXKOXQSDVLPQFM-DDOAZUFRSA-N 0 0 421.471 5.249 40 0 HKABRN O=C(C[C@@H](Sc1cccc(Cl)c1Cl)c1ccc(Cl)cc1)c1ccccc1 ZINC000016476531 558793375 /nfs/dbraw/zinc/79/33/75/558793375.db2.gz VRTJZZDOIVASRO-HXUWFJFHSA-N 0 0 421.776 7.753 40 0 HKABRN O=C(C[C@H](Sc1cccc(Cl)c1Cl)c1ccc(Cl)cc1)c1ccccc1 ZINC000016476534 558793302 /nfs/dbraw/zinc/79/33/02/558793302.db2.gz VRTJZZDOIVASRO-FQEVSTJZSA-N 0 0 421.776 7.753 40 0 HKABRN O=C(NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccccc1 ZINC000016476693 558793315 /nfs/dbraw/zinc/79/33/15/558793315.db2.gz GJELUKRGHGGCAG-UHFFFAOYSA-N 0 0 423.950 5.744 40 0 HKABRN O=C(c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)s1)c1ccccc1 ZINC000016477016 569053576 /nfs/dbraw/zinc/05/35/76/569053576.db2.gz SLJVGQHKBIIOLY-UHFFFAOYSA-N 0 0 405.522 7.602 40 0 HKABRN O=C(C[C@@H](Sc1cccc(Cl)c1Cl)c1ccccc1)c1ccc(Cl)cc1 ZINC000016477290 558793574 /nfs/dbraw/zinc/79/35/74/558793574.db2.gz FMJXNDRAWJOESZ-HXUWFJFHSA-N 0 0 421.776 7.753 40 0 HKABRN O=C(C[C@H](Sc1cccc(Cl)c1Cl)c1ccccc1)c1ccc(Cl)cc1 ZINC000016477293 558793543 /nfs/dbraw/zinc/79/35/43/558793543.db2.gz FMJXNDRAWJOESZ-FQEVSTJZSA-N 0 0 421.776 7.753 40 0 HKABRN O=C(C[C@@H](Sc1cccc(Cl)c1Cl)c1ccccc1)c1ccc(F)cc1 ZINC000016477298 558793603 /nfs/dbraw/zinc/79/36/03/558793603.db2.gz XEQIDXYGZDLHQO-HXUWFJFHSA-N 0 0 405.321 7.239 40 0 HKABRN O=C(C[C@H](Sc1cccc(Cl)c1Cl)c1ccccc1)c1ccc(F)cc1 ZINC000016477301 558793631 /nfs/dbraw/zinc/79/36/31/558793631.db2.gz XEQIDXYGZDLHQO-FQEVSTJZSA-N 0 0 405.321 7.239 40 0 HKABRN Fc1ccccc1[C@@H]1N=C2SC(c3ccccc3)=NN2C(=S)N1c1ccccc1 ZINC000016478061 558793853 /nfs/dbraw/zinc/79/38/53/558793853.db2.gz PNUMYWSNYRQFDS-LJQANCHMSA-N 0 0 418.522 5.396 40 0 HKABRN Fc1ccccc1[C@H]1N=C2SC(c3ccccc3)=NN2C(=S)N1c1ccccc1 ZINC000016478064 558793844 /nfs/dbraw/zinc/79/38/44/558793844.db2.gz PNUMYWSNYRQFDS-IBGZPJMESA-N 0 0 418.522 5.396 40 0 HKABRN c1ccc(C2=NO[C@@]3(O2)SC(c2ccccc2)(c2ccccc2)c2ccccc23)cc1 ZINC000016478082 558793855 /nfs/dbraw/zinc/79/38/55/558793855.db2.gz JLWWHWKRXSSGHU-HHHXNRCGSA-N 0 0 421.521 6.244 40 0 HKABRN c1ccc(C2=NO[C@]3(O2)SC(c2ccccc2)(c2ccccc2)c2ccccc23)cc1 ZINC000016478085 558793833 /nfs/dbraw/zinc/79/38/33/558793833.db2.gz JLWWHWKRXSSGHU-MHZLTWQESA-N 0 0 421.521 6.244 40 0 HKABRN c1ccc(C2=NO[C@]3(OC(c4ccccc4)(c4ccccc4)c4ccccc43)S2)cc1 ZINC000016478088 558793841 /nfs/dbraw/zinc/79/38/41/558793841.db2.gz FDXLYWZEOSFYHZ-MHZLTWQESA-N 0 0 421.521 6.244 40 0 HKABRN c1ccc(C2=NO[C@@]3(OC(c4ccccc4)(c4ccccc4)c4ccccc43)S2)cc1 ZINC000016478091 558793824 /nfs/dbraw/zinc/79/38/24/558793824.db2.gz FDXLYWZEOSFYHZ-HHHXNRCGSA-N 0 0 421.521 6.244 40 0 HKABRN Clc1ccccc1CNCc1cc(Br)ccc1OCc1ccccc1 ZINC000016480573 558794057 /nfs/dbraw/zinc/79/40/57/558794057.db2.gz YLTNZFSCYOQGCP-UHFFFAOYSA-N 0 0 416.746 5.971 40 0 HKABRN O=[N+]([O-])C(=C(Cl)C(Cl)Cl)C(=Nc1ccccc1)SCc1ccccc1 ZINC000016480827 569326708 /nfs/dbraw/zinc/32/67/08/569326708.db2.gz BKACIYIXRUHGTK-ICFOKQHNSA-N 0 0 415.729 6.363 40 0 HKABRN c1csc(N(c2ccccc2)c2ccc(N(c3cccs3)c3ccccc3)cc2)c1 ZINC000016487829 558794116 /nfs/dbraw/zinc/79/41/16/558794116.db2.gz PRUGAZKIFBXQIP-UHFFFAOYSA-N 0 0 424.594 8.749 40 0 HKABRN S=C(Nc1ccc(Cl)cc1Cl)N(c1ccccc1)c1cccc(Cl)c1 ZINC000016487928 558794401 /nfs/dbraw/zinc/79/44/01/558794401.db2.gz SJHGQENPTILMQN-UHFFFAOYSA-N 0 0 407.753 7.182 40 0 HKABRN c1cc(N(c2ccccc2)c2ccccc2)sc1N(c1ccccc1)c1ccccc1 ZINC000016488058 558794358 /nfs/dbraw/zinc/79/43/58/558794358.db2.gz GCHWYAKNSHWLNJ-UHFFFAOYSA-N 0 0 418.565 8.688 40 0 HKABRN O=C(Nc1ccccc1)Nc1ccc(N(C(=O)Nc2ccccc2)c2ccccc2)cc1 ZINC000016489616 558794449 /nfs/dbraw/zinc/79/44/49/558794449.db2.gz JRQLAADQTKBMCG-UHFFFAOYSA-N 0 0 422.488 6.701 40 0 HKABRN O=C(Nc1ccccc1)Nc1ccccc1N(C(=O)Nc1ccccc1)c1ccccc1 ZINC000016489660 558794419 /nfs/dbraw/zinc/79/44/19/558794419.db2.gz KMSVMMYPCIMABV-UHFFFAOYSA-N 0 0 422.488 6.701 40 0 HKABRN FC(F)(F)c1ccc2c(c1)N(C(=S)Nc1ccccc1)c1ccccc1S2 ZINC000016489842 558794349 /nfs/dbraw/zinc/79/43/49/558794349.db2.gz GRWPDLRDLGMUIR-UHFFFAOYSA-N 0 0 402.466 6.705 40 0 HKABRN O=S(=O)(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccccc1 ZINC000016491536 558794599 /nfs/dbraw/zinc/79/45/99/558794599.db2.gz DKRWLAMVDOFVOR-UHFFFAOYSA-N 0 0 419.289 5.602 40 0 HKABRN O=C(c1noc(-c2ccccc2)c1S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000016491794 558794781 /nfs/dbraw/zinc/79/47/81/558794781.db2.gz MCTZZYHCCJCVCP-UHFFFAOYSA-N 0 0 423.877 5.059 40 0 HKABRN Clc1cc2c(cc1CSc1nc(-c3ccccc3)c(-c3ccccc3)[nH]1)OCO2 ZINC000016491941 558794801 /nfs/dbraw/zinc/79/48/01/558794801.db2.gz PPAOKFRDMAIUDI-UHFFFAOYSA-N 0 0 420.921 6.418 40 0 HKABRN Clc1cc2c(cc1CSc1nc(-c3ccccc3)c(-c3ccccc3)o1)OCO2 ZINC000016492230 558794788 /nfs/dbraw/zinc/79/47/88/558794788.db2.gz KNZMGASPCIXBRG-UHFFFAOYSA-N 0 0 421.905 6.683 40 0 HKABRN Clc1ccc2nc(-c3ccccc3)c(Sc3ccccc3)c(-c3ccccc3)c2c1 ZINC000016492449 558794749 /nfs/dbraw/zinc/79/47/49/558794749.db2.gz PJSFJLCACRIKNF-UHFFFAOYSA-N 0 0 423.968 8.373 40 0 HKABRN Clc1ccc2nc(SCc3cn4cccnc4n3)nc(-c3ccccc3)c2c1 ZINC000016492485 558794779 /nfs/dbraw/zinc/79/47/79/558794779.db2.gz AAFHYOHFYKMKQF-UHFFFAOYSA-N 0 0 403.898 5.285 40 0 HKABRN O=C(c1ccc(Br)cc1)c1cnc2cc(Cl)ccc2c1-c1ccccc1 ZINC000016492501 558794773 /nfs/dbraw/zinc/79/47/73/558794773.db2.gz XVQVBALQRVJHNU-UHFFFAOYSA-N 0 0 422.709 6.549 40 0 HKABRN O=S(=O)(c1ccccc1)c1c(-c2ccccc2)nc2ccccc2c1-c1ccccc1 ZINC000016492509 558794780 /nfs/dbraw/zinc/79/47/80/558794780.db2.gz OMYZIQJYVRPGIS-UHFFFAOYSA-N 0 0 421.521 6.402 40 0 HKABRN O=C(CSc1nc2ccccc2c(-c2ccccc2)n1)c1cc2ccccc2oc1=O ZINC000016492539 558794784 /nfs/dbraw/zinc/79/47/84/558794784.db2.gz UJQBJXBHIPVSKA-UHFFFAOYSA-N 0 0 424.481 5.378 40 0 HKABRN O=C(NC(=S)N(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000016493046 558794789 /nfs/dbraw/zinc/79/47/89/558794789.db2.gz RHVBLXKJHKVBJS-UHFFFAOYSA-N 0 0 408.526 6.207 40 0 HKABRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2ccccc2)cc1 ZINC000016493093 560860989 /nfs/dbraw/zinc/86/09/89/560860989.db2.gz MPRMTWBGYHMGAW-UHFFFAOYSA-N 0 0 423.950 5.744 40 0 HKABRN O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CNc1ccc(-c2ccccc2)cc1 ZINC000016493175 527103213 /nfs/dbraw/zinc/10/32/13/527103213.db2.gz IWKXUFZCYPDVTN-KGENOOAVSA-N 0 0 420.921 6.113 40 0 HKABRN Clc1cc2c(cc1CSc1nnc(-c3ccco3)n1-c1ccccc1)OCO2 ZINC000016523739 558795056 /nfs/dbraw/zinc/79/50/56/558795056.db2.gz BYNCPDYRBNKHBF-UHFFFAOYSA-N 0 0 411.870 5.202 40 0 HKABRN Clc1cc2c(cc1CSc1nnc(-c3ccncc3)n1-c1ccccc1)OCO2 ZINC000016523740 569046314 /nfs/dbraw/zinc/04/63/14/569046314.db2.gz XFAYKEJTXGXNCS-UHFFFAOYSA-N 0 0 422.897 5.004 40 0 HKABRN O=C1N[C@@H](Nc2cccc(Cl)c2Cl)S/C1=C/c1cccn1-c1ccccc1 ZINC000016524000 558795034 /nfs/dbraw/zinc/79/50/34/558795034.db2.gz DAZXSKMLLUKLGS-KEWOFRHOSA-N 0 0 416.333 5.384 40 0 HKABRN O=C1N[C@H](Nc2cccc(Cl)c2Cl)S/C1=C/c1cccn1-c1ccccc1 ZINC000016524002 558795050 /nfs/dbraw/zinc/79/50/50/558795050.db2.gz DAZXSKMLLUKLGS-KZFLWGQDSA-N 0 0 416.333 5.384 40 0 HKABRN Fc1ccc(-n2nc3c(c2-c2ccc(Cl)c(Cl)c2)-c2ccccc2CC3)cc1 ZINC000016524033 558795212 /nfs/dbraw/zinc/79/52/12/558795212.db2.gz FMQRFKKZYUJRGF-UHFFFAOYSA-N 0 0 409.291 6.751 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000016524883 558795193 /nfs/dbraw/zinc/79/51/93/558795193.db2.gz YTSJVJMMFYZIPT-UHFFFAOYSA-N 0 0 420.843 7.194 40 0 HKABRN O=C(Nc1cccc(Cl)c1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000016524885 558795214 /nfs/dbraw/zinc/79/52/14/558795214.db2.gz OPOLJESQDHJFBC-UHFFFAOYSA-N 0 0 420.843 7.194 40 0 HKABRN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cccc(Cl)c1Cl ZINC000016525127 558795283 /nfs/dbraw/zinc/79/52/83/558795283.db2.gz HJDWSKSQFAYVMG-UHFFFAOYSA-N 0 0 416.695 6.442 40 0 HKABRN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1cc2ccccc2oc1=O ZINC000016525600 558795302 /nfs/dbraw/zinc/79/53/02/558795302.db2.gz DINYGNZWFJRYGL-UHFFFAOYSA-N 0 0 416.820 5.507 40 0 HKABRN O=c1oc2ccccc2cc1-c1csc(SCc2ccc(O)c3ncccc23)n1 ZINC000016525690 558795290 /nfs/dbraw/zinc/79/52/90/558795290.db2.gz MMUWMTPBOFBEKD-UHFFFAOYSA-N 0 0 418.499 5.463 40 0 HKABRN O=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1cc2ccccc2o1 ZINC000016525735 558795304 /nfs/dbraw/zinc/79/53/04/558795304.db2.gz RZYTWPPYBYTSGN-UHFFFAOYSA-N 0 0 423.255 6.800 40 0 HKABRN O=C([O-])c1ccc(C[NH2+]Cc2c(OCc3ccc(F)cc3)ccc3ccccc32)cc1 ZINC000016525966 558795456 /nfs/dbraw/zinc/79/54/56/558795456.db2.gz BSKKMIQOZCCOCA-UHFFFAOYSA-N 0 0 415.464 5.546 40 0 HKABRN O=C([O-])c1ccc(C[NH2+]Cc2c(OCc3ccccc3F)ccc3ccccc32)cc1 ZINC000016525972 558795488 /nfs/dbraw/zinc/79/54/88/558795488.db2.gz GSWCFKLAEVPQSC-UHFFFAOYSA-N 0 0 415.464 5.546 40 0 HKABRN FC(F)(F)c1cccc(NC(=S)Nc2nc3c(ccc4ccccc34)s2)c1 ZINC000016526152 558795432 /nfs/dbraw/zinc/79/54/32/558795432.db2.gz NFSKQPIBGRAGHK-UHFFFAOYSA-N 0 0 403.454 6.277 40 0 HKABRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc2ccccc21 ZINC000016526252 558795391 /nfs/dbraw/zinc/79/53/91/558795391.db2.gz LTQFTMDBVOCHEV-UHFFFAOYSA-N 0 0 422.513 5.510 40 0 HKABRN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc2ccccc21 ZINC000016526259 558795406 /nfs/dbraw/zinc/79/54/06/558795406.db2.gz OEXIVFKDGDFRDL-UHFFFAOYSA-N 0 0 422.513 5.510 40 0 HKABRN O=C(CSc1nc2ccccc2[nH]c1=O)N1c2ccccc2Sc2ccccc21 ZINC000016545189 558795556 /nfs/dbraw/zinc/79/55/56/558795556.db2.gz OCDSMTNOWVMXJN-UHFFFAOYSA-N 0 0 417.515 5.257 40 0 HKABRN Nc1c(Br)cc(Cl)c(-c2nc3ccccc3s2)c1Br ZINC000016545480 560637023 /nfs/dbraw/zinc/63/70/23/560637023.db2.gz WYGRLENBLUSLRM-UHFFFAOYSA-N 0 0 418.541 5.724 40 0 HKABRN O=C(CSc1cnc2ccccc2n1)N1c2ccccc2Sc2ccccc21 ZINC000016545589 558795608 /nfs/dbraw/zinc/79/56/08/558795608.db2.gz RKTJPWMKEAQQHT-UHFFFAOYSA-N 0 0 401.516 5.551 40 0 HKABRN O=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000016545827 560860983 /nfs/dbraw/zinc/86/09/83/560860983.db2.gz RFSXQFHGCARLPL-UHFFFAOYSA-N 0 0 420.100 5.756 40 0 HKABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000016575335 560860996 /nfs/dbraw/zinc/86/09/96/560860996.db2.gz GVIRZAZFRDTQFC-UHFFFAOYSA-N 0 0 419.959 5.111 40 0 HKABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000016575360 560860988 /nfs/dbraw/zinc/86/09/88/560860988.db2.gz DIENDWYRYMWMBL-UHFFFAOYSA-N 0 0 419.959 5.111 40 0 HKABRN CC(C)c1ncc(-n2nnnc2-c2ccccc2)c(-c2ccc(Cl)c(Cl)c2)n1 ZINC000016576008 558796006 /nfs/dbraw/zinc/79/60/06/558796006.db2.gz ZXQPWJQDAUQJMD-UHFFFAOYSA-N 0 0 411.296 5.217 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000016576088 558796001 /nfs/dbraw/zinc/79/60/01/558796001.db2.gz OKWAMYUQJJCLMG-BVIHDFQZSA-N 0 0 408.369 5.736 40 0 HKABRN C[C@@H](CCCNC(=O)Nc1cccc(Cl)c1)CNC(=O)Nc1cccc(Cl)c1 ZINC000016576270 558796048 /nfs/dbraw/zinc/79/60/48/558796048.db2.gz VLVAJGMDBONIDS-AWEZNQCLSA-N 0 0 423.344 5.353 40 0 HKABRN C[C@H](CCCNC(=O)Nc1cccc(Cl)c1)CNC(=O)Nc1cccc(Cl)c1 ZINC000016576272 558795988 /nfs/dbraw/zinc/79/59/88/558795988.db2.gz VLVAJGMDBONIDS-CQSZACIVSA-N 0 0 423.344 5.353 40 0 HKABRN CC1(C)[C@@H](C=C(Br)Br)[C@@H]1C(=O)Oc1cccc2ccccc21 ZINC000016577166 558796200 /nfs/dbraw/zinc/79/62/00/558796200.db2.gz LCWOCTSWSRGYOZ-XJKSGUPXSA-N 0 0 424.132 5.649 40 0 HKABRN CC1(C)[C@H](C=C(Br)Br)[C@@H]1C(=O)Oc1cccc2ccccc21 ZINC000016577169 558796216 /nfs/dbraw/zinc/79/62/16/558796216.db2.gz LCWOCTSWSRGYOZ-CZUORRHYSA-N 0 0 424.132 5.649 40 0 HKABRN CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)Oc1cccc2ccccc21 ZINC000016577172 558796167 /nfs/dbraw/zinc/79/61/67/558796167.db2.gz LCWOCTSWSRGYOZ-BBRMVZONSA-N 0 0 424.132 5.649 40 0 HKABRN CC1(C)[C@H](C(=O)Oc2cccc3ccccc32)[C@H]1C=C(Br)Br ZINC000016577175 558796278 /nfs/dbraw/zinc/79/62/78/558796278.db2.gz LCWOCTSWSRGYOZ-CJNGLKHVSA-N 0 0 424.132 5.649 40 0 HKABRN CC1=CC(=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)CC(C)(C)C1 ZINC000016607138 558796624 /nfs/dbraw/zinc/79/66/24/558796624.db2.gz UPGFECCEIGQOKD-UHFFFAOYSA-N 0 0 416.546 5.414 40 0 HKABRN CC1CCN(c2ccc(NC(=O)c3cccc4c(Br)cccc34)cc2)CC1 ZINC000016609322 558796664 /nfs/dbraw/zinc/79/66/64/558796664.db2.gz CAIAZTAJHTVTRB-UHFFFAOYSA-N 0 0 423.354 6.091 40 0 HKABRN CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000016610400 560861061 /nfs/dbraw/zinc/86/10/61/560861061.db2.gz QPVFBOLIXDKZHY-LLVKDONJSA-N 0 0 419.959 5.254 40 0 HKABRN CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000016610402 560861030 /nfs/dbraw/zinc/86/10/30/560861030.db2.gz QPVFBOLIXDKZHY-NSHDSACASA-N 0 0 419.959 5.254 40 0 HKABRN CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000016610471 560861086 /nfs/dbraw/zinc/86/10/86/560861086.db2.gz YCSPLZLNENJZOJ-LLVKDONJSA-N 0 0 419.959 5.254 40 0 HKABRN CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000016610473 560861094 /nfs/dbraw/zinc/86/10/94/560861094.db2.gz YCSPLZLNENJZOJ-NSHDSACASA-N 0 0 419.959 5.254 40 0 HKABRN CC[C@@H](C)c1ccc(-c2nc3c(cc(Br)c(N)c3Br)o2)cc1 ZINC000016610571 558796781 /nfs/dbraw/zinc/79/67/81/558796781.db2.gz LOVYHULWBFGPDB-SECBINFHSA-N 0 0 424.136 6.116 40 0 HKABRN CC[C@H](C)c1ccc(-c2nc3c(cc(Br)c(N)c3Br)o2)cc1 ZINC000016610573 558796771 /nfs/dbraw/zinc/79/67/71/558796771.db2.gz LOVYHULWBFGPDB-VIFPVBQESA-N 0 0 424.136 6.116 40 0 HKABRN CC[C@@H](C)c1ccc2oc(-c3cc(Br)c(N)c(Br)c3)nc2c1 ZINC000016610575 560846249 /nfs/dbraw/zinc/84/62/49/560846249.db2.gz XRFVJSLWTLUOMP-SECBINFHSA-N 0 0 424.136 6.116 40 0 HKABRN CC[C@H](C)c1ccc2oc(-c3cc(Br)c(N)c(Br)c3)nc2c1 ZINC000016610578 560846237 /nfs/dbraw/zinc/84/62/37/560846237.db2.gz XRFVJSLWTLUOMP-VIFPVBQESA-N 0 0 424.136 6.116 40 0 HKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(C)c(Cl)c2)c1 ZINC000016637123 560861082 /nfs/dbraw/zinc/86/10/82/560861082.db2.gz MWHSAHSVDMOAQR-UHFFFAOYSA-N 0 0 424.353 5.167 40 0 HKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(C)cc2Cl)c1 ZINC000016637146 560861097 /nfs/dbraw/zinc/86/10/97/560861097.db2.gz WHBJIFUJYLVYGU-UHFFFAOYSA-N 0 0 424.353 5.167 40 0 HKABRN CCCC(=O)Nc1ccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)cc1 ZINC000016637189 558797384 /nfs/dbraw/zinc/79/73/84/558797384.db2.gz WRUXAJGMQLXDRY-BJMVGYQFSA-N 0 0 407.297 5.393 40 0 HKABRN CCCC(=O)Nc1cccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c1 ZINC000016637212 558797308 /nfs/dbraw/zinc/79/73/08/558797308.db2.gz WQBHCTYCRPUYAI-CMDGGOBGSA-N 0 0 407.297 5.393 40 0 HKABRN CCCCCCNC(=O)Nc1cccc2c(NC(=O)NCCCCCC)cccc12 ZINC000016638013 558797400 /nfs/dbraw/zinc/79/74/00/558797400.db2.gz CZNJOHSBOLCYEE-UHFFFAOYSA-N 0 0 412.578 6.243 40 0 HKABRN CCCCCCNC(=S)Nc1ccc(NC(=S)NCCCCCC)c(C)c1 ZINC000016638107 558797366 /nfs/dbraw/zinc/79/73/66/558797366.db2.gz KHLUKOIIHMUYQF-UHFFFAOYSA-N 0 0 408.681 5.728 40 0 HKABRN CCCCNC(=S)Nc1ccccc1N(C(=S)NCCCC)c1ccccc1 ZINC000016638880 558797343 /nfs/dbraw/zinc/79/73/43/558797343.db2.gz PCQXOTGDNRAEPX-UHFFFAOYSA-N 0 0 414.644 5.586 40 0 HKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000016639212 560861180 /nfs/dbraw/zinc/86/11/80/560861180.db2.gz FTSCAVBTUVGPPP-UHFFFAOYSA-N 0 0 419.959 5.255 40 0 HKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000016639351 560861201 /nfs/dbraw/zinc/86/12/01/560861201.db2.gz LSQVITSZGGFFSJ-UHFFFAOYSA-N 0 0 419.959 5.255 40 0 HKABRN CCCCSc1nc2nn(Cc3ccccc3)cc2c(=O)n1-c1ccc(Cl)cc1 ZINC000016639461 558797333 /nfs/dbraw/zinc/79/73/33/558797333.db2.gz MVCXNTCXCBSJKP-UHFFFAOYSA-N 0 0 424.957 5.176 40 0 HKABRN CCOC(=O)C1=Cc2c(ccc3ccccc32)O[C@]12C=Cc1c(ccc3ccccc31)O2 ZINC000016682583 558799518 /nfs/dbraw/zinc/79/95/18/558799518.db2.gz ALJLUCYAMNZQRB-MUUNZHRXSA-N 0 0 420.464 6.134 40 0 HKABRN CCOC(=O)C1=Cc2c(ccc3ccccc32)O[C@@]12C=Cc1c(ccc3ccccc31)O2 ZINC000016682584 558799500 /nfs/dbraw/zinc/79/95/00/558799500.db2.gz ALJLUCYAMNZQRB-NDEPHWFRSA-N 0 0 420.464 6.134 40 0 HKABRN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc(C)c1-c1ccccc1 ZINC000016682997 558799681 /nfs/dbraw/zinc/79/96/81/558799681.db2.gz CAXUQOQNNPMUSV-NTCAYCPXSA-N 0 0 421.518 5.561 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000016687858 560861212 /nfs/dbraw/zinc/86/12/12/560861212.db2.gz DBWDDKUZRXOPRP-ACCUITESSA-N 0 0 409.869 5.737 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1 ZINC000016691529 558800079 /nfs/dbraw/zinc/80/00/79/558800079.db2.gz XYAWSTKEGSRRIZ-UHFFFAOYSA-N 0 0 422.488 5.533 40 0 HKABRN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c5ccccc45)cc3n2)cc1 ZINC000016692092 558800248 /nfs/dbraw/zinc/80/02/48/558800248.db2.gz YBHGKYJOTFHPMW-UHFFFAOYSA-N 0 0 422.488 5.533 40 0 HKABRN CCOc1ccc(C(=O)NC(=S)Nc2nc3c(s2)c(C)ccc3C)cc1Cl ZINC000016692380 558800241 /nfs/dbraw/zinc/80/02/41/558800241.db2.gz USDMHHVEMWMTDW-UHFFFAOYSA-N 0 0 419.959 5.092 40 0 HKABRN CCOc1ccc2nc(NC(=O)/C=C/c3cc(Cl)cc(Cl)c3OC)sc2c1 ZINC000016693070 558800533 /nfs/dbraw/zinc/80/05/33/558800533.db2.gz IVZRINHMHJOYMX-QPJJXVBHSA-N 0 0 423.321 5.662 40 0 HKABRN CCOc1cccc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)c1 ZINC000016693203 558800451 /nfs/dbraw/zinc/80/04/51/558800451.db2.gz SAGWLDQHPZRHMA-UHFFFAOYSA-N 0 0 422.488 5.533 40 0 HKABRN CCSc1nc2sc3c(c2c(SCC)n1)CCN(Cc1ccccc1)C3 ZINC000016693643 558800516 /nfs/dbraw/zinc/80/05/16/558800516.db2.gz FRBXIARPZZPWCV-UHFFFAOYSA-N 0 0 401.626 5.474 40 0 HKABRN CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(O)c1 ZINC000016697927 569261089 /nfs/dbraw/zinc/26/10/89/569261089.db2.gz LNAMHROPPVZCBA-UHFFFAOYSA-N 0 0 416.524 7.141 40 0 HKABRN c1s/c(=N\c2ccccc2)n(CCc2ccccc2)c1-c1ccc2ccccc2c1 ZINC000016711338 558801717 /nfs/dbraw/zinc/80/17/17/558801717.db2.gz WYWYOTGEYGRNMJ-DQSJHHFOSA-N 0 0 406.554 6.845 40 0 HKABRN COc1ccccc1-n1c(-c2ccc(Cl)cc2)cs/c1=N\C(=O)c1ccccc1 ZINC000016711517 558801818 /nfs/dbraw/zinc/80/18/18/558801818.db2.gz NBLOLHUYUXNATI-BZZOAKBMSA-N 0 0 420.921 5.609 40 0 HKABRN Cn1c(SCC(=O)c2ccc3ccccc3c2)nc2sc3c(c2c1=O)CCCC3 ZINC000016713387 558802031 /nfs/dbraw/zinc/80/20/31/558802031.db2.gz IVOILYOPEITISS-UHFFFAOYSA-N 0 0 420.559 5.002 40 0 HKABRN CC1(C)CSC(N(CC(=O)c2ccc(Br)cc2)c2ccccc2)=N1 ZINC000016739901 558803199 /nfs/dbraw/zinc/80/31/99/558803199.db2.gz YUOVXVOQJARJBZ-UHFFFAOYSA-N 0 0 403.345 5.020 40 0 HKABRN O=C(Cc1ccccc1)Nn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1 ZINC000016739988 569262054 /nfs/dbraw/zinc/26/20/54/569262054.db2.gz QBCCPLQOVLUJLX-BZZOAKBMSA-N 0 0 419.937 5.415 40 0 HKABRN Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=O)CC(C)(C)C2 ZINC000016740176 558803244 /nfs/dbraw/zinc/80/32/44/558803244.db2.gz CXQYFUXESDZGQX-UHFFFAOYSA-N 0 0 401.506 5.586 40 0 HKABRN Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1[C@H](O)CC(C)(C)C2 ZINC000016740235 558803295 /nfs/dbraw/zinc/80/32/95/558803295.db2.gz XMEZVPFHJBSSAJ-OAQYLSRUSA-N 0 0 403.522 5.436 40 0 HKABRN Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1[C@@H](O)CC(C)(C)C2 ZINC000016740236 558803304 /nfs/dbraw/zinc/80/33/04/558803304.db2.gz XMEZVPFHJBSSAJ-NRFANRHFSA-N 0 0 403.522 5.436 40 0 HKABRN Cc1c(C(=O)Nc2ccc(Nc3ccccc3)cc2)sc2nc(-c3ccccc3)cn12 ZINC000016740402 558803306 /nfs/dbraw/zinc/80/33/06/558803306.db2.gz ZTJKXNSASFDHKX-UHFFFAOYSA-N 0 0 424.529 6.367 40 0 HKABRN O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000016740440 558803328 /nfs/dbraw/zinc/80/33/28/558803328.db2.gz XJKDDGGNYPDVLF-UHFFFAOYSA-N 0 0 416.484 6.293 40 0 HKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000016740449 558803273 /nfs/dbraw/zinc/80/32/73/558803273.db2.gz HVOWQAKILHYBGF-UHFFFAOYSA-N 0 0 417.468 6.341 40 0 HKABRN O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000016740467 558803322 /nfs/dbraw/zinc/80/33/22/558803322.db2.gz BWZAICFEIMPNJE-UHFFFAOYSA-N 0 0 416.484 6.293 40 0 HKABRN Cc1cccc(NC(=O)Cn2c(=O)sc3c2SC(C)(C)[C@@H]2CC[C@H](C)C[C@@H]32)c1 ZINC000016754176 558943397 /nfs/dbraw/zinc/94/33/97/558943397.db2.gz GDPWCXPDRURPNU-USXIJHARSA-N 0 0 416.612 5.261 40 0 HKABRN Cc1cccc(NC(=O)Cn2c(=O)sc3c2SC(C)(C)[C@H]2CC[C@@H](C)C[C@@H]32)c1 ZINC000016754179 558805485 /nfs/dbraw/zinc/80/54/85/558805485.db2.gz GDPWCXPDRURPNU-OIISXLGYSA-N 0 0 416.612 5.261 40 0 HKABRN Cc1cccc(NC(=O)Cn2c(=O)sc3c2SC(C)(C)[C@H]2CC[C@H](C)C[C@@H]32)c1 ZINC000016754181 558805477 /nfs/dbraw/zinc/80/54/77/558805477.db2.gz GDPWCXPDRURPNU-UAGQMJEPSA-N 0 0 416.612 5.261 40 0 HKABRN NC1=NC(=O)SC1=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000016754183 569046454 /nfs/dbraw/zinc/04/64/54/569046454.db2.gz ZNYJQSOSHHMUQS-IQDKPADRSA-N 0 0 424.529 5.817 40 0 HKABRN NC1=NC(=O)SC1=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000016754185 569046408 /nfs/dbraw/zinc/04/64/08/569046408.db2.gz ZNYJQSOSHHMUQS-PZLPMSIKSA-N 0 0 424.529 5.817 40 0 HKABRN Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1Cl ZINC000016755759 569262447 /nfs/dbraw/zinc/26/24/47/569262447.db2.gz FYXKQSKAJLUYPS-UHFFFAOYSA-N 0 0 420.152 5.565 40 0 HKABRN CC(C)(C)c1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2N)cc1 ZINC000016755808 558805619 /nfs/dbraw/zinc/80/56/19/558805619.db2.gz NQWVKFISOWIHMA-UHFFFAOYSA-N 0 0 407.370 5.556 40 0 HKABRN Clc1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1Cl ZINC000016756256 558805601 /nfs/dbraw/zinc/80/56/01/558805601.db2.gz ZRFHBNVYLYDTSE-UHFFFAOYSA-N 0 0 417.321 5.581 40 0 HKABRN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccccc2C(F)(F)F)n1)CCC3 ZINC000016756533 569262458 /nfs/dbraw/zinc/26/24/58/569262458.db2.gz KTKPEHKWAPGXMF-UHFFFAOYSA-N 0 0 423.485 5.238 40 0 HKABRN Cc1nc2sc3c(c2c(SCC(=O)c2ccc(-c4ccccc4)cc2)n1)CCC3 ZINC000016756541 569262436 /nfs/dbraw/zinc/26/24/36/569262436.db2.gz PXMVHEVISBYTLF-UHFFFAOYSA-N 0 0 416.571 6.130 40 0 HKABRN CCn1c2ccccc2c2ccc(NC(=O)c3oc4c(c3C)[C@H](O)CC(C)(C)C4)cc21 ZINC000016756770 558805796 /nfs/dbraw/zinc/80/57/96/558805796.db2.gz WEJASCITBBKMDR-OAQYLSRUSA-N 0 0 416.521 5.974 40 0 HKABRN CCn1c2ccccc2c2ccc(NC(=O)c3oc4c(c3C)[C@@H](O)CC(C)(C)C4)cc21 ZINC000016756773 558805776 /nfs/dbraw/zinc/80/57/76/558805776.db2.gz WEJASCITBBKMDR-NRFANRHFSA-N 0 0 416.521 5.974 40 0 HKABRN CCn1c2ccccc2c2ccc(NC(=O)c3oc4c(c3C)C(=O)CC(C)(C)C4)cc21 ZINC000016756776 558805780 /nfs/dbraw/zinc/80/57/80/558805780.db2.gz NFKFFGXZNGLOLU-UHFFFAOYSA-N 0 0 414.505 6.123 40 0 HKABRN Cn1c2cc(-c3ccccc3)c(C(=S)NC(=O)c3ccccc3)n2c2ccccc21 ZINC000016756836 558805816 /nfs/dbraw/zinc/80/58/16/558805816.db2.gz KJTDSEJULDKWHG-UHFFFAOYSA-N 0 0 409.514 5.204 40 0 HKABRN Cc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)c1 ZINC000016757543 558805761 /nfs/dbraw/zinc/80/57/61/558805761.db2.gz QSJIAGRUEVCJHF-UHFFFAOYSA-N 0 0 407.542 6.688 40 0 HKABRN CCOC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757549 558805788 /nfs/dbraw/zinc/80/57/88/558805788.db2.gz URJGHJVOQZZKCW-MRXNPFEDSA-N 0 0 403.507 5.131 40 0 HKABRN CCOC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757552 558805819 /nfs/dbraw/zinc/80/58/19/558805819.db2.gz URJGHJVOQZZKCW-INIZCTEOSA-N 0 0 403.507 5.131 40 0 HKABRN C[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)c1ccccc1 ZINC000016757561 558805810 /nfs/dbraw/zinc/80/58/10/558805810.db2.gz AVWIIEVBHPJBOH-LJQANCHMSA-N 0 0 407.542 6.941 40 0 HKABRN C[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)c1ccccc1 ZINC000016757564 558805993 /nfs/dbraw/zinc/80/59/93/558805993.db2.gz AVWIIEVBHPJBOH-IBGZPJMESA-N 0 0 407.542 6.941 40 0 HKABRN Fc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 ZINC000016757570 558805933 /nfs/dbraw/zinc/80/59/33/558805933.db2.gz HDCMPWCVMUFWQC-UHFFFAOYSA-N 0 0 411.505 6.519 40 0 HKABRN CC[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)C(=O)OC ZINC000016757573 558805972 /nfs/dbraw/zinc/80/59/72/558805972.db2.gz QFMNVPDZXSIUEG-LJQANCHMSA-N 0 0 403.507 5.131 40 0 HKABRN CC[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)C(=O)OC ZINC000016757576 558805966 /nfs/dbraw/zinc/80/59/66/558805966.db2.gz QFMNVPDZXSIUEG-IBGZPJMESA-N 0 0 403.507 5.131 40 0 HKABRN CCOC(=O)[C@@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757588 558805950 /nfs/dbraw/zinc/80/59/50/558805950.db2.gz IWQDMFVHZKYRGF-HXUWFJFHSA-N 0 0 417.534 5.521 40 0 HKABRN CCOC(=O)[C@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757591 558805939 /nfs/dbraw/zinc/80/59/39/558805939.db2.gz IWQDMFVHZKYRGF-FQEVSTJZSA-N 0 0 417.534 5.521 40 0 HKABRN Cc1ccccc1CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757594 558806004 /nfs/dbraw/zinc/80/60/04/558806004.db2.gz WDJYHZOZYRGJJN-UHFFFAOYSA-N 0 0 407.542 6.688 40 0 HKABRN Cc1ccc(C)c(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)c1 ZINC000016757608 558805978 /nfs/dbraw/zinc/80/59/78/558805978.db2.gz AFAGYTPBBNAYDG-UHFFFAOYSA-N 0 0 421.569 6.997 40 0 HKABRN Cc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 ZINC000016757610 558805912 /nfs/dbraw/zinc/80/59/12/558805912.db2.gz YFVBQTOPGRRCKF-UHFFFAOYSA-N 0 0 407.542 6.688 40 0 HKABRN Fc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)c1 ZINC000016757621 558805907 /nfs/dbraw/zinc/80/59/07/558805907.db2.gz ARBURHAFJWQWHW-UHFFFAOYSA-N 0 0 411.505 6.519 40 0 HKABRN O=C(CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)c1ccccc1 ZINC000016757626 558805899 /nfs/dbraw/zinc/80/58/99/558805899.db2.gz RAWRLGKEKIMPMG-UHFFFAOYSA-N 0 0 421.525 6.063 40 0 HKABRN CCOC(=O)C(C)(C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757629 558805888 /nfs/dbraw/zinc/80/58/88/558805888.db2.gz WJRUGYGWMDLAOL-UHFFFAOYSA-N 0 0 417.534 5.521 40 0 HKABRN Cc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)c1 ZINC000016757646 558805918 /nfs/dbraw/zinc/80/59/18/558805918.db2.gz MYWIESVHBYKIAU-UHFFFAOYSA-N 0 0 421.569 6.997 40 0 HKABRN CCOC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757652 558805955 /nfs/dbraw/zinc/80/59/55/558805955.db2.gz ZCEKXEZJKXEJJN-QGZVFWFLSA-N 0 0 417.534 5.440 40 0 HKABRN CCOC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757655 558805878 /nfs/dbraw/zinc/80/58/78/558805878.db2.gz ZCEKXEZJKXEJJN-KRWDZBQOSA-N 0 0 417.534 5.440 40 0 HKABRN COC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757658 558806014 /nfs/dbraw/zinc/80/60/14/558806014.db2.gz AQPHXWWHHCAQET-MRXNPFEDSA-N 0 0 403.507 5.050 40 0 HKABRN COC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757660 558805874 /nfs/dbraw/zinc/80/58/74/558805874.db2.gz AQPHXWWHHCAQET-INIZCTEOSA-N 0 0 403.507 5.050 40 0 HKABRN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3S[C@H](C)c2ccccc2)c1 ZINC000016757663 558805929 /nfs/dbraw/zinc/80/59/29/558805929.db2.gz CUMSMNYZJHPVLT-HXUWFJFHSA-N 0 0 421.569 7.249 40 0 HKABRN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3S[C@@H](C)c2ccccc2)c1 ZINC000016757666 558805960 /nfs/dbraw/zinc/80/59/60/558805960.db2.gz CUMSMNYZJHPVLT-FQEVSTJZSA-N 0 0 421.569 7.249 40 0 HKABRN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2ccccc2)c1 ZINC000016757668 558805944 /nfs/dbraw/zinc/80/59/44/558805944.db2.gz DLTFVVAKTCCJFS-UHFFFAOYSA-N 0 0 407.542 6.688 40 0 HKABRN CC[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1)C(=O)OC ZINC000016757674 558806009 /nfs/dbraw/zinc/80/60/09/558806009.db2.gz ZYFBSKQHWKUEPK-HXUWFJFHSA-N 0 0 417.534 5.440 40 0 HKABRN CC[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1)C(=O)OC ZINC000016757677 558805998 /nfs/dbraw/zinc/80/59/98/558805998.db2.gz ZYFBSKQHWKUEPK-FQEVSTJZSA-N 0 0 417.534 5.440 40 0 HKABRN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3SCc2ccccc2C)c1 ZINC000016757693 558805896 /nfs/dbraw/zinc/80/58/96/558805896.db2.gz YRAZPORURDAUBH-UHFFFAOYSA-N 0 0 421.569 6.997 40 0 HKABRN Cc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)cc1 ZINC000016757709 558805924 /nfs/dbraw/zinc/80/59/24/558805924.db2.gz WWDOWXXBFPWVAX-UHFFFAOYSA-N 0 0 421.569 6.997 40 0 HKABRN CCOC(=O)CSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757723 558805903 /nfs/dbraw/zinc/80/59/03/558805903.db2.gz ZMIXRXDLHZDABY-UHFFFAOYSA-N 0 0 403.507 5.051 40 0 HKABRN CC(=O)C[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757731 558805891 /nfs/dbraw/zinc/80/58/91/558805891.db2.gz IWZLZSIPBRRFCQ-SFHVURJKSA-N 0 0 401.535 5.856 40 0 HKABRN CC(=O)C[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757733 558805885 /nfs/dbraw/zinc/80/58/85/558805885.db2.gz IWZLZSIPBRRFCQ-GOSISDBHSA-N 0 0 401.535 5.856 40 0 HKABRN COC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757752 558805988 /nfs/dbraw/zinc/80/59/88/558805988.db2.gz MSOQWNITYUUUHN-CQSZACIVSA-N 0 0 423.925 5.395 40 0 HKABRN COC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757755 558805982 /nfs/dbraw/zinc/80/59/82/558805982.db2.gz MSOQWNITYUUUHN-AWEZNQCLSA-N 0 0 423.925 5.395 40 0 HKABRN CC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757793 558805882 /nfs/dbraw/zinc/80/58/82/558805882.db2.gz MUUAETUNIIXBPL-OAHLLOKOSA-N 0 0 407.926 5.811 40 0 HKABRN CC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757795 558806098 /nfs/dbraw/zinc/80/60/98/558806098.db2.gz MUUAETUNIIXBPL-HNNXBMFYSA-N 0 0 407.926 5.811 40 0 HKABRN CCCCCSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757798 558806103 /nfs/dbraw/zinc/80/61/03/558806103.db2.gz WLMMFVPIFULVSQ-UHFFFAOYSA-N 0 0 407.970 7.023 40 0 HKABRN CCOC(=O)CSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757820 558806141 /nfs/dbraw/zinc/80/61/41/558806141.db2.gz RUOZBLLCKGACGU-UHFFFAOYSA-N 0 0 423.925 5.396 40 0 HKABRN CC(=O)C[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757829 558806112 /nfs/dbraw/zinc/80/61/12/558806112.db2.gz FFDZWNGXIYUCTL-INIZCTEOSA-N 0 0 421.953 6.201 40 0 HKABRN CC(=O)C[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757832 558806052 /nfs/dbraw/zinc/80/60/52/558806052.db2.gz FFDZWNGXIYUCTL-MRXNPFEDSA-N 0 0 421.953 6.201 40 0 HKABRN COC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757854 558806089 /nfs/dbraw/zinc/80/60/89/558806089.db2.gz KXDJQPNGZDWAAN-CQSZACIVSA-N 0 0 423.925 5.395 40 0 HKABRN COC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757856 558806086 /nfs/dbraw/zinc/80/60/86/558806086.db2.gz KXDJQPNGZDWAAN-AWEZNQCLSA-N 0 0 423.925 5.395 40 0 HKABRN CC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757889 558806127 /nfs/dbraw/zinc/80/61/27/558806127.db2.gz DHCQVASLPLHVEU-OAHLLOKOSA-N 0 0 407.926 5.811 40 0 HKABRN CC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757892 558806131 /nfs/dbraw/zinc/80/61/31/558806131.db2.gz DHCQVASLPLHVEU-HNNXBMFYSA-N 0 0 407.926 5.811 40 0 HKABRN CCOC(=O)CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757914 558806118 /nfs/dbraw/zinc/80/61/18/558806118.db2.gz ZZVSUGZIPBDACM-UHFFFAOYSA-N 0 0 423.925 5.396 40 0 HKABRN CC(=O)C[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757922 558806059 /nfs/dbraw/zinc/80/60/59/558806059.db2.gz IZTQXHAPWWZDEK-INIZCTEOSA-N 0 0 421.953 6.201 40 0 HKABRN CC(=O)C[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757925 558806076 /nfs/dbraw/zinc/80/60/76/558806076.db2.gz IZTQXHAPWWZDEK-MRXNPFEDSA-N 0 0 421.953 6.201 40 0 HKABRN CCCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757931 558806094 /nfs/dbraw/zinc/80/60/94/558806094.db2.gz FJADQKNJSIIHME-UHFFFAOYSA-N 0 0 424.367 6.352 40 0 HKABRN CCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757934 558806063 /nfs/dbraw/zinc/80/60/63/558806063.db2.gz KJPXAMNQQKQDIB-UHFFFAOYSA-N 0 0 410.340 5.962 40 0 HKABRN CC(C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016758002 558806145 /nfs/dbraw/zinc/80/61/45/558806145.db2.gz RGDBVTAIEIUVRL-UHFFFAOYSA-N 0 0 424.367 6.351 40 0 HKABRN CC[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758051 558806107 /nfs/dbraw/zinc/80/61/07/558806107.db2.gz UEGIXXUSSQDCBZ-MRXNPFEDSA-N 0 0 407.970 6.940 40 0 HKABRN CC[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758053 558806153 /nfs/dbraw/zinc/80/61/53/558806153.db2.gz UEGIXXUSSQDCBZ-INIZCTEOSA-N 0 0 407.970 6.940 40 0 HKABRN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SCC(C)C)cc1Cl ZINC000016758055 558806072 /nfs/dbraw/zinc/80/60/72/558806072.db2.gz UVBCCVZGMUBQES-UHFFFAOYSA-N 0 0 407.970 6.797 40 0 HKABRN CC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758067 558806156 /nfs/dbraw/zinc/80/61/56/558806156.db2.gz UTRCCHGCHXXHOL-MRXNPFEDSA-N 0 0 421.953 6.119 40 0 HKABRN CC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758069 558806067 /nfs/dbraw/zinc/80/60/67/558806067.db2.gz UTRCCHGCHXXHOL-INIZCTEOSA-N 0 0 421.953 6.119 40 0 HKABRN CCCCCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758072 558806080 /nfs/dbraw/zinc/80/60/80/558806080.db2.gz IVTQNRCGMILNID-UHFFFAOYSA-N 0 0 421.997 7.332 40 0 HKABRN CCCCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758085 558806137 /nfs/dbraw/zinc/80/61/37/558806137.db2.gz QTKYPDWATPWUDT-UHFFFAOYSA-N 0 0 407.970 6.942 40 0 HKABRN Cc1ccc2nc(CSc3cc(C(F)(F)F)c4cc5c(cc4n3)OCO5)cn2c1 ZINC000016768205 558806244 /nfs/dbraw/zinc/80/62/44/558806244.db2.gz CXFUDZWLUWXTFJ-UHFFFAOYSA-N 0 0 417.412 5.231 40 0 HKABRN CN(Cc1ccccc1)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016768291 558806304 /nfs/dbraw/zinc/80/63/04/558806304.db2.gz CZYMRROEMBFZOF-UHFFFAOYSA-N 0 0 424.935 6.377 40 0 HKABRN CN(Cc1ccccc1)c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016768298 558806229 /nfs/dbraw/zinc/80/62/29/558806229.db2.gz RMXAFTVEVGTSMZ-UHFFFAOYSA-N 0 0 424.935 6.377 40 0 HKABRN CC(C)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000016768339 558806308 /nfs/dbraw/zinc/80/63/08/558806308.db2.gz HPIJNBIDDWJLNJ-UHFFFAOYSA-N 0 0 424.470 6.564 40 0 HKABRN O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S)Nc1ccc(Cl)cc1 ZINC000016768587 571047799 /nfs/dbraw/zinc/04/77/99/571047799.db2.gz PCOLBWUQQLUHGQ-UHFFFAOYSA-N 0 0 420.925 5.362 40 0 HKABRN O=C(Cn1nc(-c2ccccc2Cl)n(-c2ccccc2)c1=S)Nc1ccccc1 ZINC000016768816 569262642 /nfs/dbraw/zinc/26/26/42/569262642.db2.gz MTPNYSSCHXUAQV-UHFFFAOYSA-N 0 0 420.925 5.362 40 0 HKABRN CCOc1ccccc1N(CC(=O)c1ccc(Cl)cc1Cl)C1=NCCCS1 ZINC000016768830 569262643 /nfs/dbraw/zinc/26/26/43/569262643.db2.gz FOKPVVVFOCMTOA-UHFFFAOYSA-N 0 0 423.365 5.574 40 0 HKABRN Cc1cccc(NC(=O)Cn2nc(COc3ccc(Cl)cc3Cl)oc2=S)c1 ZINC000016768947 569262680 /nfs/dbraw/zinc/26/26/80/569262680.db2.gz LFQGAHXSPVDGTI-UHFFFAOYSA-N 0 0 424.309 5.039 40 0 HKABRN Cc1ccccc1NC(=O)Cn1nc(COc2ccc(Cl)cc2Cl)oc1=S ZINC000016768950 569262616 /nfs/dbraw/zinc/26/26/16/569262616.db2.gz RXCGYLFEKSPLDV-UHFFFAOYSA-N 0 0 424.309 5.039 40 0 HKABRN Cc1ccc(C(=O)Oc2ccc3ccccc3c2-c2cc(=O)n3c(n2)CCCCC3)cc1 ZINC000016769144 569262716 /nfs/dbraw/zinc/26/27/16/569262716.db2.gz LCEVDYICSIFMPR-UHFFFAOYSA-N 0 0 424.500 5.318 40 0 HKABRN O=C(Cn1nc(COc2ccccc2)oc1=S)N(c1ccccc1)c1ccccc1 ZINC000016769598 569262669 /nfs/dbraw/zinc/26/26/69/569262669.db2.gz IJQCMFMUNRZTEL-UHFFFAOYSA-N 0 0 417.490 5.149 40 0 HKABRN Cc1ccc(-c2nn(CC(=O)c3ccc(Cl)cc3)c(=S)n2-c2ccccc2)cc1 ZINC000016769680 569262701 /nfs/dbraw/zinc/26/27/01/569262701.db2.gz RJEMREGABKXDPW-UHFFFAOYSA-N 0 0 419.937 5.915 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)N(Cc1cccc(F)c1)c1nnc2n1CCCCC2 ZINC000016769778 569046404 /nfs/dbraw/zinc/04/64/04/569046404.db2.gz DEJDWLZBEKICAF-UHFFFAOYSA-N 0 0 413.884 5.036 40 0 HKABRN O=C(Nc1cccc(Cl)c1)N(Cc1cccc(F)c1)c1nnc2n1CCCCC2 ZINC000016769791 569046458 /nfs/dbraw/zinc/04/64/58/569046458.db2.gz XEXNYYGUPXSSCK-UHFFFAOYSA-N 0 0 413.884 5.036 40 0 HKABRN Cc1ccccc1CN(C(=O)Nc1cccc(Cl)c1)c1nnc2n1CCCCC2 ZINC000016769797 558806395 /nfs/dbraw/zinc/80/63/95/558806395.db2.gz ADZIUSZOSQODPB-UHFFFAOYSA-N 0 0 409.921 5.205 40 0 HKABRN Cc1ccccc1CN(C(=O)Nc1ccc(Cl)cc1)c1nnc2n1CCCCC2 ZINC000016769807 558806410 /nfs/dbraw/zinc/80/64/10/558806410.db2.gz MHHPLORWHWWMNG-UHFFFAOYSA-N 0 0 409.921 5.205 40 0 HKABRN O=C(Nc1cccc(Cl)c1)N(Cc1ccccc1F)c1nnc2n1CCCCC2 ZINC000016769833 569046445 /nfs/dbraw/zinc/04/64/45/569046445.db2.gz OIEMGJPRJHGQFU-UHFFFAOYSA-N 0 0 413.884 5.036 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)N(Cc1ccc(F)cc1)c1nnc2n1CCCCC2 ZINC000016769841 558806367 /nfs/dbraw/zinc/80/63/67/558806367.db2.gz RCTIOLNIVOJODB-UHFFFAOYSA-N 0 0 413.884 5.036 40 0 HKABRN O=C(Nc1ccccc1)N(Cc1ccc(F)c(Cl)c1)c1nnc2n1CCCCC2 ZINC000016769845 558806342 /nfs/dbraw/zinc/80/63/42/558806342.db2.gz PGAZCFGBAZSJHJ-UHFFFAOYSA-N 0 0 413.884 5.036 40 0 HKABRN Cc1cccc(NC(=O)N(Cc2cccc(Cl)c2)c2nnc3n2CCCCC3)c1 ZINC000016769884 558806328 /nfs/dbraw/zinc/80/63/28/558806328.db2.gz OZCXNOGMKJAGEI-UHFFFAOYSA-N 0 0 409.921 5.205 40 0 HKABRN CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O ZINC000016776825 558806399 /nfs/dbraw/zinc/80/63/99/558806399.db2.gz MPOJBJDAFJGLAS-YYVWFHOOSA-N 0 0 421.544 5.833 40 0 HKABRN CCc1ccccc1N1C[C@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O ZINC000016776827 558806381 /nfs/dbraw/zinc/80/63/81/558806381.db2.gz MPOJBJDAFJGLAS-UQNNOOFXSA-N 0 0 421.544 5.833 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)n1c(-c2ccc(Cl)cc2)cc2ccccc21 ZINC000016777015 569262627 /nfs/dbraw/zinc/26/26/27/569262627.db2.gz ZBWZYGXLOYJYOI-UHFFFAOYSA-N 0 0 415.707 7.349 40 0 HKABRN CCCC(=O)n1c(C)nc2c1SC(c1ccc(C(C)C)cc1)=NN2C(=O)CCC ZINC000016777268 569262693 /nfs/dbraw/zinc/26/26/93/569262693.db2.gz UFSKBBWYQUTKHE-UHFFFAOYSA-N 0 0 412.559 5.356 40 0 HKABRN CCC(=O)n1c(-c2ccccc2)nc2c1SC(c1ccc(C)cc1)=NN2C(=O)CC ZINC000016777372 569262725 /nfs/dbraw/zinc/26/27/25/569262725.db2.gz DBPFVEBULBFRKS-UHFFFAOYSA-N 0 0 418.522 5.119 40 0 HKABRN CCC(=O)n1cnc2c1SC(c1ccc(C3CCCCC3)cc1)=NN2C(=O)CC ZINC000016777635 569262854 /nfs/dbraw/zinc/26/28/54/569262854.db2.gz JZCBDXPLXBIOID-UHFFFAOYSA-N 0 0 410.543 5.192 40 0 HKABRN CCC(=O)n1c(-c2ccc(C)cc2)nc2c1SC(c1ccccc1)=NN2C(=O)CC ZINC000016777645 569262857 /nfs/dbraw/zinc/26/28/57/569262857.db2.gz HSWIFSSKSDSULZ-UHFFFAOYSA-N 0 0 418.522 5.119 40 0 HKABRN CCCC(=O)n1c(CC)nc2c1SC(c1ccc(Cl)cc1)=NN2C(=O)CCC ZINC000016777659 569262844 /nfs/dbraw/zinc/26/28/44/569262844.db2.gz NOSBKCIEKAOYOD-UHFFFAOYSA-N 0 0 418.950 5.140 40 0 HKABRN CCC(=O)n1c(C)nc2c1SC(c1ccc(C3CCCCC3)cc1)=NN2C(=O)CC ZINC000016777672 569262902 /nfs/dbraw/zinc/26/29/02/569262902.db2.gz TYIHFOUMQPWJDC-UHFFFAOYSA-N 0 0 424.570 5.500 40 0 HKABRN CCC(=O)n1c(CC)nc2c1SC(c1ccc(C(C)(C)C)cc1)=NN2C(=O)CC ZINC000016777717 569262932 /nfs/dbraw/zinc/26/29/32/569262932.db2.gz YFNMSUZCKHVGJU-UHFFFAOYSA-N 0 0 412.559 5.004 40 0 HKABRN CCCC(=O)n1cnc2c1SC(c1ccc(C(C)(C)C)cc1)=NN2C(=O)CCC ZINC000016777762 569262903 /nfs/dbraw/zinc/26/29/03/569262903.db2.gz YTNKIHUDAOKBQM-UHFFFAOYSA-N 0 0 412.559 5.222 40 0 HKABRN CC(=O)n1c(C2CCCCC2)nc2c1SC(c1ccc(Cl)cc1)=NN2C(C)=O ZINC000016777909 569262908 /nfs/dbraw/zinc/26/29/08/569262908.db2.gz HLZCZBXKFMGZAB-UHFFFAOYSA-N 0 0 416.934 5.065 40 0 HKABRN Cc1cc(C)c(NC(=O)Cn2nc(C3CCCCC3)n(-n3cccc3)c2=S)c(C)c1 ZINC000016777924 569262925 /nfs/dbraw/zinc/26/29/25/569262925.db2.gz JLDMCMDCVFNLRB-UHFFFAOYSA-N 0 0 423.586 5.139 40 0 HKABRN CC(C)c1ccc(NC(=O)Cn2nc(C3CCCCC3)n(-n3cccc3)c2=S)cc1 ZINC000016777973 569262924 /nfs/dbraw/zinc/26/29/24/569262924.db2.gz CAGSYZBAIVMARC-UHFFFAOYSA-N 0 0 423.586 5.337 40 0 HKABRN CC(C)N(C(=O)Cn1nc(C2CCCCC2)n(-n2cccc2)c1=S)c1ccccc1 ZINC000016777984 569262895 /nfs/dbraw/zinc/26/28/95/569262895.db2.gz YSHBIXPZLNJYQH-UHFFFAOYSA-N 0 0 423.586 5.016 40 0 HKABRN CCC(=O)n1c(C2CCCCC2)nc2c1SC(c1ccccc1)=NN2C(=O)CC ZINC000016777991 569262915 /nfs/dbraw/zinc/26/29/15/569262915.db2.gz YWUVNBPYHBGAFT-UHFFFAOYSA-N 0 0 410.543 5.192 40 0 HKABRN Nc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1C(=O)c1ccccc1 ZINC000016778037 569262943 /nfs/dbraw/zinc/26/29/43/569262943.db2.gz PLONZBASCUKVFW-UHFFFAOYSA-N 0 0 424.287 5.471 40 0 HKABRN Cc1ccc(C(=O)n2c(N)c(C(=O)Nc3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000016778053 569262901 /nfs/dbraw/zinc/26/29/01/569262901.db2.gz JROVOIKNZRJSFU-UHFFFAOYSA-N 0 0 403.869 5.126 40 0 HKABRN Cc1ccc(C(=O)n2c(N)c(C(=O)Nc3ccccc3Cl)c3ccccc32)cc1 ZINC000016778055 569262911 /nfs/dbraw/zinc/26/29/11/569262911.db2.gz BGYFXPKNYQLEAZ-UHFFFAOYSA-N 0 0 403.869 5.126 40 0 HKABRN Cc1cccc(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)cc3)c3ccccc32)c1C ZINC000016778061 569262899 /nfs/dbraw/zinc/26/28/99/569262899.db2.gz NXWNLYCAGRZQKH-UHFFFAOYSA-N 0 0 417.896 5.435 40 0 HKABRN c1coc(-c2csc(Cc3ccc(Cc4nc(-c5ccco5)cs4)s3)n2)c1 ZINC000016778619 558806565 /nfs/dbraw/zinc/80/65/65/558806565.db2.gz FXKZKORKESRBTC-UHFFFAOYSA-N 0 0 410.545 6.363 40 0 HKABRN O=C(Nc1nc(C23C[C@H]4C[C@H](CC(Cl)(C4)C2)C3)cs1)c1cccc(Cl)c1 ZINC000016778709 560861467 /nfs/dbraw/zinc/86/14/67/560861467.db2.gz RVGNQCSYWFZNFY-BRRVFRNMSA-N 0 0 407.366 5.878 40 0 HKABRN O=c1nc2n(c3ccccc13)[C@H](c1ccccc1)[C@H](Sc1ccccc1)CS2 ZINC000016779189 558806614 /nfs/dbraw/zinc/80/66/14/558806614.db2.gz IFVWUTLPCSOGGZ-NHCUHLMSSA-N 0 0 402.544 5.253 40 0 HKABRN O=c1nc2n(c3ccccc13)[C@H](c1ccccc1)[C@@H](Sc1ccccc1)CS2 ZINC000016779191 558806680 /nfs/dbraw/zinc/80/66/80/558806680.db2.gz IFVWUTLPCSOGGZ-LEWJYISDSA-N 0 0 402.544 5.253 40 0 HKABRN O=c1nc2n(c3ccccc13)[C@@H](c1ccccc1)[C@H](Sc1ccccc1)CS2 ZINC000016779193 558806706 /nfs/dbraw/zinc/80/67/06/558806706.db2.gz IFVWUTLPCSOGGZ-RTWAWAEBSA-N 0 0 402.544 5.253 40 0 HKABRN O=c1nc2n(c3ccccc13)[C@@H](c1ccccc1)[C@@H](Sc1ccccc1)CS2 ZINC000016779195 558806704 /nfs/dbraw/zinc/80/67/04/558806704.db2.gz IFVWUTLPCSOGGZ-SFTDATJTSA-N 0 0 402.544 5.253 40 0 HKABRN Cc1ccc(S[C@@H]2CSc3nc(=O)c4ccccc4n3[C@@H]2c2ccccc2)cc1 ZINC000016779197 558806620 /nfs/dbraw/zinc/80/66/20/558806620.db2.gz YQXXHWROHMBPHM-FGZHOGPDSA-N 0 0 416.571 5.561 40 0 HKABRN Cc1ccc(S[C@H]2CSc3nc(=O)c4ccccc4n3[C@@H]2c2ccccc2)cc1 ZINC000016779199 558806633 /nfs/dbraw/zinc/80/66/33/558806633.db2.gz YQXXHWROHMBPHM-FCHUYYIVSA-N 0 0 416.571 5.561 40 0 HKABRN Cc1ccc(S[C@@H]2CSc3nc(=O)c4ccccc4n3[C@H]2c2ccccc2)cc1 ZINC000016779201 558806685 /nfs/dbraw/zinc/80/66/85/558806685.db2.gz YQXXHWROHMBPHM-YADHBBJMSA-N 0 0 416.571 5.561 40 0 HKABRN Cc1ccc(S[C@H]2CSc3nc(=O)c4ccccc4n3[C@H]2c2ccccc2)cc1 ZINC000016779203 558806711 /nfs/dbraw/zinc/80/67/11/558806711.db2.gz YQXXHWROHMBPHM-VXKWHMMOSA-N 0 0 416.571 5.561 40 0 HKABRN O=C1c2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=Nc3ccccc3N12 ZINC000016779499 558806697 /nfs/dbraw/zinc/80/66/97/558806697.db2.gz SLEFSIJOMDPOBV-NRFANRHFSA-N 0 0 403.279 5.675 40 0 HKABRN O=C1c2ccccc2[C@H]2CC(c3ccc(Br)cc3)=Nc3ccccc3N12 ZINC000016779501 558806656 /nfs/dbraw/zinc/80/66/56/558806656.db2.gz SLEFSIJOMDPOBV-OAQYLSRUSA-N 0 0 403.279 5.675 40 0 HKABRN COc1ccc(C(=O)Nc2cc(-n3c(C)c(C)c4ccccc43)c(O)c(C)c2C)cc1 ZINC000016779695 558806834 /nfs/dbraw/zinc/80/68/34/558806834.db2.gz CHMSLSUYBAIJRS-UHFFFAOYSA-N 0 0 414.505 5.831 40 0 HKABRN O=C(N1CCN(c2ccc(Cl)cc2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000016780227 558806833 /nfs/dbraw/zinc/80/68/33/558806833.db2.gz MEXVTMCATMGAPX-UHFFFAOYSA-N 0 0 421.953 5.885 40 0 HKABRN CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1Br ZINC000016780625 558806938 /nfs/dbraw/zinc/80/69/38/558806938.db2.gz MIYPTFBCXBPQEU-UHFFFAOYSA-N 0 0 412.349 5.080 40 0 HKABRN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccccc2)cc1 ZINC000016788704 558807054 /nfs/dbraw/zinc/80/70/54/558807054.db2.gz RVDYWTZUPARKBQ-UHFFFAOYSA-N 0 0 414.534 5.282 40 0 HKABRN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(F)cc1 ZINC000016788857 558807118 /nfs/dbraw/zinc/80/71/18/558807118.db2.gz HFQWUGHCHXFLLG-UHFFFAOYSA-N 0 0 423.900 5.702 40 0 HKABRN Clc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccccc2)cc1 ZINC000016788863 558807120 /nfs/dbraw/zinc/80/71/20/558807120.db2.gz MILQEQLLVOUQTR-UHFFFAOYSA-N 0 0 417.925 5.756 40 0 HKABRN COc1ccc(-n2c(SCc3c(F)cccc3F)nnc2-c2cccc(C)c2)cc1 ZINC000016788979 558807111 /nfs/dbraw/zinc/80/71/11/558807111.db2.gz SRSYIZARFBVBIS-UHFFFAOYSA-N 0 0 423.488 5.822 40 0 HKABRN COc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2cccc(C)c2)cc1 ZINC000016788985 558807058 /nfs/dbraw/zinc/80/70/58/558807058.db2.gz SZJRHKNNCNPEGR-UHFFFAOYSA-N 0 0 421.953 6.197 40 0 HKABRN Cc1ccc(-n2c(SCC(=O)C(C)(C)C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000016789101 558807091 /nfs/dbraw/zinc/80/70/91/558807091.db2.gz KBXGELMRBQSDJX-UHFFFAOYSA-N 0 0 421.610 6.248 40 0 HKABRN Cc1ccc(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)cc1 ZINC000016789183 558807097 /nfs/dbraw/zinc/80/70/97/558807097.db2.gz IOMUDGNZRIBLJY-UHFFFAOYSA-N 0 0 419.937 5.871 40 0 HKABRN Cc1ccc(C)c(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)c1 ZINC000016789195 558807030 /nfs/dbraw/zinc/80/70/30/558807030.db2.gz ZORNSUKGWIBNGX-UHFFFAOYSA-N 0 0 405.954 6.497 40 0 HKABRN Cc1ccc(-n2c(SCc3ccc(C)c(C)c3)nnc2-c2cccc(Cl)c2)cc1 ZINC000016789213 558807088 /nfs/dbraw/zinc/80/70/88/558807088.db2.gz QBRNBBCRESONDS-UHFFFAOYSA-N 0 0 419.981 6.805 40 0 HKABRN Cc1ccc(-n2c(COc3ccccc3)nnc2SCc2c(F)cccc2F)cc1 ZINC000016789244 558807025 /nfs/dbraw/zinc/80/70/25/558807025.db2.gz BVBUDYMBEDAWPZ-UHFFFAOYSA-N 0 0 423.488 5.725 40 0 HKABRN Cc1ccc(OCc2nnc(SCc3c(F)cccc3F)n2-c2ccccc2)cc1 ZINC000016789308 558807099 /nfs/dbraw/zinc/80/70/99/558807099.db2.gz OCDGWLWRICTXQX-UHFFFAOYSA-N 0 0 423.488 5.725 40 0 HKABRN Cc1ccc(OCc2nnc(SCc3cc(C)ccc3C)n2-c2ccccc2)cc1 ZINC000016789356 558807084 /nfs/dbraw/zinc/80/70/84/558807084.db2.gz APELXHIZXVRQJC-UHFFFAOYSA-N 0 0 415.562 6.064 40 0 HKABRN Cc1ccc(-n2c(SCC(=O)c3ccccc3Cl)nnc2-c2ccncc2)cc1 ZINC000016789438 558807115 /nfs/dbraw/zinc/80/71/15/558807115.db2.gz CKWXALNYBXPHOM-UHFFFAOYSA-N 0 0 420.925 5.266 40 0 HKABRN Cc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1C ZINC000016789440 558807020 /nfs/dbraw/zinc/80/70/20/558807020.db2.gz MDXICEWBISFASG-UHFFFAOYSA-N 0 0 406.942 5.892 40 0 HKABRN Clc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2cccnc2)cc1 ZINC000016789454 558807062 /nfs/dbraw/zinc/80/70/62/558807062.db2.gz NPCNDETZUYMQLQ-UHFFFAOYSA-N 0 0 418.913 5.151 40 0 HKABRN Cc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2ccccn2)cc1 ZINC000016789483 558807071 /nfs/dbraw/zinc/80/70/71/558807071.db2.gz AOEFANYKKGWGJO-UHFFFAOYSA-N 0 0 414.578 6.228 40 0 HKABRN Clc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccccn2)cc1 ZINC000016789505 558807106 /nfs/dbraw/zinc/80/71/06/558807106.db2.gz WWJFJAVLDAVTAQ-UHFFFAOYSA-N 0 0 418.913 5.151 40 0 HKABRN Cc1ccc(-n2c(Cc3cccs3)nnc2SCc2c(F)cccc2F)cc1 ZINC000016789599 558807264 /nfs/dbraw/zinc/80/72/64/558807264.db2.gz YBJATJJRZJIPOD-UHFFFAOYSA-N 0 0 413.518 5.799 40 0 HKABRN Cc1c(-c2ccccc2)c(C(=S)NC(=O)c2ccccc2)c2n(C)c3ccccc3n12 ZINC000016806057 558807538 /nfs/dbraw/zinc/80/75/38/558807538.db2.gz CWPCTBASCGLODH-UHFFFAOYSA-N 0 0 423.541 5.512 40 0 HKABRN CCCCCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016806740 558807671 /nfs/dbraw/zinc/80/76/71/558807671.db2.gz ZYUIMKKOKGHIMT-UHFFFAOYSA-N 0 0 407.970 7.023 40 0 HKABRN CCCC(=O)n1c(CC)nc2c1SC(c1ccc(C)c(C)c1)=NN2C(=O)CCC ZINC000016806956 569263258 /nfs/dbraw/zinc/26/32/58/569263258.db2.gz UFDZLZGMHCXJCT-UHFFFAOYSA-N 0 0 412.559 5.103 40 0 HKABRN CCC(=O)n1c(C2CCCCC2)nc2c1SC(c1ccc(C)cc1)=NN2C(=O)CC ZINC000016807182 569263295 /nfs/dbraw/zinc/26/32/95/569263295.db2.gz RVAWBQDUGZTEBZ-UHFFFAOYSA-N 0 0 424.570 5.500 40 0 HKABRN Nc1c(C(=O)Nc2ccccc2C(F)(F)F)c2ccccc2n1C(=O)c1ccccc1 ZINC000016807304 569263391 /nfs/dbraw/zinc/26/33/91/569263391.db2.gz LEVOCJOGPBJTJO-UHFFFAOYSA-N 0 0 423.394 5.183 40 0 HKABRN O=C(Sc1nc2ccccc2nc1SC(=O)c1ccccc1)c1ccccc1 ZINC000016807318 569046430 /nfs/dbraw/zinc/04/64/30/569046430.db2.gz ZJNAHJPSWRFBDC-UHFFFAOYSA-N 0 0 402.500 5.495 40 0 HKABRN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(NS(=O)(=O)c3ccccc3)cc21 ZINC000016807614 558807755 /nfs/dbraw/zinc/80/77/55/558807755.db2.gz SMNJOVCVARIDLU-UHFFFAOYSA-N 0 0 418.518 5.251 40 0 HKABRN Cc1cccc(-c2nnc(SCC(=O)c3ccccc3)n2-c2ccc(Cl)cc2)c1 ZINC000016807874 558807746 /nfs/dbraw/zinc/80/77/46/558807746.db2.gz WGDCOGPJIOBLEM-UHFFFAOYSA-N 0 0 419.937 5.871 40 0 HKABRN Cc1ccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 ZINC000016807906 558807783 /nfs/dbraw/zinc/80/77/83/558807783.db2.gz DQPUJNRIIPJRMX-UHFFFAOYSA-N 0 0 413.590 6.833 40 0 HKABRN c1ccc(/N=c2\n(-c3ccccc3)nc(Nc3ccccc3)n2-c2ccccc2)cc1 ZINC000016889955 558808730 /nfs/dbraw/zinc/80/87/30/558808730.db2.gz STYFIGFBSHZRBK-SGEDCAFJSA-N 0 0 403.489 5.639 40 0 HKABRN CCOC(=O)[C@@H](Sc1ccc(C)cc1)[C@@H](Sc1ccc(C)cc1)C(=O)OCC ZINC000016891768 558808953 /nfs/dbraw/zinc/80/89/53/558808953.db2.gz QVALTQGQDJPNDF-BGYRXZFFSA-N 0 0 418.580 5.051 40 0 HKABRN Cc1cccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1C ZINC000016902452 558809012 /nfs/dbraw/zinc/80/90/12/558809012.db2.gz RPWDMSSRLTZPSW-FQEVSTJZSA-N 0 0 419.569 5.237 40 0 HKABRN Cc1cccc(OCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1C ZINC000016902454 558809018 /nfs/dbraw/zinc/80/90/18/558809018.db2.gz RPWDMSSRLTZPSW-HXUWFJFHSA-N 0 0 419.569 5.237 40 0 HKABRN Cc1ccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)c(C)c1 ZINC000016902455 558809029 /nfs/dbraw/zinc/80/90/29/558809029.db2.gz ABSMKSGGZAISKK-FQEVSTJZSA-N 0 0 419.569 5.237 40 0 HKABRN Cc1ccc(OCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c(C)c1 ZINC000016902457 558809041 /nfs/dbraw/zinc/80/90/41/558809041.db2.gz ABSMKSGGZAISKK-HXUWFJFHSA-N 0 0 419.569 5.237 40 0 HKABRN N[C@H](Cc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000016920115 558809179 /nfs/dbraw/zinc/80/91/79/558809179.db2.gz NDLKVNXPSRMINB-MRVPVSSYSA-N 0 0 413.515 5.429 40 0 HKABRN CC(C)/C=C(\CC(C)C)[C@@H](CCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000016924576 558809356 /nfs/dbraw/zinc/80/93/56/558809356.db2.gz LQBSZMAAJNMYFL-FGNRIPBJSA-N 0 0 406.570 6.289 40 0 HKABRN CC(C)/C=C(\CC(C)C)[C@H](CCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000016924579 558809411 /nfs/dbraw/zinc/80/94/11/558809411.db2.gz LQBSZMAAJNMYFL-QZPFXSPMSA-N 0 0 406.570 6.289 40 0 HKABRN [NH3+][C@H](CSC1(c2cccc3ccccc32)c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000016924756 558809384 /nfs/dbraw/zinc/80/93/84/558809384.db2.gz MLVVICBYRJUQFB-XMMPIXPASA-N 0 0 411.526 5.257 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=S)Nc2cccc(Br)c2)cc1OCC ZINC000016943752 558809641 /nfs/dbraw/zinc/80/96/41/558809641.db2.gz IYRGODWFXMEZHH-CYBMUJFWSA-N 0 0 423.376 5.294 40 0 HKABRN CCOc1ccc([C@H](C)NC(=S)Nc2cccc(Br)c2)cc1OCC ZINC000016943756 558809666 /nfs/dbraw/zinc/80/96/66/558809666.db2.gz IYRGODWFXMEZHH-ZDUSSCGKSA-N 0 0 423.376 5.294 40 0 HKABRN CCOC(=O)/C(=C\c1ccc(OCc2ccccc2)cc1)P(=O)(OCC)OCC ZINC000016951452 558809677 /nfs/dbraw/zinc/80/96/77/558809677.db2.gz PINJHIYMAJUHJH-LTGZKZEYSA-N 0 0 418.426 5.436 40 0 HKABRN CCCCCC[C@H](O)C/C=C/CCCCCCc1c(=O)[nH]c(=S)[nH]c1C(=O)OC ZINC000016952838 558809826 /nfs/dbraw/zinc/80/98/26/558809826.db2.gz VMPUSPLQIAFVDX-KQPPXVQYSA-N 0 0 424.607 5.402 40 0 HKABRN O=C(c1ccccc1)[C@H]1[C@@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000016952960 558809815 /nfs/dbraw/zinc/80/98/15/558809815.db2.gz WCTIPYXJFUKGBD-LAJGZZDBSA-N 0 0 416.520 6.566 40 0 HKABRN Cc1ccc(C[C@@](O)(CC(O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1C ZINC000016954187 558809797 /nfs/dbraw/zinc/80/97/97/558809797.db2.gz CIEXEEJFTYKRAH-GDLZYMKVSA-N 0 0 422.568 6.060 40 0 HKABRN S=C1N=C2C(=Cc3ccc(Cl)cc3)CSCC2[C@@H](c2ccc(Cl)cc2)N1 ZINC000016958668 558810419 /nfs/dbraw/zinc/81/04/19/558810419.db2.gz CQMQYXXDMVGBTN-MOVXZBDNSA-N 0 0 419.402 5.597 40 0 HKABRN O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(/Br)SCc1ccccc1 ZINC000016958812 558810369 /nfs/dbraw/zinc/81/03/69/558810369.db2.gz SQFBMGHDLVIEFP-KTKRTIGZSA-N 0 0 403.512 5.646 40 0 HKABRN CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1cccc(C)c1 ZINC000016959505 569345107 /nfs/dbraw/zinc/34/51/07/569345107.db2.gz LPSZUDLPBVEVIY-UHFFFAOYSA-N 0 0 402.523 5.157 40 0 HKABRN C[C@@H](COc1ccc(Cl)cc1Cl)OC(=O)COc1ccc(Cl)cc1Cl ZINC000016969161 558810759 /nfs/dbraw/zinc/81/07/59/558810759.db2.gz RHTAFHUHZANICM-JTQLQIEISA-N 0 0 424.107 5.690 40 0 HKABRN O=C(C[C@H](c1ccccc1)c1cccc2ccccc21)c1ccc(Br)cc1 ZINC000016971018 558810747 /nfs/dbraw/zinc/81/07/47/558810747.db2.gz DZSMNBIDMCHTGR-XMMPIXPASA-N 0 0 415.330 7.007 40 0 HKABRN O=C(C[C@H](c1ccc(Br)cc1)c1cccc2ccccc21)c1ccccc1 ZINC000016971023 560686337 /nfs/dbraw/zinc/68/63/37/560686337.db2.gz NJBQUFWYVBXQIC-XMMPIXPASA-N 0 0 415.330 7.007 40 0 HKABRN OC(C[C@H](c1ccccc1)c1cccc2ccccc21)(c1ccccc1)c1ccccc1 ZINC000016971039 571314189 /nfs/dbraw/zinc/31/41/89/571314189.db2.gz AVGLOPSEIIZSCL-SSEXGKCCSA-N 0 0 414.548 7.298 40 0 HKABRN CO[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 ZINC000017003635 558811444 /nfs/dbraw/zinc/81/14/44/558811444.db2.gz DSVYQBSADVVKNY-VXKXQDQMSA-N 0 0 400.691 7.733 40 0 HKABRN CCO[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 ZINC000017014311 569345109 /nfs/dbraw/zinc/34/51/09/569345109.db2.gz HVJCKZFYZWPQOO-IOBIFIASSA-N 0 0 414.718 8.433 40 0 HKABRN CC(C)CC(CC(C)C)C(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)C(CC(C)C)CC(C)C ZINC000017021723 558812094 /nfs/dbraw/zinc/81/20/94/558812094.db2.gz VKJGXDCZAZVSBQ-KIHHCIJBSA-N 0 0 406.651 6.335 40 0 HKABRN CCCCOP(=O)(OCCCC)O/C(C)=C(\C)OP(=O)(OCC)OCC ZINC000017021739 558812001 /nfs/dbraw/zinc/81/20/01/558812001.db2.gz NQXSXENOCUAGCU-FOCLMDBBSA-N 0 0 416.388 6.194 40 0 HKABRN CCCCOP(=O)(OCCCC)O/C(C)=C(/C)OP(=O)(OCC)OCC ZINC000017021741 558811986 /nfs/dbraw/zinc/81/19/86/558811986.db2.gz NQXSXENOCUAGCU-NXVVXOECSA-N 0 0 416.388 6.194 40 0 HKABRN Nc1nc(=O)n(CCCCCCc2ccccc2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000017039847 558812463 /nfs/dbraw/zinc/81/24/63/558812463.db2.gz GRAQORCFGXAUPA-UHFFFAOYSA-N 0 0 416.352 5.602 40 0 HKABRN O=C1[C@@]2(c3ccccc3)CC[C@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 ZINC000017045087 558812971 /nfs/dbraw/zinc/81/29/71/558812971.db2.gz KBHZYJSOIZMZOX-QRRGNZNSSA-N 0 0 412.532 6.850 40 0 HKABRN C(=C\c1ccc(-c2nc3ccccc3o2)cc1)\c1ccc(-c2nc3ccccc3o2)cc1 ZINC000017060393 558813509 /nfs/dbraw/zinc/81/35/09/558813509.db2.gz ORACIQIJMCYPHQ-KTKRTIGZSA-N 0 0 414.464 7.473 40 0 HKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(C)c(C)c1 ZINC000017081893 560861955 /nfs/dbraw/zinc/86/19/55/560861955.db2.gz BJEKJCOKTZPSJS-UHFFFAOYSA-N 0 0 400.478 5.989 40 0 HKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000017081897 560861949 /nfs/dbraw/zinc/86/19/49/560861949.db2.gz KNPGWJNCJISUSN-QGZVFWFLSA-N 0 0 400.478 6.026 40 0 HKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000017081898 560861968 /nfs/dbraw/zinc/86/19/68/560861968.db2.gz KNPGWJNCJISUSN-KRWDZBQOSA-N 0 0 400.478 6.026 40 0 HKABRN CCCC1=Nc2nc3ccccc3n2[C@H](c2c[nH]c3ccccc32)C1C(=O)OCC ZINC000017081905 560861952 /nfs/dbraw/zinc/86/19/52/560861952.db2.gz JUZQVHAZMKOLLQ-JOCHJYFZSA-N 0 0 400.482 5.150 40 0 HKABRN CCCC1=Nc2nc3ccccc3n2[C@@H](c2c[nH]c3ccccc32)C1C(=O)OCC ZINC000017081906 560861963 /nfs/dbraw/zinc/86/19/63/560861963.db2.gz JUZQVHAZMKOLLQ-QFIPXVFZSA-N 0 0 400.482 5.150 40 0 HKABRN CCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000017082012 560861948 /nfs/dbraw/zinc/86/19/48/560861948.db2.gz KIXVOAFBKHFADQ-UHFFFAOYSA-N 0 0 400.522 6.051 40 0 HKABRN Fc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3Cl)n2)cc1 ZINC000017082128 559122607 /nfs/dbraw/zinc/12/26/07/559122607.db2.gz WYOACRGCFJWLQO-UHFFFAOYSA-N 0 0 401.243 6.791 40 0 HKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)c1 ZINC000017082232 560862016 /nfs/dbraw/zinc/86/20/16/560862016.db2.gz SLZOPTHVWNRXQR-UHFFFAOYSA-N 0 0 401.491 5.238 40 0 HKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 ZINC000017082233 560862023 /nfs/dbraw/zinc/86/20/23/560862023.db2.gz GRLUNTIJPBXTKO-UHFFFAOYSA-N 0 0 401.491 5.238 40 0 HKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)c1 ZINC000017082309 560862047 /nfs/dbraw/zinc/86/20/47/560862047.db2.gz GEROVNCDCBWNKG-UHFFFAOYSA-N 0 0 401.963 5.074 40 0 HKABRN CC[C@@H](C)c1ccc([C@@H](CC)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000017082310 560862139 /nfs/dbraw/zinc/86/21/39/560862139.db2.gz ZSUHTMILDZBVAM-YBOAYWMSSA-N 0 0 401.978 6.505 40 0 HKABRN CC[C@@H](C)c1ccc([C@H](CC)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000017082312 560862160 /nfs/dbraw/zinc/86/21/60/560862160.db2.gz ZSUHTMILDZBVAM-LDJQZATESA-N 0 0 401.978 6.505 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000017082326 560862150 /nfs/dbraw/zinc/86/21/50/560862150.db2.gz HTQSJARUBBMYEE-JXMROGBWSA-N 0 0 402.277 6.222 40 0 HKABRN COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1 ZINC000017082381 558814464 /nfs/dbraw/zinc/81/44/64/558814464.db2.gz AOIDLFOMTLRIQK-UHFFFAOYSA-N 0 0 402.450 5.381 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3OC(F)F)o2)cc1Cl ZINC000017082759 560862248 /nfs/dbraw/zinc/86/22/48/560862248.db2.gz VNAYRLJTKDRDBF-PKNBQFBNSA-N 0 0 403.812 6.162 40 0 HKABRN CCCCC(=O)NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000017082790 560862325 /nfs/dbraw/zinc/86/23/25/560862325.db2.gz QJCOQOGULZCTOS-UHFFFAOYSA-N 0 0 403.960 5.620 40 0 HKABRN CC(C)(C)C(=O)NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000017082791 560862276 /nfs/dbraw/zinc/86/22/76/560862276.db2.gz KZRBSQVSODTZEU-UHFFFAOYSA-N 0 0 403.960 5.476 40 0 HKABRN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1c(F)c(F)c(F)c(F)c1F ZINC000017082809 558815138 /nfs/dbraw/zinc/81/51/38/558815138.db2.gz PJRDBMDXNNPMOM-UHFFFAOYSA-N 0 0 404.294 5.443 40 0 HKABRN O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1c(F)c(F)c(F)c(F)c1F ZINC000017082810 558815146 /nfs/dbraw/zinc/81/51/46/558815146.db2.gz PMQOIMLDLFEHBT-UHFFFAOYSA-N 0 0 404.294 5.443 40 0 HKABRN COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3ccccc3s2)ccc1C ZINC000017082878 558815195 /nfs/dbraw/zinc/81/51/95/558815195.db2.gz CKHCIAOSGNSFBR-UHFFFAOYSA-N 0 0 404.491 5.541 40 0 HKABRN COc1ccccc1-c1nn(-c2ccc(C)cc2)c(-c2ccccc2OC)c1Cl ZINC000017083070 559122634 /nfs/dbraw/zinc/12/26/34/559122634.db2.gz UDJINVSSTPGCMY-UHFFFAOYSA-N 0 0 404.897 6.185 40 0 HKABRN Cc1ccc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1C ZINC000017083126 560862273 /nfs/dbraw/zinc/86/22/73/560862273.db2.gz OYDYVSBPDKPVQF-UHFFFAOYSA-N 0 0 405.277 5.992 40 0 HKABRN Cc1cccc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)c1C ZINC000017083127 560862322 /nfs/dbraw/zinc/86/23/22/560862322.db2.gz DHKSQCSSFZMVAF-UHFFFAOYSA-N 0 0 405.277 5.992 40 0 HKABRN Fc1ccc2[nH]cc(CCNC(=S)Nc3ccc(Oc4ccccc4)cc3)c2c1 ZINC000017083178 560862364 /nfs/dbraw/zinc/86/23/64/560862364.db2.gz VBLPUJCAMBMXLO-UHFFFAOYSA-N 0 0 405.498 5.628 40 0 HKABRN CCc1nn2c(c1-c1ccc(OC)cc1)N=C(C)C[C@@H]2c1ccc(OC)c(OC)c1 ZINC000017083180 560862389 /nfs/dbraw/zinc/86/23/89/560862389.db2.gz GDNHACTWVSVDFA-HXUWFJFHSA-N 0 0 405.498 5.224 40 0 HKABRN CCc1nn2c(c1-c1ccc(OC)cc1)N=C(C)C[C@H]2c1ccc(OC)c(OC)c1 ZINC000017083181 560862340 /nfs/dbraw/zinc/86/23/40/560862340.db2.gz GDNHACTWVSVDFA-FQEVSTJZSA-N 0 0 405.498 5.224 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4oc(=O)ccc4c3)o2)cc1Cl ZINC000017083273 560862395 /nfs/dbraw/zinc/86/23/95/560862395.db2.gz JWFPDROWEILUBC-JXMROGBWSA-N 0 0 405.837 5.667 40 0 HKABRN CN1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2Cl)CC1 ZINC000017083291 560862356 /nfs/dbraw/zinc/86/23/56/560862356.db2.gz XNPKAXOTAPRIRM-UHFFFAOYSA-N 0 0 405.929 5.011 40 0 HKABRN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)C(Cl)(Cl)Cl ZINC000017083300 560862374 /nfs/dbraw/zinc/86/23/74/560862374.db2.gz AQVLPVSQPWMTQS-UHFFFAOYSA-N 0 0 406.121 5.925 40 0 HKABRN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)C(Cl)(Cl)Cl ZINC000017083301 560862333 /nfs/dbraw/zinc/86/23/33/560862333.db2.gz ZSXPVLMXCHOKCM-UHFFFAOYSA-N 0 0 406.121 5.925 40 0 HKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc2ccccc2c1 ZINC000017083318 560862391 /nfs/dbraw/zinc/86/23/91/560862391.db2.gz WJOVLBFGEKUPAX-UHFFFAOYSA-N 0 0 406.279 6.016 40 0 HKABRN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(Br)c1 ZINC000017083319 560862335 /nfs/dbraw/zinc/86/23/35/560862335.db2.gz JZYQOWPVTZFXNA-UHFFFAOYSA-N 0 0 406.283 5.553 40 0 HKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Br)cc1F ZINC000017083330 560862493 /nfs/dbraw/zinc/86/24/93/560862493.db2.gz JFCOMCRENFUGMO-UHFFFAOYSA-N 0 0 406.295 5.653 40 0 HKABRN COc1c(C)cc(Br)cc1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000017083360 560862512 /nfs/dbraw/zinc/86/25/12/560862512.db2.gz RAWQJIKISXVSGE-JHMRYYBSSA-N 0 0 406.364 5.101 40 0 HKABRN COc1c(C)cc(Br)cc1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000017083361 560862508 /nfs/dbraw/zinc/86/25/08/560862508.db2.gz RAWQJIKISXVSGE-BUBBNXEVSA-N 0 0 406.364 5.101 40 0 HKABRN Cc1ccccc1CN1c2ccccc2[C@](O)(CC(=O)c2ccc3ccccc3c2)C1=O ZINC000017083446 560862520 /nfs/dbraw/zinc/86/25/20/560862520.db2.gz FSESELFNBHENJU-MUUNZHRXSA-N 0 0 421.496 5.156 40 0 HKABRN Cc1ccccc1CN1c2ccccc2[C@@](O)(CC(=O)c2ccc3ccccc3c2)C1=O ZINC000017083447 560862491 /nfs/dbraw/zinc/86/24/91/560862491.db2.gz FSESELFNBHENJU-NDEPHWFRSA-N 0 0 421.496 5.156 40 0 HKABRN O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000017086159 558816014 /nfs/dbraw/zinc/81/60/14/558816014.db2.gz YSABSRNDFJSLBO-CIAFOILYSA-N 0 0 424.283 5.917 40 0 HKABRN Cc1ccccc1C1=N/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)O1 ZINC000017086161 558816021 /nfs/dbraw/zinc/81/60/21/558816021.db2.gz QEFWIVYUUDFBJA-HYARGMPZSA-N 0 0 403.865 5.572 40 0 HKABRN Cc1ccc(C(=O)Oc2ccc(/C=C3/N=C(c4cccc(Cl)c4)OC3=O)cc2)cc1 ZINC000017086170 558816066 /nfs/dbraw/zinc/81/60/66/558816066.db2.gz QSOPBZLEADEGMC-FYJGNVAPSA-N 0 0 417.848 5.212 40 0 HKABRN Cc1ccc(-c2ccc(/C=C3/N=C(c4ccc(C(C)(C)C)cc4)OC3=O)o2)cc1Cl ZINC000017086212 558816011 /nfs/dbraw/zinc/81/60/11/558816011.db2.gz FCIVICVKCYZGBK-KGENOOAVSA-N 0 0 419.908 6.550 40 0 HKABRN Cc1cccc(C2=N/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C(=O)O2)c1 ZINC000017086217 569273272 /nfs/dbraw/zinc/27/32/72/569273272.db2.gz RHMSYGSBMUTBJA-LDADJPATSA-N 0 0 408.251 5.362 40 0 HKABRN FC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc2cc(-c3ccccc3)nn21 ZINC000017086345 558816075 /nfs/dbraw/zinc/81/60/75/558816075.db2.gz CQQJSGGQKOBUHP-UHFFFAOYSA-N 0 0 408.210 6.389 40 0 HKABRN FC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(-c3ccccc3)cnn21 ZINC000017086346 558816015 /nfs/dbraw/zinc/81/60/15/558816015.db2.gz UMZMSHABKMFHJL-UHFFFAOYSA-N 0 0 408.210 6.389 40 0 HKABRN O=C(Nc1ccc(NC(=O)c2cccc3ccccc32)cc1)c1cc2ccccc2o1 ZINC000017087308 560862519 /nfs/dbraw/zinc/86/25/19/560862519.db2.gz ONCNPMWVHWUCCB-UHFFFAOYSA-N 0 0 406.441 6.091 40 0 HKABRN Cc1ccc(-c2cc(-c3ccc(C)cc3)n(Cc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000017087317 559122638 /nfs/dbraw/zinc/12/26/38/559122638.db2.gz ALYVMNOGSUZOSS-UHFFFAOYSA-N 0 0 406.451 6.901 40 0 HKABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc4ccccc4c3)c2C(N)=O)C1 ZINC000017087471 560862582 /nfs/dbraw/zinc/86/25/82/560862582.db2.gz WVNDJJDQAPUTNA-QGZVFWFLSA-N 0 0 406.551 5.404 40 0 HKABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc4ccccc4c3)c2C(N)=O)C1 ZINC000017087472 560862570 /nfs/dbraw/zinc/86/25/70/560862570.db2.gz WVNDJJDQAPUTNA-KRWDZBQOSA-N 0 0 406.551 5.404 40 0 HKABRN C[C@@H]1CCCCN1c1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 ZINC000017087485 560862578 /nfs/dbraw/zinc/86/25/78/560862578.db2.gz MUPWRQHYBCJUAF-HXUWFJFHSA-N 0 0 406.570 6.131 40 0 HKABRN C[C@H]1CCCCN1c1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 ZINC000017087486 560862580 /nfs/dbraw/zinc/86/25/80/560862580.db2.gz MUPWRQHYBCJUAF-FQEVSTJZSA-N 0 0 406.570 6.131 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1Cl ZINC000017087491 560862561 /nfs/dbraw/zinc/86/25/61/560862561.db2.gz KHUGUPCDKUVZQS-FNORWQNLSA-N 0 0 406.696 6.867 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017087492 560862576 /nfs/dbraw/zinc/86/25/76/560862576.db2.gz GOCBLBGMNLSZCK-RMKNXTFCSA-N 0 0 406.696 6.867 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(Cl)c3Cl)o2)cc1Cl ZINC000017087493 560862559 /nfs/dbraw/zinc/86/25/59/560862559.db2.gz WEVNRVCIVGYNMR-CSKARUKUSA-N 0 0 406.696 6.867 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000017087494 560862594 /nfs/dbraw/zinc/86/25/94/560862594.db2.gz WNTSPODTFRNBGU-FNORWQNLSA-N 0 0 406.696 6.867 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000017087495 560862557 /nfs/dbraw/zinc/86/25/57/560862557.db2.gz OKVYFQROLKVZNI-SOFGYWHQSA-N 0 0 406.696 6.867 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017087496 560862588 /nfs/dbraw/zinc/86/25/88/560862588.db2.gz YJFVIZYEWQVDTG-JXMROGBWSA-N 0 0 406.696 6.867 40 0 HKABRN Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1Cl ZINC000017087497 560862572 /nfs/dbraw/zinc/86/25/72/560862572.db2.gz VWFXIAIZZBAVGL-RMKNXTFCSA-N 0 0 406.696 6.867 40 0 HKABRN Cc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1Cl ZINC000017087498 560862565 /nfs/dbraw/zinc/86/25/65/560862565.db2.gz SCUDTFPUGBBORR-FNORWQNLSA-N 0 0 406.696 6.867 40 0 HKABRN COc1c(C)cccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(C)cc3o2)c1 ZINC000017087530 560862673 /nfs/dbraw/zinc/86/26/73/560862673.db2.gz WBYIMEYGHHNRQA-UHFFFAOYSA-N 0 0 406.869 6.026 40 0 HKABRN Cc1cc(Cl)ccc1OCC(=O)NCc1ccc(-c2nc3ccccc3o2)cc1 ZINC000017087531 560862663 /nfs/dbraw/zinc/86/26/63/560862663.db2.gz JKRURNRYRAOIIL-UHFFFAOYSA-N 0 0 406.869 5.152 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)cc1 ZINC000017087532 560862645 /nfs/dbraw/zinc/86/26/45/560862645.db2.gz MVNINYLFFGGMKC-UHFFFAOYSA-N 0 0 406.869 5.783 40 0 HKABRN COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccc(C)c(Cl)c3)nc2c1 ZINC000017087533 560862649 /nfs/dbraw/zinc/86/26/49/560862649.db2.gz LSZIKTGMKROIFB-UHFFFAOYSA-N 0 0 406.869 6.026 40 0 HKABRN COc1ccc(Cl)cc1C(=O)Nc1ccc2oc(-c3cc(C)cc(C)c3)nc2c1 ZINC000017087534 560862632 /nfs/dbraw/zinc/86/26/32/560862632.db2.gz PHAOAYKSVAQTBX-UHFFFAOYSA-N 0 0 406.869 6.026 40 0 HKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000017087535 560862669 /nfs/dbraw/zinc/86/26/69/560862669.db2.gz QEKKBMBPGAQKNG-UHFFFAOYSA-N 0 0 406.869 6.026 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3o2)c(C)c1 ZINC000017087536 560862636 /nfs/dbraw/zinc/86/26/36/560862636.db2.gz SGATUXNGLLQTRV-UHFFFAOYSA-N 0 0 406.869 5.783 40 0 HKABRN COc1cc(NC(=O)/C=C/c2ccccc2)ccc1NC(=O)c1ccccc1Cl ZINC000017087539 560862639 /nfs/dbraw/zinc/86/26/39/560862639.db2.gz HLEYECQNYGBAPO-SDNWHVSQSA-N 0 0 406.869 5.253 40 0 HKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cccc(Cl)c1 ZINC000017087540 560862637 /nfs/dbraw/zinc/86/26/37/560862637.db2.gz WXLUERCWQQJEOG-UHFFFAOYSA-N 0 0 406.869 6.026 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3o2)c1 ZINC000017087541 560862653 /nfs/dbraw/zinc/86/26/53/560862653.db2.gz PNGFDKJCWWANMX-UHFFFAOYSA-N 0 0 406.869 5.783 40 0 HKABRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1cccc2c(Cl)cccc12 ZINC000017087565 560862652 /nfs/dbraw/zinc/86/26/52/560862652.db2.gz KGRQDBSWFSGADD-UHFFFAOYSA-N 0 0 406.894 5.479 40 0 HKABRN O=C(NC(=S)Nc1c(O)ccc2ccccc21)c1cccc2c(Cl)cccc12 ZINC000017087566 560862666 /nfs/dbraw/zinc/86/26/66/560862666.db2.gz GSZVARAHNCABGS-UHFFFAOYSA-N 0 0 406.894 5.479 40 0 HKABRN O=C(Nc1cccc(NC(=O)c2cccc3c(Cl)cccc23)c1)c1cccs1 ZINC000017087567 560862665 /nfs/dbraw/zinc/86/26/65/560862665.db2.gz ALIZACNZNXDNPP-UHFFFAOYSA-N 0 0 406.894 6.059 40 0 HKABRN O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccccc1 ZINC000017087570 560862638 /nfs/dbraw/zinc/86/26/38/560862638.db2.gz GQXXYMYXLYWJMX-UHFFFAOYSA-N 0 0 406.898 5.010 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCCC4)cc3)o2)cc1Cl ZINC000017087576 560862647 /nfs/dbraw/zinc/86/26/47/560862647.db2.gz LBGBTJRBSKBYJB-ACCUITESSA-N 0 0 406.913 6.161 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3N3CCCC3)o2)cc1Cl ZINC000017087577 560862670 /nfs/dbraw/zinc/86/26/70/560862670.db2.gz DQHINDCJBDVZBW-ACCUITESSA-N 0 0 406.913 6.161 40 0 HKABRN Cc1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1Cl ZINC000017087591 560862774 /nfs/dbraw/zinc/86/27/74/560862774.db2.gz FGEMSAAGYYOWMW-UHFFFAOYSA-N 0 0 407.124 6.243 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl ZINC000017087592 560862771 /nfs/dbraw/zinc/86/27/71/560862771.db2.gz PCOYTHZMHDMCJB-UHFFFAOYSA-N 0 0 407.124 6.243 40 0 HKABRN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl ZINC000017087597 560862772 /nfs/dbraw/zinc/86/27/72/560862772.db2.gz AKELJICJNLCRMX-UHFFFAOYSA-N 0 0 407.244 5.068 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1Cl ZINC000017087598 560862764 /nfs/dbraw/zinc/86/27/64/560862764.db2.gz DTLKANZEUZSWKG-UHFFFAOYSA-N 0 0 407.244 5.447 40 0 HKABRN O=C(Nc1nc2ccc(F)cc2s1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017087599 560862779 /nfs/dbraw/zinc/86/27/79/560862779.db2.gz VXYKDFFYGFTZMR-UHFFFAOYSA-N 0 0 407.253 6.255 40 0 HKABRN O=Cc1cn(CC(=O)Nc2cccc3ccccc32)c2ccc(Br)cc12 ZINC000017087600 560862757 /nfs/dbraw/zinc/86/27/57/560862757.db2.gz LYSLOXINWOLDKB-UHFFFAOYSA-N 0 0 407.267 5.008 40 0 HKABRN O=Cc1cn(CC(=O)Nc2ccc3ccccc3c2)c2ccc(Br)cc12 ZINC000017087601 560862775 /nfs/dbraw/zinc/86/27/75/560862775.db2.gz XFQYTCQJGZXDGP-UHFFFAOYSA-N 0 0 407.267 5.008 40 0 HKABRN O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(Br)c1 ZINC000017087602 560862752 /nfs/dbraw/zinc/86/27/52/560862752.db2.gz IYUARUCTRPOMHO-UHFFFAOYSA-N 0 0 407.267 5.187 40 0 HKABRN O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Br)cc1 ZINC000017087603 560862767 /nfs/dbraw/zinc/86/27/67/560862767.db2.gz PIZVEFIIJNTRRA-UHFFFAOYSA-N 0 0 407.267 5.187 40 0 HKABRN O=C(NC(=S)Nc1ccccc1O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000017087605 560862754 /nfs/dbraw/zinc/86/27/54/560862754.db2.gz HPJRECOXQUAEBI-UHFFFAOYSA-N 0 0 407.278 5.086 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc2c(cc(C)cc2C)s1 ZINC000017087609 560862759 /nfs/dbraw/zinc/86/27/59/560862759.db2.gz QEBCRHAPVWVJKI-SNAWJCMRSA-N 0 0 407.322 5.880 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc2c(s1)c(C)ccc2C ZINC000017087610 560862751 /nfs/dbraw/zinc/86/27/51/560862751.db2.gz PHIQUSCYMMOJQY-VOTSOKGWSA-N 0 0 407.322 5.880 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)ccc1Cl ZINC000017087624 558816475 /nfs/dbraw/zinc/81/64/75/558816475.db2.gz MQUJNDJMXSMTOA-UHFFFAOYSA-N 0 0 407.341 5.556 40 0 HKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000017087625 132465178 /nfs/dbraw/zinc/46/51/78/132465178.db2.gz CIXWBXUUKZYBCU-UHFFFAOYSA-N 0 0 407.341 5.556 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1Cl ZINC000017087626 560862773 /nfs/dbraw/zinc/86/27/73/560862773.db2.gz DVQKWSMAFYXAFD-UHFFFAOYSA-N 0 0 407.341 5.881 40 0 HKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 ZINC000017087627 560862762 /nfs/dbraw/zinc/86/27/62/560862762.db2.gz RJQXEDHGUKIIPC-HUUCEWRRSA-N 0 0 407.341 5.778 40 0 HKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1 ZINC000017087628 560862760 /nfs/dbraw/zinc/86/27/60/560862760.db2.gz RJQXEDHGUKIIPC-LSDHHAIUSA-N 0 0 407.341 5.778 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1N1CCCCC1 ZINC000017087629 560862756 /nfs/dbraw/zinc/86/27/56/560862756.db2.gz AKWHLJDKTUGUQL-UHFFFAOYSA-N 0 0 407.341 5.780 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000017087630 560862769 /nfs/dbraw/zinc/86/27/69/560862769.db2.gz AOVBLRWOYRPISH-UHFFFAOYSA-N 0 0 407.341 5.780 40 0 HKABRN Cc1ccccc1-c1cc(-c2ccccc2C)n(Cc2ccc(Cl)cc2Cl)n1 ZINC000017087633 559122589 /nfs/dbraw/zinc/12/25/89/559122589.db2.gz XAYBXQPPCAQOLS-UHFFFAOYSA-N 0 0 407.344 7.189 40 0 HKABRN Cc1c(-c2ccc(C)cc2)nn(-c2cc(Cl)ccc2Cl)c1-c1ccc(C)cc1 ZINC000017087634 559122600 /nfs/dbraw/zinc/12/26/00/559122600.db2.gz WJOQFCUPGVJADK-UHFFFAOYSA-N 0 0 407.344 7.438 40 0 HKABRN Cc1cccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3cccc(C)c3)c2Cl)c1 ZINC000017087636 559122615 /nfs/dbraw/zinc/12/26/15/559122615.db2.gz GQLGTYUTXILETA-UHFFFAOYSA-N 0 0 407.344 7.189 40 0 HKABRN O=C(NC(=S)Nc1nc(-c2cccc3ccccc32)cs1)c1cccc(F)c1 ZINC000017087708 560862847 /nfs/dbraw/zinc/86/28/47/560862847.db2.gz PHKXSJTWZGHZAA-UHFFFAOYSA-N 0 0 407.495 5.229 40 0 HKABRN O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc(F)c1 ZINC000017087709 560862831 /nfs/dbraw/zinc/86/28/31/560862831.db2.gz LZPOLJYLLNFUTB-UHFFFAOYSA-N 0 0 407.495 5.229 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4cccs4)ccc3o2)c1 ZINC000017087751 560862857 /nfs/dbraw/zinc/86/28/57/560862857.db2.gz FTVGGFIJCKRMQA-UHFFFAOYSA-N 0 0 407.520 5.300 40 0 HKABRN O=C(Nc1ccccc1I)c1cccc2c(Cl)cccc12 ZINC000017087780 560862849 /nfs/dbraw/zinc/86/28/49/560862849.db2.gz YTRFXCIGSABPRS-UHFFFAOYSA-N 0 0 407.638 5.350 40 0 HKABRN CC1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2Cl)CC1 ZINC000017087783 560862815 /nfs/dbraw/zinc/86/28/15/560862815.db2.gz JWVFENNHPCKYDV-UHFFFAOYSA-N 0 0 407.739 5.591 40 0 HKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cccnc1Cl ZINC000017087790 560862858 /nfs/dbraw/zinc/86/28/58/560862858.db2.gz TWOXGSSMYRGURI-UHFFFAOYSA-N 0 0 407.857 5.421 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cccnc3Cl)c2)cc1 ZINC000017087804 560862868 /nfs/dbraw/zinc/86/28/68/560862868.db2.gz VMKAVJXPOHHNNN-UHFFFAOYSA-N 0 0 407.901 5.537 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3cccnc3Cl)cc2)cc1 ZINC000017087806 560862981 /nfs/dbraw/zinc/86/29/81/560862981.db2.gz SYRLHUFCXIGIQN-UHFFFAOYSA-N 0 0 407.901 5.537 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc3oc(-c4cncc(Br)c4)nc3c2)cc1 ZINC000017087825 560862950 /nfs/dbraw/zinc/86/29/50/560862950.db2.gz VJAXDLMQLGDPIC-UHFFFAOYSA-N 0 0 408.255 5.213 40 0 HKABRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccc2c(Cl)cccc12 ZINC000017087833 560862951 /nfs/dbraw/zinc/86/29/51/560862951.db2.gz FKUOXJOTBCIPIV-UHFFFAOYSA-N 0 0 408.284 7.191 40 0 HKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cccc2ccccc21 ZINC000017087834 560862969 /nfs/dbraw/zinc/86/29/69/560862969.db2.gz BXSKTBXBGGRPLK-PKNBQFBNSA-N 0 0 408.284 7.059 40 0 HKABRN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2s1 ZINC000017087841 560862975 /nfs/dbraw/zinc/86/29/75/560862975.db2.gz MHWZJYPBZZIXRI-UHFFFAOYSA-N 0 0 408.310 5.594 40 0 HKABRN CC(C)C(=O)NC(=S)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 ZINC000017087842 560862957 /nfs/dbraw/zinc/86/29/57/560862957.db2.gz JMOZZUBDWUKFPH-UHFFFAOYSA-N 0 0 408.310 5.271 40 0 HKABRN CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000017087843 560862953 /nfs/dbraw/zinc/86/29/53/560862953.db2.gz SDSWIDAVCPRCKC-UHFFFAOYSA-N 0 0 408.310 5.271 40 0 HKABRN CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 ZINC000017087844 560862962 /nfs/dbraw/zinc/86/29/62/560862962.db2.gz VZSDMUXBGKOBSN-UHFFFAOYSA-N 0 0 408.310 5.271 40 0 HKABRN CC(C)C(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 ZINC000017087845 560862963 /nfs/dbraw/zinc/86/29/63/560862963.db2.gz ZGAUVPDYKNTUGL-UHFFFAOYSA-N 0 0 408.310 5.271 40 0 HKABRN CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000017087846 560862972 /nfs/dbraw/zinc/86/29/72/560862972.db2.gz XOHRMOIJSAOSIQ-UHFFFAOYSA-N 0 0 408.310 5.271 40 0 HKABRN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1 ZINC000017087847 560862977 /nfs/dbraw/zinc/86/29/77/560862977.db2.gz BJVILPBIZCBKAC-UHFFFAOYSA-N 0 0 408.310 5.594 40 0 HKABRN CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000017087848 560862971 /nfs/dbraw/zinc/86/29/71/560862971.db2.gz ZODOGSVEOUNORC-UHFFFAOYSA-N 0 0 408.310 5.271 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1nc2c(cccc2Cl)s1 ZINC000017087851 560862960 /nfs/dbraw/zinc/86/29/60/560862960.db2.gz ULWGAPXUUNAURU-RMKNXTFCSA-N 0 0 408.335 5.130 40 0 HKABRN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc5ccccc5c4)cc3)oc2c1 ZINC000017087909 560862974 /nfs/dbraw/zinc/86/29/74/560862974.db2.gz ZNOHUHFJFLONRA-UHFFFAOYSA-N 0 0 408.457 5.974 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)cc1 ZINC000017087910 560862973 /nfs/dbraw/zinc/86/29/73/560862973.db2.gz OLCAINVMZDAAMZ-UHFFFAOYSA-N 0 0 408.457 5.974 40 0 HKABRN O=C(COc1ccc2ccccc2c1)NCc1ccc(-c2nc3ccccc3o2)cc1 ZINC000017087911 560862958 /nfs/dbraw/zinc/86/29/58/560862958.db2.gz YCFUMVFIQFAPFQ-UHFFFAOYSA-N 0 0 408.457 5.343 40 0 HKABRN Cc1c(NC(=O)COc2cccc3ccccc32)cccc1-c1nc2ccccc2o1 ZINC000017087912 560862949 /nfs/dbraw/zinc/86/29/49/560862949.db2.gz BQIICJSEIARUKX-UHFFFAOYSA-N 0 0 408.457 5.974 40 0 HKABRN CCCCCC(=O)NC(=S)Nc1cc(-c2cc3ccccc3oc2=O)ccc1C ZINC000017088052 560863055 /nfs/dbraw/zinc/86/30/55/560863055.db2.gz LHKRGHLYRCCZER-UHFFFAOYSA-N 0 0 408.523 5.162 40 0 HKABRN O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1cccc2c(Cl)cccc12 ZINC000017088109 560863059 /nfs/dbraw/zinc/86/30/59/560863059.db2.gz UOIQBDAHEVQZQR-UHFFFAOYSA-N 0 0 408.832 5.639 40 0 HKABRN O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc2ccccc2c1 ZINC000017088110 560863040 /nfs/dbraw/zinc/86/30/40/560863040.db2.gz CIPUHVLGDNIWLS-UHFFFAOYSA-N 0 0 408.832 5.639 40 0 HKABRN O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1cccc2ccccc21 ZINC000017088111 560863062 /nfs/dbraw/zinc/86/30/62/560863062.db2.gz NQVNKPNKHRCKFH-UHFFFAOYSA-N 0 0 408.832 5.639 40 0 HKABRN COc1cccc(OC)c1C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000017088113 558817042 /nfs/dbraw/zinc/81/70/42/558817042.db2.gz YOQDXQFKZLUFIP-UHFFFAOYSA-N 0 0 408.841 5.418 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000017088127 560863045 /nfs/dbraw/zinc/86/30/45/560863045.db2.gz UXYSDJBDXHNCOK-UHFFFAOYSA-N 0 0 408.885 5.388 40 0 HKABRN CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000017088128 560863030 /nfs/dbraw/zinc/86/30/30/560863030.db2.gz WYSKSRNMPNYAKW-ACCUITESSA-N 0 0 408.885 5.909 40 0 HKABRN CCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000017088129 560863018 /nfs/dbraw/zinc/86/30/18/560863018.db2.gz DKZSZRVSDLHCMA-ZRDIBKRKSA-N 0 0 408.885 5.909 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000017088136 560863020 /nfs/dbraw/zinc/86/30/20/560863020.db2.gz VAHQSFZVWAACAH-UHFFFAOYSA-N 0 0 408.910 5.943 40 0 HKABRN Cc1ccc(C)c2sc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)nc21 ZINC000017088137 560863051 /nfs/dbraw/zinc/86/30/51/560863051.db2.gz AEDSHZATGFBNEX-ZRDIBKRKSA-N 0 0 408.910 6.478 40 0 HKABRN Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 ZINC000017088139 560863163 /nfs/dbraw/zinc/86/31/63/560863163.db2.gz SFWUJBDWOJAHHW-UHFFFAOYSA-N 0 0 408.910 5.943 40 0 HKABRN Cc1cc(OCC(=O)Nc2nc(-c3cccc4ccccc43)cs2)ccc1Cl ZINC000017088140 560863170 /nfs/dbraw/zinc/86/31/70/560863170.db2.gz KSVWENRIZWLOMC-UHFFFAOYSA-N 0 0 408.910 5.943 40 0 HKABRN Cc1c(NC(=O)COc2ccccc2Cl)cccc1-c1nc2ccccc2s1 ZINC000017088141 560863178 /nfs/dbraw/zinc/86/31/78/560863178.db2.gz OWOGFUWVXMASBT-UHFFFAOYSA-N 0 0 408.910 5.943 40 0 HKABRN Cc1ccc2nc(-c3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3)oc2c1 ZINC000017088142 560863185 /nfs/dbraw/zinc/86/31/85/560863185.db2.gz CWSCOULAGVRJRT-UHFFFAOYSA-N 0 0 408.910 6.187 40 0 HKABRN CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c(C)c1 ZINC000017088146 560863159 /nfs/dbraw/zinc/86/31/59/560863159.db2.gz MVUAJENDAITVCY-NTCAYCPXSA-N 0 0 408.929 6.407 40 0 HKABRN CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000017088147 560863177 /nfs/dbraw/zinc/86/31/77/560863177.db2.gz GUPILCFYPUITOH-FYWRMAATSA-N 0 0 408.929 6.407 40 0 HKABRN CC1CCN(c2ccc(NC(=O)COc3cccc4ccccc43)cc2Cl)CC1 ZINC000017088148 560863184 /nfs/dbraw/zinc/86/31/84/560863184.db2.gz CXFXPNNKFONSGK-UHFFFAOYSA-N 0 0 408.929 5.747 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000017088149 560863186 /nfs/dbraw/zinc/86/31/86/560863186.db2.gz HREUTDQJKSHHNW-UHFFFAOYSA-N 0 0 408.929 5.990 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(I)cc2F)cc1 ZINC000017088158 560863183 /nfs/dbraw/zinc/86/31/83/560863183.db2.gz XBMUTDAPGSXCFH-BJMVGYQFSA-N 0 0 409.242 5.206 40 0 HKABRN O=C(NC(=S)Nc1cccc(F)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017088162 560863162 /nfs/dbraw/zinc/86/31/62/560863162.db2.gz NWPBZUIOCNWBNS-UHFFFAOYSA-N 0 0 409.269 5.519 40 0 HKABRN O=C(NC(=S)Nc1cccc(F)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000017088163 560863157 /nfs/dbraw/zinc/86/31/57/560863157.db2.gz HJOOGZJGRGRIJI-UHFFFAOYSA-N 0 0 409.269 5.519 40 0 HKABRN COc1ccc(-c2csc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)n2)cc1 ZINC000017088170 560863161 /nfs/dbraw/zinc/86/31/61/560863161.db2.gz IQRFLCLAXUVGFE-UHFFFAOYSA-N 0 0 409.294 5.386 40 0 HKABRN COc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)cc1OC ZINC000017088173 560863179 /nfs/dbraw/zinc/86/31/79/560863179.db2.gz YQVXUTSDRZJUAU-UHFFFAOYSA-N 0 0 409.294 5.386 40 0 HKABRN O=C(C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)NC1CCCC1 ZINC000017088186 560863182 /nfs/dbraw/zinc/86/31/82/560863182.db2.gz ZFXNQXDSXLIPJY-SOFGYWHQSA-N 0 0 409.338 5.200 40 0 HKABRN O=C(C=Cc1ccc(-c2cccc(Cl)c2Cl)o1)NC(=S)NC1CCCC1 ZINC000017088189 560863180 /nfs/dbraw/zinc/86/31/80/560863180.db2.gz QNWDJPVCMLWSJA-PKNBQFBNSA-N 0 0 409.338 5.200 40 0 HKABRN O=C(C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)NC1CCCC1 ZINC000017088196 560863169 /nfs/dbraw/zinc/86/31/69/560863169.db2.gz WOTSJJYCQXHNTM-JXMROGBWSA-N 0 0 409.338 5.200 40 0 HKABRN CC1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2Cl)CC1 ZINC000017088211 560863171 /nfs/dbraw/zinc/86/31/71/560863171.db2.gz HLBXKVUZRUBYQV-UHFFFAOYSA-N 0 0 409.382 5.961 40 0 HKABRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)COc1cccc2ccccc21 ZINC000017088226 560863212 /nfs/dbraw/zinc/86/32/12/560863212.db2.gz RLVHCWXWXAHHQM-UHFFFAOYSA-N 0 0 409.445 5.369 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1C ZINC000017088227 560863257 /nfs/dbraw/zinc/86/32/57/560863257.db2.gz LWOYRCPHQMPMJK-UHFFFAOYSA-N 0 0 409.445 5.612 40 0 HKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 ZINC000017088268 560863238 /nfs/dbraw/zinc/86/32/38/560863238.db2.gz LLBINDAYZWTTLN-XMMPIXPASA-N 0 0 409.489 5.334 40 0 HKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1ccc(C)cc1 ZINC000017088269 560863249 /nfs/dbraw/zinc/86/32/49/560863249.db2.gz LLBINDAYZWTTLN-DEOSSOPVSA-N 0 0 409.489 5.334 40 0 HKABRN COc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2Cl)cc1Cl ZINC000017088276 560863261 /nfs/dbraw/zinc/86/32/61/560863261.db2.gz CSEPFNZXKPVCTR-UHFFFAOYSA-N 0 0 409.494 5.670 40 0 HKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1Cl ZINC000017088277 560863222 /nfs/dbraw/zinc/86/32/22/560863222.db2.gz AQKMFTQPHHCOGP-UHFFFAOYSA-N 0 0 409.494 5.427 40 0 HKABRN CCCCCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000017088287 560863220 /nfs/dbraw/zinc/86/32/20/560863220.db2.gz PGTDPECZJMVZTP-UHFFFAOYSA-N 0 0 409.511 5.078 40 0 HKABRN COc1cc(NC(=S)Nc2ccc(Nc3ccccc3)cc2)cc(OC)c1OC ZINC000017088290 560863225 /nfs/dbraw/zinc/86/32/25/560863225.db2.gz YADRLRVTGBIYGH-UHFFFAOYSA-N 0 0 409.511 5.265 40 0 HKABRN CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)C(C)(C)C)cc3)nc2c1 ZINC000017088325 560863223 /nfs/dbraw/zinc/86/32/23/560863223.db2.gz DRMKXKVZDGPWTF-UHFFFAOYSA-N 0 0 409.555 5.155 40 0 HKABRN CC(C)CC(=O)NC(=S)NCc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 ZINC000017088326 560863256 /nfs/dbraw/zinc/86/32/56/560863256.db2.gz AEHLQMYJIWYFFY-UHFFFAOYSA-N 0 0 409.555 5.155 40 0 HKABRN CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 ZINC000017088329 560863247 /nfs/dbraw/zinc/86/32/47/560863247.db2.gz IQADLKADQGRGJJ-UHFFFAOYSA-N 0 0 409.555 5.651 40 0 HKABRN CCCCC(=O)NC(=S)NCc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 ZINC000017088331 560863259 /nfs/dbraw/zinc/86/32/59/560863259.db2.gz VFPXEQFGOPYSDQ-UHFFFAOYSA-N 0 0 409.555 5.299 40 0 HKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1cccs1 ZINC000017088341 560863391 /nfs/dbraw/zinc/86/33/91/560863391.db2.gz NNXWIEGTIKHCJW-UHFFFAOYSA-N 0 0 409.561 5.460 40 0 HKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)C=Cc3ccc(C(C)C)cc3)nc21 ZINC000017088342 560863370 /nfs/dbraw/zinc/86/33/70/560863370.db2.gz LVDJRRYJZIPALQ-FMIVXFBMSA-N 0 0 409.580 5.563 40 0 HKABRN Cc1cc2sc(NC(=S)NC(=O)C=Cc3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000017088343 560863371 /nfs/dbraw/zinc/86/33/71/560863371.db2.gz IUXNORBFBRYYJY-JXMROGBWSA-N 0 0 409.580 5.563 40 0 HKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000017088344 560863376 /nfs/dbraw/zinc/86/33/76/560863376.db2.gz SBNMJEZPFUMHCL-QGZVFWFLSA-N 0 0 409.599 5.490 40 0 HKABRN C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000017088345 560863383 /nfs/dbraw/zinc/86/33/83/560863383.db2.gz SBNMJEZPFUMHCL-KRWDZBQOSA-N 0 0 409.599 5.490 40 0 HKABRN CCN(CC)c1ccc(NC(=S)NC(=O)C=Cc2ccc(C(C)C)cc2)c(C)c1 ZINC000017088346 560863368 /nfs/dbraw/zinc/86/33/68/560863368.db2.gz JYCIEAGIBQIKBC-XNTDXEJSSA-N 0 0 409.599 5.491 40 0 HKABRN O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1cccc2c(Cl)cccc12 ZINC000017088349 560863374 /nfs/dbraw/zinc/86/33/74/560863374.db2.gz YZBRZMIDKKYKOR-UHFFFAOYSA-N 0 0 409.725 5.927 40 0 HKABRN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1cccc2c(Cl)cccc12 ZINC000017088350 560863373 /nfs/dbraw/zinc/86/33/73/560863373.db2.gz VVFUZHYXHMPTIU-UHFFFAOYSA-N 0 0 409.725 5.927 40 0 HKABRN O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccc2c(Cl)cccc12 ZINC000017088351 560863378 /nfs/dbraw/zinc/86/33/78/560863378.db2.gz HBLFDJFBIIMTAW-UHFFFAOYSA-N 0 0 409.725 5.927 40 0 HKABRN O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1cccc2c(Cl)cccc12 ZINC000017088352 560863375 /nfs/dbraw/zinc/86/33/75/560863375.db2.gz GCALNKOHIUEOFE-UHFFFAOYSA-N 0 0 409.725 5.927 40 0 HKABRN O=C(NC(=S)Nc1ccccc1N1CCCC1)c1cccc2c(Cl)cccc12 ZINC000017088382 560863396 /nfs/dbraw/zinc/86/33/96/560863396.db2.gz GZUQGYLYEXXMJK-UHFFFAOYSA-N 0 0 409.942 5.220 40 0 HKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)nc21 ZINC000017088414 560863461 /nfs/dbraw/zinc/86/34/61/560863461.db2.gz UECINHPNGGKRSU-UHFFFAOYSA-N 0 0 410.351 5.347 40 0 HKABRN Cc1cc2sc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)nc2c(C)c1 ZINC000017088415 560863479 /nfs/dbraw/zinc/86/34/79/560863479.db2.gz CXBSRSHCROYJKZ-UHFFFAOYSA-N 0 0 410.351 5.347 40 0 HKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)nc21 ZINC000017088416 560863448 /nfs/dbraw/zinc/86/34/48/560863448.db2.gz QLJJBUDSVKXCGU-UHFFFAOYSA-N 0 0 410.351 5.347 40 0 HKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)nc21 ZINC000017088417 560863424 /nfs/dbraw/zinc/86/34/24/560863424.db2.gz XCEYWKODBCEURG-UHFFFAOYSA-N 0 0 410.351 5.347 40 0 HKABRN CCC(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000017088419 560863476 /nfs/dbraw/zinc/86/34/76/560863476.db2.gz ULOSJDXBCADUQR-UHFFFAOYSA-N 0 0 410.351 5.493 40 0 HKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000017088420 560863431 /nfs/dbraw/zinc/86/34/31/560863431.db2.gz HRIRJSFKHHLJEO-UHFFFAOYSA-N 0 0 410.351 5.347 40 0 HKABRN O=C(COc1cccc2ccccc21)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000017088503 560863444 /nfs/dbraw/zinc/86/34/44/560863444.db2.gz WFLRBZCFGDFSPT-UHFFFAOYSA-N 0 0 410.473 5.039 40 0 HKABRN O=C(COc1ccc2ccccc2c1)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000017088504 560863452 /nfs/dbraw/zinc/86/34/52/560863452.db2.gz AMFAJYOOQRBVQJ-UHFFFAOYSA-N 0 0 410.473 5.039 40 0 HKABRN Cc1cccc(C(=O)Nc2ccc(NC(=O)COc3cccc4ccccc43)cc2)c1 ZINC000017088507 560863457 /nfs/dbraw/zinc/86/34/57/560863457.db2.gz XQLBPZWNHMARBC-UHFFFAOYSA-N 0 0 410.473 5.418 40 0 HKABRN Cc1cc(NC(=O)COc2cccc3ccccc32)ccc1NC(=O)c1ccccc1 ZINC000017088508 560863473 /nfs/dbraw/zinc/86/34/73/560863473.db2.gz LEONQRCUVSTBDF-UHFFFAOYSA-N 0 0 410.473 5.418 40 0 HKABRN C=Cc1ccc(Cn2nc(-c3cccc(OC)c3)c(C)c2-c2cccc(OC)c2)cc1 ZINC000017088552 559122632 /nfs/dbraw/zinc/12/26/32/559122632.db2.gz ZSWIKAOFJCECFQ-UHFFFAOYSA-N 0 0 410.517 6.234 40 0 HKABRN Cc1ccc2nc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)oc2c1 ZINC000017088553 560863460 /nfs/dbraw/zinc/86/34/60/560863460.db2.gz XYRLXGSQMLHIGS-NTEUORMPSA-N 0 0 410.517 6.887 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(C(C)C)cc4)ccc3o2)c(C)c1 ZINC000017088556 560863442 /nfs/dbraw/zinc/86/34/42/560863442.db2.gz ARJJYOPFWNGJQL-RIYZIHGNSA-N 0 0 410.517 6.887 40 0 HKABRN Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000017088557 558817317 /nfs/dbraw/zinc/81/73/17/558817317.db2.gz QTVYYJSLPKBNMK-BXXSPATCSA-N 0 0 410.517 5.479 40 0 HKABRN Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000017088558 558817327 /nfs/dbraw/zinc/81/73/27/558817327.db2.gz QTVYYJSLPKBNMK-WBADGQHESA-N 0 0 410.517 5.479 40 0 HKABRN Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000017088559 558817329 /nfs/dbraw/zinc/81/73/29/558817329.db2.gz QTVYYJSLPKBNMK-GSPCLOLRSA-N 0 0 410.517 5.479 40 0 HKABRN COC(=O)c1cccc(Cn2nc(-c3cccc(C)c3)c(C)c2-c2cccc(C)c2)c1 ZINC000017088560 559122622 /nfs/dbraw/zinc/12/26/22/559122622.db2.gz JEDTZEATANYUPI-UHFFFAOYSA-N 0 0 410.517 5.977 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(F)c(Cl)c1 ZINC000017088673 560863606 /nfs/dbraw/zinc/86/36/06/560863606.db2.gz JVZFKSJXCVAJEP-XBXARRHUSA-N 0 0 410.659 6.698 40 0 HKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(F)c(Cl)c1 ZINC000017088674 560863604 /nfs/dbraw/zinc/86/36/04/560863604.db2.gz FJCVEZUEYLIOOE-ZZXKWVIFSA-N 0 0 410.659 6.698 40 0 HKABRN COc1ccc(-c2csc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)n2)cc1 ZINC000017088691 560863616 /nfs/dbraw/zinc/86/36/16/560863616.db2.gz JYKBQUXEAOLDRL-UHFFFAOYSA-N 0 0 410.882 5.984 40 0 HKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000017088695 560863566 /nfs/dbraw/zinc/86/35/66/560863566.db2.gz KEQQKLWOWUQZNR-UHFFFAOYSA-N 0 0 410.926 5.822 40 0 HKABRN Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000017088696 560863572 /nfs/dbraw/zinc/86/35/72/560863572.db2.gz ZSLUIQLAEUZSST-ZRDIBKRKSA-N 0 0 410.926 5.743 40 0 HKABRN Cc1c(Cl)cccc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000017088697 560863607 /nfs/dbraw/zinc/86/36/07/560863607.db2.gz CGUGTWXLENPQTA-UHFFFAOYSA-N 0 0 410.926 5.354 40 0 HKABRN Cc1cccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000017088698 560863582 /nfs/dbraw/zinc/86/35/82/560863582.db2.gz QHYJOUVBFYGRHS-PKNBQFBNSA-N 0 0 410.926 5.743 40 0 HKABRN Cc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1Cl ZINC000017088699 560863560 /nfs/dbraw/zinc/86/35/60/560863560.db2.gz SBUDJJAVYIMDTF-UHFFFAOYSA-N 0 0 410.926 5.354 40 0 HKABRN Cc1ccc(Cl)cc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000017088700 560863567 /nfs/dbraw/zinc/86/35/67/560863567.db2.gz XCYIXJMAIUKPTC-UHFFFAOYSA-N 0 0 410.926 5.354 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3C)o2)cc1Cl ZINC000017088705 560863614 /nfs/dbraw/zinc/86/36/14/560863614.db2.gz GJCOOXLATQGAEX-ZRDIBKRKSA-N 0 0 410.926 5.743 40 0 HKABRN Cc1cc(C)cc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000017088707 560863620 /nfs/dbraw/zinc/86/36/20/560863620.db2.gz FGTXMDCJZJNMDI-CSKARUKUSA-N 0 0 410.926 5.743 40 0 HKABRN Cc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1Cl ZINC000017088708 560863557 /nfs/dbraw/zinc/86/35/57/560863557.db2.gz WJTIKWWQVMYKIG-UHFFFAOYSA-N 0 0 410.926 5.354 40 0 HKABRN Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)c(C)c1 ZINC000017088709 560863570 /nfs/dbraw/zinc/86/35/70/560863570.db2.gz PMBMQWLBLKRTBS-FMIVXFBMSA-N 0 0 410.926 5.743 40 0 HKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 ZINC000017088711 560863697 /nfs/dbraw/zinc/86/36/97/560863697.db2.gz ZZKFDQACDFVZGH-UHFFFAOYSA-N 0 0 410.926 5.876 40 0 HKABRN Cc1ccc(-c2ccc(C=CC(=O)NC(=S)NCc3ccccc3)o2)cc1Cl ZINC000017088718 560863654 /nfs/dbraw/zinc/86/36/54/560863654.db2.gz RRUVLJDDKKKHBW-ZRDIBKRKSA-N 0 0 410.926 5.113 40 0 HKABRN Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000017088719 560863693 /nfs/dbraw/zinc/86/36/93/560863693.db2.gz YYBKUTRNLPFJTJ-UHFFFAOYSA-N 0 0 410.926 5.354 40 0 HKABRN Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000017088725 560863676 /nfs/dbraw/zinc/86/36/76/560863676.db2.gz WGEGTJARMYSYJY-UHFFFAOYSA-N 0 0 410.926 5.354 40 0 HKABRN O=C(Nc1ccc(Br)cc1Cl)c1ccc(-c2cccc(Cl)c2)o1 ZINC000017088743 560863690 /nfs/dbraw/zinc/86/36/90/560863690.db2.gz FHFBMKHNGPJLRR-UHFFFAOYSA-N 0 0 411.082 6.268 40 0 HKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(F)c(Cl)c2)c1Cl ZINC000017088744 560863682 /nfs/dbraw/zinc/86/36/82/560863682.db2.gz PEZSZKRWRRSOCO-UHFFFAOYSA-N 0 0 411.087 6.074 40 0 HKABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000017088748 560863667 /nfs/dbraw/zinc/86/36/67/560863667.db2.gz XQSJVQVRWGKFOF-UHFFFAOYSA-N 0 0 411.244 5.046 40 0 HKABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(Cl)cc1Cl ZINC000017088749 560863672 /nfs/dbraw/zinc/86/36/72/560863672.db2.gz HPVLKWKQEZXEMO-UHFFFAOYSA-N 0 0 411.244 5.046 40 0 HKABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cc(Cl)ccc1Cl ZINC000017088750 560863685 /nfs/dbraw/zinc/86/36/85/560863685.db2.gz TZKDLXRPIIEROH-UHFFFAOYSA-N 0 0 411.244 5.046 40 0 HKABRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc(Cl)c1Cl ZINC000017088751 560863678 /nfs/dbraw/zinc/86/36/78/560863678.db2.gz LBWDIDDOBDEABT-UHFFFAOYSA-N 0 0 411.244 5.046 40 0 HKABRN CCc1ccc(C(=O)Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 ZINC000017088765 560863659 /nfs/dbraw/zinc/86/36/59/560863659.db2.gz UVACDYSYVAHPSU-UHFFFAOYSA-N 0 0 411.288 6.616 40 0 HKABRN CCc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1 ZINC000017088766 560863680 /nfs/dbraw/zinc/86/36/80/560863680.db2.gz NGXOFLKIBVSQCN-UHFFFAOYSA-N 0 0 411.288 6.616 40 0 HKABRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(C)cc4Cl)c3)oc2c1 ZINC000017088767 560863674 /nfs/dbraw/zinc/86/36/74/560863674.db2.gz GZIBBJHEGWEPTH-UHFFFAOYSA-N 0 0 411.288 6.671 40 0 HKABRN CCc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 ZINC000017088769 560863695 /nfs/dbraw/zinc/86/36/95/560863695.db2.gz YESZVIYYDRNNDI-UHFFFAOYSA-N 0 0 411.288 6.616 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3o2)c1 ZINC000017088770 560863701 /nfs/dbraw/zinc/86/37/01/560863701.db2.gz HQGOWIQHYYSNOS-UHFFFAOYSA-N 0 0 411.288 6.671 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3o2)c1 ZINC000017088771 560863822 /nfs/dbraw/zinc/86/38/22/560863822.db2.gz DJPMAPRPGPKHRL-UHFFFAOYSA-N 0 0 411.288 6.671 40 0 HKABRN Cc1ccc(C)c2sc(NC(=O)c3cccc4c(Br)cccc34)nc21 ZINC000017088786 560863842 /nfs/dbraw/zinc/86/38/42/560863842.db2.gz WIYHNYBASJSVPD-UHFFFAOYSA-N 0 0 411.324 6.081 40 0 HKABRN COc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000017088792 560863825 /nfs/dbraw/zinc/86/38/25/560863825.db2.gz MMCDINWTWQDGHZ-UHFFFAOYSA-N 0 0 411.335 5.344 40 0 HKABRN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(OCC(C)C)cc3)cc2s1 ZINC000017088947 560863921 /nfs/dbraw/zinc/86/39/21/560863921.db2.gz VYSPQFJQEARLRF-UHFFFAOYSA-N 0 0 411.527 5.322 40 0 HKABRN CCCCCC(=O)NC(=S)Nc1ccc(O)c(-c2nc3cc(CC)ccc3o2)c1 ZINC000017088948 560863860 /nfs/dbraw/zinc/86/38/60/560863860.db2.gz UHXLTFOMMVHZFZ-UHFFFAOYSA-N 0 0 411.527 5.156 40 0 HKABRN CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(CC)ccc3o2)c(O)c1 ZINC000017088950 560863923 /nfs/dbraw/zinc/86/39/23/560863923.db2.gz GSRRCQQZXXNCRL-UHFFFAOYSA-N 0 0 411.527 5.156 40 0 HKABRN CCCCCC(=O)NC(=S)Nc1ccc(O)c(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000017088953 560863914 /nfs/dbraw/zinc/86/39/14/560863914.db2.gz IUVXOQDSZPTLNV-UHFFFAOYSA-N 0 0 411.527 5.211 40 0 HKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)C(C)C ZINC000017088954 560863922 /nfs/dbraw/zinc/86/39/22/560863922.db2.gz JLPAFGYSYVVWEE-UHFFFAOYSA-N 0 0 411.527 5.096 40 0 HKABRN CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)C(C)(C)C)ccc3O)nc2c1 ZINC000017088956 560863906 /nfs/dbraw/zinc/86/39/06/560863906.db2.gz UIDLFFILCHFZNK-UHFFFAOYSA-N 0 0 411.527 5.183 40 0 HKABRN CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)C(C)(C)C)cc3O)nc2c1 ZINC000017088957 560863894 /nfs/dbraw/zinc/86/38/94/560863894.db2.gz FAMJVPDKAXANQD-UHFFFAOYSA-N 0 0 411.527 5.183 40 0 HKABRN CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c(O)c1 ZINC000017088959 560863899 /nfs/dbraw/zinc/86/38/99/560863899.db2.gz YCFFPEDAPBXEGQ-UHFFFAOYSA-N 0 0 411.527 5.211 40 0 HKABRN CCCC(=O)Nc1nc2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2s1 ZINC000017088998 560863897 /nfs/dbraw/zinc/86/38/97/560863897.db2.gz IRNYHKNGGFBGKC-UHFFFAOYSA-N 0 0 411.571 5.580 40 0 HKABRN O=C(COc1ccccc1Cl)OCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000017089035 560864048 /nfs/dbraw/zinc/86/40/48/560864048.db2.gz ASGRQCQBORSRJE-UHFFFAOYSA-N 0 0 411.668 6.029 40 0 HKABRN O=C(COc1ccc(Cl)cc1)OCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000017089036 560864028 /nfs/dbraw/zinc/86/40/28/560864028.db2.gz HOKYFXWROWEQNC-UHFFFAOYSA-N 0 0 411.668 6.029 40 0 HKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000017089041 560864042 /nfs/dbraw/zinc/86/40/42/560864042.db2.gz JCKDXEYSWQUJMQ-UHFFFAOYSA-N 0 0 411.851 6.424 40 0 HKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000017089042 560864040 /nfs/dbraw/zinc/86/40/40/560864040.db2.gz DVNIQUBZYXTFAT-UHFFFAOYSA-N 0 0 411.851 6.424 40 0 HKABRN Cc1ccnc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000017089065 560864052 /nfs/dbraw/zinc/86/40/52/560864052.db2.gz WTYIGASNWJRYJB-SOFGYWHQSA-N 0 0 411.914 5.138 40 0 HKABRN CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 ZINC000017089078 560864045 /nfs/dbraw/zinc/86/40/45/560864045.db2.gz HVEDWMPZWADAKB-UHFFFAOYSA-N 0 0 411.958 5.466 40 0 HKABRN CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccnc4Cl)c3)nc2c1 ZINC000017089090 560864058 /nfs/dbraw/zinc/86/40/58/560864058.db2.gz NBJCDRPVMOOPKM-UHFFFAOYSA-N 0 0 412.276 6.011 40 0 HKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000017089091 560864054 /nfs/dbraw/zinc/86/40/54/560864054.db2.gz UPFASESNDBSLOG-UHFFFAOYSA-N 0 0 412.276 5.798 40 0 HKABRN CCCCc1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 ZINC000017089101 560864061 /nfs/dbraw/zinc/86/40/61/560864061.db2.gz FGOVJAHYPLXDEM-UHFFFAOYSA-N 0 0 412.327 6.206 40 0 HKABRN CC[C@@H](C)c1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 ZINC000017089102 560864051 /nfs/dbraw/zinc/86/40/51/560864051.db2.gz VECWZTOZCHFSGL-CQSZACIVSA-N 0 0 412.327 6.377 40 0 HKABRN CC[C@H](C)c1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 ZINC000017089103 560864043 /nfs/dbraw/zinc/86/40/43/560864043.db2.gz VECWZTOZCHFSGL-AWEZNQCLSA-N 0 0 412.327 6.377 40 0 HKABRN O=C(COc1cccc2ccccc21)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000017089116 560864062 /nfs/dbraw/zinc/86/40/62/560864062.db2.gz YZJFJLYMBCJKRE-UHFFFAOYSA-N 0 0 412.420 5.805 40 0 HKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cc2ccccc2o1 ZINC000017089123 560864027 /nfs/dbraw/zinc/86/40/27/560864027.db2.gz UIAMNCVSZRGFAS-UHFFFAOYSA-N 0 0 412.445 6.119 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000017089227 560864131 /nfs/dbraw/zinc/86/41/31/560864131.db2.gz YZJUQVNDRCIERP-UHFFFAOYSA-N 0 0 412.511 5.259 40 0 HKABRN O=C(NC(=S)Nc1ccc2ccccc2c1)c1cccc(OCc2ccccc2)c1 ZINC000017089236 560864151 /nfs/dbraw/zinc/86/41/51/560864151.db2.gz NLJPEKXGFQTDRE-UHFFFAOYSA-N 0 0 412.514 5.546 40 0 HKABRN O=C(NC(=S)Nc1cccc2ccccc21)c1cccc(OCc2ccccc2)c1 ZINC000017089237 560864120 /nfs/dbraw/zinc/86/41/20/560864120.db2.gz BMRZWESIRBJMRO-UHFFFAOYSA-N 0 0 412.514 5.546 40 0 HKABRN O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc(OCc2ccccc2)cc1 ZINC000017089238 560864115 /nfs/dbraw/zinc/86/41/15/560864115.db2.gz MYSLXAFOCNXDBG-UHFFFAOYSA-N 0 0 412.514 5.546 40 0 HKABRN O=C(NC(=S)Nc1cccc2ccccc21)c1ccc(OCc2ccccc2)cc1 ZINC000017089239 560864142 /nfs/dbraw/zinc/86/41/42/560864142.db2.gz TWYFYZKRJRSTAF-UHFFFAOYSA-N 0 0 412.514 5.546 40 0 HKABRN O=C(NC(=S)Nc1cccc2c(O)cccc12)C(c1ccccc1)c1ccccc1 ZINC000017089240 560864097 /nfs/dbraw/zinc/86/40/97/560864097.db2.gz QAVHIWPCXYNGGO-UHFFFAOYSA-N 0 0 412.514 5.191 40 0 HKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(C(C)C)cc1 ZINC000017089316 560864101 /nfs/dbraw/zinc/86/41/01/560864101.db2.gz PMNKFSHKJHDDOX-UHFFFAOYSA-N 0 0 412.537 6.228 40 0 HKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000017089350 560864140 /nfs/dbraw/zinc/86/41/40/560864140.db2.gz VPNNLSKLBDOYJM-XNTDXEJSSA-N 0 0 412.558 7.047 40 0 HKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000017089382 560864133 /nfs/dbraw/zinc/86/41/33/560864133.db2.gz WGHGFDKHGNSPSL-UHFFFAOYSA-N 0 0 412.744 6.712 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc4ccc(F)cc4s3)o2)cc1Cl ZINC000017089394 560864145 /nfs/dbraw/zinc/86/41/45/560864145.db2.gz SNLQPTFALCHNHC-RMKNXTFCSA-N 0 0 412.873 6.309 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)cc1 ZINC000017089397 560864105 /nfs/dbraw/zinc/86/41/05/560864105.db2.gz LQHCAONKXHASOK-UHFFFAOYSA-N 0 0 412.876 6.862 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)cc1Cl ZINC000017089398 560864147 /nfs/dbraw/zinc/86/41/47/560864147.db2.gz TWUQBNQSIWONFM-UHFFFAOYSA-N 0 0 412.876 6.862 40 0 HKABRN Cc1cccc(-c2nc3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)c1 ZINC000017089399 560864152 /nfs/dbraw/zinc/86/41/52/560864152.db2.gz DEWNSFUCVPWFMN-UHFFFAOYSA-N 0 0 412.876 6.862 40 0 HKABRN Cc1ccc2nc(-c3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3)oc2c1 ZINC000017089400 560864219 /nfs/dbraw/zinc/86/42/19/560864219.db2.gz NWAPXQSCPVUUFB-UHFFFAOYSA-N 0 0 412.876 6.862 40 0 HKABRN Cc1ccccc1-c1nc2cc(NC(=O)c3cccc4c(Cl)cccc34)ccc2o1 ZINC000017089401 560864241 /nfs/dbraw/zinc/86/42/41/560864241.db2.gz UZJATTSVARHVSE-UHFFFAOYSA-N 0 0 412.876 6.862 40 0 HKABRN S=C(NCc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000017089409 560864245 /nfs/dbraw/zinc/86/42/45/560864245.db2.gz JXCIMJOOWYLVFK-UHFFFAOYSA-N 0 0 412.898 5.348 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3O)o2)cc1Cl ZINC000017089410 560864220 /nfs/dbraw/zinc/86/42/20/560864220.db2.gz MLDLLWZMUUIQJN-PKNBQFBNSA-N 0 0 412.898 5.140 40 0 HKABRN COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1NC(=O)c1cccs1 ZINC000017089414 560864231 /nfs/dbraw/zinc/86/42/31/560864231.db2.gz JVLKEERDOWVEOT-IZZDOVSWSA-N 0 0 412.898 5.314 40 0 HKABRN CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 ZINC000017089427 560864230 /nfs/dbraw/zinc/86/42/30/560864230.db2.gz QLKAXWHLDRJTFD-UHFFFAOYSA-N 0 0 412.942 5.623 40 0 HKABRN COc1ccc(CCNC(=S)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000017089429 560864240 /nfs/dbraw/zinc/86/42/40/560864240.db2.gz SQXAJERXOIDOIK-UHFFFAOYSA-N 0 0 412.942 5.670 40 0 HKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000017089434 560864238 /nfs/dbraw/zinc/86/42/38/560864238.db2.gz SOKZEFCRIDCQQQ-UHFFFAOYSA-N 0 0 412.961 6.005 40 0 HKABRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(Br)ccc1Cl ZINC000017089438 560864234 /nfs/dbraw/zinc/86/42/34/560864234.db2.gz OLTRQEKCMDRKTH-UHFFFAOYSA-N 0 0 413.020 6.027 40 0 HKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1cccc(C)c1C ZINC000017089441 560864216 /nfs/dbraw/zinc/86/42/16/560864216.db2.gz CCQLGUNHVNJTOC-UHFFFAOYSA-N 0 0 413.109 5.089 40 0 HKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1cc(C)ccc1C ZINC000017089442 560864232 /nfs/dbraw/zinc/86/42/32/560864232.db2.gz SSLLPFQZJAIEEQ-UHFFFAOYSA-N 0 0 413.109 5.089 40 0 HKABRN O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000017089452 560864226 /nfs/dbraw/zinc/86/42/26/560864226.db2.gz ZRJMSLFQZOKGPZ-UHFFFAOYSA-N 0 0 413.260 5.819 40 0 HKABRN O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000017089453 560864217 /nfs/dbraw/zinc/86/42/17/560864217.db2.gz QGCRUDKFAJIXNO-UHFFFAOYSA-N 0 0 413.260 5.819 40 0 HKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1nc2ccccc2s1 ZINC000017089465 560864218 /nfs/dbraw/zinc/86/42/18/560864218.db2.gz OSNAZVJUEAQQEN-UHFFFAOYSA-N 0 0 413.296 5.473 40 0 HKABRN CCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000017089472 560864334 /nfs/dbraw/zinc/86/43/34/560864334.db2.gz KTGSVPJVPXEJDX-UHFFFAOYSA-N 0 0 413.304 6.060 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1Cl ZINC000017089487 560864313 /nfs/dbraw/zinc/86/43/13/560864313.db2.gz PQVXSFKDFCCGHZ-UHFFFAOYSA-N 0 0 413.329 6.831 40 0 HKABRN Cc1ccccc1C(=O)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000017089488 560864341 /nfs/dbraw/zinc/86/43/41/560864341.db2.gz MOQZKEPPHNTJFB-UHFFFAOYSA-N 0 0 413.329 6.831 40 0 HKABRN O=C(Cc1ccc(Cl)cc1)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000017089489 560864351 /nfs/dbraw/zinc/86/43/51/560864351.db2.gz ORYFFMJLWBDGAC-UHFFFAOYSA-N 0 0 413.329 6.451 40 0 HKABRN O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000017089490 560864331 /nfs/dbraw/zinc/86/43/31/560864331.db2.gz LYDHOAOUEHZARP-UHFFFAOYSA-N 0 0 413.329 6.451 40 0 HKABRN O=C(Cc1ccccc1)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000017089491 560864368 /nfs/dbraw/zinc/86/43/68/560864368.db2.gz ANMURFAHQCNSNX-UHFFFAOYSA-N 0 0 413.329 6.451 40 0 HKABRN Cc1cccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c1C ZINC000017089492 560864323 /nfs/dbraw/zinc/86/43/23/560864323.db2.gz SUHWOMJBVXGPDA-UHFFFAOYSA-N 0 0 413.340 5.346 40 0 HKABRN CCc1ccccc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 ZINC000017089493 560864349 /nfs/dbraw/zinc/86/43/49/560864349.db2.gz JXYRHFDNADHWNY-UHFFFAOYSA-N 0 0 413.340 5.292 40 0 HKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cccc(OCC(C)C)c3)nc21 ZINC000017089662 560864461 /nfs/dbraw/zinc/86/44/61/560864461.db2.gz SISVBRZUQFJLFU-UHFFFAOYSA-N 0 0 413.568 5.075 40 0 HKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(OCC(C)C)cc3)nc21 ZINC000017089663 560864426 /nfs/dbraw/zinc/86/44/26/560864426.db2.gz LOYIPUNAXRFTJO-UHFFFAOYSA-N 0 0 413.568 5.075 40 0 HKABRN Cc1cc2sc(NC(=S)NC(=O)c3cccc(OCC(C)C)c3)nc2c(C)c1 ZINC000017089666 560864419 /nfs/dbraw/zinc/86/44/19/560864419.db2.gz KYIUMYLCDYVAIQ-UHFFFAOYSA-N 0 0 413.568 5.075 40 0 HKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2nc3c(s2)c(C)ccc3C)cc1 ZINC000017089669 560864453 /nfs/dbraw/zinc/86/44/53/560864453.db2.gz SFNRZCDQLSREOV-UHFFFAOYSA-N 0 0 413.568 5.219 40 0 HKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2nc3c(s2)c(C)ccc3C)c1 ZINC000017089670 560864430 /nfs/dbraw/zinc/86/44/30/560864430.db2.gz ARYNOYAQZHZYKY-UHFFFAOYSA-N 0 0 413.568 5.219 40 0 HKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(OCC(C)C)cc3)nc2c(C)c1 ZINC000017089673 560864451 /nfs/dbraw/zinc/86/44/51/560864451.db2.gz FNOVETYOIYFHLS-UHFFFAOYSA-N 0 0 413.568 5.075 40 0 HKABRN CCCCOc1cccc(C(=O)NC(=S)Nc2nc3c(cc(C)cc3C)s2)c1 ZINC000017089674 560864417 /nfs/dbraw/zinc/86/44/17/560864417.db2.gz MHXMQBSQSQGDOG-UHFFFAOYSA-N 0 0 413.568 5.219 40 0 HKABRN CCCCOc1ccc(C(=O)NC(=S)Nc2nc3c(cc(C)cc3C)s2)cc1 ZINC000017089675 560864455 /nfs/dbraw/zinc/86/44/55/560864455.db2.gz BDSXQIGXVPSNEB-UHFFFAOYSA-N 0 0 413.568 5.219 40 0 HKABRN CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)c(C)c1 ZINC000017089684 560864425 /nfs/dbraw/zinc/86/44/25/560864425.db2.gz TTWNDJKSLFKZJH-UHFFFAOYSA-N 0 0 413.587 5.003 40 0 HKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)CC34CC5CC(CC(C5)C3)C4)nc21 ZINC000017089686 560864416 /nfs/dbraw/zinc/86/44/16/560864416.db2.gz OZKXUYTYCPMICT-UHFFFAOYSA-N 0 0 413.612 5.333 40 0 HKABRN Cc1cc2sc(NC(=S)NC(=O)CC34CC5CC(CC(C5)C3)C4)nc2c(C)c1 ZINC000017089691 560864447 /nfs/dbraw/zinc/86/44/47/560864447.db2.gz BHHJEKGCGDWWGJ-UHFFFAOYSA-N 0 0 413.612 5.333 40 0 HKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)C(Cl)(Cl)Cl ZINC000017089697 560864578 /nfs/dbraw/zinc/86/45/78/560864578.db2.gz XTAHPWLHSRWTBY-UHFFFAOYSA-N 0 0 413.688 5.429 40 0 HKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000017089705 560864540 /nfs/dbraw/zinc/86/45/40/560864540.db2.gz HMXQMRJCYKQODQ-UHFFFAOYSA-N 0 0 413.732 5.898 40 0 HKABRN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000017089712 560864575 /nfs/dbraw/zinc/86/45/75/560864575.db2.gz WXSIVFOIODTAIZ-UHFFFAOYSA-N 0 0 413.864 6.257 40 0 HKABRN Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000017089718 560864581 /nfs/dbraw/zinc/86/45/81/560864581.db2.gz XFUNCABWDXLHHV-UHFFFAOYSA-N 0 0 413.896 5.186 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4c5c(cccc53)CC4)o2)cc1Cl ZINC000017089720 560864588 /nfs/dbraw/zinc/86/45/88/560864588.db2.gz NQRYGMYFWDBPLM-SDNWHVSQSA-N 0 0 413.904 6.812 40 0 HKABRN O=C(NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccco1 ZINC000017089725 560864577 /nfs/dbraw/zinc/86/45/77/560864577.db2.gz ODSCXFUMAHAZOY-UHFFFAOYSA-N 0 0 413.911 5.337 40 0 HKABRN CCOC(=O)c1c(NC(=O)c2cccc3c(Cl)cccc23)sc2c1CCCC2 ZINC000017089726 560864557 /nfs/dbraw/zinc/86/45/57/560864557.db2.gz HJXCNDUMTWBMFE-UHFFFAOYSA-N 0 0 413.926 5.863 40 0 HKABRN CC1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccccc3)cc2Cl)CC1 ZINC000017089730 560864593 /nfs/dbraw/zinc/86/45/93/560864593.db2.gz IWBDDCKELFRICF-JXMROGBWSA-N 0 0 413.974 5.103 40 0 HKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1 ZINC000017089731 560864590 /nfs/dbraw/zinc/86/45/90/560864590.db2.gz NDTGYKDCIYXEDP-SNQWNFELSA-N 0 0 413.974 5.245 40 0 HKABRN C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1 ZINC000017089732 560864591 /nfs/dbraw/zinc/86/45/91/560864591.db2.gz NDTGYKDCIYXEDP-KAMPRCONSA-N 0 0 413.974 5.245 40 0 HKABRN CC1CCN(c2ccccc2NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)CC1 ZINC000017089733 560864561 /nfs/dbraw/zinc/86/45/61/560864561.db2.gz ITYNLKBJIBUODQ-DHZHZOJOSA-N 0 0 413.974 5.103 40 0 HKABRN CC1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)cc2)CC1 ZINC000017089734 560864559 /nfs/dbraw/zinc/86/45/59/560864559.db2.gz URDQQWVXYYNEHZ-NYYWCZLTSA-N 0 0 413.974 5.103 40 0 HKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000017089749 560864623 /nfs/dbraw/zinc/86/46/23/560864623.db2.gz SDVXWLXQVLCVNK-ZZXKWVIFSA-N 0 0 414.248 5.075 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000017089751 560864667 /nfs/dbraw/zinc/86/46/67/560864667.db2.gz LQSXUINPYWEIMY-XBXARRHUSA-N 0 0 414.248 5.075 40 0 HKABRN CC[C@@H](C)c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000017089768 560864617 /nfs/dbraw/zinc/86/46/17/560864617.db2.gz DWDBYVDKOGVCGE-SLZMIMFISA-N 0 0 414.332 7.419 40 0 HKABRN CC[C@H](C)c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000017089769 560864641 /nfs/dbraw/zinc/86/46/41/560864641.db2.gz DWDBYVDKOGVCGE-GDXASINISA-N 0 0 414.332 7.419 40 0 HKABRN CCCCc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000017089770 560864624 /nfs/dbraw/zinc/86/46/24/560864624.db2.gz OWGFNJQGBBFSEF-FYWRMAATSA-N 0 0 414.332 7.248 40 0 HKABRN CCCCc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000017089771 560864643 /nfs/dbraw/zinc/86/46/43/560864643.db2.gz MBOHTPKXAASVIE-ZRDIBKRKSA-N 0 0 414.332 7.248 40 0 HKABRN CC[C@@H](C)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017089772 560864671 /nfs/dbraw/zinc/86/46/71/560864671.db2.gz LLFHXRQJAVFJBX-NRMKIYEFSA-N 0 0 414.332 7.419 40 0 HKABRN CC[C@H](C)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017089773 560864629 /nfs/dbraw/zinc/86/46/29/560864629.db2.gz LLFHXRQJAVFJBX-VOMSXAGXSA-N 0 0 414.332 7.419 40 0 HKABRN O=C(COc1cccc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000017089805 560864647 /nfs/dbraw/zinc/86/46/47/560864647.db2.gz APFHUWXFFMKUTP-UHFFFAOYSA-N 0 0 414.427 5.476 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c(C)c1 ZINC000017089827 560864630 /nfs/dbraw/zinc/86/46/30/560864630.db2.gz KDTYEJPYEVMGOI-UHFFFAOYSA-N 0 0 414.461 5.319 40 0 HKABRN CCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 ZINC000017089828 560864648 /nfs/dbraw/zinc/86/46/48/560864648.db2.gz BPEPLJLPYVTXFB-UHFFFAOYSA-N 0 0 414.461 5.726 40 0 HKABRN CC(C)Oc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 ZINC000017089829 560864645 /nfs/dbraw/zinc/86/46/45/560864645.db2.gz JMBBPKLGEQLDHV-UHFFFAOYSA-N 0 0 414.461 5.725 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1C ZINC000017089830 560864670 /nfs/dbraw/zinc/86/46/70/560864670.db2.gz PDVFQRKDBRDNCC-UHFFFAOYSA-N 0 0 414.461 5.319 40 0 HKABRN CC(C)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 ZINC000017089831 560864658 /nfs/dbraw/zinc/86/46/58/560864658.db2.gz RFBIQVAJDQYHHZ-UHFFFAOYSA-N 0 0 414.461 5.725 40 0 HKABRN Cc1cccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1C ZINC000017089832 560864798 /nfs/dbraw/zinc/86/47/98/560864798.db2.gz KPBSIGIGHYLQGD-UHFFFAOYSA-N 0 0 414.461 5.319 40 0 HKABRN COc1c(C)cccc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 ZINC000017089833 560864791 /nfs/dbraw/zinc/86/47/91/560864791.db2.gz NYGJRGRGHMYITC-UHFFFAOYSA-N 0 0 414.461 5.563 40 0 HKABRN Cc1cc(C)cc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 ZINC000017089834 560864764 /nfs/dbraw/zinc/86/47/64/560864764.db2.gz IRAYMBQASRZDNN-UHFFFAOYSA-N 0 0 414.461 5.319 40 0 HKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000017089867 560864817 /nfs/dbraw/zinc/86/48/17/560864817.db2.gz PHVPMAAHGSMPNJ-AWNIVKPZSA-N 0 0 414.484 5.643 40 0 HKABRN FC(F)(F)c1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000017089914 560864822 /nfs/dbraw/zinc/86/48/22/560864822.db2.gz DOIXSWPKJJHNFJ-UHFFFAOYSA-N 0 0 414.496 6.214 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)c1 ZINC000017089923 560864773 /nfs/dbraw/zinc/86/47/73/560864773.db2.gz WBNZISLIZZLXFP-UHFFFAOYSA-N 0 0 414.505 5.622 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccc(C(C)C)cc4)ccc3o2)c1 ZINC000017089925 560864794 /nfs/dbraw/zinc/86/47/94/560864794.db2.gz AQUKBBDHVQWCCN-UHFFFAOYSA-N 0 0 414.505 6.253 40 0 HKABRN CCCCc1ccc(-n2nc3ccc(NC(=O)c4cccc(C)c4OC)cc3n2)cc1 ZINC000017089934 560864775 /nfs/dbraw/zinc/86/47/75/560864775.db2.gz NDUIYMUQKOOKKK-UHFFFAOYSA-N 0 0 414.509 5.332 40 0 HKABRN Cc1ccc(OCC(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1 ZINC000017089935 560864804 /nfs/dbraw/zinc/86/48/04/560864804.db2.gz VOJFJNHEVJYNJP-UHFFFAOYSA-N 0 0 414.509 5.178 40 0 HKABRN COc1c(C)cccc1C(=O)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C ZINC000017089940 560864803 /nfs/dbraw/zinc/86/48/03/560864803.db2.gz AXKICQQPBVLFBO-UHFFFAOYSA-N 0 0 414.509 5.422 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1 ZINC000017089941 560864767 /nfs/dbraw/zinc/86/47/67/560864767.db2.gz FONFPULVUZOSGG-UHFFFAOYSA-N 0 0 414.509 5.503 40 0 HKABRN CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1 ZINC000017090042 560864828 /nfs/dbraw/zinc/86/48/28/560864828.db2.gz GLWUTPFDAHVYCU-UHFFFAOYSA-N 0 0 414.534 5.228 40 0 HKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c1 ZINC000017090045 560864852 /nfs/dbraw/zinc/86/48/52/560864852.db2.gz SJBUIZGRWSBBMA-UHFFFAOYSA-N 0 0 414.534 5.282 40 0 HKABRN CCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 ZINC000017090074 560864859 /nfs/dbraw/zinc/86/48/59/560864859.db2.gz MRZNODKWERLJEM-HNNXBMFYSA-N 0 0 414.571 5.039 40 0 HKABRN CCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000017090075 560864831 /nfs/dbraw/zinc/86/48/31/560864831.db2.gz MRZNODKWERLJEM-OAHLLOKOSA-N 0 0 414.571 5.039 40 0 HKABRN CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 ZINC000017090096 560864848 /nfs/dbraw/zinc/86/48/48/560864848.db2.gz RVFFWBHHCDUOGQ-HNNXBMFYSA-N 0 0 414.571 5.038 40 0 HKABRN CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000017090097 560864829 /nfs/dbraw/zinc/86/48/29/560864829.db2.gz RVFFWBHHCDUOGQ-OAHLLOKOSA-N 0 0 414.571 5.038 40 0 HKABRN CC(C)Oc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c1 ZINC000017090098 560864844 /nfs/dbraw/zinc/86/48/44/560864844.db2.gz HZKRAKPZNPQXTR-HNNXBMFYSA-N 0 0 414.571 5.038 40 0 HKABRN CC(C)Oc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)c1 ZINC000017090099 560864862 /nfs/dbraw/zinc/86/48/62/560864862.db2.gz HZKRAKPZNPQXTR-OAHLLOKOSA-N 0 0 414.571 5.038 40 0 HKABRN CC[C@@H](C)c1ccccc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl ZINC000017090118 560864861 /nfs/dbraw/zinc/86/48/61/560864861.db2.gz MZCZBKBODCTEBE-LLVKDONJSA-N 0 0 414.760 6.795 40 0 HKABRN CC[C@H](C)c1ccccc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl ZINC000017090119 560864826 /nfs/dbraw/zinc/86/48/26/560864826.db2.gz MZCZBKBODCTEBE-NSHDSACASA-N 0 0 414.760 6.795 40 0 HKABRN Cc1cc(OCC(=O)Nc2cc(C(C)(C)C)cc(Cl)c2Cl)cc(C)c1Cl ZINC000017090120 558818748 /nfs/dbraw/zinc/81/87/48/558818748.db2.gz DCHILRBSJVQAPG-UHFFFAOYSA-N 0 0 414.760 6.579 40 0 HKABRN CCCCc1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 ZINC000017090121 560864922 /nfs/dbraw/zinc/86/49/22/560864922.db2.gz HLTAFYXCZJLYOL-UHFFFAOYSA-N 0 0 414.760 6.624 40 0 HKABRN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000017090138 560864965 /nfs/dbraw/zinc/86/49/65/560864965.db2.gz KZHAYBSHPAKIFT-UHFFFAOYSA-N 0 0 414.880 5.783 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(F)cc3)o2)cc1Cl ZINC000017090140 560864961 /nfs/dbraw/zinc/86/49/61/560864961.db2.gz JTEQBYBMHARPRP-PKNBQFBNSA-N 0 0 414.889 5.574 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3F)o2)cc1Cl ZINC000017090142 560864968 /nfs/dbraw/zinc/86/49/68/560864968.db2.gz HVUNVTSKIDIXML-PKNBQFBNSA-N 0 0 414.889 5.574 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc(F)c3)o2)cc1Cl ZINC000017090143 560864946 /nfs/dbraw/zinc/86/49/46/560864946.db2.gz ZQDPMFPAGSWNKB-CSKARUKUSA-N 0 0 414.889 5.574 40 0 HKABRN O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(OCc2ccccc2)cc1 ZINC000017090149 560864948 /nfs/dbraw/zinc/86/49/48/560864948.db2.gz MLQLHGQQHGKZFQ-UHFFFAOYSA-N 0 0 414.889 5.185 40 0 HKABRN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1cccc2c(Cl)cccc12 ZINC000017090164 560864954 /nfs/dbraw/zinc/86/49/54/560864954.db2.gz BJJSFEUGMXNVQV-UHFFFAOYSA-N 0 0 414.917 7.022 40 0 HKABRN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc2c(Cl)cccc12 ZINC000017090166 560864955 /nfs/dbraw/zinc/86/49/55/560864955.db2.gz KUTYRYGAGIMGAT-UHFFFAOYSA-N 0 0 414.917 7.022 40 0 HKABRN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc2ccccc2c1 ZINC000017090167 560864920 /nfs/dbraw/zinc/86/49/20/560864920.db2.gz LYDOHAIJXGIVFH-UHFFFAOYSA-N 0 0 414.917 7.022 40 0 HKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 ZINC000017090175 560864918 /nfs/dbraw/zinc/86/49/18/560864918.db2.gz MVQNQBHMIXLNKN-GOSISDBHSA-N 0 0 414.977 6.107 40 0 HKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 ZINC000017090176 560864923 /nfs/dbraw/zinc/86/49/23/560864923.db2.gz MVQNQBHMIXLNKN-SFHVURJKSA-N 0 0 414.977 6.107 40 0 HKABRN CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000017090209 560864973 /nfs/dbraw/zinc/86/49/73/560864973.db2.gz DJSYVTLFPOSQKO-DHZHZOJOSA-N 0 0 415.276 5.864 40 0 HKABRN COc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NC(=O)c1ccccc1Cl ZINC000017090210 560864952 /nfs/dbraw/zinc/86/49/52/560864952.db2.gz YZPXUPKXQYNXNN-UHFFFAOYSA-N 0 0 415.276 5.507 40 0 HKABRN COc1cc(NC(=O)c2ccccc2Cl)ccc1NC(=O)c1ccccc1Cl ZINC000017090211 560864939 /nfs/dbraw/zinc/86/49/39/560864939.db2.gz UTQUELDZXVVURV-UHFFFAOYSA-N 0 0 415.276 5.507 40 0 HKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000017090213 560864958 /nfs/dbraw/zinc/86/49/58/560864958.db2.gz AKSQAKLPKYEELB-UHFFFAOYSA-N 0 0 415.276 5.507 40 0 HKABRN CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000017090214 560864959 /nfs/dbraw/zinc/86/49/59/560864959.db2.gz AGLZHYCTOBRSLD-VQHVLOKHSA-N 0 0 415.276 5.864 40 0 HKABRN O=C(/C=C/c1ccco1)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000017090220 560865059 /nfs/dbraw/zinc/86/50/59/560865059.db2.gz BUWHYFZVWXGVFR-BQYQJAHWSA-N 0 0 415.301 6.515 40 0 HKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1nc2ccccc2s1 ZINC000017090221 560865036 /nfs/dbraw/zinc/86/50/36/560865036.db2.gz DGFFELIEHLYEJM-SOFGYWHQSA-N 0 0 415.301 6.515 40 0 HKABRN O=C(Nc1ccccc1N1CCCCC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000017090230 560865042 /nfs/dbraw/zinc/86/50/42/560865042.db2.gz IMLRAMBKCXCEBI-UHFFFAOYSA-N 0 0 415.320 6.496 40 0 HKABRN O=C(Nc1ccccc1N1CCCCC1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000017090231 560865052 /nfs/dbraw/zinc/86/50/52/560865052.db2.gz ULFFMQONVSKJSQ-UHFFFAOYSA-N 0 0 415.320 6.496 40 0 HKABRN O=C(Nc1ccccc1N1CCCCC1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017090232 560865047 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Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1 ZINC000017090354 560865151 /nfs/dbraw/zinc/86/51/51/560865151.db2.gz WGBFGHKDLBIMIM-UHFFFAOYSA-N 0 0 415.518 5.547 40 0 HKABRN Cc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1 ZINC000017090355 560865142 /nfs/dbraw/zinc/86/51/42/560865142.db2.gz IEXMDVCGHZLCEO-UHFFFAOYSA-N 0 0 415.518 5.547 40 0 HKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc(C)c4)c3)nc2c1 ZINC000017090356 560865123 /nfs/dbraw/zinc/86/51/23/560865123.db2.gz LRYARNYAIRDWHJ-UHFFFAOYSA-N 0 0 415.518 5.547 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 ZINC000017090358 560865116 /nfs/dbraw/zinc/86/51/16/560865116.db2.gz AHRMZTWVUSQCHK-UHFFFAOYSA-N 0 0 415.518 5.547 40 0 HKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4C)c3)nc2c1 ZINC000017090359 560865131 /nfs/dbraw/zinc/86/51/31/560865131.db2.gz NIMSYLGEUCAINU-UHFFFAOYSA-N 0 0 415.518 5.547 40 0 HKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)cc1 ZINC000017090360 560865157 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Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2C)c1 ZINC000017090366 560865144 /nfs/dbraw/zinc/86/51/44/560865144.db2.gz QTRRDKZHPHGGDY-UHFFFAOYSA-N 0 0 415.518 5.547 40 0 HKABRN Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)c3)oc2c1 ZINC000017090367 560865140 /nfs/dbraw/zinc/86/51/40/560865140.db2.gz VZCKASMXKXQQOI-UHFFFAOYSA-N 0 0 415.518 5.547 40 0 HKABRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3)oc2c1 ZINC000017090368 560865133 /nfs/dbraw/zinc/86/51/33/560865133.db2.gz JPGAFWDEALVLTJ-UHFFFAOYSA-N 0 0 415.518 5.547 40 0 HKABRN CCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000017090369 560865119 /nfs/dbraw/zinc/86/51/19/560865119.db2.gz BJOQTYJFSZASHI-UHFFFAOYSA-N 0 0 415.518 5.775 40 0 HKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)Cc4ccccc4)c3)nc2c1 ZINC000017090371 560865111 /nfs/dbraw/zinc/86/51/11/560865111.db2.gz JKSUCHUDXLIHAJ-UHFFFAOYSA-N 0 0 415.518 5.167 40 0 HKABRN CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1 ZINC000017090372 560865135 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Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2nc3ccccc3s2)c1Cl ZINC000017090409 560865265 /nfs/dbraw/zinc/86/52/65/560865265.db2.gz YLCVWRVBCLJEQJ-UHFFFAOYSA-N 0 0 415.729 5.891 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000017090410 560865296 /nfs/dbraw/zinc/86/52/96/560865296.db2.gz NJPKDGGJGUIOGB-UHFFFAOYSA-N 0 0 415.729 6.053 40 0 HKABRN CCc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)(C)C)c3)nc2c1 ZINC000017090450 560865276 /nfs/dbraw/zinc/86/52/76/560865276.db2.gz SBPBFHWUHOOKTQ-UHFFFAOYSA-N 0 0 415.946 5.570 40 0 HKABRN CC(C)C(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000017090451 560865284 /nfs/dbraw/zinc/86/52/84/560865284.db2.gz YLOGOZKKBNUJJV-UHFFFAOYSA-N 0 0 415.946 5.741 40 0 HKABRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)C(C)(C)C)ccc3Cl)oc2c(C)c1 ZINC000017090452 560865252 /nfs/dbraw/zinc/86/52/52/560865252.db2.gz DBQZZJDRJHCSIO-UHFFFAOYSA-N 0 0 415.946 5.624 40 0 HKABRN Cc1cc2nc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)(C)C)c3)oc2c(C)c1 ZINC000017090453 560865262 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O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Br)o1 ZINC000017090467 560865349 /nfs/dbraw/zinc/86/53/49/560865349.db2.gz BLUCIYRNDYPVNW-UHFFFAOYSA-N 0 0 416.054 5.966 40 0 HKABRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Cl)c(Cl)c1 ZINC000017090468 560865341 /nfs/dbraw/zinc/86/53/41/560865341.db2.gz QBNYBUNIRBIJHL-UHFFFAOYSA-N 0 0 416.087 6.917 40 0 HKABRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Cl)cc1Cl ZINC000017090469 560865352 /nfs/dbraw/zinc/86/53/52/560865352.db2.gz FEUAXWDSBRCJHL-UHFFFAOYSA-N 0 0 416.087 6.917 40 0 HKABRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cc(Cl)ccc1Cl ZINC000017090470 560865370 /nfs/dbraw/zinc/86/53/70/560865370.db2.gz RJCOCOVAYCMYLU-UHFFFAOYSA-N 0 0 416.087 6.917 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc2c(c1)OCCO2 ZINC000017090483 560865360 /nfs/dbraw/zinc/86/53/60/560865360.db2.gz ZHLYXMGGKFXKQF-XBXARRHUSA-N 0 0 416.260 5.677 40 0 HKABRN COC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000017090484 560865350 /nfs/dbraw/zinc/86/53/50/560865350.db2.gz VTFGKCOHSYMSDY-VQHVLOKHSA-N 0 0 416.260 5.692 40 0 HKABRN COC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000017090485 560865368 /nfs/dbraw/zinc/86/53/68/560865368.db2.gz SRHIFIYZEXIYOI-DHZHZOJOSA-N 0 0 416.260 5.692 40 0 HKABRN COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000017090486 560865373 /nfs/dbraw/zinc/86/53/73/560865373.db2.gz MHQTUNMRRXEZLE-VQHVLOKHSA-N 0 0 416.260 5.692 40 0 HKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc2c(c1)OCCO2 ZINC000017090487 560865353 /nfs/dbraw/zinc/86/53/53/560865353.db2.gz FIKLWORUUOYQCE-ZZXKWVIFSA-N 0 0 416.260 5.677 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000017090506 560865347 /nfs/dbraw/zinc/86/53/47/560865347.db2.gz SDHUDJFLCHTEME-UHFFFAOYSA-N 0 0 416.304 6.582 40 0 HKABRN COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c(F)c1F ZINC000017090516 560865354 /nfs/dbraw/zinc/86/53/54/560865354.db2.gz QQFHOQKSFCNFNQ-UHFFFAOYSA-N 0 0 416.330 5.312 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC12CC3CC(CC(C3)C1)C2 ZINC000017090519 560865348 /nfs/dbraw/zinc/86/53/48/560865348.db2.gz JXHFPBJRDXVETQ-ZZXKWVIFSA-N 0 0 416.348 6.352 40 0 HKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC12CC3CC(CC(C3)C1)C2 ZINC000017090520 560865358 /nfs/dbraw/zinc/86/53/58/560865358.db2.gz QYXCOGKMXXYYQJ-DUXPYHPUSA-N 0 0 416.348 6.352 40 0 HKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cccc(C)c1OC ZINC000017090623 560865497 /nfs/dbraw/zinc/86/54/97/560865497.db2.gz BGAYYYWWLAYUQT-UHFFFAOYSA-N 0 0 416.477 5.690 40 0 HKABRN COc1ccc2oc(-c3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3)nc2c1 ZINC000017090624 560865501 /nfs/dbraw/zinc/86/55/01/560865501.db2.gz IYJOCAHWXUOAFE-UHFFFAOYSA-N 0 0 416.477 5.791 40 0 HKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)COc1ccccc1C ZINC000017090627 560865502 /nfs/dbraw/zinc/86/55/02/560865502.db2.gz MCAWCAGMCVXTQF-UHFFFAOYSA-N 0 0 416.477 5.446 40 0 HKABRN COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1C ZINC000017090629 558819276 /nfs/dbraw/zinc/81/92/76/558819276.db2.gz DCCGSSAOASJXBL-UHFFFAOYSA-N 0 0 416.477 5.690 40 0 HKABRN COc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1OC ZINC000017090693 560865503 /nfs/dbraw/zinc/86/55/03/560865503.db2.gz SOMJYBDMCUPQFI-UHFFFAOYSA-N 0 0 416.502 5.747 40 0 HKABRN COc1c(C)cccc1C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000017090715 560865494 /nfs/dbraw/zinc/86/54/94/560865494.db2.gz TVGZOFKTGMENIE-UHFFFAOYSA-N 0 0 416.521 5.806 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000017090803 560865474 /nfs/dbraw/zinc/86/54/74/560865474.db2.gz BTTDBXHWZORGFW-UHFFFAOYSA-N 0 0 416.546 6.278 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 ZINC000017090805 560865463 /nfs/dbraw/zinc/86/54/63/560865463.db2.gz HOVOLNDGWIDIIC-UHFFFAOYSA-N 0 0 416.546 6.413 40 0 HKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000017090814 560865479 /nfs/dbraw/zinc/86/54/79/560865479.db2.gz XMZPEXYEPAUFQS-UHFFFAOYSA-N 0 0 416.546 6.413 40 0 HKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000017090815 560865499 /nfs/dbraw/zinc/86/54/99/560865499.db2.gz IEMOFHXUEATBJA-QGZVFWFLSA-N 0 0 416.546 6.494 40 0 HKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000017090816 560865492 /nfs/dbraw/zinc/86/54/92/560865492.db2.gz IEMOFHXUEATBJA-KRWDZBQOSA-N 0 0 416.546 6.494 40 0 HKABRN COC(=O)c1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 ZINC000017090859 560865550 /nfs/dbraw/zinc/86/55/50/560865550.db2.gz RZSPSGFJXAQOIG-UHFFFAOYSA-N 0 0 416.688 5.068 40 0 HKABRN COC(=O)c1ccccc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl ZINC000017090860 560865562 /nfs/dbraw/zinc/86/55/62/560865562.db2.gz STJHOTWTFQQNKG-UHFFFAOYSA-N 0 0 416.688 5.068 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(Br)c3)o2)cc1Cl ZINC000017090863 560865561 /nfs/dbraw/zinc/86/55/61/560865561.db2.gz XTDRHJTVUDNVKO-CSKARUKUSA-N 0 0 416.702 6.323 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3Br)o2)cc1Cl ZINC000017090864 560865531 /nfs/dbraw/zinc/86/55/31/560865531.db2.gz NLQOWQBRXHMDPN-PKNBQFBNSA-N 0 0 416.702 6.323 40 0 HKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1Cl ZINC000017090867 560865571 /nfs/dbraw/zinc/86/55/71/560865571.db2.gz SBDYZUIOTFIRHA-UHFFFAOYSA-N 0 0 416.776 5.727 40 0 HKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)NC2C3CC4CC(C3)CC2C4)c1Cl ZINC000017090868 560865548 /nfs/dbraw/zinc/86/55/48/560865548.db2.gz ZNXUCXBYTDUUCK-UHFFFAOYSA-N 0 0 416.776 5.583 40 0 HKABRN O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cccc2c(Cl)cccc12 ZINC000017090873 560865537 /nfs/dbraw/zinc/86/55/37/560865537.db2.gz CFNVOLNNLNYFIC-UHFFFAOYSA-N 0 0 416.839 6.693 40 0 HKABRN O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cccc2c(Cl)cccc12 ZINC000017090874 560865565 /nfs/dbraw/zinc/86/55/65/560865565.db2.gz RJCJZQRWCKZADU-UHFFFAOYSA-N 0 0 416.839 6.693 40 0 HKABRN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cccc2c(Cl)cccc12 ZINC000017090875 560865570 /nfs/dbraw/zinc/86/55/70/560865570.db2.gz MYRLTFYHFNKADH-UHFFFAOYSA-N 0 0 416.839 6.693 40 0 HKABRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000017090880 560865566 /nfs/dbraw/zinc/86/55/66/560865566.db2.gz RINOGPKDTQVYPG-UHFFFAOYSA-N 0 0 416.852 5.273 40 0 HKABRN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)c1 ZINC000017090881 560865545 /nfs/dbraw/zinc/86/55/45/560865545.db2.gz PABPDIWUIGIZSR-UHFFFAOYSA-N 0 0 416.852 5.273 40 0 HKABRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000017090882 560865584 /nfs/dbraw/zinc/86/55/84/560865584.db2.gz UOJAZENUZMWWON-UHFFFAOYSA-N 0 0 416.852 5.274 40 0 HKABRN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)c1 ZINC000017090883 560865535 /nfs/dbraw/zinc/86/55/35/560865535.db2.gz NULXCLZATQXRQA-UHFFFAOYSA-N 0 0 416.852 5.274 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000017090886 560865573 /nfs/dbraw/zinc/86/55/73/560865573.db2.gz YNFUOQWFZIQSOG-VGOFMYFVSA-N 0 0 416.864 5.990 40 0 HKABRN O=C(NC(=S)Nc1ccc2c3c(cccc31)CC2)c1cccc2c(Cl)cccc12 ZINC000017090904 560865553 /nfs/dbraw/zinc/86/55/53/560865553.db2.gz KOWAWFOGZPEHRL-UHFFFAOYSA-N 0 0 416.933 5.872 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1Br ZINC000017090947 560865695 /nfs/dbraw/zinc/86/56/95/560865695.db2.gz RPLQWXGGRROBOB-UHFFFAOYSA-N 0 0 417.072 5.002 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccccc1OC(F)F ZINC000017090960 560865673 /nfs/dbraw/zinc/86/56/73/560865673.db2.gz FFFXBYSJNRCRSY-SOFGYWHQSA-N 0 0 417.264 5.121 40 0 HKABRN CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000017090964 560865669 /nfs/dbraw/zinc/86/56/69/560865669.db2.gz URYVIXOLQLPPAZ-UHFFFAOYSA-N 0 0 417.292 6.100 40 0 HKABRN O=C(Nc1ccccc1N1CCOCC1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000017090965 560865685 /nfs/dbraw/zinc/86/56/85/560865685.db2.gz HAIFWQGWWMSJEK-UHFFFAOYSA-N 0 0 417.292 5.342 40 0 HKABRN CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1 ZINC000017090966 560865670 /nfs/dbraw/zinc/86/56/70/560865670.db2.gz QBXOIFZNRIMNLN-UHFFFAOYSA-N 0 0 417.292 6.100 40 0 HKABRN CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000017090967 560865684 /nfs/dbraw/zinc/86/56/84/560865684.db2.gz VYNYLWSEHWNIND-UHFFFAOYSA-N 0 0 417.292 6.100 40 0 HKABRN O=C(Nc1ccccc1N1CCOCC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000017090968 560865694 /nfs/dbraw/zinc/86/56/94/560865694.db2.gz FDSLFDLTUVMQLP-UHFFFAOYSA-N 0 0 417.292 5.342 40 0 HKABRN CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000017090969 560865664 /nfs/dbraw/zinc/86/56/64/560865664.db2.gz XBIUTDHHSLZGSF-UHFFFAOYSA-N 0 0 417.292 6.100 40 0 HKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccccc1 ZINC000017090974 560865672 /nfs/dbraw/zinc/86/56/72/560865672.db2.gz DMBKFOQSSUMKNP-VQHVLOKHSA-N 0 0 417.317 5.780 40 0 HKABRN Cc1ccc(C)c2sc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)nc21 ZINC000017090975 560865688 /nfs/dbraw/zinc/86/56/88/560865688.db2.gz GEBCXGBFQPCSKU-UHFFFAOYSA-N 0 0 417.317 6.732 40 0 HKABRN Cc1cc2sc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)nc2c(C)c1 ZINC000017090976 560865666 /nfs/dbraw/zinc/86/56/66/560865666.db2.gz ULUURFBKRSVZFK-UHFFFAOYSA-N 0 0 417.317 6.732 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccccc1 ZINC000017090978 560865677 /nfs/dbraw/zinc/86/56/77/560865677.db2.gz UEBSVMIBQOGWOQ-DHZHZOJOSA-N 0 0 417.317 5.780 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1cccc2c(O)cccc12 ZINC000017090979 560865689 /nfs/dbraw/zinc/86/56/89/560865689.db2.gz PJNOXUPASABDNK-CSKARUKUSA-N 0 0 417.317 5.379 40 0 HKABRN Cc1ccc(C)c2sc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)nc21 ZINC000017090980 560865674 /nfs/dbraw/zinc/86/56/74/560865674.db2.gz JOQXJAWQGKNCMN-UHFFFAOYSA-N 0 0 417.317 6.732 40 0 HKABRN Cc1ccc(C)c2sc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)nc21 ZINC000017090981 560865665 /nfs/dbraw/zinc/86/56/65/560865665.db2.gz VJOFVYAEVZKBDZ-UHFFFAOYSA-N 0 0 417.317 6.732 40 0 HKABRN Cc1ccc(C)c2sc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)nc21 ZINC000017090982 560865687 /nfs/dbraw/zinc/86/56/87/560865687.db2.gz UXRZQCVNXROKSP-UHFFFAOYSA-N 0 0 417.317 6.732 40 0 HKABRN Cc1cc2sc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)nc2c(C)c1 ZINC000017090983 560865686 /nfs/dbraw/zinc/86/56/86/560865686.db2.gz ILQGUAXZRKXBSX-UHFFFAOYSA-N 0 0 417.317 6.732 40 0 HKABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1nc2c(s1)c(C)ccc2C ZINC000017090991 560865678 /nfs/dbraw/zinc/86/56/78/560865678.db2.gz COOBFGBOCXGUNH-RMKNXTFCSA-N 0 0 417.328 5.336 40 0 HKABRN CCN(CC)c1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c(C)c1 ZINC000017090993 560865663 /nfs/dbraw/zinc/86/56/63/560865663.db2.gz XXLNLHWOOAMTNL-UHFFFAOYSA-N 0 0 417.336 6.660 40 0 HKABRN CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C)c1 ZINC000017090994 560865777 /nfs/dbraw/zinc/86/57/77/560865777.db2.gz ITHVMPNRWKEYBB-UHFFFAOYSA-N 0 0 417.336 6.660 40 0 HKABRN CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(C)c1 ZINC000017090995 560865795 /nfs/dbraw/zinc/86/57/95/560865795.db2.gz RGFIORTZZSPPMA-UHFFFAOYSA-N 0 0 417.336 6.660 40 0 HKABRN COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1 ZINC000017091002 560865779 /nfs/dbraw/zinc/86/57/79/560865779.db2.gz NNZRSIJYTNXVNL-HNNXBMFYSA-N 0 0 417.347 5.397 40 0 HKABRN COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 ZINC000017091003 560865819 /nfs/dbraw/zinc/86/58/19/560865819.db2.gz NNZRSIJYTNXVNL-OAHLLOKOSA-N 0 0 417.347 5.397 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1Br ZINC000017091004 560865808 /nfs/dbraw/zinc/86/58/08/560865808.db2.gz CXLFQGZMDOPSDM-HNNXBMFYSA-N 0 0 417.347 5.479 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1Br ZINC000017091005 560865787 /nfs/dbraw/zinc/86/57/87/560865787.db2.gz CXLFQGZMDOPSDM-OAHLLOKOSA-N 0 0 417.347 5.479 40 0 HKABRN COc1ccc(Nc2ccc(NC(=S)Nc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000017091045 560865832 /nfs/dbraw/zinc/86/58/32/560865832.db2.gz FULVJDVYYHDVQC-UHFFFAOYSA-N 0 0 417.456 6.267 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)C=Cc4ccco4)ccc3o2)c1 ZINC000017091081 560865806 /nfs/dbraw/zinc/86/58/06/560865806.db2.gz RJGXSZXFPAICQD-SOFGYWHQSA-N 0 0 417.490 5.231 40 0 HKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)C=Cc4ccco4)c3)nc2c1 ZINC000017091086 560865889 /nfs/dbraw/zinc/86/58/89/560865889.db2.gz KWJNNFATCDESCM-CSKARUKUSA-N 0 0 417.490 5.231 40 0 HKABRN Cc1ccccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1C ZINC000017091177 560865905 /nfs/dbraw/zinc/86/59/05/560865905.db2.gz WQUVFEXZJBHWAS-UHFFFAOYSA-N 0 0 417.559 5.707 40 0 HKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2nc(-c3cccc4ccccc43)cs2)c1 ZINC000017091178 571305795 /nfs/dbraw/zinc/30/57/95/571305795.db2.gz PBDBIOUCCYRBSF-UHFFFAOYSA-N 0 0 417.559 5.707 40 0 HKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000017091179 560865894 /nfs/dbraw/zinc/86/58/94/560865894.db2.gz ZFAPTBDITJQARN-UHFFFAOYSA-N 0 0 417.559 5.707 40 0 HKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)nc21 ZINC000017091182 560865925 /nfs/dbraw/zinc/86/59/25/560865925.db2.gz JLEATJZOTJVQMK-UHFFFAOYSA-N 0 0 417.559 5.707 40 0 HKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000017091183 560866044 /nfs/dbraw/zinc/86/60/44/560866044.db2.gz VRNZWACHKKEYBX-UHFFFAOYSA-N 0 0 417.559 5.653 40 0 HKABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)nc2c(C)c1 ZINC000017091184 560866015 /nfs/dbraw/zinc/86/60/15/560866015.db2.gz LKLTYHMOTQZXPJ-UHFFFAOYSA-N 0 0 417.559 5.707 40 0 HKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2)c1 ZINC000017091185 560866022 /nfs/dbraw/zinc/86/60/22/560866022.db2.gz RQEGOAKSSAWTCU-UHFFFAOYSA-N 0 0 417.559 5.707 40 0 HKABRN CCc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc4ccccc43)cs2)cc1 ZINC000017091186 560866052 /nfs/dbraw/zinc/86/60/52/560866052.db2.gz GYONIZPLDQYDKH-UHFFFAOYSA-N 0 0 417.559 5.653 40 0 HKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)Cc1ccccc1 ZINC000017091187 560866057 /nfs/dbraw/zinc/86/60/57/560866057.db2.gz JOFUEILKBZHVGU-UHFFFAOYSA-N 0 0 417.559 5.327 40 0 HKABRN Cc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 ZINC000017091188 560866026 /nfs/dbraw/zinc/86/60/26/560866026.db2.gz FYEPPBTXIKQDKM-UHFFFAOYSA-N 0 0 417.559 5.707 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000017091189 560866030 /nfs/dbraw/zinc/86/60/30/560866030.db2.gz RMVGRTDUBKDBLX-UHFFFAOYSA-N 0 0 417.559 5.707 40 0 HKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 ZINC000017091190 571305822 /nfs/dbraw/zinc/30/58/22/571305822.db2.gz XQQZPIWUCYWIKU-UHFFFAOYSA-N 0 0 417.559 5.707 40 0 HKABRN O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(Cl)cc1Cl ZINC000017091223 558819846 /nfs/dbraw/zinc/81/98/46/558819846.db2.gz WPUZQQWAQOILLQ-UHFFFAOYSA-N 0 0 417.683 5.633 40 0 HKABRN O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1cccc(Cl)c1Cl ZINC000017091224 558819834 /nfs/dbraw/zinc/81/98/34/558819834.db2.gz UBKSCTSAVMPKSU-UHFFFAOYSA-N 0 0 417.683 5.633 40 0 HKABRN O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000017091225 558819836 /nfs/dbraw/zinc/81/98/36/558819836.db2.gz UMVCPBAAFIEOKX-UHFFFAOYSA-N 0 0 417.683 5.633 40 0 HKABRN Cc1nc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)ccc1Br ZINC000017091228 560866008 /nfs/dbraw/zinc/86/60/08/560866008.db2.gz YRBJHBXYAKVNES-YRNVUSSQSA-N 0 0 417.690 5.718 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc2c(Cl)cccc12 ZINC000017091232 560866060 /nfs/dbraw/zinc/86/60/60/560866060.db2.gz KRSZRLANLAVUDM-UHFFFAOYSA-N 0 0 417.736 6.783 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1 ZINC000017091256 560866046 /nfs/dbraw/zinc/86/60/46/560866046.db2.gz WCNGCDAHKYJZGW-KPKJPENVSA-N 0 0 417.896 6.319 40 0 HKABRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)(C)C)ccc3o2)cc1Cl ZINC000017091258 560866032 /nfs/dbraw/zinc/86/60/32/560866032.db2.gz FTUWQTFZUDQODU-UHFFFAOYSA-N 0 0 417.918 5.016 40 0 HKABRN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(OCC)c(Cl)c3)cc2s1 ZINC000017091262 560866013 /nfs/dbraw/zinc/86/60/13/560866013.db2.gz FPZCBNSPHVOUMV-UHFFFAOYSA-N 0 0 417.918 5.339 40 0 HKABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000017091277 558819847 /nfs/dbraw/zinc/81/98/47/558819847.db2.gz KNKUTDPRJNRUJK-UHFFFAOYSA-N 0 0 417.943 5.030 40 0 HKABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000017091292 560866114 /nfs/dbraw/zinc/86/61/14/560866114.db2.gz NNBVUBLSHNISQM-UHFFFAOYSA-N 0 0 417.962 5.113 40 0 HKABRN CCCCCC(=O)NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000017091294 560866129 /nfs/dbraw/zinc/86/61/29/560866129.db2.gz KGFCXSSUBRWDAS-UHFFFAOYSA-N 0 0 417.987 6.010 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1Cl ZINC000017091301 560866110 /nfs/dbraw/zinc/86/61/10/560866110.db2.gz IXMSRERCWXDKDP-UHFFFAOYSA-N 0 0 418.143 5.191 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)c(Cl)c1 ZINC000017091302 560866101 /nfs/dbraw/zinc/86/61/01/560866101.db2.gz VTMMDXKWKVNGIK-UHFFFAOYSA-N 0 0 418.143 5.191 40 0 HKABRN COc1ccc(OC)c(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 ZINC000017091322 560866124 /nfs/dbraw/zinc/86/61/24/560866124.db2.gz TWKIYDJZCUGJQT-VMPITWQZSA-N 0 0 418.276 5.923 40 0 HKABRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccco2)cc1 ZINC000017091323 560866133 /nfs/dbraw/zinc/86/61/33/560866133.db2.gz UOQXNUXOAZTNQV-UHFFFAOYSA-N 0 0 418.276 5.610 40 0 HKABRN COc1ccc(OC)c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000017091324 560866105 /nfs/dbraw/zinc/86/61/05/560866105.db2.gz PUDINBMKPBEZDP-UXBLZVDNSA-N 0 0 418.276 5.923 40 0 HKABRN COc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(OC)c1 ZINC000017091325 560866112 /nfs/dbraw/zinc/86/61/12/560866112.db2.gz SRBHJXJORNRUBP-VMPITWQZSA-N 0 0 418.276 5.923 40 0 HKABRN COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(OC)c1 ZINC000017091326 560866122 /nfs/dbraw/zinc/86/61/22/560866122.db2.gz WHSPSOFIXHBYRT-UXBLZVDNSA-N 0 0 418.276 5.923 40 0 HKABRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccco2)cc1 ZINC000017091327 560866113 /nfs/dbraw/zinc/86/61/13/560866113.db2.gz RPKXQXWXECKYQA-UHFFFAOYSA-N 0 0 418.276 5.610 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1cccnc1 ZINC000017091335 560866117 /nfs/dbraw/zinc/86/61/17/560866117.db2.gz ZZUQGPBBIHPJOV-VMPITWQZSA-N 0 0 418.305 5.175 40 0 HKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccccn1 ZINC000017091336 560866121 /nfs/dbraw/zinc/86/61/21/560866121.db2.gz KDJZHLOCMUYMPW-FNORWQNLSA-N 0 0 418.305 5.175 40 0 HKABRN O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)NC(=S)Nc1ccccn1 ZINC000017091339 560866125 /nfs/dbraw/zinc/86/61/25/560866125.db2.gz AAIBTVQSNOUGIT-CSKARUKUSA-N 0 0 418.305 5.175 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccccn1 ZINC000017091340 560866111 /nfs/dbraw/zinc/86/61/11/560866111.db2.gz ZVYFMSGGPJQVCF-RMKNXTFCSA-N 0 0 418.305 5.175 40 0 HKABRN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 ZINC000017091342 560866128 /nfs/dbraw/zinc/86/61/28/560866128.db2.gz DGAPYJBKGKUYOR-UHFFFAOYSA-N 0 0 418.316 5.050 40 0 HKABRN CCCC(=O)Nc1nc2ccc(NC(=O)c3cccc(Br)c3)cc2s1 ZINC000017091343 560866118 /nfs/dbraw/zinc/86/61/18/560866118.db2.gz OVJOWBYRNWDFOJ-UHFFFAOYSA-N 0 0 418.316 5.050 40 0 HKABRN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1 ZINC000017091344 560866107 /nfs/dbraw/zinc/86/61/07/560866107.db2.gz ZBINUMYEWNZHIN-UHFFFAOYSA-N 0 0 418.316 5.050 40 0 HKABRN Cc1cccc(-c2nc3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3o2)c1 ZINC000017091357 558819857 /nfs/dbraw/zinc/81/98/57/558819857.db2.gz BZMWIXULNBXUHS-UHFFFAOYSA-N 0 0 418.321 5.751 40 0 HKABRN Cc1ccccc1-c1nc2cc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)ccc2o1 ZINC000017091358 558819832 /nfs/dbraw/zinc/81/98/32/558819832.db2.gz DOQOVRBPKDEYST-UHFFFAOYSA-N 0 0 418.321 5.751 40 0 HKABRN Cc1ccc2nc(-c3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)oc2c1 ZINC000017091359 558819855 /nfs/dbraw/zinc/81/98/55/558819855.db2.gz XUGFLMNYZPYLDK-UHFFFAOYSA-N 0 0 418.321 5.751 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3o2)cc1 ZINC000017091360 558819976 /nfs/dbraw/zinc/81/99/76/558819976.db2.gz ZAYOMKDAFCQWAT-UHFFFAOYSA-N 0 0 418.321 5.751 40 0 HKABRN Cc1ccc2oc(-c3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)nc2c1 ZINC000017091361 558819945 /nfs/dbraw/zinc/81/99/45/558819945.db2.gz YIRXCMWHWLVUEV-UHFFFAOYSA-N 0 0 418.321 5.751 40 0 HKABRN Cc1ccc2oc(-c3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)nc2c1 ZINC000017091362 558819972 /nfs/dbraw/zinc/81/99/72/558819972.db2.gz GNDDSDQMBMMUJV-UHFFFAOYSA-N 0 0 418.321 5.751 40 0 HKABRN Cc1ccc2nc(-c3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)oc2c1 ZINC000017091363 558819934 /nfs/dbraw/zinc/81/99/34/558819934.db2.gz QPMLXRRLHOKZBV-UHFFFAOYSA-N 0 0 418.321 5.751 40 0 HKABRN Cc1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cccc1-c1nc2ccccc2o1 ZINC000017091364 558820003 /nfs/dbraw/zinc/82/00/03/558820003.db2.gz WBMMGOQASVDXKU-UHFFFAOYSA-N 0 0 418.321 5.751 40 0 HKABRN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000017091365 558819993 /nfs/dbraw/zinc/81/99/93/558819993.db2.gz NRVLZWAWASJIKN-UHFFFAOYSA-N 0 0 418.321 5.751 40 0 HKABRN O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1ccc(-c2ccccc2)cc1 ZINC000017091397 558819950 /nfs/dbraw/zinc/81/99/50/558819950.db2.gz YDVJZMMZFZLQAI-UHFFFAOYSA-N 0 0 418.452 5.407 40 0 HKABRN O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(-c2ccccc2)cc1 ZINC000017091398 558819973 /nfs/dbraw/zinc/81/99/73/558819973.db2.gz UUGKMQWKKGKDTN-UHFFFAOYSA-N 0 0 418.452 5.407 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5)cc4)ccc3o2)c1 ZINC000017091442 560866219 /nfs/dbraw/zinc/86/62/19/560866219.db2.gz VSZUZUMSYPIBHY-UHFFFAOYSA-N 0 0 418.496 7.031 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5)cc4)ccc3o2)c(C)c1 ZINC000017091443 560866237 /nfs/dbraw/zinc/86/62/37/560866237.db2.gz IPRHBUGHKWSERQ-UHFFFAOYSA-N 0 0 418.496 7.031 40 0 HKABRN CCCCc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000017091539 560866230 /nfs/dbraw/zinc/86/62/30/560866230.db2.gz BTEYSCZWAXTNRK-UHFFFAOYSA-N 0 0 418.562 5.735 40 0 HKABRN CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000017091559 560866334 /nfs/dbraw/zinc/86/63/34/560866334.db2.gz XIEQATCSDQHWGA-GOSISDBHSA-N 0 0 418.562 5.906 40 0 HKABRN CC[C@H](C)c1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000017091560 560866322 /nfs/dbraw/zinc/86/63/22/560866322.db2.gz XIEQATCSDQHWGA-SFHVURJKSA-N 0 0 418.562 5.906 40 0 HKABRN CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000017091572 560866319 /nfs/dbraw/zinc/86/63/19/560866319.db2.gz PTRIDGUAONVUTL-GOSISDBHSA-N 0 0 418.562 5.906 40 0 HKABRN CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000017091573 560866328 /nfs/dbraw/zinc/86/63/28/560866328.db2.gz PTRIDGUAONVUTL-SFHVURJKSA-N 0 0 418.562 5.906 40 0 HKABRN CCCCc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000017091594 560866342 /nfs/dbraw/zinc/86/63/42/560866342.db2.gz MQQGDUVUJPMUGW-UHFFFAOYSA-N 0 0 418.562 5.735 40 0 HKABRN O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1cccnc1Cl ZINC000017091644 560866341 /nfs/dbraw/zinc/86/63/41/560866341.db2.gz ZBPWAXXGRVFGEX-UHFFFAOYSA-N 0 0 418.667 6.102 40 0 HKABRN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1cccnc1Cl ZINC000017091646 560866333 /nfs/dbraw/zinc/86/63/33/560866333.db2.gz GPGCBWKIMSHYLO-UHFFFAOYSA-N 0 0 418.667 6.102 40 0 HKABRN O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1cccnc1Cl ZINC000017091647 560866344 /nfs/dbraw/zinc/86/63/44/560866344.db2.gz TVQIWCOTSIMAAA-UHFFFAOYSA-N 0 0 418.667 6.102 40 0 HKABRN O=C(Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1cccnc1Cl ZINC000017091648 560866318 /nfs/dbraw/zinc/86/63/18/560866318.db2.gz XFZGLRICINNIGR-UHFFFAOYSA-N 0 0 418.667 6.102 40 0 HKABRN O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1cccnc1Cl ZINC000017091649 560866323 /nfs/dbraw/zinc/86/63/23/560866323.db2.gz SUIAUDFCJWNAHC-UHFFFAOYSA-N 0 0 418.667 6.102 40 0 HKABRN COc1ccc(OC)c(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)c1 ZINC000017091654 560866349 /nfs/dbraw/zinc/86/63/49/560866349.db2.gz PRYMKKFGMGGFQC-UHFFFAOYSA-N 0 0 418.704 5.298 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc2c(Cl)cccc12 ZINC000017091672 560866330 /nfs/dbraw/zinc/86/63/30/560866330.db2.gz NIMVRLXSPDMQEO-UHFFFAOYSA-N 0 0 418.846 6.365 40 0 HKABRN COc1cccc(-c2nn(Cc3cccc(C)c3)c(-c3cccc(OC)c3)c2Cl)c1 ZINC000017091717 559122731 /nfs/dbraw/zinc/12/27/31/559122731.db2.gz VUDZFJMXFFPPGM-UHFFFAOYSA-N 0 0 418.924 6.244 40 0 HKABRN CC1CCN(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2Cl)CC1 ZINC000017091730 560866340 /nfs/dbraw/zinc/86/63/40/560866340.db2.gz DVQPNAFMYHEAQQ-UHFFFAOYSA-N 0 0 418.968 6.347 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl ZINC000017091750 560866326 /nfs/dbraw/zinc/86/63/26/560866326.db2.gz FMOQHFJIORUSGK-FPYGCLRLSA-N 0 0 419.255 5.539 40 0 HKABRN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000017091764 558820235 /nfs/dbraw/zinc/82/02/35/558820235.db2.gz ATNASCDXIPDSDS-UHFFFAOYSA-N 0 0 419.309 5.146 40 0 HKABRN Cc1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1C ZINC000017091766 560866451 /nfs/dbraw/zinc/86/64/51/560866451.db2.gz XUQTVLJBSBCFHR-UHFFFAOYSA-N 0 0 419.333 5.997 40 0 HKABRN CCc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017091767 560866481 /nfs/dbraw/zinc/86/64/81/560866481.db2.gz JTBFQZSJCOSONJ-UHFFFAOYSA-N 0 0 419.333 5.943 40 0 HKABRN Cc1cc(C)cc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000017091768 560866447 /nfs/dbraw/zinc/86/64/47/560866447.db2.gz KIJOGDHCGWZOPO-UHFFFAOYSA-N 0 0 419.333 5.997 40 0 HKABRN CCc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000017091769 560866493 /nfs/dbraw/zinc/86/64/93/560866493.db2.gz YUSBQLBQHWZAQT-UHFFFAOYSA-N 0 0 419.333 5.943 40 0 HKABRN Cc1cc(C)cc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000017091770 560866497 /nfs/dbraw/zinc/86/64/97/560866497.db2.gz GXPAFWLGSIHUGA-UHFFFAOYSA-N 0 0 419.333 5.997 40 0 HKABRN Cc1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1C ZINC000017091771 560866464 /nfs/dbraw/zinc/86/64/64/560866464.db2.gz OQEGAGFOURSNBU-UHFFFAOYSA-N 0 0 419.333 5.997 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1 ZINC000017091784 560866457 /nfs/dbraw/zinc/86/64/57/560866457.db2.gz NPKHTYFSNSKKDY-VQCVXAJWSA-N 0 0 419.352 6.033 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 ZINC000017091785 560866439 /nfs/dbraw/zinc/86/64/39/560866439.db2.gz NPKHTYFSNSKKDY-KDHUCADRSA-N 0 0 419.352 6.033 40 0 HKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000017091787 560866485 /nfs/dbraw/zinc/86/64/85/560866485.db2.gz UUEORWWOVHRHKR-GFCCVEGCSA-N 0 0 419.365 6.255 40 0 HKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000017091788 560866449 /nfs/dbraw/zinc/86/64/49/560866449.db2.gz UUEORWWOVHRHKR-LBPRGKRZSA-N 0 0 419.365 6.255 40 0 HKABRN CC1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2Cl)CC1 ZINC000017091790 560866438 /nfs/dbraw/zinc/86/64/38/560866438.db2.gz ZPSDNBVIQNAEAW-UHFFFAOYSA-N 0 0 419.377 6.697 40 0 HKABRN C[C@@H]1CCCCN1c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000017091791 560866445 /nfs/dbraw/zinc/86/64/45/560866445.db2.gz HEPFQNXZGBJCHQ-CYBMUJFWSA-N 0 0 419.377 6.839 40 0 HKABRN C[C@H]1CCCCN1c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000017091792 560866437 /nfs/dbraw/zinc/86/64/37/560866437.db2.gz HEPFQNXZGBJCHQ-ZDUSSCGKSA-N 0 0 419.377 6.839 40 0 HKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c1 ZINC000017091819 560866489 /nfs/dbraw/zinc/86/64/89/560866489.db2.gz SWZXBPANMVWDBI-UHFFFAOYSA-N 0 0 419.481 5.378 40 0 HKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc(F)c4)c3)nc2c1 ZINC000017091820 560866471 /nfs/dbraw/zinc/86/64/71/560866471.db2.gz CQGNTJRLKXPLSQ-UHFFFAOYSA-N 0 0 419.481 5.378 40 0 HKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1 ZINC000017091821 560866491 /nfs/dbraw/zinc/86/64/91/560866491.db2.gz BBOFCZVOPPGVNK-UHFFFAOYSA-N 0 0 419.481 5.323 40 0 HKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(F)cc4)c3)nc2c1 ZINC000017091822 560866466 /nfs/dbraw/zinc/86/64/66/560866466.db2.gz RQIWUPJRQUBPAV-UHFFFAOYSA-N 0 0 419.481 5.378 40 0 HKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4F)c3)nc2c1 ZINC000017091823 560866479 /nfs/dbraw/zinc/86/64/79/560866479.db2.gz GPSKRWUSJJYFEH-UHFFFAOYSA-N 0 0 419.481 5.378 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3o2)c1 ZINC000017091824 560866459 /nfs/dbraw/zinc/86/64/59/560866459.db2.gz YDMCBWBGKIDQEC-UHFFFAOYSA-N 0 0 419.481 5.378 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4F)ccc3o2)c1 ZINC000017091825 560866483 /nfs/dbraw/zinc/86/64/83/560866483.db2.gz DOMZLVNSUSPTFE-UHFFFAOYSA-N 0 0 419.481 5.378 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(F)cc4)ccc3o2)c1 ZINC000017091826 560866513 /nfs/dbraw/zinc/86/65/13/560866513.db2.gz IYWOSGMYMBKQPY-UHFFFAOYSA-N 0 0 419.481 5.378 40 0 HKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1cccc(Cl)c1 ZINC000017091849 560866534 /nfs/dbraw/zinc/86/65/34/560866534.db2.gz LJMKEQPXWSLCCD-UHFFFAOYSA-N 0 0 419.500 5.126 40 0 HKABRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccccc1Cl ZINC000017091850 560866517 /nfs/dbraw/zinc/86/65/17/560866517.db2.gz XQKDCLGXDLJCES-UHFFFAOYSA-N 0 0 419.500 5.126 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1Br ZINC000017091851 560866516 /nfs/dbraw/zinc/86/65/16/560866516.db2.gz LVFIIGTVRKCARE-UHFFFAOYSA-N 0 0 419.500 5.126 40 0 HKABRN COc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1Cl ZINC000017091852 560866530 /nfs/dbraw/zinc/86/65/30/560866530.db2.gz JIIROOGPKQYLHX-UHFFFAOYSA-N 0 0 419.500 5.126 40 0 HKABRN CCCC(=O)Nc1nc2ccc(NC(=O)COc3cccc4ccccc43)cc2s1 ZINC000017091872 560866539 /nfs/dbraw/zinc/86/65/39/560866539.db2.gz ZEDBIKTXCHQKIP-UHFFFAOYSA-N 0 0 419.506 5.206 40 0 HKABRN CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc4ccccc4c3)cc2s1 ZINC000017091874 560866544 /nfs/dbraw/zinc/86/65/44/560866544.db2.gz JBULXLRXVBOCHW-UHFFFAOYSA-N 0 0 419.506 5.206 40 0 HKABRN Cc1cc(NC(=S)NC(=O)c2ccccc2)cc(-c2nc3ccccc3s2)c1O ZINC000017091891 558820352 /nfs/dbraw/zinc/82/03/52/558820352.db2.gz QXARPYRNKQNUDQ-UHFFFAOYSA-N 0 0 419.531 5.104 40 0 HKABRN COc1cccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)c1 ZINC000017091894 558820374 /nfs/dbraw/zinc/82/03/74/558820374.db2.gz QTFJWTYDBSNAHX-UHFFFAOYSA-N 0 0 419.531 5.099 40 0 HKABRN COc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000017091895 558820340 /nfs/dbraw/zinc/82/03/40/558820340.db2.gz SWDDMJNYBYBAGQ-UHFFFAOYSA-N 0 0 419.531 5.099 40 0 HKABRN O=C(NC(=S)Nc1nc2ccccc2s1)c1cccc(OCc2ccccc2)c1 ZINC000017091896 560866554 /nfs/dbraw/zinc/86/65/54/560866554.db2.gz UUQKWOCEBWUXCS-UHFFFAOYSA-N 0 0 419.531 5.002 40 0 HKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)C=Cc1ccco1 ZINC000017091897 560866542 /nfs/dbraw/zinc/86/65/42/560866542.db2.gz CIHUWIIBIVBRDA-PKNBQFBNSA-N 0 0 419.531 5.391 40 0 HKABRN O=C(NC(=S)Nc1cccc(Br)c1)c1cccc2c(Cl)cccc12 ZINC000017091989 560866514 /nfs/dbraw/zinc/86/65/14/560866514.db2.gz MHVXKHPLUKXEDJ-UHFFFAOYSA-N 0 0 419.731 5.383 40 0 HKABRN O=C(NC(=S)Nc1ccccc1Br)c1cccc2c(Cl)cccc12 ZINC000017091990 560866549 /nfs/dbraw/zinc/86/65/49/560866549.db2.gz DSBQOFBCTJVANO-UHFFFAOYSA-N 0 0 419.731 5.383 40 0 HKABRN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1cccc2ccccc21 ZINC000017091991 560866523 /nfs/dbraw/zinc/86/65/23/560866523.db2.gz SEETYNHHEWJFHH-UHFFFAOYSA-N 0 0 419.731 5.383 40 0 HKABRN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc2ccccc2c1 ZINC000017091992 560866702 /nfs/dbraw/zinc/86/67/02/560866702.db2.gz PTLKYGSLVOFGIU-UHFFFAOYSA-N 0 0 419.731 5.383 40 0 HKABRN O=C(NC(=S)Nc1ccc(Br)cc1)c1cccc2c(Cl)cccc12 ZINC000017091993 560866747 /nfs/dbraw/zinc/86/67/47/560866747.db2.gz ILHNKKPKDVJWLZ-UHFFFAOYSA-N 0 0 419.731 5.383 40 0 HKABRN Cc1ccccc1C(=O)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000017092045 560866751 /nfs/dbraw/zinc/86/67/51/560866751.db2.gz GMBBJDNVMVYXJH-UHFFFAOYSA-N 0 0 419.956 5.223 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000017092047 560866704 /nfs/dbraw/zinc/86/67/04/560866704.db2.gz QOXBEOOPBFGBEN-UHFFFAOYSA-N 0 0 419.956 5.223 40 0 HKABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2nc3c(cccc3Cl)s2)cc1 ZINC000017092048 560866757 /nfs/dbraw/zinc/86/67/57/560866757.db2.gz XPJDJKLEFMAGJB-UHFFFAOYSA-N 0 0 419.959 5.111 40 0 HKABRN CCCOc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1 ZINC000017092049 558820535 /nfs/dbraw/zinc/82/05/35/558820535.db2.gz NJARFOPNZCVAPP-UHFFFAOYSA-N 0 0 419.959 5.174 40 0 HKABRN CCCOc1cccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)c1 ZINC000017092054 558820509 /nfs/dbraw/zinc/82/05/09/558820509.db2.gz QBLBJFBEDBXDEH-UHFFFAOYSA-N 0 0 419.959 5.174 40 0 HKABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2nc3c(cccc3Cl)s2)c1 ZINC000017092055 560866745 /nfs/dbraw/zinc/86/67/45/560866745.db2.gz BOFFVLMZFOAVQV-UHFFFAOYSA-N 0 0 419.959 5.111 40 0 HKABRN CCOc1ccc(C(=O)NC(=S)Nc2nc3c(cc(C)cc3C)s2)cc1Cl ZINC000017092056 560866718 /nfs/dbraw/zinc/86/67/18/560866718.db2.gz VSOPQQCPUNSRSE-UHFFFAOYSA-N 0 0 419.959 5.092 40 0 HKABRN O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1nc2c(cccc2Cl)s1 ZINC000017092065 560866723 /nfs/dbraw/zinc/86/67/23/560866723.db2.gz AIBMVVWNAZPSBS-UHFFFAOYSA-N 0 0 420.003 5.369 40 0 HKABRN Cc1nc(NC(=O)c2cccc3c(Br)cccc23)ccc1Br ZINC000017092071 560866761 /nfs/dbraw/zinc/86/67/61/560866761.db2.gz GSLGJDGDDYFSEG-UHFFFAOYSA-N 0 0 420.104 5.321 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc2c(Cl)cccc12 ZINC000017092098 560866822 /nfs/dbraw/zinc/86/68/22/560866822.db2.gz AOZKVGYIFZSEMY-UHFFFAOYSA-N 0 0 420.295 6.630 40 0 HKABRN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1c(F)c(F)c(F)c(F)c1F ZINC000017092123 527311812 /nfs/dbraw/zinc/31/18/12/527311812.db2.gz RODPQCHTCPZVSX-UHFFFAOYSA-N 0 0 420.362 5.911 40 0 HKABRN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1c(F)c(F)c(F)c(F)c1F ZINC000017092124 558820684 /nfs/dbraw/zinc/82/06/84/558820684.db2.gz QUDBTXSXBPJLBH-UHFFFAOYSA-N 0 0 420.362 5.911 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1 ZINC000017092128 526143699 /nfs/dbraw/zinc/14/36/99/526143699.db2.gz BZSBNNWAFYWELK-UHFFFAOYSA-N 0 0 420.378 5.468 40 0 HKABRN CCc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000017092129 560866793 /nfs/dbraw/zinc/86/67/93/560866793.db2.gz ZMUKBYMUUQBPMV-UHFFFAOYSA-N 0 0 420.378 5.413 40 0 HKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000017092130 560866811 /nfs/dbraw/zinc/86/68/11/560866811.db2.gz HUCVGVQDYDXDJZ-UHFFFAOYSA-N 0 0 420.378 5.468 40 0 HKABRN FC(F)Oc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)n(C3CCCC3)n2)cc1 ZINC000017092138 527695908 /nfs/dbraw/zinc/69/59/08/527695908.db2.gz KOPTZYDLXQDMOR-UHFFFAOYSA-N 0 0 420.406 6.535 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000017092189 560866923 /nfs/dbraw/zinc/86/69/23/560866923.db2.gz AXUZYGSYXULRJH-UHFFFAOYSA-N 0 0 420.475 5.621 40 0 HKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cccc2ccccc21 ZINC000017092273 560866981 /nfs/dbraw/zinc/86/69/81/560866981.db2.gz OKOCKELREIQYLL-UHFFFAOYSA-N 0 0 420.516 6.258 40 0 HKABRN CC(C)c1ccc(O)c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000017092308 560866946 /nfs/dbraw/zinc/86/69/46/560866946.db2.gz LWDUKVNNUMMGSM-UHFFFAOYSA-N 0 0 420.534 5.221 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 ZINC000017092316 560866933 /nfs/dbraw/zinc/86/69/33/560866933.db2.gz DHDHYLKSSRAOJD-LHHJGKSTSA-N 0 0 420.534 5.089 40 0 HKABRN CC(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000017092328 560866976 /nfs/dbraw/zinc/86/69/76/560866976.db2.gz BBPYILLUCKYQIJ-UHFFFAOYSA-N 0 0 420.534 5.221 40 0 HKABRN COc1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1NC(=O)c1cccs1 ZINC000017092355 560866913 /nfs/dbraw/zinc/86/69/13/560866913.db2.gz NZQHHFFRFILFRY-MDWZMJQESA-N 0 0 420.534 5.784 40 0 HKABRN O=C(Nc1nc(-c2cccc3ccccc32)cs1)C(c1ccccc1)c1ccccc1 ZINC000017092374 560866916 /nfs/dbraw/zinc/86/69/16/560866916.db2.gz HJWBDKQFZAYWPM-UHFFFAOYSA-N 0 0 420.537 6.734 40 0 HKABRN Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000017092424 560866930 /nfs/dbraw/zinc/86/69/30/560866930.db2.gz LNMYKKNULVLXBJ-UHFFFAOYSA-N 0 0 420.582 5.042 40 0 HKABRN O=C(Nc1ccc(NC(=O)c2cccnc2Cl)cc1)c1ccc(Cl)cc1Cl ZINC000017092427 560866936 /nfs/dbraw/zinc/86/69/36/560866936.db2.gz DIIKEVFBKOVPEE-UHFFFAOYSA-N 0 0 420.683 5.546 40 0 HKABRN O=C(Nc1cccc(NC(=O)c2cccnc2Cl)c1)c1ccc(Cl)cc1Cl ZINC000017092428 560866948 /nfs/dbraw/zinc/86/69/48/560866948.db2.gz PEMSVEXEFBPQFU-UHFFFAOYSA-N 0 0 420.683 5.546 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)c1cc2ccccc2c(Br)c1OC ZINC000017092429 560866952 /nfs/dbraw/zinc/86/69/52/560866952.db2.gz XDDSOLVLRNZALS-UHFFFAOYSA-N 0 0 420.690 5.525 40 0 HKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1c2ccccc2Sc2ccccc21 ZINC000017092439 132465216 /nfs/dbraw/zinc/46/52/16/132465216.db2.gz WSROIXFTFXLPPG-UHFFFAOYSA-N 0 0 420.843 7.194 40 0 HKABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000017092444 560866995 /nfs/dbraw/zinc/86/69/95/560866995.db2.gz ZRIBRPFELSTFOD-UHFFFAOYSA-N 0 0 420.852 5.599 40 0 HKABRN O=C(COc1ccccc1Cl)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000017092450 560867012 /nfs/dbraw/zinc/86/70/12/560867012.db2.gz DPRAZDFBWUAQGX-UHFFFAOYSA-N 0 0 420.852 5.356 40 0 HKABRN Cc1ccccc1-c1nc2cc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)ccc2o1 ZINC000017092475 560867004 /nfs/dbraw/zinc/86/70/04/560867004.db2.gz UQYGSZBBEBYYCS-UHFFFAOYSA-N 0 0 420.896 6.253 40 0 HKABRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(OC(C)C)cc4)c3)oc2c1 ZINC000017092476 560867009 /nfs/dbraw/zinc/86/70/09/560867009.db2.gz QNVXZZSXRJBNQQ-UHFFFAOYSA-N 0 0 420.896 6.496 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccc(Cl)c(C)c4)ccc3o2)c1 ZINC000017092477 560867023 /nfs/dbraw/zinc/86/70/23/560867023.db2.gz YXFVZXSFDQCNFX-UHFFFAOYSA-N 0 0 420.896 6.091 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4C)ccc3o2)c(C)c1 ZINC000017092484 560867021 /nfs/dbraw/zinc/86/70/21/560867021.db2.gz WKUATWYXQHOJRV-UHFFFAOYSA-N 0 0 420.896 6.091 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)c(C)c4)ccc3o2)c(C)c1 ZINC000017092485 560867038 /nfs/dbraw/zinc/86/70/38/560867038.db2.gz ZXHAPHYSPFIYCO-UHFFFAOYSA-N 0 0 420.896 6.091 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4C)ccc3o2)c1 ZINC000017092486 560867002 /nfs/dbraw/zinc/86/70/02/560867002.db2.gz VJUVFSAJTADDOC-UHFFFAOYSA-N 0 0 420.896 6.091 40 0 HKABRN CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(C)c4OC)c3)nc2c1 ZINC000017092488 560867010 /nfs/dbraw/zinc/86/70/10/560867010.db2.gz SYKJWXPTYVLUGP-UHFFFAOYSA-N 0 0 420.896 6.280 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nc3ccccc3o2)cc1 ZINC000017092491 560866994 /nfs/dbraw/zinc/86/69/94/560866994.db2.gz HBZXVHLBJNFGTC-UHFFFAOYSA-N 0 0 420.896 5.622 40 0 HKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(C)c(Cl)c1 ZINC000017092492 560866998 /nfs/dbraw/zinc/86/69/98/560866998.db2.gz DILXZUFGEVXCHX-UHFFFAOYSA-N 0 0 420.896 6.334 40 0 HKABRN Cc1ccc(-n2nc3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3n2)cc1 ZINC000017092497 560866996 /nfs/dbraw/zinc/86/69/96/560866996.db2.gz HSTZHJNMVXJAEJ-UHFFFAOYSA-N 0 0 420.900 5.178 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1Cl ZINC000017092519 560867017 /nfs/dbraw/zinc/86/70/17/560867017.db2.gz OVIQEIIXMDRHRA-UHFFFAOYSA-N 0 0 420.925 5.319 40 0 HKABRN Cc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)c1 ZINC000017092521 560866999 /nfs/dbraw/zinc/86/69/99/560866999.db2.gz MTHUUZFTIOJYBU-UHFFFAOYSA-N 0 0 420.925 5.319 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 ZINC000017092523 560867029 /nfs/dbraw/zinc/86/70/29/560867029.db2.gz SSSUMPOTOMVPAX-UHFFFAOYSA-N 0 0 420.925 5.319 40 0 HKABRN Cc1ccccc1C(=O)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl ZINC000017092524 560867035 /nfs/dbraw/zinc/86/70/35/560867035.db2.gz TZQDRWYFTYWVQE-UHFFFAOYSA-N 0 0 420.925 5.319 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c(Cl)c1 ZINC000017092525 560867042 /nfs/dbraw/zinc/86/70/42/560867042.db2.gz GKAMSFCJZRCRMI-UHFFFAOYSA-N 0 0 420.925 5.319 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c(Cl)c1 ZINC000017092526 560867032 /nfs/dbraw/zinc/86/70/32/560867032.db2.gz WDHZWTUGSKUHSA-UHFFFAOYSA-N 0 0 420.925 5.319 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Cl ZINC000017092527 560867015 /nfs/dbraw/zinc/86/70/15/560867015.db2.gz BOTPPMGBJVQQEX-UHFFFAOYSA-N 0 0 420.925 5.319 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(Cl)c1 ZINC000017092529 560867179 /nfs/dbraw/zinc/86/71/79/560867179.db2.gz IIBMYHMFTAVAGF-UHFFFAOYSA-N 0 0 420.940 6.451 40 0 HKABRN C[C@@H]1CCCCN1c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000017092530 560867169 /nfs/dbraw/zinc/86/71/69/560867169.db2.gz QTBNDMQTUOJVJT-QRURKXGXSA-N 0 0 420.940 6.631 40 0 HKABRN C[C@H]1CCCCN1c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000017092531 560867165 /nfs/dbraw/zinc/86/71/65/560867165.db2.gz QTBNDMQTUOJVJT-ZWFBASDOSA-N 0 0 420.940 6.631 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Cl ZINC000017092532 560867175 /nfs/dbraw/zinc/86/71/75/560867175.db2.gz PLJMZLIKCSPPII-UHFFFAOYSA-N 0 0 420.940 6.451 40 0 HKABRN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1Cl ZINC000017092533 560867182 /nfs/dbraw/zinc/86/71/82/560867182.db2.gz JWQYWNPWTQAKMI-UHFFFAOYSA-N 0 0 420.940 6.451 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3N3CCCCC3)o2)cc1Cl ZINC000017092534 560867176 /nfs/dbraw/zinc/86/71/76/560867176.db2.gz OLKOCLBUKCLUFK-WYMLVPIESA-N 0 0 420.940 6.551 40 0 HKABRN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c(Cl)c1 ZINC000017092535 560867183 /nfs/dbraw/zinc/86/71/83/560867183.db2.gz PFBDLSRWHXPACE-UHFFFAOYSA-N 0 0 420.940 6.451 40 0 HKABRN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1sc2ccccc2c1Cl ZINC000017092538 560867184 /nfs/dbraw/zinc/86/71/84/560867184.db2.gz BPHAAZLVWOETHL-UHFFFAOYSA-N 0 0 420.946 7.084 40 0 HKABRN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1sc2ccccc2c1Cl ZINC000017092539 560867155 /nfs/dbraw/zinc/86/71/55/560867155.db2.gz CFXYOZRGJQUPAL-UHFFFAOYSA-N 0 0 420.946 7.084 40 0 HKABRN CCc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1 ZINC000017092581 560867168 /nfs/dbraw/zinc/86/71/68/560867168.db2.gz OPKLYBQUQOIYTA-UHFFFAOYSA-N 0 0 421.294 6.072 40 0 HKABRN CCc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1 ZINC000017092582 560867178 /nfs/dbraw/zinc/86/71/78/560867178.db2.gz YMRYKTDIELJBDA-UHFFFAOYSA-N 0 0 421.294 6.072 40 0 HKABRN Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c1 ZINC000017092583 560867140 /nfs/dbraw/zinc/86/71/40/560867140.db2.gz UXXQFBHOLAFYPT-UHFFFAOYSA-N 0 0 421.294 6.126 40 0 HKABRN CCc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1 ZINC000017092584 560867151 /nfs/dbraw/zinc/86/71/51/560867151.db2.gz QEJJNOUNYZUVTK-UHFFFAOYSA-N 0 0 421.294 6.072 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cccc(Br)c4)ccc3o2)c1 ZINC000017092585 560867149 /nfs/dbraw/zinc/86/71/49/560867149.db2.gz JLSJZJDLHPFQQH-UHFFFAOYSA-N 0 0 421.294 6.126 40 0 HKABRN Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)c1 ZINC000017092586 560867167 /nfs/dbraw/zinc/86/71/67/560867167.db2.gz SBEOZTLOMPDIFY-UHFFFAOYSA-N 0 0 421.294 6.126 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(Br)cc4)ccc3o2)c1 ZINC000017092587 560867166 /nfs/dbraw/zinc/86/71/66/560867166.db2.gz NUADVZOGMCLGAV-UHFFFAOYSA-N 0 0 421.294 6.126 40 0 HKABRN NC(=O)c1c(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCC2 ZINC000017092596 560867170 /nfs/dbraw/zinc/86/71/70/560867170.db2.gz XDMSGNWRVIHRJU-UHFFFAOYSA-N 0 0 421.305 5.155 40 0 HKABRN Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(O)c1 ZINC000017092599 560867172 /nfs/dbraw/zinc/86/71/72/560867172.db2.gz WWDOCWRLKSRYGW-UHFFFAOYSA-N 0 0 421.305 5.394 40 0 HKABRN Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c(O)c1 ZINC000017092606 560867162 /nfs/dbraw/zinc/86/71/62/560867162.db2.gz HPXNXLDPEAVGIZ-UHFFFAOYSA-N 0 0 421.305 5.394 40 0 HKABRN O=C(C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)NCc1ccco1 ZINC000017092608 560867171 /nfs/dbraw/zinc/86/71/71/560867171.db2.gz XIXLPEABBFESHR-GQCTYLIASA-N 0 0 421.305 5.051 40 0 HKABRN O=C(C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)NCc1ccco1 ZINC000017092609 560867196 /nfs/dbraw/zinc/86/71/96/560867196.db2.gz XXAXGHNXIMJCRW-VMPITWQZSA-N 0 0 421.305 5.051 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(Br)cc2F)cc1 ZINC000017092624 560867215 /nfs/dbraw/zinc/86/72/15/560867215.db2.gz RNOLMPXKGSONJL-BJMVGYQFSA-N 0 0 421.335 5.238 40 0 HKABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(C(C)C)cc1 ZINC000017092632 560867211 /nfs/dbraw/zinc/86/72/11/560867211.db2.gz OVNFLFWCPLNLHT-UHFFFAOYSA-N 0 0 421.360 5.016 40 0 HKABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccccc1C(C)C ZINC000017092633 560867200 /nfs/dbraw/zinc/86/72/00/560867200.db2.gz NJNMUDJKDNEVFY-UHFFFAOYSA-N 0 0 421.360 5.016 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc(C)c1Cl ZINC000017092637 558821135 /nfs/dbraw/zinc/82/11/35/558821135.db2.gz WPOLKGFETNPDGP-UHFFFAOYSA-N 0 0 421.368 5.864 40 0 HKABRN CC1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2Cl)CC1 ZINC000017092638 560867222 /nfs/dbraw/zinc/86/72/22/560867222.db2.gz SOZRXFFZFAJDTM-UHFFFAOYSA-N 0 0 421.368 6.026 40 0 HKABRN Cc1c(-c2ccc(C)cc2)nn(Cc2ccc(Cl)cc2Cl)c1-c1ccc(C)cc1 ZINC000017092640 559122757 /nfs/dbraw/zinc/12/27/57/559122757.db2.gz IHJJIQXMRHRIMO-UHFFFAOYSA-N 0 0 421.371 7.497 40 0 HKABRN O=C(NC(=S)Nc1nc2ccc(F)cc2s1)C(c1ccccc1)c1ccccc1 ZINC000017092736 560867253 /nfs/dbraw/zinc/86/72/53/560867253.db2.gz WJWPLIUICONQOV-UHFFFAOYSA-N 0 0 421.522 5.081 40 0 HKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1cccc(F)c1 ZINC000017092737 560867405 /nfs/dbraw/zinc/86/74/05/560867405.db2.gz FPWNIBZKAXJKIR-UHFFFAOYSA-N 0 0 421.522 5.538 40 0 HKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccccc1F ZINC000017092738 560867384 /nfs/dbraw/zinc/86/73/84/560867384.db2.gz JZQLERJRRXSTEM-UHFFFAOYSA-N 0 0 421.522 5.538 40 0 HKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccc(F)cc1 ZINC000017092739 560867382 /nfs/dbraw/zinc/86/73/82/560867382.db2.gz UFWOUBRNNTVEHQ-UHFFFAOYSA-N 0 0 421.522 5.538 40 0 HKABRN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4cccs4)c3C)oc2cc1C ZINC000017092770 560867372 /nfs/dbraw/zinc/86/73/72/560867372.db2.gz YPWFBSRGJSEZCO-UHFFFAOYSA-N 0 0 421.547 5.608 40 0 HKABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1nc2c(s1)c(C)ccc2C ZINC000017092772 560867378 /nfs/dbraw/zinc/86/73/78/560867378.db2.gz WNLWLRKXBMIRRD-UHFFFAOYSA-N 0 0 421.547 5.202 40 0 HKABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1nc2c(cc(C)cc2C)s1 ZINC000017092775 560867422 /nfs/dbraw/zinc/86/74/22/560867422.db2.gz PAWPKXGJFAKUEK-UHFFFAOYSA-N 0 0 421.547 5.202 40 0 HKABRN CC(C)c1ccc(C=CC(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000017092801 560867393 /nfs/dbraw/zinc/86/73/93/560867393.db2.gz IZHSZWPRPHUMKB-AWNIVKPZSA-N 0 0 421.610 5.573 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 ZINC000017092802 560867380 /nfs/dbraw/zinc/86/73/80/560867380.db2.gz QGNLJSNEXJKKLB-HVRVZBDQSA-N 0 0 421.610 5.715 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 ZINC000017092803 560867402 /nfs/dbraw/zinc/86/74/02/560867402.db2.gz QGNLJSNEXJKKLB-SCFJZMLDSA-N 0 0 421.610 5.715 40 0 HKABRN CC(C)c1ccc(C=CC(=O)NC(=S)Nc2ccccc2N2CCC(C)CC2)cc1 ZINC000017092804 560867395 /nfs/dbraw/zinc/86/73/95/560867395.db2.gz FBIAQQOBWFOMLR-JLHYYAGUSA-N 0 0 421.610 5.573 40 0 HKABRN Cc1cc(I)ccc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000017092809 560867370 /nfs/dbraw/zinc/86/73/70/560867370.db2.gz BBIKQNKNTQIWMH-UHFFFAOYSA-N 0 0 421.665 5.659 40 0 HKABRN O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000017092873 560867479 /nfs/dbraw/zinc/86/74/79/560867479.db2.gz VMTVBHFDQRZGEN-UHFFFAOYSA-N 0 0 422.106 5.022 40 0 HKABRN O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccc(Cl)cc1Cl ZINC000017092874 560867437 /nfs/dbraw/zinc/86/74/37/560867437.db2.gz NUBNKBBDMGTSDQ-UHFFFAOYSA-N 0 0 422.106 5.022 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1Br ZINC000017092889 560867481 /nfs/dbraw/zinc/86/74/81/560867481.db2.gz BECJOSUWUFKICC-UHFFFAOYSA-N 0 0 422.282 5.253 40 0 HKABRN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1c(F)c(F)c(F)c(F)c1F ZINC000017092890 558821429 /nfs/dbraw/zinc/82/14/29/558821429.db2.gz GWMFCRLRIQWGOB-UHFFFAOYSA-N 0 0 422.284 5.582 40 0 HKABRN O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1c(F)c(F)c(F)c(F)c1F ZINC000017092891 558821420 /nfs/dbraw/zinc/82/14/20/558821420.db2.gz ICXQXOXOMIZJCI-UHFFFAOYSA-N 0 0 422.284 5.582 40 0 HKABRN O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1c(F)c(F)c(F)c(F)c1F ZINC000017092892 558821430 /nfs/dbraw/zinc/82/14/30/558821430.db2.gz HWEAMGLJMVRJFS-UHFFFAOYSA-N 0 0 422.284 5.582 40 0 HKABRN Cc1nn2c(ncc3c2C[C@@H](c2cccc(Cl)c2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000017092907 560867443 /nfs/dbraw/zinc/86/74/43/560867443.db2.gz ICPUTEPUTVBGSV-MRXNPFEDSA-N 0 0 422.315 5.924 40 0 HKABRN Cc1nn2c(ncc3c2C[C@H](c2cccc(Cl)c2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000017092908 560867457 /nfs/dbraw/zinc/86/74/57/560867457.db2.gz ICPUTEPUTVBGSV-INIZCTEOSA-N 0 0 422.315 5.924 40 0 HKABRN Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=S)NC(=O)C(C)C ZINC000017092911 560867478 /nfs/dbraw/zinc/86/74/78/560867478.db2.gz CWPBPSSMMCWLJQ-UHFFFAOYSA-N 0 0 422.337 5.579 40 0 HKABRN Cc1c(NC(=S)NC(=O)C(C)C)cccc1-c1nc2cc(Cl)cc(Cl)c2o1 ZINC000017092912 560867476 /nfs/dbraw/zinc/86/74/76/560867476.db2.gz QOJJJKZGRMZRPN-UHFFFAOYSA-N 0 0 422.337 5.579 40 0 HKABRN CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000017092913 560867460 /nfs/dbraw/zinc/86/74/60/560867460.db2.gz MEKRBRLZAPOTTQ-UHFFFAOYSA-N 0 0 422.337 5.661 40 0 HKABRN CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 ZINC000017092915 560867454 /nfs/dbraw/zinc/86/74/54/560867454.db2.gz ACBPCKZHJXQPST-UHFFFAOYSA-N 0 0 422.337 5.661 40 0 HKABRN CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000017092916 560867472 /nfs/dbraw/zinc/86/74/72/560867472.db2.gz QABKOTDSMXIBNW-UHFFFAOYSA-N 0 0 422.337 5.661 40 0 HKABRN CC(C)(C)C(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 ZINC000017092917 560867433 /nfs/dbraw/zinc/86/74/33/560867433.db2.gz GJVPHDJPXVSDQH-UHFFFAOYSA-N 0 0 422.337 5.661 40 0 HKABRN CC(C)(C)C(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000017092918 560867482 /nfs/dbraw/zinc/86/74/82/560867482.db2.gz YLKPZJSDLCJVKT-UHFFFAOYSA-N 0 0 422.337 5.661 40 0 HKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000017092940 560867474 /nfs/dbraw/zinc/86/74/74/560867474.db2.gz RWBSARZBAIQOQY-CYBMUJFWSA-N 0 0 422.381 5.499 40 0 HKABRN C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000017092941 560867602 /nfs/dbraw/zinc/86/76/02/560867602.db2.gz RWBSARZBAIQOQY-ZDUSSCGKSA-N 0 0 422.381 5.499 40 0 HKABRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Cl)cc2Cl)CC1 ZINC000017092942 560867565 /nfs/dbraw/zinc/86/75/65/560867565.db2.gz VWJPYSZOLNGBCE-UHFFFAOYSA-N 0 0 422.381 5.357 40 0 HKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000017092943 560867618 /nfs/dbraw/zinc/86/76/18/560867618.db2.gz KJMZWTCEWDECNX-CYBMUJFWSA-N 0 0 422.381 5.499 40 0 HKABRN C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000017092944 560867621 /nfs/dbraw/zinc/86/76/21/560867621.db2.gz KJMZWTCEWDECNX-ZDUSSCGKSA-N 0 0 422.381 5.499 40 0 HKABRN CC1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3)cc2Cl)CC1 ZINC000017092946 560867605 /nfs/dbraw/zinc/86/76/05/560867605.db2.gz OXLSNJPWIWYUSR-UHFFFAOYSA-N 0 0 422.381 5.357 40 0 HKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000017092947 560867572 /nfs/dbraw/zinc/86/75/72/560867572.db2.gz KZVKMIBEIAEZIF-CYBMUJFWSA-N 0 0 422.381 5.499 40 0 HKABRN C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000017092948 560867616 /nfs/dbraw/zinc/86/76/16/560867616.db2.gz KZVKMIBEIAEZIF-ZDUSSCGKSA-N 0 0 422.381 5.499 40 0 HKABRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3)cc2Cl)CC1 ZINC000017092949 560867614 /nfs/dbraw/zinc/86/76/14/560867614.db2.gz GKTIUNRWFBVJTH-UHFFFAOYSA-N 0 0 422.381 5.357 40 0 HKABRN O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)C(c1ccccc1)c1ccccc1 ZINC000017093033 560867588 /nfs/dbraw/zinc/86/75/88/560867588.db2.gz YPAIGDPTUHHKLS-UHFFFAOYSA-N 0 0 422.463 5.330 40 0 HKABRN CCc1ccc2oc(-c3ccc(NC(=O)COc4cccc5ccccc54)cc3)nc2c1 ZINC000017093063 560867592 /nfs/dbraw/zinc/86/75/92/560867592.db2.gz TYAVPDKVMSDTKQ-UHFFFAOYSA-N 0 0 422.484 6.228 40 0 HKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cccc2ccccc21 ZINC000017093065 560867599 /nfs/dbraw/zinc/86/75/99/560867599.db2.gz UYUTVIMHFIPUBM-UHFFFAOYSA-N 0 0 422.484 6.526 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)c(C)c1 ZINC000017093066 560867568 /nfs/dbraw/zinc/86/75/68/560867568.db2.gz VFBVQEIKZUAFOW-UHFFFAOYSA-N 0 0 422.484 6.282 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccc5ccccc5c4)ccc3o2)c1 ZINC000017093067 560867603 /nfs/dbraw/zinc/86/76/03/560867603.db2.gz JLUQMQMJLNQMPV-UHFFFAOYSA-N 0 0 422.484 6.282 40 0 HKABRN CCCOc1cccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)c1 ZINC000017093068 560867612 /nfs/dbraw/zinc/86/76/12/560867612.db2.gz CCAVAXVVZXDFOX-UHFFFAOYSA-N 0 0 422.484 6.689 40 0 HKABRN Cc1cccc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)c1C ZINC000017093069 560867632 /nfs/dbraw/zinc/86/76/32/560867632.db2.gz KLGSUAJXHMAQMJ-UHFFFAOYSA-N 0 0 422.484 6.282 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)cc1C ZINC000017093070 560867597 /nfs/dbraw/zinc/86/75/97/560867597.db2.gz PQJVHQNIAPIPRR-UHFFFAOYSA-N 0 0 422.484 6.282 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)COc4cccc5ccccc54)ccc3o2)c(C)c1 ZINC000017093071 560867571 /nfs/dbraw/zinc/86/75/71/560867571.db2.gz GXJVBRYPSMOMQS-UHFFFAOYSA-N 0 0 422.484 6.282 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)COc4ccc5ccccc5c4)ccc3o2)c(C)c1 ZINC000017093072 560867575 /nfs/dbraw/zinc/86/75/75/560867575.db2.gz ZFKJYDKOCMHXTN-UHFFFAOYSA-N 0 0 422.484 6.282 40 0 HKABRN Cc1cc2nc(-c3cccc(NC(=O)COc4ccc5ccccc5c4)c3)oc2cc1C ZINC000017093073 560867607 /nfs/dbraw/zinc/86/76/07/560867607.db2.gz UOPNJZSGBXROCR-UHFFFAOYSA-N 0 0 422.484 6.282 40 0 HKABRN Cc1cc(C)cc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)c1 ZINC000017093074 560867696 /nfs/dbraw/zinc/86/76/96/560867696.db2.gz XYHAPGKVVMFZEI-UHFFFAOYSA-N 0 0 422.484 6.282 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(-c3cc(C)cc(C)c3)nc2c1 ZINC000017093075 560867681 /nfs/dbraw/zinc/86/76/81/560867681.db2.gz RHOGHRMYKQLJOT-UHFFFAOYSA-N 0 0 422.484 6.526 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)cc1 ZINC000017093076 560867693 /nfs/dbraw/zinc/86/76/93/560867693.db2.gz GEGLKJSNWMCRJF-UHFFFAOYSA-N 0 0 422.484 6.689 40 0 HKABRN CCc1ccc2oc(-c3cccc(NC(=O)COc4cccc5ccccc54)c3)nc2c1 ZINC000017093077 560867677 /nfs/dbraw/zinc/86/76/77/560867677.db2.gz UVMGFDSMGCUGRS-UHFFFAOYSA-N 0 0 422.484 6.228 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4cccc5ccccc54)ccc3o2)c1 ZINC000017093078 560867687 /nfs/dbraw/zinc/86/76/87/560867687.db2.gz WQRMFPYQOXHVTO-UHFFFAOYSA-N 0 0 422.484 6.282 40 0 HKABRN CCc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)cc1 ZINC000017093079 560867702 /nfs/dbraw/zinc/86/77/02/560867702.db2.gz WARYNKFFAKLLBT-UHFFFAOYSA-N 0 0 422.484 6.228 40 0 HKABRN CCc1ccc(-c2nc3cc(NC(=O)COc4cccc5ccccc54)ccc3o2)cc1 ZINC000017093080 560867712 /nfs/dbraw/zinc/86/77/12/560867712.db2.gz HTPKFVPOWXKXFS-UHFFFAOYSA-N 0 0 422.484 6.228 40 0 HKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc2ccccc2c1 ZINC000017093081 560867692 /nfs/dbraw/zinc/86/76/92/560867692.db2.gz UXUCJPZNWDBQPT-UHFFFAOYSA-N 0 0 422.484 6.526 40 0 HKABRN CCc1ccc(-n2nc3ccc(NC(=O)COc4cccc5ccccc54)cc3n2)cc1 ZINC000017093089 560867707 /nfs/dbraw/zinc/86/77/07/560867707.db2.gz PQFJEYCHNSUXRP-UHFFFAOYSA-N 0 0 422.488 5.154 40 0 HKABRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc2ccccc2c1 ZINC000017093141 560867676 /nfs/dbraw/zinc/86/76/76/560867676.db2.gz OVFGPDHBDRMDJW-UHFFFAOYSA-N 0 0 422.513 5.510 40 0 HKABRN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc2ccccc2c1 ZINC000017093143 560867704 /nfs/dbraw/zinc/86/77/04/560867704.db2.gz FXKHDRXNFLYCOV-UHFFFAOYSA-N 0 0 422.513 5.510 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1Br ZINC000017093272 560867844 /nfs/dbraw/zinc/86/78/44/560867844.db2.gz FIBVHKFELJDSRK-UHFFFAOYSA-N 0 0 422.628 5.772 40 0 HKABRN COc1c(C)cc(Br)cc1C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000017093273 560867830 /nfs/dbraw/zinc/86/78/30/560867830.db2.gz IEPFZAXOHKZYEB-UHFFFAOYSA-N 0 0 422.628 5.691 40 0 HKABRN Cc1nc(NC(=O)c2cccc3c(Cl)cccc23)ccc1I ZINC000017093274 560867833 /nfs/dbraw/zinc/86/78/33/560867833.db2.gz ZENWYOXSARTDMX-UHFFFAOYSA-N 0 0 422.653 5.054 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000017093277 560867852 /nfs/dbraw/zinc/86/78/52/560867852.db2.gz WPKZRKZDGKBKHI-QPJJXVBHSA-N 0 0 422.695 6.567 40 0 HKABRN COc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1Cl ZINC000017093278 560867857 /nfs/dbraw/zinc/86/78/57/560867857.db2.gz TYIRTYFAENDXGB-QPJJXVBHSA-N 0 0 422.695 6.567 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017093279 560867869 /nfs/dbraw/zinc/86/78/69/560867869.db2.gz LFAWJLNEFKVHTC-WEVVVXLNSA-N 0 0 422.695 6.567 40 0 HKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000017093280 560867840 /nfs/dbraw/zinc/86/78/40/560867840.db2.gz KNDPGNWKUXBKRF-UHFFFAOYSA-N 0 0 422.695 6.700 40 0 HKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Br)cc1Cl ZINC000017093285 560867846 /nfs/dbraw/zinc/86/78/46/560867846.db2.gz UHXJSCABXRJFNV-UHFFFAOYSA-N 0 0 422.750 6.168 40 0 HKABRN O=C(NC(=S)Nc1ccccc1OC(F)F)c1ccc(-c2cccc(Cl)c2)o1 ZINC000017093290 560867824 /nfs/dbraw/zinc/86/78/24/560867824.db2.gz XJTLXOVXWHWWTL-UHFFFAOYSA-N 0 0 422.840 5.328 40 0 HKABRN O=C(NC(=S)Nc1ccccc1OC(F)F)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000017093291 560867832 /nfs/dbraw/zinc/86/78/32/560867832.db2.gz CBUAJTTUPFBVQN-UHFFFAOYSA-N 0 0 422.840 5.328 40 0 HKABRN COc1cccc(OC)c1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(C)cc3o2)c1 ZINC000017093297 558821662 /nfs/dbraw/zinc/82/16/62/558821662.db2.gz XKPFHGMDQSTDIV-UHFFFAOYSA-N 0 0 422.868 5.726 40 0 HKABRN COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccc(C)c(Cl)c3)nc2c1 ZINC000017093299 558821648 /nfs/dbraw/zinc/82/16/48/558821648.db2.gz DSCMNDGMTYPFNZ-UHFFFAOYSA-N 0 0 422.868 5.726 40 0 HKABRN COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccc(C)cc3Cl)nc2c1 ZINC000017093300 558821638 /nfs/dbraw/zinc/82/16/38/558821638.db2.gz JFHFOZDEFUWZAO-UHFFFAOYSA-N 0 0 422.868 5.726 40 0 HKABRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccccc4F)cc3n2)cc1 ZINC000017093325 558821815 /nfs/dbraw/zinc/82/18/15/558821815.db2.gz ZOZQMAXMXYTVIG-UHFFFAOYSA-N 0 0 422.891 5.808 40 0 HKABRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccc(F)c4)cc3n2)cc1 ZINC000017093326 558821843 /nfs/dbraw/zinc/82/18/43/558821843.db2.gz JALWBWABHAOHCL-UHFFFAOYSA-N 0 0 422.891 5.808 40 0 HKABRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000017093327 560867816 /nfs/dbraw/zinc/86/78/16/560867816.db2.gz LGTLSYWQBOCUGN-UHFFFAOYSA-N 0 0 422.893 5.586 40 0 HKABRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(-c2cccc(Cl)c2)o1 ZINC000017093328 560867827 /nfs/dbraw/zinc/86/78/27/560867827.db2.gz SHNLTYYPSRNNGY-UHFFFAOYSA-N 0 0 422.893 5.586 40 0 HKABRN O=C(/C=C/c1ccco1)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl ZINC000017093335 560867849 /nfs/dbraw/zinc/86/78/49/560867849.db2.gz YBQKSISSAQEPKJ-CSKARUKUSA-N 0 0 422.897 5.003 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(NC(=O)C(C)C)c3)o2)cc1Cl ZINC000017093339 560867936 /nfs/dbraw/zinc/86/79/36/560867936.db2.gz MUMUMTLEFITAEG-ZRDIBKRKSA-N 0 0 422.912 6.155 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000017093340 560867941 /nfs/dbraw/zinc/86/79/41/560867941.db2.gz JXCQNVVQLNGXAZ-UHFFFAOYSA-N 0 0 422.912 5.317 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(CN2CCOCC2)cc1 ZINC000017093341 560867917 /nfs/dbraw/zinc/86/79/17/560867917.db2.gz JETPEWBTKVHWKV-ZRDIBKRKSA-N 0 0 422.912 5.084 40 0 HKABRN Cc1ccccc1C(=O)Nc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000017093342 560867923 /nfs/dbraw/zinc/86/79/23/560867923.db2.gz PDQFQANLLLLSSU-UHFFFAOYSA-N 0 0 422.912 5.697 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3N3CCOCC3)o2)cc1Cl ZINC000017093343 560867925 /nfs/dbraw/zinc/86/79/25/560867925.db2.gz PBZDTNYLEANZMY-PKNBQFBNSA-N 0 0 422.912 5.397 40 0 HKABRN Cc1cccc(C(=O)Nc2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)c1 ZINC000017093344 560867920 /nfs/dbraw/zinc/86/79/20/560867920.db2.gz WRMWMFASBFXNDD-UHFFFAOYSA-N 0 0 422.912 5.697 40 0 HKABRN Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1NC(=O)c1ccccc1 ZINC000017093347 560867921 /nfs/dbraw/zinc/86/79/21/560867921.db2.gz BVIMPBZLJDDCHH-UHFFFAOYSA-N 0 0 422.912 5.697 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(NC(=O)C(C)C)cc3)o2)cc1Cl ZINC000017093348 560867927 /nfs/dbraw/zinc/86/79/27/560867927.db2.gz VCJNNWFCCOWTHT-ACCUITESSA-N 0 0 422.912 6.155 40 0 HKABRN CCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000017093349 560867937 /nfs/dbraw/zinc/86/79/37/560867937.db2.gz VDGMWXMIQRPWAM-ACCUITESSA-N 0 0 422.912 6.299 40 0 HKABRN CCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000017093350 560867924 /nfs/dbraw/zinc/86/79/24/560867924.db2.gz FWHVTKLIODVDPF-WYMLVPIESA-N 0 0 422.912 6.299 40 0 HKABRN COc1ccccc1-c1cc(-c2ccccc2OC)n(Cn2nc(C)c(Cl)c2C)n1 ZINC000017093353 559122723 /nfs/dbraw/zinc/12/27/23/559122723.db2.gz XYWOAFUGLPEEMT-UHFFFAOYSA-N 0 0 422.916 5.207 40 0 HKABRN Cc1cccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1C ZINC000017093366 560867929 /nfs/dbraw/zinc/86/79/29/560867929.db2.gz ANDSEAQWPIAHOV-UHFFFAOYSA-N 0 0 422.937 6.251 40 0 HKABRN Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 ZINC000017093369 560867932 /nfs/dbraw/zinc/86/79/32/560867932.db2.gz OEAKYNOLBXTAIO-UHFFFAOYSA-N 0 0 422.937 6.251 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)ccc1Cl ZINC000017093374 560867940 /nfs/dbraw/zinc/86/79/40/560867940.db2.gz NQSZUUSVWJNPGF-UHFFFAOYSA-N 0 0 422.937 6.251 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000017093376 560867919 /nfs/dbraw/zinc/86/79/19/560867919.db2.gz IQMCZVDDOKTPHR-UHFFFAOYSA-N 0 0 422.937 6.413 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000017093377 560867934 /nfs/dbraw/zinc/86/79/34/560867934.db2.gz FPQAAYYCGKMNAG-UHFFFAOYSA-N 0 0 422.937 6.413 40 0 HKABRN CCc1ccc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000017093378 560867938 /nfs/dbraw/zinc/86/79/38/560867938.db2.gz QQEIIBAEEIPPAZ-UHFFFAOYSA-N 0 0 422.937 6.197 40 0 HKABRN Cc1cc(OCC(=O)Nc2nc(-c3cccc4ccccc43)cs2)cc(C)c1Cl ZINC000017093379 560867947 /nfs/dbraw/zinc/86/79/47/560867947.db2.gz CBGAVQPPEMDUTP-UHFFFAOYSA-N 0 0 422.937 6.251 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c(C)c1 ZINC000017093381 560867926 /nfs/dbraw/zinc/86/79/26/560867926.db2.gz YQFXMATWPIUMFW-UHFFFAOYSA-N 0 0 422.937 6.251 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1C ZINC000017093383 560867945 /nfs/dbraw/zinc/86/79/45/560867945.db2.gz SIJUVVVDDDLFGE-UHFFFAOYSA-N 0 0 422.937 6.251 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000017093384 560867933 /nfs/dbraw/zinc/86/79/33/560867933.db2.gz SCMIGSSAGKQJKZ-UHFFFAOYSA-N 0 0 422.937 6.413 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1C ZINC000017093385 560867951 /nfs/dbraw/zinc/86/79/51/560867951.db2.gz WIIIHYPUOQVEKJ-UHFFFAOYSA-N 0 0 422.937 6.251 40 0 HKABRN Cc1cc(OCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc(C)c1Cl ZINC000017093386 560867942 /nfs/dbraw/zinc/86/79/42/560867942.db2.gz GIGQQVMAMGYHOZ-UHFFFAOYSA-N 0 0 422.937 6.251 40 0 HKABRN Cc1cc(C)cc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 ZINC000017093387 560867949 /nfs/dbraw/zinc/86/79/49/560867949.db2.gz GENNOVGBLRFFKF-UHFFFAOYSA-N 0 0 422.937 6.251 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)CSc4ccc(Cl)cc4)ccc3o2)c1 ZINC000017093390 560867928 /nfs/dbraw/zinc/86/79/28/560867928.db2.gz BRNDEJVFGONXJF-UHFFFAOYSA-N 0 0 422.937 6.496 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)CSc4ccc(Cl)cc4)ccc3o2)c(C)c1 ZINC000017093394 560867953 /nfs/dbraw/zinc/86/79/53/560867953.db2.gz QIQQEQYVXAMSEG-UHFFFAOYSA-N 0 0 422.937 6.496 40 0 HKABRN CC(C)Oc1cccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 ZINC000017093395 560867935 /nfs/dbraw/zinc/86/79/35/560867935.db2.gz ZLGHORULDWIMGA-UHFFFAOYSA-N 0 0 422.937 6.656 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000017093396 560867948 /nfs/dbraw/zinc/86/79/48/560867948.db2.gz VWKUFFYHAVIPCT-UHFFFAOYSA-N 0 0 422.937 6.658 40 0 HKABRN CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000017093398 560867922 /nfs/dbraw/zinc/86/79/22/560867922.db2.gz BTTSJVPHMKJPFL-UHFFFAOYSA-N 0 0 422.937 6.656 40 0 HKABRN Cc1ccc(C)c2sc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)nc21 ZINC000017093400 560867943 /nfs/dbraw/zinc/86/79/43/560867943.db2.gz WQZBBXRFZMHMIP-PKNBQFBNSA-N 0 0 422.937 6.787 40 0 HKABRN Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1C ZINC000017093401 560868044 /nfs/dbraw/zinc/86/80/44/560868044.db2.gz ZTZCGNADUDTHTQ-UHFFFAOYSA-N 0 0 422.937 6.251 40 0 HKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)COc1ccc(Cl)cc1C ZINC000017093402 560868080 /nfs/dbraw/zinc/86/80/80/560868080.db2.gz BKFVULWIXSIPSH-UHFFFAOYSA-N 0 0 422.937 6.251 40 0 HKABRN CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c(C)c1 ZINC000017093414 560868057 /nfs/dbraw/zinc/86/80/57/560868057.db2.gz TVUHBJQOQRTTJE-SDNWHVSQSA-N 0 0 422.956 6.715 40 0 HKABRN O=C(Nc1ccc(Br)cc1F)c1cccc2c(Br)cccc12 ZINC000017093427 560868089 /nfs/dbraw/zinc/86/80/89/560868089.db2.gz DLSVNAHSXSACJS-UHFFFAOYSA-N 0 0 423.079 5.756 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl ZINC000017093432 560868063 /nfs/dbraw/zinc/86/80/63/560868063.db2.gz YIUARLMKXFZNRH-UHFFFAOYSA-N 0 0 423.123 5.943 40 0 HKABRN COc1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1Cl ZINC000017093433 560868052 /nfs/dbraw/zinc/86/80/52/560868052.db2.gz GRPDCRHXHAQGKU-UHFFFAOYSA-N 0 0 423.123 5.943 40 0 HKABRN COc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1Cl ZINC000017093437 560868088 /nfs/dbraw/zinc/86/80/88/560868088.db2.gz IKABMJVDPXVWEB-UHFFFAOYSA-N 0 0 423.243 5.148 40 0 HKABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl ZINC000017093438 560868037 /nfs/dbraw/zinc/86/80/37/560868037.db2.gz DVOZCFCCLXABPE-UHFFFAOYSA-N 0 0 423.243 5.148 40 0 HKABRN Cc1cc(NC(=O)c2ccc(OCC(C)C)cc2)c(C)cc1I ZINC000017093458 560868086 /nfs/dbraw/zinc/86/80/86/560868086.db2.gz DJFDHNDDENGCHP-UHFFFAOYSA-N 0 0 423.294 5.195 40 0 HKABRN CCc1cc(I)ccc1NC(=O)c1ccc(OCC(C)C)cc1 ZINC000017093459 560868067 /nfs/dbraw/zinc/86/80/67/560868067.db2.gz AYMIVOAGEGXPHU-UHFFFAOYSA-N 0 0 423.294 5.141 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2cc(C)c(I)cc2C)c1 ZINC000017093460 560868050 /nfs/dbraw/zinc/86/80/50/560868050.db2.gz AINIMVUEMINFGG-UHFFFAOYSA-N 0 0 423.294 5.339 40 0 HKABRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(-c2ccccc2)cc1 ZINC000017093461 560868054 /nfs/dbraw/zinc/86/80/54/560868054.db2.gz AMKFHDZIDQAFCT-UHFFFAOYSA-N 0 0 423.295 7.277 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccc(-c2nc3ccccc3o2)cc1 ZINC000017093462 560868074 /nfs/dbraw/zinc/86/80/74/560868074.db2.gz XCFHEISZMAVMQV-ZRDIBKRKSA-N 0 0 423.299 6.131 40 0 HKABRN CC(C)(C)C(=O)Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 ZINC000017093469 560868062 /nfs/dbraw/zinc/86/80/62/560868062.db2.gz FEPIUUAOFQMIAC-UHFFFAOYSA-N 0 0 423.310 6.395 40 0 HKABRN COc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 ZINC000017093472 560868039 /nfs/dbraw/zinc/86/80/39/560868039.db2.gz JDTSRMSYVJMTTK-LLVKDONJSA-N 0 0 423.321 5.532 40 0 HKABRN COc1ccc(-c2csc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 ZINC000017093473 560868041 /nfs/dbraw/zinc/86/80/41/560868041.db2.gz JDTSRMSYVJMTTK-NSHDSACASA-N 0 0 423.321 5.532 40 0 HKABRN C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 ZINC000017093490 560868158 /nfs/dbraw/zinc/86/81/58/560868158.db2.gz CPZGMOHYDKVESY-MRXNPFEDSA-N 0 0 423.354 6.233 40 0 HKABRN C[C@H]1CCCCN1c1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 ZINC000017093491 560868183 /nfs/dbraw/zinc/86/81/83/560868183.db2.gz CPZGMOHYDKVESY-INIZCTEOSA-N 0 0 423.354 6.233 40 0 HKABRN CCCCCC(=O)NC(=S)NCc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 ZINC000017093676 560868332 /nfs/dbraw/zinc/86/83/32/560868332.db2.gz KVZUSELOTFZKAO-UHFFFAOYSA-N 0 0 423.582 5.689 40 0 HKABRN CCCN1CN(c2nc3ccc(C)cc3s2)CN(c2nc3ccc(C)cc3s2)C1 ZINC000017093698 560868343 /nfs/dbraw/zinc/86/83/43/560868343.db2.gz NGJSGLDTXSFTHC-UHFFFAOYSA-N 0 0 423.611 5.434 40 0 HKABRN O=C(Nc1nc2c(cccc2Cl)s1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000017093700 560868341 /nfs/dbraw/zinc/86/83/41/560868341.db2.gz BXDQNUANINBNOI-UHFFFAOYSA-N 0 0 423.708 6.769 40 0 HKABRN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017093701 560868331 /nfs/dbraw/zinc/86/83/31/560868331.db2.gz QMFXJGBWANXYJQ-UHFFFAOYSA-N 0 0 423.708 6.769 40 0 HKABRN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000017093702 560868329 /nfs/dbraw/zinc/86/83/29/560868329.db2.gz PGDPQGNUVFKOFK-UHFFFAOYSA-N 0 0 423.708 6.769 40 0 HKABRN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000017093703 560868337 /nfs/dbraw/zinc/86/83/37/560868337.db2.gz PXFUSTCWUZVQPF-UHFFFAOYSA-N 0 0 423.708 6.769 40 0 HKABRN O=C(COc1ccccc1Cl)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000017093704 560868322 /nfs/dbraw/zinc/86/83/22/560868322.db2.gz NRTJTFQJGPMPDJ-UHFFFAOYSA-N 0 0 423.719 5.244 40 0 HKABRN CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000017093708 560868323 /nfs/dbraw/zinc/86/83/23/560868323.db2.gz YWWFGCLGRVSWKC-XVNBXDOJSA-N 0 0 423.771 6.535 40 0 HKABRN CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000017093723 560868327 /nfs/dbraw/zinc/86/83/27/560868327.db2.gz IEUUQJBZILEKAT-ACCUITESSA-N 0 0 423.896 6.127 40 0 HKABRN O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccccc1F ZINC000017093726 560868338 /nfs/dbraw/zinc/86/83/38/560868338.db2.gz RNKBCANUYSBKOD-UHFFFAOYSA-N 0 0 423.919 5.054 40 0 HKABRN CCCC(=O)Nc1nc2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2s1 ZINC000017093730 560868328 /nfs/dbraw/zinc/86/83/28/560868328.db2.gz CDGBIZMVWNDEQK-UHFFFAOYSA-N 0 0 423.925 6.094 40 0 HKABRN O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000017093737 558822271 /nfs/dbraw/zinc/82/22/71/558822271.db2.gz FULRRPROYOWHPT-UHFFFAOYSA-N 0 0 423.950 5.744 40 0 HKABRN O=C(NC(=S)Nc1nc2c(cccc2Cl)s1)c1ccc(-c2ccccc2)cc1 ZINC000017093738 560868326 /nfs/dbraw/zinc/86/83/26/560868326.db2.gz HMYZWSCXTABWFC-UHFFFAOYSA-N 0 0 423.950 5.744 40 0 HKABRN O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1cccc2c(Cl)cccc12 ZINC000017093739 560868336 /nfs/dbraw/zinc/86/83/36/560868336.db2.gz QUBKQMDBOZXUSK-UHFFFAOYSA-N 0 0 423.950 5.744 40 0 HKABRN O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1cccc(Cl)c1 ZINC000017093740 558822230 /nfs/dbraw/zinc/82/22/30/558822230.db2.gz UMNFOKGELBNPJD-UHFFFAOYSA-N 0 0 423.950 5.744 40 0 HKABRN O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccccc1Cl ZINC000017093742 558822242 /nfs/dbraw/zinc/82/22/42/558822242.db2.gz YDEILFVIHHRTSZ-UHFFFAOYSA-N 0 0 423.950 5.744 40 0 HKABRN O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1cccc2c(Cl)cccc12 ZINC000017093745 560868308 /nfs/dbraw/zinc/86/83/08/560868308.db2.gz RMOIPXFKDQPHON-UHFFFAOYSA-N 0 0 423.969 5.610 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1Cl ZINC000017093747 560868304 /nfs/dbraw/zinc/86/83/04/560868304.db2.gz VSNKKEPJXBZSPJ-PNXJQBMXSA-N 0 0 423.984 6.643 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1Cl ZINC000017093748 560868330 /nfs/dbraw/zinc/86/83/30/560868330.db2.gz VSNKKEPJXBZSPJ-QJHTWHTCSA-N 0 0 423.984 6.643 40 0 HKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000017093760 560868334 /nfs/dbraw/zinc/86/83/34/560868334.db2.gz IZTGTBLOAWAXAX-UHFFFAOYSA-N 0 0 424.216 5.882 40 0 HKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccccc1OC(F)F ZINC000017093761 560868317 /nfs/dbraw/zinc/86/83/17/560868317.db2.gz XHKBVFUGXDVYTK-SOFGYWHQSA-N 0 0 424.230 6.507 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1OC(F)F ZINC000017093762 560868333 /nfs/dbraw/zinc/86/83/33/560868333.db2.gz PDHJIYGPGTUJDC-JXMROGBWSA-N 0 0 424.230 6.507 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1nccs1 ZINC000017093795 560868383 /nfs/dbraw/zinc/86/83/83/560868383.db2.gz HVXUQEGWHRPJBP-ZZXKWVIFSA-N 0 0 424.334 5.236 40 0 HKABRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1nccs1 ZINC000017093796 560868384 /nfs/dbraw/zinc/86/83/84/560868384.db2.gz SDFQGUMQTMZOOX-DUXPYHPUSA-N 0 0 424.334 5.236 40 0 HKABRN CC(C)(C)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000017093807 560868350 /nfs/dbraw/zinc/86/83/50/560868350.db2.gz POJSPGKWNGHJSG-UHFFFAOYSA-N 0 0 424.353 5.105 40 0 HKABRN CC(C)(C)C(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000017093809 560868375 /nfs/dbraw/zinc/86/83/75/560868375.db2.gz WTHKLOKPQCGTOD-UHFFFAOYSA-N 0 0 424.353 5.105 40 0 HKABRN CCCC(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000017093821 560868372 /nfs/dbraw/zinc/86/83/72/560868372.db2.gz GITDPRLLRUNWAI-UHFFFAOYSA-N 0 0 424.378 5.883 40 0 HKABRN CC(C)C(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000017093822 560868377 /nfs/dbraw/zinc/86/83/77/560868377.db2.gz WIXPLVSBLUKWMB-UHFFFAOYSA-N 0 0 424.378 5.739 40 0 HKABRN COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000017093866 558822205 /nfs/dbraw/zinc/82/22/05/558822205.db2.gz ZERCARTYQRQTQY-UHFFFAOYSA-N 0 0 424.456 5.918 40 0 HKABRN COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 ZINC000017093867 558822257 /nfs/dbraw/zinc/82/22/57/558822257.db2.gz SQGGFGJGIRMJTD-UHFFFAOYSA-N 0 0 424.456 5.918 40 0 HKABRN COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)c1 ZINC000017093868 560866802 /nfs/dbraw/zinc/86/68/02/560866802.db2.gz BQKNZQORRXKREI-UHFFFAOYSA-N 0 0 424.456 5.918 40 0 HKABRN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)C(Cl)(Cl)Cl ZINC000017093951 560868492 /nfs/dbraw/zinc/86/84/92/560868492.db2.gz MUHIBOSGEBLYRU-UHFFFAOYSA-N 0 0 424.498 6.110 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 ZINC000017093954 560868530 /nfs/dbraw/zinc/86/85/30/560868530.db2.gz OPJQVOQGPQFBNS-CXUHLZMHSA-N 0 0 424.500 6.460 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1 ZINC000017093968 560868543 /nfs/dbraw/zinc/86/85/43/560868543.db2.gz PZXCORDNLGAPSI-UHFFFAOYSA-N 0 0 424.522 5.440 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)c1 ZINC000017093969 560868549 /nfs/dbraw/zinc/86/85/49/560868549.db2.gz LPIZZRNTNZCGDS-UHFFFAOYSA-N 0 0 424.522 5.440 40 0 HKABRN COc1cc(NC(=O)c2ccc(OCC(C)C)cc2)ccc1NC(=O)c1cccs1 ZINC000017094021 560868545 /nfs/dbraw/zinc/86/85/45/560868545.db2.gz DETFMAZTMZHDMF-UHFFFAOYSA-N 0 0 424.522 5.296 40 0 HKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)COc1cccc2ccccc21 ZINC000017094026 560868517 /nfs/dbraw/zinc/86/85/17/560868517.db2.gz RPVQRRFNWJUQAK-UHFFFAOYSA-N 0 0 424.525 6.442 40 0 HKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)COc1ccc2ccccc2c1 ZINC000017094027 560868548 /nfs/dbraw/zinc/86/85/48/560868548.db2.gz BZTFOTNAABCNJE-UHFFFAOYSA-N 0 0 424.525 6.442 40 0 HKABRN C[C@@H]1C[C@@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)Cc1ccccc1 ZINC000017094048 560868531 /nfs/dbraw/zinc/86/85/31/560868531.db2.gz IEFDTMLPNKVZHH-FQRUVTKNSA-N 0 0 424.544 5.539 40 0 HKABRN C[C@H]1C[C@@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)Cc1ccccc1 ZINC000017094049 560868542 /nfs/dbraw/zinc/86/85/42/560868542.db2.gz IEFDTMLPNKVZHH-RXFWQSSRSA-N 0 0 424.544 5.539 40 0 HKABRN C[C@@H]1C[C@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)Cc1ccccc1 ZINC000017094050 560868535 /nfs/dbraw/zinc/86/85/35/560868535.db2.gz IEFDTMLPNKVZHH-IBVKSMDESA-N 0 0 424.544 5.539 40 0 HKABRN C[C@H]1C[C@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)Cc1ccccc1 ZINC000017094051 560868533 /nfs/dbraw/zinc/86/85/33/560868533.db2.gz IEFDTMLPNKVZHH-FNZWTVRRSA-N 0 0 424.544 5.539 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000017094112 560868599 /nfs/dbraw/zinc/86/85/99/560868599.db2.gz YLUNZYSBCHGIEZ-GORDUTHDSA-N 0 0 424.633 6.326 40 0 HKABRN CN1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000017094115 560868587 /nfs/dbraw/zinc/86/85/87/560868587.db2.gz QVLILUDIUJCAOU-XVNBXDOJSA-N 0 0 424.759 5.051 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000017094126 560868624 /nfs/dbraw/zinc/86/86/24/560868624.db2.gz XKVKWSXNFDTDOA-UHFFFAOYSA-N 0 0 424.859 6.083 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000017094127 560868584 /nfs/dbraw/zinc/86/85/84/560868584.db2.gz MNEODEUAXJJZKD-UHFFFAOYSA-N 0 0 424.859 6.083 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000017094128 560868632 /nfs/dbraw/zinc/86/86/32/560868632.db2.gz YVEKYQRWTNLSNP-UHFFFAOYSA-N 0 0 424.859 6.083 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000017094129 560868620 /nfs/dbraw/zinc/86/86/20/560868620.db2.gz SSRIPCNKRJNJCG-UHFFFAOYSA-N 0 0 424.863 5.009 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)cc1 ZINC000017094135 560868594 /nfs/dbraw/zinc/86/85/94/560868594.db2.gz PAAMUWCJCKOCIH-UHFFFAOYSA-N 0 0 424.884 5.252 40 0 HKABRN COc1cc(NC(=O)c2cccc(C)c2OC)ccc1NC(=O)c1ccccc1Cl ZINC000017094137 560868626 /nfs/dbraw/zinc/86/86/26/560868626.db2.gz WPMXXXIJWJQGBF-UHFFFAOYSA-N 0 0 424.884 5.170 40 0 HKABRN CCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)c1 ZINC000017094138 560868615 /nfs/dbraw/zinc/86/86/15/560868615.db2.gz CCKUMFJTKDGOKR-UHFFFAOYSA-N 0 0 424.884 5.252 40 0 HKABRN O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc(F)cc1 ZINC000017094147 560868731 /nfs/dbraw/zinc/86/87/31/560868731.db2.gz YZJYGNYPQGOEPE-UHFFFAOYSA-N 0 0 424.888 5.149 40 0 HKABRN O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccccc1F ZINC000017094148 560868739 /nfs/dbraw/zinc/86/87/39/560868739.db2.gz ZDOXSBSIZICSGS-UHFFFAOYSA-N 0 0 424.888 5.149 40 0 HKABRN O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccc(F)c1 ZINC000017094149 560868730 /nfs/dbraw/zinc/86/87/30/560868730.db2.gz FAOQOXYKUWGFIE-UHFFFAOYSA-N 0 0 424.888 5.149 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000017094150 560868735 /nfs/dbraw/zinc/86/87/35/560868735.db2.gz CCRIGYOHSBIXKY-XNTDXEJSSA-N 0 0 424.887 6.953 40 0 HKABRN O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000017094159 558822524 /nfs/dbraw/zinc/82/25/24/558822524.db2.gz IKFIOCDJPKCUQG-UHFFFAOYSA-N 0 0 424.891 5.993 40 0 HKABRN COc1cc(OC)cc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 ZINC000017094160 560868722 /nfs/dbraw/zinc/86/87/22/560868722.db2.gz OFGUBPJGPWETQG-UHFFFAOYSA-N 0 0 424.909 5.886 40 0 HKABRN COc1ccc(-c2csc(NC(=O)c3cccc4c(Cl)cccc34)n2)cc1OC ZINC000017094163 560868747 /nfs/dbraw/zinc/86/87/47/560868747.db2.gz WRRFNKZUUMGOLE-UHFFFAOYSA-N 0 0 424.909 5.886 40 0 HKABRN COc1ccc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 ZINC000017094164 560868720 /nfs/dbraw/zinc/86/87/20/560868720.db2.gz YBMYWIQHZOENSE-UHFFFAOYSA-N 0 0 424.909 5.643 40 0 HKABRN COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3ccccc3s2)ccc1Cl ZINC000017094165 558822535 /nfs/dbraw/zinc/82/25/35/558822535.db2.gz KGYPBTDSJAJOSI-UHFFFAOYSA-N 0 0 424.909 5.886 40 0 HKABRN Cc1cc(C)cc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000017094172 560868714 /nfs/dbraw/zinc/86/87/14/560868714.db2.gz DCPQKLUROFCEJI-VQHVLOKHSA-N 0 0 424.953 6.052 40 0 HKABRN CCc1ccccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000017094180 560868749 /nfs/dbraw/zinc/86/87/49/560868749.db2.gz UVPJSVIPNSFNEO-ACCUITESSA-N 0 0 424.953 5.997 40 0 HKABRN CCc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000017094189 560868743 /nfs/dbraw/zinc/86/87/43/560868743.db2.gz KEJQZPXRSOQVCP-ACCUITESSA-N 0 0 424.953 5.997 40 0 HKABRN Cc1ccc(C)c(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000017094197 560868733 /nfs/dbraw/zinc/86/87/33/560868733.db2.gz IIQNYWXVVQDMBA-PKNBQFBNSA-N 0 0 424.953 6.052 40 0 HKABRN Cc1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1C ZINC000017094200 560868728 /nfs/dbraw/zinc/86/87/28/560868728.db2.gz LQGDJZJWQAPRGQ-ZRDIBKRKSA-N 0 0 424.953 6.052 40 0 HKABRN Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1C ZINC000017094222 560868734 /nfs/dbraw/zinc/86/87/34/560868734.db2.gz YISNWELIRFNLDO-PKNBQFBNSA-N 0 0 424.953 6.052 40 0 HKABRN Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c(C)c1 ZINC000017094229 560868711 /nfs/dbraw/zinc/86/87/11/560868711.db2.gz BSBWSKDVHFLRST-DHZHZOJOSA-N 0 0 424.953 6.052 40 0 HKABRN Clc1ccc([C@@H](CCc2ccc(Br)cc2)Cn2ccnc2)c(Cl)c1 ZINC000017108790 558822656 /nfs/dbraw/zinc/82/26/56/558822656.db2.gz GLPUKJFKRFMDSY-HNNXBMFYSA-N 0 0 424.169 6.369 40 0 HKABRN CN1c2ccccc2C(C)(C)C1=CC=Nc1ccc2c3c(cccc31)-c1ccccc1-2 ZINC000017120786 558823128 /nfs/dbraw/zinc/82/31/28/558823128.db2.gz WMHCAJZSKBCFSU-UHFFFAOYSA-O 0 0 401.533 7.119 40 0 HKABRN O=C1N(C2CCCCC2)[C@@H](/C=C\c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000017141759 558823754 /nfs/dbraw/zinc/82/37/54/558823754.db2.gz QIYGYEUUHVKTEQ-ICDQAVPKSA-N 0 0 407.557 6.230 40 0 HKABRN O=C1N(C2CCCCC2)[C@H](/C=C\c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000017141760 558823766 /nfs/dbraw/zinc/82/37/66/558823766.db2.gz QIYGYEUUHVKTEQ-WALQADBYSA-N 0 0 407.557 6.230 40 0 HKABRN c1ccc(-c2oc(-c3ccccc3)c3c2[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000017146076 558824122 /nfs/dbraw/zinc/82/41/22/558824122.db2.gz LPPKTYKSMWNKPR-HNRBIFIRSA-N 0 0 424.543 8.447 40 0 HKABRN CCCCCC[C@@H](C)OP(O[C@@H](C)CCCCCC)O[C@@H](C)CCCCCC ZINC000017161968 558824596 /nfs/dbraw/zinc/82/45/96/558824596.db2.gz CWMBGKXLZCXEIX-KMDXXIMOSA-N 0 0 418.643 9.340 40 0 HKABRN O=C(Nc1nnc(/C=C\c2ccc(Cl)c(Cl)c2)o1)Nc1ccc(Cl)cc1 ZINC000017176019 558824780 /nfs/dbraw/zinc/82/47/80/558824780.db2.gz ZZCLSMYHLAYUMZ-WAPJZHGLSA-N 0 0 409.660 5.844 40 0 HKABRN CCCCCC[C@@H](O)C/C=C/CCCCCCc1c(=O)[nH]c(=S)[nH]c1C(=O)OC ZINC000017176666 558824809 /nfs/dbraw/zinc/82/48/09/558824809.db2.gz VMPUSPLQIAFVDX-XLNAKTSKSA-N 0 0 424.607 5.402 40 0 HKABRN O=C(Nc1ccc(C23C[C@@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1cccs1 ZINC000017178373 569326965 /nfs/dbraw/zinc/32/69/65/569326965.db2.gz YZWSNRVLZSNSPQ-YDXVBCDDSA-N 0 0 413.586 6.790 40 0 HKABRN COc1ccc(/C=C(\NC(=O)c2ccccc2)c2nc3ccccc3s2)c(OC)c1 ZINC000017188208 558825307 /nfs/dbraw/zinc/82/53/07/558825307.db2.gz ZFCZPESPXDOQGX-ZHZULCJRSA-N 0 0 416.502 5.242 40 0 HKABRN O=C(N/C(=C/c1cc(Cl)ccc1Cl)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000017190726 558825244 /nfs/dbraw/zinc/82/52/44/558825244.db2.gz JKNKWFNUDPQNQO-DEDYPNTBSA-N 0 0 408.288 5.798 40 0 HKABRN O=C(N/C(=C\c1ccc(Br)cc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000017190769 558825205 /nfs/dbraw/zinc/82/52/05/558825205.db2.gz YBFRETBEHFICDR-ZHZULCJRSA-N 0 0 418.294 5.254 40 0 HKABRN Fc1ccccc1[C@H]1CC(C(c2ccccc2)c2ccccc2)=Nc2ccccc2S1 ZINC000017195444 558825419 /nfs/dbraw/zinc/82/54/19/558825419.db2.gz DTDNGKVZYFPYFW-HHHXNRCGSA-N 0 0 423.556 7.967 40 0 HKABRN Cc1ccc2c(c1)[nH]c(=S)n2C=C(c1ccccc1)[S@@](=O)Cc1ccccc1 ZINC000017223411 558826136 /nfs/dbraw/zinc/82/61/36/558826136.db2.gz UHVIYNSKKNNIDC-DDOPCNGUSA-N 0 0 404.560 5.912 40 0 HKABRN Cc1ccc2c(c1)[nH]c(=S)n2C=C(c1ccccc1)[S@](=O)Cc1ccccc1 ZINC000017223414 558826118 /nfs/dbraw/zinc/82/61/18/558826118.db2.gz UHVIYNSKKNNIDC-UWTASOAKSA-N 0 0 404.560 5.912 40 0 HKABRN S=C1N=C2C(=Cc3ccc(Cl)cc3)CSCC2[C@H](c2ccc(Cl)cc2)N1 ZINC000017254567 558826231 /nfs/dbraw/zinc/82/62/31/558826231.db2.gz CQMQYXXDMVGBTN-MXHVWWQHSA-N 0 0 419.402 5.597 40 0 HKABRN C#C[C@]1(OC(=O)CCCCCC)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C ZINC000017284343 569345122 /nfs/dbraw/zinc/34/51/22/569345122.db2.gz APTGJECXMIKIET-WBNMOLNCSA-N 0 0 410.598 6.014 40 0 HKABRN CCCC[C@@H](CC)COC(=O)C(=Cc1ccccc1)C(=O)OC[C@@H](CC)CCCC ZINC000017285440 558826365 /nfs/dbraw/zinc/82/63/65/558826365.db2.gz DDRDRGWDSPDASN-SZPZYZBQSA-N 0 0 416.602 6.589 40 0 HKABRN CCCC[C@@H](CC)CSCCOC(C)OCCSC[C@@H](CC)CCCC ZINC000017300788 558826688 /nfs/dbraw/zinc/82/66/88/558826688.db2.gz KTDUKFNZFGTHEB-FRIKZZABSA-N 0 0 406.742 7.265 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)[C@@H](F)C[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000017302434 558826694 /nfs/dbraw/zinc/82/66/94/558826694.db2.gz HNAAFHHBQZHFPH-UZKCNQHNSA-N 0 0 412.545 5.772 40 0 HKABRN O=C(O[C@H](c1ccccc1)[C@@H](OC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000017310798 558826829 /nfs/dbraw/zinc/82/68/29/558826829.db2.gz WCKDRBAZAZDBKR-WMPKNSHKSA-N 0 0 422.480 6.183 40 0 HKABRN C[C@H]1N(C(=O)Nc2ccc(Cc3ccc(NC(=O)N4[C@@H](C)C4(C)C)cc3)cc2)C1(C)C ZINC000017313722 558826841 /nfs/dbraw/zinc/82/68/41/558826841.db2.gz QCENSHYDVVBAGD-AUJRUARFSA-N 0 0 420.557 5.307 40 0 HKABRN C[C@H]1C[C@@H](OC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC(C)(C)C2)CC(C)(C)C1 ZINC000017325836 558827039 /nfs/dbraw/zinc/82/70/39/558827039.db2.gz ATHBXDPWCKSOLE-IYWMVGAKSA-N 0 0 414.586 6.430 40 0 HKABRN CCCCOC1=CC2=CC[C@H]3[C@@H]4CC[C@@H](OC(=O)CC)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000017328042 558827018 /nfs/dbraw/zinc/82/70/18/558827018.db2.gz PGQVFZVRQGJBEV-PDVSWFIFSA-N 0 0 400.603 6.582 40 0 HKABRN O=C(CC[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1)c1ccccc1 ZINC000017353481 558827140 /nfs/dbraw/zinc/82/71/40/558827140.db2.gz RCNHKLMWQAUFDP-HHHXNRCGSA-N 0 0 404.509 6.983 40 0 HKABRN CCCCCC[C@@H](C)OC(=O)CCSCCC(=O)O[C@@H](C)CCCCCC ZINC000017354437 558827160 /nfs/dbraw/zinc/82/71/60/558827160.db2.gz CNJFANVNNVEFCV-BGYRXZFFSA-N 0 0 402.641 6.304 40 0 HKABRN c1ccc([C@@]2([C@@]3(c4ccccc4)Nc4ccccc4S3)Nc3ccccc3S2)cc1 ZINC000017354567 558827145 /nfs/dbraw/zinc/82/71/45/558827145.db2.gz QIIPXKDIYLWCQE-WMPKNSHKSA-N 0 0 424.594 7.128 40 0 HKABRN O=C(/C=C\c1ccc(Cl)cc1)OCCCCOC(=O)/C=C\c1ccc(Cl)cc1 ZINC000017381184 558827315 /nfs/dbraw/zinc/82/73/15/558827315.db2.gz MLOMMZSPHHDEQH-PVRNWPCDSA-N 0 0 419.304 5.587 40 0 HKABRN O=C(O[C@@H](c1nccc2ccccc21)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000017429223 558827481 /nfs/dbraw/zinc/82/74/81/558827481.db2.gz WINZRUPYVLUOKS-JOCHJYFZSA-N 0 0 408.284 6.488 40 0 HKABRN OC(c1ccccc1)(c1ccccc1)[C@@H]1/C(=C/c2ccccc2)[C@@H]1Cc1ccccc1 ZINC000017430431 558827475 /nfs/dbraw/zinc/82/74/75/558827475.db2.gz FLLRDUYIVVAICX-QYMZAWKRSA-N 0 0 402.537 6.495 40 0 HKABRN Cc1ccc(C23C[C@H]4C[C@H](CC(CNC(=O)[C@@]5(C)CC5(Cl)Cl)(C4)C2)C3)cc1C ZINC000017724554 560870116 /nfs/dbraw/zinc/87/01/16/560870116.db2.gz YZMIMWHIZYRODV-GWMSNGGESA-N 0 0 420.424 5.842 40 0 HKABRN O[C@]1(c2ccccc2)c2ccccc2[C@@](O)(c2ccccc2)c2cc3c(cc21)CCCC3 ZINC000017837426 558828276 /nfs/dbraw/zinc/82/82/76/558828276.db2.gz BVJFISVYJCGVAZ-RNPORBBMSA-N 0 0 418.536 5.447 40 0 HKABRN O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000017903735 560870707 /nfs/dbraw/zinc/87/07/07/560870707.db2.gz LDNZVVXKXGAPRM-UHFFFAOYSA-N 0 0 410.260 5.963 40 0 HKABRN COC(=O)c1ccc(NC(=O)CC23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 ZINC000017916922 569047127 /nfs/dbraw/zinc/04/71/27/569047127.db2.gz PMUPVGKIKOHKCZ-YDXVBCDDSA-N 0 0 417.549 5.648 40 0 HKABRN CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000017917093 569326877 /nfs/dbraw/zinc/32/68/77/569326877.db2.gz QVHCBIHNSPQTPJ-QYOOZWMWSA-N 0 0 423.512 5.328 40 0 HKABRN C[C@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4Cl)cc3)C(=O)[C@@H]21 ZINC000017986825 558829091 /nfs/dbraw/zinc/82/90/91/558829091.db2.gz YKTVDFRFGDGFHY-JOKNJTHLSA-N 0 0 402.277 5.487 40 0 HKABRN Cc1cc(N2C(=O)[C@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)cc(C)c1Br ZINC000017988449 569382483 /nfs/dbraw/zinc/38/24/83/569382483.db2.gz CHHCHFDZBHHLJO-WDSOQIARSA-N 0 0 412.327 5.139 40 0 HKABRN COC(=O)C1[C@@H](c2ccccc2)C(C(=O)Oc2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000018011461 560870843 /nfs/dbraw/zinc/87/08/43/560870843.db2.gz SBVGYZKXYZKRFK-OIRDZHBESA-N 0 0 420.892 5.232 40 0 HKABRN CC(C)c1ccc(OCC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000018042334 558829867 /nfs/dbraw/zinc/82/98/67/558829867.db2.gz DFIQDHQNZIMLHZ-UHFFFAOYSA-N 0 0 413.477 5.545 40 0 HKABRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000018044502 558830072 /nfs/dbraw/zinc/83/00/72/558830072.db2.gz OWXRIXNNWKJTDH-CJRSTVEYSA-N 0 0 413.904 5.583 40 0 HKABRN COc1ccc(CC/N=c2\cc(-c3ccccc3)oc3cc(C)cc(C)c32)cc1OC ZINC000018115952 560871144 /nfs/dbraw/zinc/87/11/44/560871144.db2.gz UIQWWDHEPKQZHK-XAYXJRQQSA-N 0 0 413.517 5.877 40 0 HKABRN CCOc1ccc(NCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000018178814 560870944 /nfs/dbraw/zinc/87/09/44/560870944.db2.gz GIPVMPWRQKFQJJ-UHFFFAOYSA-N 0 0 416.525 5.022 40 0 HKABRN CC1C[C@@H](C)N(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)[C@@H](C)C1 ZINC000018179485 558832701 /nfs/dbraw/zinc/83/27/01/558832701.db2.gz AFUZUSPUDYOVQC-GOOCMWNKSA-N 0 0 416.447 5.064 40 0 HKABRN CCCc1sc(NC(=O)c2ccccn2)nc1-c1ccc(Br)cc1 ZINC000018192530 560870935 /nfs/dbraw/zinc/87/09/35/560870935.db2.gz CPDKPZULRZTUSD-UHFFFAOYSA-N 0 0 402.317 5.172 40 0 HKABRN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(-c2cnc3ccccc3n2)cc1 ZINC000018195232 569387214 /nfs/dbraw/zinc/38/72/14/569387214.db2.gz XHAYKTLSOZVAJX-UHFFFAOYSA-N 0 0 420.255 5.404 40 0 HKABRN C[C@@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2c2c1c1ccccc1n2Cc1ccccc1 ZINC000018212453 558833646 /nfs/dbraw/zinc/83/36/46/558833646.db2.gz AONNCUFLRUFGMU-MOADCYBESA-N 0 0 420.512 5.470 40 0 HKABRN CCOc1cccc(NCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)c1 ZINC000018212764 569413867 /nfs/dbraw/zinc/41/38/67/569413867.db2.gz GVWJCFSJKWRCQN-UHFFFAOYSA-N 0 0 416.525 5.022 40 0 HKABRN CCCC/N=c1\scc(-c2ccc(OC(=O)c3ccccc3)cc2)n1CCCC ZINC000018227811 559179675 /nfs/dbraw/zinc/17/96/75/559179675.db2.gz YIFMGOWGSOCGRD-IZHYLOQSSA-N 0 0 408.567 5.937 40 0 HKABRN C[C@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2c2c1c1ccccc1n2Cc1ccccc1 ZINC000018252153 558834884 /nfs/dbraw/zinc/83/48/84/558834884.db2.gz AONNCUFLRUFGMU-PZGSVQSZSA-N 0 0 420.512 5.470 40 0 HKABRN O=C(CC12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)Nc1cccc(C(F)(F)F)c1 ZINC000018258106 560871582 /nfs/dbraw/zinc/87/15/82/560871582.db2.gz XCNSPQUJCDXPGC-NLKGSNSHSA-N 0 0 416.281 5.768 40 0 HKABRN CCc1ccc2nc(NC(=O)C34C[C@H]5C[C@H](CC(Br)(C5)C3)C4)sc2c1 ZINC000018272243 560871577 /nfs/dbraw/zinc/87/15/77/560871577.db2.gz RQLCIMMKMSMQNN-LWYUSKRHSA-N 0 0 419.388 5.531 40 0 HKABRN Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)Nc5ccccc5Br)(C4)C2)C3)cc1 ZINC000018322361 560871576 /nfs/dbraw/zinc/87/15/76/560871576.db2.gz TXXMIJHJKZEOLY-ISVJADKWSA-N 0 0 424.382 6.234 40 0 HKABRN O=C1CCN=C(c2ccccc2)c2cc(Cl)ccc2N1Cc1ccc(Cl)cc1 ZINC000018322714 558835451 /nfs/dbraw/zinc/83/54/51/558835451.db2.gz DULGHLSKCDVTLG-UHFFFAOYSA-N 0 0 409.316 5.768 40 0 HKABRN CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2 ZINC000018323581 569413971 /nfs/dbraw/zinc/41/39/71/569413971.db2.gz NEMDWVAFHRGICR-CBKSTNSXSA-N 0 0 414.933 5.169 40 0 HKABRN COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccc(COC(C)=O)o3)no2)cc1 ZINC000019023021 558838205 /nfs/dbraw/zinc/83/82/05/558838205.db2.gz CFGYIASOKKSNEX-QHCPKHFHSA-N 0 0 424.497 5.124 40 0 HKABRN COc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccc(COC(C)=O)o3)no2)cc1 ZINC000019023024 558838236 /nfs/dbraw/zinc/83/82/36/558838236.db2.gz CFGYIASOKKSNEX-HSZRJFAPSA-N 0 0 424.497 5.124 40 0 HKABRN CC(=O)OCc1ccc(CN2CCCCC[C@@H]2c2cc(-c3cccs3)on2)o1 ZINC000019023033 558838221 /nfs/dbraw/zinc/83/82/21/558838221.db2.gz LCSBEJMZLSCFTB-LJQANCHMSA-N 0 0 400.500 5.177 40 0 HKABRN CC(=O)OCc1ccc(CN2CCCCC[C@H]2c2cc(-c3cccs3)on2)o1 ZINC000019023036 558838231 /nfs/dbraw/zinc/83/82/31/558838231.db2.gz LCSBEJMZLSCFTB-IBGZPJMESA-N 0 0 400.500 5.177 40 0 HKABRN CCCCOc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000019074405 558838324 /nfs/dbraw/zinc/83/83/24/558838324.db2.gz VJGCCPXUPXMMKI-UHFFFAOYSA-N 0 0 405.338 6.155 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=S)Nc3cccc(C(F)(F)F)c3)ccc21 ZINC000019074429 558838371 /nfs/dbraw/zinc/83/83/71/558838371.db2.gz BNOOJMXFGPNARZ-UHFFFAOYSA-N 0 0 413.468 6.642 40 0 HKABRN O=C(Nc1ccc(NC(=O)Nc2ccccc2Cl)cc1)Nc1ccccc1Cl ZINC000019075275 558838350 /nfs/dbraw/zinc/83/83/50/558838350.db2.gz VVYAYZZSYSJXHE-UHFFFAOYSA-N 0 0 415.280 6.281 40 0 HKABRN CC(C)(C)C(=O)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1 ZINC000019081097 558839307 /nfs/dbraw/zinc/83/93/07/558839307.db2.gz WZUGTCDVVDYPTF-UHFFFAOYSA-N 0 0 415.541 5.034 40 0 HKABRN CC(C)(C)C(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019081269 558839372 /nfs/dbraw/zinc/83/93/72/558839372.db2.gz NVXHZQBAYHVEMG-LJQANCHMSA-N 0 0 415.541 5.034 40 0 HKABRN CC(C)(C)C(=O)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019081271 558839373 /nfs/dbraw/zinc/83/93/73/558839373.db2.gz NVXHZQBAYHVEMG-IBGZPJMESA-N 0 0 415.541 5.034 40 0 HKABRN CC(C)(C)C(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 ZINC000019081273 558839368 /nfs/dbraw/zinc/83/93/68/558839368.db2.gz VLPBBPFGMHFHCO-LJQANCHMSA-N 0 0 415.541 5.034 40 0 HKABRN CC(C)(C)C(=O)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 ZINC000019081275 558839376 /nfs/dbraw/zinc/83/93/76/558839376.db2.gz VLPBBPFGMHFHCO-IBGZPJMESA-N 0 0 415.541 5.034 40 0 HKABRN CC(C)(C)C(=O)N1CCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019081323 558839419 /nfs/dbraw/zinc/83/94/19/558839419.db2.gz KDTMBLDUPPTNQI-HXUWFJFHSA-N 0 0 419.504 5.131 40 0 HKABRN CC(C)(C)C(=O)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019081325 558839414 /nfs/dbraw/zinc/83/94/14/558839414.db2.gz KDTMBLDUPPTNQI-FQEVSTJZSA-N 0 0 419.504 5.131 40 0 HKABRN CC(C)(C)CC(=O)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019082572 558840142 /nfs/dbraw/zinc/84/01/42/558840142.db2.gz CABWACURGCCTBY-LJQANCHMSA-N 0 0 415.541 5.034 40 0 HKABRN CC(C)(C)CC(=O)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019082574 558840196 /nfs/dbraw/zinc/84/01/96/558840196.db2.gz CABWACURGCCTBY-IBGZPJMESA-N 0 0 415.541 5.034 40 0 HKABRN CC(C)(C)CC(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 ZINC000019082644 558840340 /nfs/dbraw/zinc/84/03/40/558840340.db2.gz ZWJSLWNJYBJEIZ-OAQYLSRUSA-N 0 0 415.541 5.382 40 0 HKABRN CC(C)(C)CC(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 ZINC000019082646 558840253 /nfs/dbraw/zinc/84/02/53/558840253.db2.gz ZWJSLWNJYBJEIZ-NRFANRHFSA-N 0 0 415.541 5.382 40 0 HKABRN CC(C)(C)CC(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000019082649 558840345 /nfs/dbraw/zinc/84/03/45/558840345.db2.gz PMFCCKRSCMYBIA-OAQYLSRUSA-N 0 0 415.541 5.382 40 0 HKABRN CC(C)(C)CC(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000019082652 558840326 /nfs/dbraw/zinc/84/03/26/558840326.db2.gz PMFCCKRSCMYBIA-NRFANRHFSA-N 0 0 415.541 5.382 40 0 HKABRN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3Cc3cccnc3)cc2N1 ZINC000019083331 558840417 /nfs/dbraw/zinc/84/04/17/558840417.db2.gz VCRMFRYYASZRSD-GBESFXJTSA-N 0 0 421.511 5.339 40 0 HKABRN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3Cc3cccnc3)cc2N1 ZINC000019083334 558840397 /nfs/dbraw/zinc/84/03/97/558840397.db2.gz VCRMFRYYASZRSD-CEXWTWQISA-N 0 0 421.511 5.339 40 0 HKABRN CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000019084708 558840968 /nfs/dbraw/zinc/84/09/68/558840968.db2.gz AUSNFVKOHHNALF-UHFFFAOYSA-N 0 0 406.574 5.122 40 0 HKABRN CC(C)C(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)ncc2-c2ccncc2)CC1 ZINC000019085215 558841145 /nfs/dbraw/zinc/84/11/45/558841145.db2.gz XGSNSRXDDRHPSC-UHFFFAOYSA-N 0 0 420.944 5.221 40 0 HKABRN CC(C)C(=O)N1CCCC[C@@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000019085612 558841182 /nfs/dbraw/zinc/84/11/82/558841182.db2.gz CQXROHRJBNPPMG-OAHLLOKOSA-N 0 0 422.476 5.186 40 0 HKABRN CC(C)C(=O)N1CCCC[C@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000019085614 558841284 /nfs/dbraw/zinc/84/12/84/558841284.db2.gz CQXROHRJBNPPMG-HNNXBMFYSA-N 0 0 422.476 5.186 40 0 HKABRN CC(C)C(=O)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 ZINC000019085668 558841282 /nfs/dbraw/zinc/84/12/82/558841282.db2.gz GSCDRSQZBDWIAC-OAQYLSRUSA-N 0 0 419.504 5.131 40 0 HKABRN CC(C)C(=O)N1CCCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 ZINC000019085670 558841201 /nfs/dbraw/zinc/84/12/01/558841201.db2.gz GSCDRSQZBDWIAC-NRFANRHFSA-N 0 0 419.504 5.131 40 0 HKABRN CC(C)C(=O)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019085672 558841238 /nfs/dbraw/zinc/84/12/38/558841238.db2.gz ZZYIDIKQIXWKKX-OAQYLSRUSA-N 0 0 419.504 5.131 40 0 HKABRN CC(C)C(=O)N1CCCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019085674 558841454 /nfs/dbraw/zinc/84/14/54/558841454.db2.gz ZZYIDIKQIXWKKX-NRFANRHFSA-N 0 0 419.504 5.131 40 0 HKABRN CC(C)C(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)cs1 ZINC000019086269 558841574 /nfs/dbraw/zinc/84/15/74/558841574.db2.gz DBCJUQPIAVXFPI-UHFFFAOYSA-N 0 0 423.513 5.137 40 0 HKABRN Cc1cc(-c2ccsc2)nc(C2CCN(C(=O)Cc3cccc(Cl)c3)CC2)n1 ZINC000019118533 558842446 /nfs/dbraw/zinc/84/24/46/558842446.db2.gz WVPGFRJISIXPPI-UHFFFAOYSA-N 0 0 411.958 5.116 40 0 HKABRN Cc1cc(-c2ccsc2)nc(C2CCN(C(=O)c3cc4ccccc4o3)CC2)n1 ZINC000019118563 558842447 /nfs/dbraw/zinc/84/24/47/558842447.db2.gz GXAQBGBEIANHRJ-UHFFFAOYSA-N 0 0 403.507 5.280 40 0 HKABRN Cc1cc(-c2ccsc2)nc(C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1 ZINC000019118569 558842438 /nfs/dbraw/zinc/84/24/38/558842438.db2.gz YJYAUSJJQOYROS-UHFFFAOYSA-N 0 0 415.921 5.326 40 0 HKABRN Cc1cc(-c2ccsc2)nc(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)n1 ZINC000019118595 558842440 /nfs/dbraw/zinc/84/24/40/558842440.db2.gz KTPSZQMJRLTJHC-UHFFFAOYSA-N 0 0 414.534 5.082 40 0 HKABRN Cc1cc(-c2ccsc2)nc(C2CCN(C(=O)c3ccc4ccccc4n3)CC2)n1 ZINC000019118598 558842575 /nfs/dbraw/zinc/84/25/75/558842575.db2.gz FAXYNWHLTRKELS-UHFFFAOYSA-N 0 0 414.534 5.082 40 0 HKABRN Cc1cc(-c2ccsc2)nc(C2CCN(C(=O)c3cccc4cccnc43)CC2)n1 ZINC000019118605 558842552 /nfs/dbraw/zinc/84/25/52/558842552.db2.gz VWAJRFQYINZQDF-UHFFFAOYSA-N 0 0 414.534 5.082 40 0 HKABRN COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 ZINC000019119306 558842720 /nfs/dbraw/zinc/84/27/20/558842720.db2.gz FIOPQMPSUYZRIE-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN Cc1cc(C[C@@H]2CCC[C@H]2N(Cc2ccncc2)Cc2c(F)cccc2Cl)on1 ZINC000019120463 558842854 /nfs/dbraw/zinc/84/28/54/558842854.db2.gz ZAVZTDVJNABFCB-FDDCHVKYSA-N 0 0 413.924 5.584 40 0 HKABRN Cc1cc(-c2cnc(C3CCN(C(=O)CC4CCCCC4)CC3)nc2C(C)C)on1 ZINC000019121632 558843277 /nfs/dbraw/zinc/84/32/77/558843277.db2.gz WDAGCOKUYBUDAQ-UHFFFAOYSA-N 0 0 410.562 5.240 40 0 HKABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)c3ccc(C(C)(C)C)cc3)C2)on1 ZINC000019122106 558843610 /nfs/dbraw/zinc/84/36/10/558843610.db2.gz QNNXXUKUTFBLKS-LJQANCHMSA-N 0 0 418.541 5.066 40 0 HKABRN Cc1cc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)c3ccc(C(C)(C)C)cc3)C2)on1 ZINC000019122110 558843623 /nfs/dbraw/zinc/84/36/23/558843623.db2.gz QNNXXUKUTFBLKS-IBGZPJMESA-N 0 0 418.541 5.066 40 0 HKABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN2Cc2ccc(Cl)c(Cl)c2)on1 ZINC000019122514 558843751 /nfs/dbraw/zinc/84/37/51/558843751.db2.gz HSRQHKXKWVRANX-SFHVURJKSA-N 0 0 403.313 5.392 40 0 HKABRN Cc1cc(-c2cnc(C)nc2[C@H]2CCCN2Cc2ccc(Cl)c(Cl)c2)on1 ZINC000019122518 558843707 /nfs/dbraw/zinc/84/37/07/558843707.db2.gz HSRQHKXKWVRANX-GOSISDBHSA-N 0 0 403.313 5.392 40 0 HKABRN Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)C[C@H]3C=CCC3)cc2)on1 ZINC000019123841 558844215 /nfs/dbraw/zinc/84/42/15/558844215.db2.gz KDHMLECPJDFJGM-SFHVURJKSA-N 0 0 416.525 5.203 40 0 HKABRN Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)C[C@@H]3C=CCC3)cc2)on1 ZINC000019123843 558844230 /nfs/dbraw/zinc/84/42/30/558844230.db2.gz KDHMLECPJDFJGM-GOSISDBHSA-N 0 0 416.525 5.203 40 0 HKABRN Cc1cc(-c2cnc([C@@H]3CCCN(C(=O)C4CCCC4)C3)nc2-c2cccs2)on1 ZINC000019124061 558844188 /nfs/dbraw/zinc/84/41/88/558844188.db2.gz CNLNRSRRRXUPSR-QGZVFWFLSA-N 0 0 422.554 5.065 40 0 HKABRN Cc1cc(-c2cnc([C@H]3CCCN(C(=O)C4CCCC4)C3)nc2-c2cccs2)on1 ZINC000019124064 558844234 /nfs/dbraw/zinc/84/42/34/558844234.db2.gz CNLNRSRRRXUPSR-KRWDZBQOSA-N 0 0 422.554 5.065 40 0 HKABRN Cc1cc(C(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)sc1C ZINC000019124675 558844372 /nfs/dbraw/zinc/84/43/72/558844372.db2.gz VASAIKNDMCQXRU-UHFFFAOYSA-N 0 0 407.461 5.280 40 0 HKABRN Cc1cc(C(=O)N2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)sc1C ZINC000019124705 558844353 /nfs/dbraw/zinc/84/43/53/558844353.db2.gz ARZSZIFPHXYHNR-CYBMUJFWSA-N 0 0 405.470 5.167 40 0 HKABRN Cc1cc(C(=O)N2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)sc1C ZINC000019124708 526250690 /nfs/dbraw/zinc/25/06/90/526250690.db2.gz ARZSZIFPHXYHNR-ZDUSSCGKSA-N 0 0 405.470 5.167 40 0 HKABRN Cc1nn([C@@H](C)CC(=O)N[C@@H](c2ccncc2)c2cc(C)ccc2C)c(C)c1Cl ZINC000019132197 558845572 /nfs/dbraw/zinc/84/55/72/558845572.db2.gz GEWSFMRZMMIORZ-HJPURHCSSA-N 0 0 410.949 5.022 40 0 HKABRN Cc1nn([C@H](C)CC(=O)N[C@@H](c2ccncc2)c2cc(C)ccc2C)c(C)c1Cl ZINC000019132201 558845601 /nfs/dbraw/zinc/84/56/01/558845601.db2.gz GEWSFMRZMMIORZ-MWTRTKDXSA-N 0 0 410.949 5.022 40 0 HKABRN Cc1nn([C@@H](C)CC(=O)N[C@H](c2ccncc2)c2cc(C)ccc2C)c(C)c1Cl ZINC000019132205 558845647 /nfs/dbraw/zinc/84/56/47/558845647.db2.gz GEWSFMRZMMIORZ-QMHKHESXSA-N 0 0 410.949 5.022 40 0 HKABRN Cc1nn([C@H](C)CC(=O)N[C@H](c2ccncc2)c2cc(C)ccc2C)c(C)c1Cl ZINC000019132207 558845605 /nfs/dbraw/zinc/84/56/05/558845605.db2.gz GEWSFMRZMMIORZ-WAIKUNEKSA-N 0 0 410.949 5.022 40 0 HKABRN Cc1noc2nc(C3CCN(C(=O)[C@H](C)c4ccc(C)cc4)CC3)cc(C(F)F)c12 ZINC000019135797 558846098 /nfs/dbraw/zinc/84/60/98/558846098.db2.gz FOSDSNOWHXGXPM-CQSZACIVSA-N 0 0 413.468 5.287 40 0 HKABRN Cc1noc2nc(C3CCN(C(=O)[C@@H](C)c4ccc(C)cc4)CC3)cc(C(F)F)c12 ZINC000019135801 558846106 /nfs/dbraw/zinc/84/61/06/558846106.db2.gz FOSDSNOWHXGXPM-AWEZNQCLSA-N 0 0 413.468 5.287 40 0 HKABRN Cc1ccc([C@@H](C)C(=O)N[C@@H]2CCCc3c2cnn3Cc2cccc(Cl)c2)cc1 ZINC000019136303 558846265 /nfs/dbraw/zinc/84/62/65/558846265.db2.gz LCZFBOMDLMLFDZ-VGOFRKELSA-N 0 0 407.945 5.191 40 0 HKABRN Cc1ccc([C@H](C)C(=O)N[C@@H]2CCCc3c2cnn3Cc2cccc(Cl)c2)cc1 ZINC000019136307 558846198 /nfs/dbraw/zinc/84/61/98/558846198.db2.gz LCZFBOMDLMLFDZ-HTAPYJJXSA-N 0 0 407.945 5.191 40 0 HKABRN Cc1ccc([C@@H](C)C(=O)N[C@H]2CCCc3c2cnn3Cc2cccc(Cl)c2)cc1 ZINC000019136311 558846203 /nfs/dbraw/zinc/84/62/03/558846203.db2.gz LCZFBOMDLMLFDZ-VGSWGCGISA-N 0 0 407.945 5.191 40 0 HKABRN Cc1ccc([C@H](C)C(=O)N[C@H]2CCCc3c2cnn3Cc2cccc(Cl)c2)cc1 ZINC000019136316 558846204 /nfs/dbraw/zinc/84/62/04/558846204.db2.gz LCZFBOMDLMLFDZ-JTSKRJEESA-N 0 0 407.945 5.191 40 0 HKABRN O=C(c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12)C1NN1 ZINC000019167145 558847191 /nfs/dbraw/zinc/84/71/91/558847191.db2.gz IYJZCORUGCQXIG-UHFFFAOYSA-N 0 0 413.091 5.132 40 0 HKABRN Cc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)c1 ZINC000019174142 569345257 /nfs/dbraw/zinc/34/52/57/569345257.db2.gz CQERNZJAPLJKMA-UHFFFAOYSA-N 0 0 424.385 5.254 40 0 HKABRN Cc1ccc(C(=O)N2CCC[C@@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)cc1F ZINC000019214456 558849653 /nfs/dbraw/zinc/84/96/53/558849653.db2.gz LALIMMOTOJSBIG-CQSZACIVSA-N 0 0 405.395 5.049 40 0 HKABRN Cc1ccc(C(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)cc1F ZINC000019214459 558849641 /nfs/dbraw/zinc/84/96/41/558849641.db2.gz LALIMMOTOJSBIG-AWEZNQCLSA-N 0 0 405.395 5.049 40 0 HKABRN Cc1ccc([C@@H](Cc2ccsc2)NCc2cnc(-c3ccccc3C)nc2)nc1 ZINC000019215636 558850030 /nfs/dbraw/zinc/85/00/30/558850030.db2.gz YMMOJOBTNNVJHS-HSZRJFAPSA-N 0 0 400.551 5.291 40 0 HKABRN Cc1ccc([C@H](Cc2ccsc2)NCc2cnc(-c3ccccc3C)nc2)nc1 ZINC000019215638 558850099 /nfs/dbraw/zinc/85/00/99/558850099.db2.gz YMMOJOBTNNVJHS-QHCPKHFHSA-N 0 0 400.551 5.291 40 0 HKABRN COc1cc2c(cc1OC)[C@@H](c1ccc(OC(C)C)cc1)N[C@@H](c1ccc(C)cn1)C2 ZINC000019216079 558850036 /nfs/dbraw/zinc/85/00/36/558850036.db2.gz YZMZRXWFPQAEKP-ZEQKJWHPSA-N 0 0 418.537 5.171 40 0 HKABRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C[C@@H]4CCCCO4)C3)c(-c3ccncc3)c2c1 ZINC000019220212 558851676 /nfs/dbraw/zinc/85/16/76/558851676.db2.gz PLPXYOWVHZBPFZ-RTWAWAEBSA-N 0 0 417.553 5.204 40 0 HKABRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C[C@@H]4CCCCO4)C3)c(-c3ccncc3)c2c1 ZINC000019220215 558851681 /nfs/dbraw/zinc/85/16/81/558851681.db2.gz PLPXYOWVHZBPFZ-SFTDATJTSA-N 0 0 417.553 5.204 40 0 HKABRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C[C@H]4CCCCO4)C3)c(-c3ccncc3)c2c1 ZINC000019220217 558851666 /nfs/dbraw/zinc/85/16/66/558851666.db2.gz PLPXYOWVHZBPFZ-NHCUHLMSSA-N 0 0 417.553 5.204 40 0 HKABRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C[C@H]4CCCCO4)C3)c(-c3ccncc3)c2c1 ZINC000019220220 558851619 /nfs/dbraw/zinc/85/16/19/558851619.db2.gz PLPXYOWVHZBPFZ-LEWJYISDSA-N 0 0 417.553 5.204 40 0 HKABRN Cc1ccc2oc(C(=O)N3CCC[C@@H]3c3nnc(-c4nccc5ccccc54)o3)cc2c1 ZINC000019221307 558851840 /nfs/dbraw/zinc/85/18/40/558851840.db2.gz XBNILTSKOMIPND-LJQANCHMSA-N 0 0 424.460 5.317 40 0 HKABRN Cc1ccc2oc(C(=O)N3CCC[C@H]3c3nnc(-c4nccc5ccccc54)o3)cc2c1 ZINC000019221309 558851832 /nfs/dbraw/zinc/85/18/32/558851832.db2.gz XBNILTSKOMIPND-IBGZPJMESA-N 0 0 424.460 5.317 40 0 HKABRN Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3nnc(-c4ccsc4)o3)coc2c1C ZINC000019221719 558852120 /nfs/dbraw/zinc/85/21/20/558852120.db2.gz KFZLPTPMQPGQLO-GOSISDBHSA-N 0 0 407.495 5.067 40 0 HKABRN Cc1ccc2c(CC(=O)N3CCC[C@H]3c3nnc(-c4ccsc4)o3)coc2c1C ZINC000019221722 558852145 /nfs/dbraw/zinc/85/21/45/558852145.db2.gz KFZLPTPMQPGQLO-SFHVURJKSA-N 0 0 407.495 5.067 40 0 HKABRN Cc1nc(-c2ccccn2)sc1C(=O)N(Cc1ccccc1)Cc1cccc(C)n1 ZINC000019236114 558855138 /nfs/dbraw/zinc/85/51/38/558855138.db2.gz BGBVAYDXBLDCQE-UHFFFAOYSA-N 0 0 414.534 5.060 40 0 HKABRN COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3cccc(C)n3)no2)cc1OC ZINC000019236256 558855466 /nfs/dbraw/zinc/85/54/66/558855466.db2.gz AMJAHYPYXMLSLZ-NRFANRHFSA-N 0 0 407.514 5.180 40 0 HKABRN COc1ccc(-c2cc([C@H]3CCCCCN3Cc3cccc(C)n3)no2)cc1OC ZINC000019236257 558855461 /nfs/dbraw/zinc/85/54/61/558855461.db2.gz AMJAHYPYXMLSLZ-OAQYLSRUSA-N 0 0 407.514 5.180 40 0 HKABRN Cc1ccccc1C(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2ccncc2)CC1 ZINC000019236757 558855927 /nfs/dbraw/zinc/85/59/27/558855927.db2.gz YKEQDIILIINVJZ-UHFFFAOYSA-N 0 0 414.553 5.164 40 0 HKABRN Cc1ccccc1-c1ncc(CN[C@@H](Cc2ccsc2)c2ncccc2C)cn1 ZINC000019237562 558856829 /nfs/dbraw/zinc/85/68/29/558856829.db2.gz VGOSKULJDSMIHM-QFIPXVFZSA-N 0 0 400.551 5.291 40 0 HKABRN Cc1ccccc1-c1ncc(CN[C@H](Cc2ccsc2)c2ncccc2C)cn1 ZINC000019237563 558856756 /nfs/dbraw/zinc/85/67/56/558856756.db2.gz VGOSKULJDSMIHM-JOCHJYFZSA-N 0 0 400.551 5.291 40 0 HKABRN COc1cc2c(cc1OC)[C@H](c1ccc(OC(C)C)cc1)N[C@H](c1ncccc1C)C2 ZINC000019237835 558856997 /nfs/dbraw/zinc/85/69/97/558856997.db2.gz SCSOTFCFDXAUIP-NVQXNPDNSA-N 0 0 418.537 5.171 40 0 HKABRN Cc1cnccc1CN1CCCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 ZINC000019239524 558858216 /nfs/dbraw/zinc/85/82/16/558858216.db2.gz ACSWXBHGBURFQX-YSIASYRMSA-N 0 0 421.511 5.257 40 0 HKABRN Cc1cnccc1CN1CCCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 ZINC000019239525 558858249 /nfs/dbraw/zinc/85/82/49/558858249.db2.gz ACSWXBHGBURFQX-DFQSSKMNSA-N 0 0 421.511 5.257 40 0 HKABRN Cc1csc([C@@H](Cc2cccs2)NCc2ccccc2OC[C@@H]2CCCO2)n1 ZINC000019240106 558858730 /nfs/dbraw/zinc/85/87/30/558858730.db2.gz HJAWLDKVUCKHEA-AZUAARDMSA-N 0 0 414.596 5.144 40 0 HKABRN Cc1csc([C@H](Cc2cccs2)NCc2ccccc2OC[C@@H]2CCCO2)n1 ZINC000019240107 558858636 /nfs/dbraw/zinc/85/86/36/558858636.db2.gz HJAWLDKVUCKHEA-ICSRJNTNSA-N 0 0 414.596 5.144 40 0 HKABRN Cc1csc([C@@H](Cc2cccs2)NCc2ccccc2OC[C@H]2CCCO2)n1 ZINC000019240108 558858654 /nfs/dbraw/zinc/85/86/54/558858654.db2.gz HJAWLDKVUCKHEA-UYAOXDASSA-N 0 0 414.596 5.144 40 0 HKABRN Cc1csc([C@H](Cc2cccs2)NCc2ccccc2OC[C@H]2CCCO2)n1 ZINC000019240109 558858724 /nfs/dbraw/zinc/85/87/24/558858724.db2.gz HJAWLDKVUCKHEA-QUCCMNQESA-N 0 0 414.596 5.144 40 0 HKABRN Cc1csc([C@@H](Cc2cccs2)NCc2ccccc2OCc2ccccn2)n1 ZINC000019240110 558858668 /nfs/dbraw/zinc/85/86/68/558858668.db2.gz LGCORBNVLOKJPO-OAQYLSRUSA-N 0 0 421.591 5.561 40 0 HKABRN Cc1csc([C@H](Cc2cccs2)NCc2ccccc2OCc2ccccn2)n1 ZINC000019240111 558858769 /nfs/dbraw/zinc/85/87/69/558858769.db2.gz LGCORBNVLOKJPO-NRFANRHFSA-N 0 0 421.591 5.561 40 0 HKABRN Cc1csc([C@H](Cc2ccsc2)NCc2cc3ccccc3nc2N(C)C)n1 ZINC000019240221 558858798 /nfs/dbraw/zinc/85/87/98/558858798.db2.gz FJLIGOWFJKBGIO-FQEVSTJZSA-N 0 0 408.596 5.201 40 0 HKABRN Cc1csc([C@@H](Cc2ccsc2)NCc2cc3ccccc3nc2N(C)C)n1 ZINC000019240222 558858826 /nfs/dbraw/zinc/85/88/26/558858826.db2.gz FJLIGOWFJKBGIO-HXUWFJFHSA-N 0 0 408.596 5.201 40 0 HKABRN Cc1nc(-c2ccc(C(=O)N3CCc4onc(-c5cccc(F)c5)c4C3)cc2)cs1 ZINC000019285605 558860151 /nfs/dbraw/zinc/86/01/51/558860151.db2.gz NXPWFCVUBIFFJQ-UHFFFAOYSA-N 0 0 419.481 5.111 40 0 HKABRN Cc1ncc(-c2ccncc2)c(CN(Cc2ccccc2)C(=O)CCc2ccccc2)n1 ZINC000019286999 558860700 /nfs/dbraw/zinc/86/07/00/558860700.db2.gz BUFFRMNBXMYISD-UHFFFAOYSA-N 0 0 422.532 5.009 40 0 HKABRN Cn1cc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000019290074 558862527 /nfs/dbraw/zinc/86/25/27/558862527.db2.gz AYNBNXOTWFKFOP-IBGZPJMESA-N 0 0 415.324 5.156 40 0 HKABRN Cn1cc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000019290075 558862484 /nfs/dbraw/zinc/86/24/84/558862484.db2.gz AYNBNXOTWFKFOP-LJQANCHMSA-N 0 0 415.324 5.156 40 0 HKABRN Fc1ccc([C@@H]2COC[C@H]2N(Cc2ccncc2)Cc2c(F)cccc2Cl)cc1 ZINC000019292574 558864555 /nfs/dbraw/zinc/86/45/55/558864555.db2.gz WJQGCMLDHSUINZ-NZQKXSOJSA-N 0 0 414.883 5.198 40 0 HKABRN O=C(c1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 ZINC000019292796 558864521 /nfs/dbraw/zinc/86/45/21/558864521.db2.gz VECONELGWIBAQX-GOSISDBHSA-N 0 0 401.297 5.146 40 0 HKABRN O=C(c1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 ZINC000019292798 558864553 /nfs/dbraw/zinc/86/45/53/558864553.db2.gz VECONELGWIBAQX-SFHVURJKSA-N 0 0 401.297 5.146 40 0 HKABRN O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 ZINC000019292816 558864505 /nfs/dbraw/zinc/86/45/05/558864505.db2.gz KFVOVDWTJKAZAQ-LJQANCHMSA-N 0 0 415.324 5.075 40 0 HKABRN O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 ZINC000019292817 558864448 /nfs/dbraw/zinc/86/44/48/558864448.db2.gz KFVOVDWTJKAZAQ-IBGZPJMESA-N 0 0 415.324 5.075 40 0 HKABRN O=C([C@@H]1CC12CCC2)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)n3ccsc23)C1 ZINC000019294190 558865690 /nfs/dbraw/zinc/86/56/90/558865690.db2.gz UHXYHTUKAMTTGT-QAPCUYQASA-N 0 0 424.545 5.175 40 0 HKABRN O=C([C@@H]1CC12CCC2)N1CCC[C@H](c2nc(Nc3cccc(F)c3)n3ccsc23)C1 ZINC000019294191 558865683 /nfs/dbraw/zinc/86/56/83/558865683.db2.gz UHXYHTUKAMTTGT-YJBOKZPZSA-N 0 0 424.545 5.175 40 0 HKABRN O=C([C@H]1CC12CCC2)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)n3ccsc23)C1 ZINC000019294192 558865611 /nfs/dbraw/zinc/86/56/11/558865611.db2.gz UHXYHTUKAMTTGT-CRAIPNDOSA-N 0 0 424.545 5.175 40 0 HKABRN O=C([C@H]1CC12CCC2)N1CCC[C@H](c2nc(Nc3cccc(F)c3)n3ccsc23)C1 ZINC000019294194 558865841 /nfs/dbraw/zinc/86/58/41/558865841.db2.gz UHXYHTUKAMTTGT-MAUKXSAKSA-N 0 0 424.545 5.175 40 0 HKABRN Clc1ccc(N2C(c3ccccc3)=N[C@H](N3CCCCC3)[C@H]2N2CCCCC2)cc1 ZINC000019319111 558867283 /nfs/dbraw/zinc/86/72/83/558867283.db2.gz RCNKSSYHYNGAHW-RPBOFIJWSA-N 0 0 423.004 5.231 40 0 HKABRN Clc1ccc(CN2CCCN(Cc3ccc(Cl)cc3)C2[C@@H]2CCC=CO2)cc1 ZINC000019319515 558867307 /nfs/dbraw/zinc/86/73/07/558867307.db2.gz JGPPHQWPOBRIBG-QFIPXVFZSA-N 0 0 417.380 5.720 40 0 HKABRN Clc1ccc(C2N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3ccc(Cl)cc3)N2)cc1 ZINC000019319568 558867348 /nfs/dbraw/zinc/86/73/48/558867348.db2.gz TZKQOBKGRGRBAE-UHFFFAOYSA-N 0 0 418.755 5.825 40 0 HKABRN Clc1ccc(N2C(c3ccccc3)=N[C@H](N3CCCCC3)[C@@H]2N2CCCCC2)cc1 ZINC000019320357 558867327 /nfs/dbraw/zinc/86/73/27/558867327.db2.gz RCNKSSYHYNGAHW-JWQCQUIFSA-N 0 0 423.004 5.231 40 0 HKABRN Clc1ccc(N2C(c3ccccc3)=N[C@@H](N3CCCCC3)[C@H]2N2CCCCC2)cc1 ZINC000019321270 558867592 /nfs/dbraw/zinc/86/75/92/558867592.db2.gz RCNKSSYHYNGAHW-DQEYMECFSA-N 0 0 423.004 5.231 40 0 HKABRN CCCCCCC1N(Cc2ccc(Cl)cc2)CCCN1Cc1ccc(Cl)cc1 ZINC000019325697 558867796 /nfs/dbraw/zinc/86/77/96/558867796.db2.gz TUVGYEVBYYTKFC-UHFFFAOYSA-N 0 0 419.440 6.998 40 0 HKABRN COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1ccccc1 ZINC000019326105 558868065 /nfs/dbraw/zinc/86/80/65/558868065.db2.gz QVZDFSKZDZVSPI-UHFFFAOYSA-N 0 0 402.538 5.111 40 0 HKABRN COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1ccccc1F ZINC000019326121 558867992 /nfs/dbraw/zinc/86/79/92/558867992.db2.gz HSGGWPUXWVTNLQ-UHFFFAOYSA-N 0 0 420.528 5.250 40 0 HKABRN COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1cccc(F)c1 ZINC000019326124 558867969 /nfs/dbraw/zinc/86/79/69/558867969.db2.gz RRZUJQWSYKYQPH-UHFFFAOYSA-N 0 0 420.528 5.250 40 0 HKABRN CCCCCCC1N(Cc2ccccc2OC)CCCN1Cc1ccccc1OC ZINC000019326398 558868057 /nfs/dbraw/zinc/86/80/57/558868057.db2.gz KAYXJUWFXQOCDP-UHFFFAOYSA-N 0 0 410.602 5.708 40 0 HKABRN Clc1ccc(N2C(c3ccccc3)=N[C@@H](N3CCCCC3)[C@@H]2N2CCCCC2)cc1 ZINC000019327830 558868007 /nfs/dbraw/zinc/86/80/07/558868007.db2.gz RCNKSSYHYNGAHW-LOSJGSFVSA-N 0 0 423.004 5.231 40 0 HKABRN O=C(c1ccc(Cl)cc1)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1 ZINC000019331928 558868757 /nfs/dbraw/zinc/86/87/57/558868757.db2.gz UQYYOZBTZHQRAU-UHFFFAOYSA-N 0 0 418.928 5.089 40 0 HKABRN O=C(CSc1ccncc1)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)on1 ZINC000019336628 558870175 /nfs/dbraw/zinc/87/01/75/558870175.db2.gz SNFIRFKAANGLFS-FQEVSTJZSA-N 0 0 411.502 5.112 40 0 HKABRN O=C(CSc1ccncc1)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)on1 ZINC000019336632 558870042 /nfs/dbraw/zinc/87/00/42/558870042.db2.gz SNFIRFKAANGLFS-HXUWFJFHSA-N 0 0 411.502 5.112 40 0 HKABRN O=C(c1cccs1)N1CCC(c2nc(-c3ccsc3)cc(C(F)(F)F)n2)CC1 ZINC000019342634 558872277 /nfs/dbraw/zinc/87/22/77/558872277.db2.gz NTWFMVAZVKJMJB-UHFFFAOYSA-N 0 0 423.485 5.305 40 0 HKABRN O=C(C1CC1)N1CCCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000019343861 558872484 /nfs/dbraw/zinc/87/24/84/558872484.db2.gz WSHBILANOPZVEF-YQQAZPJKSA-N 0 0 424.492 5.069 40 0 HKABRN O=C(C1CC1)N1CCCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000019343863 558872582 /nfs/dbraw/zinc/87/25/82/558872582.db2.gz WSHBILANOPZVEF-ZMSDIMECSA-N 0 0 424.492 5.069 40 0 HKABRN O=C(c1cccc2cccnc21)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 ZINC000019347272 558873752 /nfs/dbraw/zinc/87/37/52/558873752.db2.gz SJZIHSRHXUJLAS-UHFFFAOYSA-N 0 0 424.426 5.150 40 0 HKABRN O=C(c1ccccc1Cl)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1 ZINC000019347453 558873763 /nfs/dbraw/zinc/87/37/63/558873763.db2.gz HNFOCJKCOGTQHR-UHFFFAOYSA-N 0 0 418.928 5.089 40 0 HKABRN O=C(N1CCCCC1)C1(Cc2ccccc2-c2coc3ccccc32)CCOCC1 ZINC000019348509 558874374 /nfs/dbraw/zinc/87/43/74/558874374.db2.gz JVYUJNOKURZKOW-UHFFFAOYSA-N 0 0 403.522 5.452 40 0 HKABRN O=C1CCCN1c1ccc(CN(Cc2ccccn2)Cc2ccccc2Cl)cc1 ZINC000019348712 558874567 /nfs/dbraw/zinc/87/45/67/558874567.db2.gz DZBCAZHZIYYGPX-UHFFFAOYSA-N 0 0 405.929 5.064 40 0 HKABRN Oc1ccc(/C=C/CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000019359772 558876129 /nfs/dbraw/zinc/87/61/29/558876129.db2.gz BORXUYRMIOAMIE-OWOJBTEDSA-N 0 0 420.503 5.091 40 0 in-vitro HKABRN Cc1ccc(C(C)C)c2c1CN(CCN1COc3c(C(C)C)ccc(C)c3C1)CO2 ZINC000019365176 558876755 /nfs/dbraw/zinc/87/67/55/558876755.db2.gz JAJGLKRXLRNOLE-UHFFFAOYSA-N 0 0 408.586 5.554 40 0 HKABRN CN1CCN(CCSC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019366466 558877108 /nfs/dbraw/zinc/87/71/08/558877108.db2.gz MDUPRNHWFVJKTI-UHFFFAOYSA-N 0 0 420.003 5.043 40 0 HKABRN O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ncoc1-c1ccccc1Cl ZINC000019368291 558877296 /nfs/dbraw/zinc/87/72/96/558877296.db2.gz OYQAPGTVTQPDHG-UHFFFAOYSA-N 0 0 416.824 5.451 40 0 HKABRN O=C(CCc1nc(-c2ccccc2Cl)no1)N(Cc1cccnc1)C1CCCCC1 ZINC000019368452 558877433 /nfs/dbraw/zinc/87/74/33/558877433.db2.gz IDRVAFGFJUBHCB-UHFFFAOYSA-N 0 0 424.932 5.079 40 0 HKABRN O=C(c1ccccc1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 ZINC000019368771 558877555 /nfs/dbraw/zinc/87/75/55/558877555.db2.gz MBBUANUXKNGJKZ-HSZRJFAPSA-N 0 0 421.504 5.260 40 0 HKABRN O=C(c1ccccc1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 ZINC000019368773 558877449 /nfs/dbraw/zinc/87/74/49/558877449.db2.gz MBBUANUXKNGJKZ-QHCPKHFHSA-N 0 0 421.504 5.260 40 0 HKABRN O=C(c1ccccc1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000019368776 558877530 /nfs/dbraw/zinc/87/75/30/558877530.db2.gz GVANOLNCKPWBJJ-HSZRJFAPSA-N 0 0 421.504 5.260 40 0 HKABRN O=C(c1ccccc1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000019368779 558877513 /nfs/dbraw/zinc/87/75/13/558877513.db2.gz GVANOLNCKPWBJJ-QHCPKHFHSA-N 0 0 421.504 5.260 40 0 HKABRN O=C(C1CCC1)N1CCCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 ZINC000019373031 558880134 /nfs/dbraw/zinc/88/01/34/558880134.db2.gz NAUCXYZJGWCCRF-JOCHJYFZSA-N 0 0 413.525 5.136 40 0 HKABRN O=C(C1CCC1)N1CCCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 ZINC000019373032 558880103 /nfs/dbraw/zinc/88/01/03/558880103.db2.gz NAUCXYZJGWCCRF-QFIPXVFZSA-N 0 0 413.525 5.136 40 0 HKABRN c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCCN3Cc3ccccn3)n2)cc1 ZINC000019373047 558880028 /nfs/dbraw/zinc/88/00/28/558880028.db2.gz WUGVFMCHTYJYGC-XMMPIXPASA-N 0 0 422.536 5.404 40 0 HKABRN c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCCN3Cc3ccccn3)n2)cc1 ZINC000019373048 558880123 /nfs/dbraw/zinc/88/01/23/558880123.db2.gz WUGVFMCHTYJYGC-DEOSSOPVSA-N 0 0 422.536 5.404 40 0 HKABRN c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCCN3Cc3cccnc3)n2)cc1 ZINC000019373049 558880117 /nfs/dbraw/zinc/88/01/17/558880117.db2.gz WOJGEWPSRUIARZ-XMMPIXPASA-N 0 0 422.536 5.404 40 0 HKABRN c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCCN3Cc3cccnc3)n2)cc1 ZINC000019373050 558880083 /nfs/dbraw/zinc/88/00/83/558880083.db2.gz WOJGEWPSRUIARZ-DEOSSOPVSA-N 0 0 422.536 5.404 40 0 HKABRN c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCCN3Cc3cccnc3)n2)cc1 ZINC000019373052 558880155 /nfs/dbraw/zinc/88/01/55/558880155.db2.gz WLNJUTOTEBFGES-XMMPIXPASA-N 0 0 422.536 5.404 40 0 HKABRN c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCCN3Cc3cccnc3)n2)cc1 ZINC000019373053 558880044 /nfs/dbraw/zinc/88/00/44/558880044.db2.gz WLNJUTOTEBFGES-DEOSSOPVSA-N 0 0 422.536 5.404 40 0 HKABRN c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCCN3Cc3ccncc3)n2)cc1 ZINC000019373054 558880109 /nfs/dbraw/zinc/88/01/09/558880109.db2.gz NUWYGFWDPUQZRA-XMMPIXPASA-N 0 0 422.536 5.404 40 0 HKABRN c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCCN3Cc3ccncc3)n2)cc1 ZINC000019373055 558880051 /nfs/dbraw/zinc/88/00/51/558880051.db2.gz NUWYGFWDPUQZRA-DEOSSOPVSA-N 0 0 422.536 5.404 40 0 HKABRN c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCCN3Cc3ccncc3)n2)cc1 ZINC000019373057 558880071 /nfs/dbraw/zinc/88/00/71/558880071.db2.gz VSWOSONNBWFQEV-XMMPIXPASA-N 0 0 422.536 5.404 40 0 HKABRN c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCCN3Cc3ccncc3)n2)cc1 ZINC000019373058 558880057 /nfs/dbraw/zinc/88/00/57/558880057.db2.gz VSWOSONNBWFQEV-DEOSSOPVSA-N 0 0 422.536 5.404 40 0 HKABRN O=C(C1CCCC1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 ZINC000019373190 558880320 /nfs/dbraw/zinc/88/03/20/558880320.db2.gz SMVRKGUAKSMVDC-JOCHJYFZSA-N 0 0 413.525 5.136 40 0 HKABRN O=C(C1CCCC1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 ZINC000019373192 558880340 /nfs/dbraw/zinc/88/03/40/558880340.db2.gz SMVRKGUAKSMVDC-QFIPXVFZSA-N 0 0 413.525 5.136 40 0 HKABRN O=C(C1CCCC1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000019373194 558880318 /nfs/dbraw/zinc/88/03/18/558880318.db2.gz VILCUEHMKIAAFI-JOCHJYFZSA-N 0 0 413.525 5.136 40 0 HKABRN O=C(C1CCCC1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000019373195 558880412 /nfs/dbraw/zinc/88/04/12/558880412.db2.gz VILCUEHMKIAAFI-QFIPXVFZSA-N 0 0 413.525 5.136 40 0 HKABRN c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCN3Cc3ccccn3)n2)cc1 ZINC000019373255 558880309 /nfs/dbraw/zinc/88/03/09/558880309.db2.gz VJZOICIJHLFQDG-QHCPKHFHSA-N 0 0 408.509 5.014 40 0 HKABRN c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCN3Cc3ccccn3)n2)cc1 ZINC000019373257 558880415 /nfs/dbraw/zinc/88/04/15/558880415.db2.gz VJZOICIJHLFQDG-HSZRJFAPSA-N 0 0 408.509 5.014 40 0 HKABRN c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCN3Cc3ccncc3)n2)cc1 ZINC000019373261 558880322 /nfs/dbraw/zinc/88/03/22/558880322.db2.gz LNXUFXGYOZWGBA-QHCPKHFHSA-N 0 0 408.509 5.014 40 0 HKABRN c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCN3Cc3ccncc3)n2)cc1 ZINC000019373262 558880406 /nfs/dbraw/zinc/88/04/06/558880406.db2.gz LNXUFXGYOZWGBA-HSZRJFAPSA-N 0 0 408.509 5.014 40 0 HKABRN O=C(C1CCCC1)N1CCC(c2nc(-c3ccccc3)ncc2-c2ccncc2)CC1 ZINC000019374396 558881234 /nfs/dbraw/zinc/88/12/34/558881234.db2.gz GCQOCPSKAOXWBA-UHFFFAOYSA-N 0 0 412.537 5.102 40 0 HKABRN O=c1c(CN2CCCCC[C@@H]2c2cc(-c3cccs3)on2)coc2ccccc21 ZINC000019375883 558882167 /nfs/dbraw/zinc/88/21/67/558882167.db2.gz QMTSTADVRMJZDH-LJQANCHMSA-N 0 0 406.507 5.627 40 0 HKABRN O=c1c(CN2CCCCC[C@H]2c2cc(-c3cccs3)on2)coc2ccccc21 ZINC000019375884 558882152 /nfs/dbraw/zinc/88/21/52/558882152.db2.gz QMTSTADVRMJZDH-IBGZPJMESA-N 0 0 406.507 5.627 40 0 HKABRN O=C(c1cc2ccccc2o1)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 ZINC000019376265 558882239 /nfs/dbraw/zinc/88/22/39/558882239.db2.gz DKAFVFYRWWXJOX-UHFFFAOYSA-N 0 0 413.399 5.348 40 0 HKABRN CC1=C(C(=O)OC(C)(C)C)C(c2c[nH]c3ccccc32)C(C(=O)OC(C)(C)C)=C(C)N1 ZINC000019418522 558885383 /nfs/dbraw/zinc/88/53/83/558885383.db2.gz XBWOIZSNTGDHGN-UHFFFAOYSA-N 0 0 424.541 5.086 40 0 HKABRN CC(C)CC(=O)N1CCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019446419 558886348 /nfs/dbraw/zinc/88/63/48/558886348.db2.gz NQBCDFNGVOYQRV-OAQYLSRUSA-N 0 0 419.504 5.131 40 0 HKABRN CC(C)CC(=O)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019446421 558886315 /nfs/dbraw/zinc/88/63/15/558886315.db2.gz NQBCDFNGVOYQRV-NRFANRHFSA-N 0 0 419.504 5.131 40 0 HKABRN CC(C)c1nc(C2CCN(C(=O)CCc3ccccc3)CC2)ncc1-c1ccncc1 ZINC000019451540 558889712 /nfs/dbraw/zinc/88/97/12/558889712.db2.gz CAGDLXOHNXJZFM-UHFFFAOYSA-N 0 0 414.553 5.001 40 0 HKABRN CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3[C@@H](C)c3ccncc3)cc2n1 ZINC000019452344 558890349 /nfs/dbraw/zinc/89/03/49/558890349.db2.gz PYAXCEDGKCRUTM-KSSFIOAISA-N 0 0 403.452 5.165 40 0 HKABRN CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3[C@@H](C)c3ccncc3)cc2n1 ZINC000019452346 558890376 /nfs/dbraw/zinc/89/03/76/558890376.db2.gz PYAXCEDGKCRUTM-KBXCAEBGSA-N 0 0 403.452 5.165 40 0 HKABRN COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)c3cc(C(C)C)on3)on2)cc1 ZINC000019452724 558890550 /nfs/dbraw/zinc/89/05/50/558890550.db2.gz BSKPVVKCJQONPE-FQEVSTJZSA-N 0 0 409.486 5.219 40 0 HKABRN COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)c3cc(C(C)C)on3)on2)cc1 ZINC000019452726 558890524 /nfs/dbraw/zinc/89/05/24/558890524.db2.gz BSKPVVKCJQONPE-HXUWFJFHSA-N 0 0 409.486 5.219 40 0 HKABRN CC(C)c1ccccc1NC(=O)c1cc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)no1 ZINC000019453340 558890757 /nfs/dbraw/zinc/89/07/57/558890757.db2.gz ALIQJGZEDNHTSX-LJQANCHMSA-N 0 0 423.557 5.337 40 0 HKABRN CC(C)c1ccccc1NC(=O)c1cc([C@H]2CCCN(C(=O)C3CCCCC3)C2)no1 ZINC000019453342 558890814 /nfs/dbraw/zinc/89/08/14/558890814.db2.gz ALIQJGZEDNHTSX-IBGZPJMESA-N 0 0 423.557 5.337 40 0 HKABRN CC(C)n1c2ccccc2nc1CN(CCCn1ccnc1)Cc1ccccc1F ZINC000019454724 558891443 /nfs/dbraw/zinc/89/14/43/558891443.db2.gz RCTQXNIIVTZUDW-UHFFFAOYSA-N 0 0 405.521 5.045 40 0 HKABRN CC(C)n1c2ccccc2nc1CN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1 ZINC000019454739 558891457 /nfs/dbraw/zinc/89/14/57/558891457.db2.gz MRWDAWIHLVNEFA-UHFFFAOYSA-N 0 0 417.475 5.120 40 0 HKABRN COc1cc2c(cc1OC)[C@@H](C[C@@H](C)c1ccccc1)N[C@@H](c1cccnc1OC)C2 ZINC000019456731 558892028 /nfs/dbraw/zinc/89/20/28/558892028.db2.gz YCOANWSXIOOPPL-NLSFWIRASA-N 0 0 418.537 5.229 40 0 HKABRN COc1cc2c(cc1OC)[C@@H](C[C@H](C)c1ccccc1)N[C@@H](c1cccnc1OC)C2 ZINC000019456733 558892005 /nfs/dbraw/zinc/89/20/05/558892005.db2.gz YCOANWSXIOOPPL-JJEOQYAHSA-N 0 0 418.537 5.229 40 0 HKABRN CC(=O)N1CCc2cc(NCc3nc4ccccc4n3[C@@H](C)c3ccccc3)ccc21 ZINC000019459510 558892989 /nfs/dbraw/zinc/89/29/89/558892989.db2.gz GALPSWZJXNPPRZ-SFHVURJKSA-N 0 0 410.521 5.167 40 0 HKABRN CC(=O)N1CCc2cc(NCc3nc4ccccc4n3[C@H](C)c3ccccc3)ccc21 ZINC000019459512 558893070 /nfs/dbraw/zinc/89/30/70/558893070.db2.gz GALPSWZJXNPPRZ-GOSISDBHSA-N 0 0 410.521 5.167 40 0 HKABRN CCC(CC)C(=O)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019500087 558898096 /nfs/dbraw/zinc/89/80/96/558898096.db2.gz GTPJNWOTLNUUEZ-HXUWFJFHSA-N 0 0 415.541 5.034 40 0 HKABRN CCC(CC)C(=O)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019500088 558898114 /nfs/dbraw/zinc/89/81/14/558898114.db2.gz GTPJNWOTLNUUEZ-FQEVSTJZSA-N 0 0 415.541 5.034 40 0 HKABRN CCC(CC)C(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 ZINC000019500166 558898339 /nfs/dbraw/zinc/89/83/39/558898339.db2.gz YMMGRHGZESLMKG-JOCHJYFZSA-N 0 0 415.541 5.382 40 0 HKABRN CCC(CC)C(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 ZINC000019500167 558898296 /nfs/dbraw/zinc/89/82/96/558898296.db2.gz YMMGRHGZESLMKG-QFIPXVFZSA-N 0 0 415.541 5.382 40 0 HKABRN CCC(CC)C(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000019500168 558898348 /nfs/dbraw/zinc/89/83/48/558898348.db2.gz PBVWZRHJLRGQEW-JOCHJYFZSA-N 0 0 415.541 5.382 40 0 HKABRN CCC(CC)C(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000019500169 558898319 /nfs/dbraw/zinc/89/83/19/558898319.db2.gz PBVWZRHJLRGQEW-QFIPXVFZSA-N 0 0 415.541 5.382 40 0 HKABRN CCC(CC)C(=O)NCc1ccc(-c2nc(C(C)C)ncc2-c2cc(C)no2)cc1 ZINC000019500277 558898322 /nfs/dbraw/zinc/89/83/22/558898322.db2.gz HVQLKDCVKRFIHD-UHFFFAOYSA-N 0 0 406.530 5.283 40 0 HKABRN CCCC(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1 ZINC000019501006 132467673 /nfs/dbraw/zinc/46/76/73/132467673.db2.gz HCXDAYPAMNKQBJ-UHFFFAOYSA-N 0 0 411.571 5.042 40 0 HKABRN CCCC(=O)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 ZINC000019501394 558899507 /nfs/dbraw/zinc/89/95/07/558899507.db2.gz WLSZDNPZAJYDMB-OAQYLSRUSA-N 0 0 419.504 5.275 40 0 HKABRN CCCC(=O)N1CCCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 ZINC000019501395 558899440 /nfs/dbraw/zinc/89/94/40/558899440.db2.gz WLSZDNPZAJYDMB-NRFANRHFSA-N 0 0 419.504 5.275 40 0 HKABRN CCCC(=O)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019501396 558899508 /nfs/dbraw/zinc/89/95/08/558899508.db2.gz MQCXVABYFFOWCS-OAQYLSRUSA-N 0 0 419.504 5.275 40 0 HKABRN CCCC(=O)N1CCCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019501397 558899495 /nfs/dbraw/zinc/89/94/95/558899495.db2.gz MQCXVABYFFOWCS-NRFANRHFSA-N 0 0 419.504 5.275 40 0 HKABRN CCCC(=O)N1CCCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 ZINC000019501398 558899448 /nfs/dbraw/zinc/89/94/48/558899448.db2.gz BKFQDNOACGTDLY-OAQYLSRUSA-N 0 0 401.514 5.136 40 0 HKABRN CCCC(=O)N1CCCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 ZINC000019501399 558899493 /nfs/dbraw/zinc/89/94/93/558899493.db2.gz BKFQDNOACGTDLY-NRFANRHFSA-N 0 0 401.514 5.136 40 0 HKABRN CCCC(=O)N1CCCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000019501400 558899424 /nfs/dbraw/zinc/89/94/24/558899424.db2.gz FZZOJVPHVYOMDW-OAQYLSRUSA-N 0 0 401.514 5.136 40 0 HKABRN CCCC(=O)N1CCCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000019501401 558899482 /nfs/dbraw/zinc/89/94/82/558899482.db2.gz FZZOJVPHVYOMDW-NRFANRHFSA-N 0 0 401.514 5.136 40 0 HKABRN CCOc1ccc2oc(C)c(C(=O)Nc3c(C)c(-c4ccc(OC)cc4)nn3C)c2c1 ZINC000019519899 558900901 /nfs/dbraw/zinc/90/09/01/558900901.db2.gz NNQHSWTYXQXTST-UHFFFAOYSA-N 0 0 419.481 5.110 40 0 HKABRN CCOc1ccccc1CNc1ccc([C@H]2c3ccsc3CCN2C(C)=O)cc1 ZINC000019520209 558900981 /nfs/dbraw/zinc/90/09/81/558900981.db2.gz VGDHQLKHHSJZMP-DEOSSOPVSA-N 0 0 406.551 5.253 40 0 HKABRN CCOc1ccccc1CNc1ccc([C@@H]2c3ccsc3CCN2C(C)=O)cc1 ZINC000019520210 558901009 /nfs/dbraw/zinc/90/10/09/558901009.db2.gz VGDHQLKHHSJZMP-XMMPIXPASA-N 0 0 406.551 5.253 40 0 HKABRN CCn1ncc(CN2CCCCC[C@@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)c1C ZINC000019523958 558905128 /nfs/dbraw/zinc/90/51/28/558905128.db2.gz HSIFCSJTMGZOSV-OAQYLSRUSA-N 0 0 424.545 5.001 40 0 HKABRN CCn1ncc(CN2CCCCC[C@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)c1C ZINC000019523959 558905294 /nfs/dbraw/zinc/90/52/94/558905294.db2.gz HSIFCSJTMGZOSV-NRFANRHFSA-N 0 0 424.545 5.001 40 0 HKABRN CCn1cc(CN2CCCCC[C@@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)c(C)n1 ZINC000019524550 558905671 /nfs/dbraw/zinc/90/56/71/558905671.db2.gz SZUNTWYHWJYKFG-OAQYLSRUSA-N 0 0 424.545 5.001 40 0 HKABRN CCn1cc(CN2CCCCC[C@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)c(C)n1 ZINC000019524551 558905703 /nfs/dbraw/zinc/90/57/03/558905703.db2.gz SZUNTWYHWJYKFG-NRFANRHFSA-N 0 0 424.545 5.001 40 0 HKABRN CCCc1ncc(-c2cc(C)no2)c([C@@H]2CCCCN2C(=O)CC2CCCCC2)n1 ZINC000019525508 558906743 /nfs/dbraw/zinc/90/67/43/558906743.db2.gz PZYCGLNUNZKMOK-FQEVSTJZSA-N 0 0 410.562 5.417 40 0 HKABRN CCCc1ncc(-c2cc(C)no2)c([C@H]2CCCCN2C(=O)CC2CCCCC2)n1 ZINC000019525509 558906662 /nfs/dbraw/zinc/90/66/62/558906662.db2.gz PZYCGLNUNZKMOK-HXUWFJFHSA-N 0 0 410.562 5.417 40 0 HKABRN CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)Cc2ccc(C)cc2)n1 ZINC000019525534 558906893 /nfs/dbraw/zinc/90/68/93/558906893.db2.gz KEIJTGUYRPLOGX-QHCPKHFHSA-N 0 0 414.553 5.096 40 0 HKABRN CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)Cc2ccc(C)cc2)n1 ZINC000019525535 558906926 /nfs/dbraw/zinc/90/69/26/558906926.db2.gz KEIJTGUYRPLOGX-HSZRJFAPSA-N 0 0 414.553 5.096 40 0 HKABRN CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2csc(C)c2)n1 ZINC000019525574 558906896 /nfs/dbraw/zinc/90/68/96/558906896.db2.gz QNSIHBDLBDHWPK-FQEVSTJZSA-N 0 0 406.555 5.228 40 0 HKABRN CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2csc(C)c2)n1 ZINC000019525575 558906902 /nfs/dbraw/zinc/90/69/02/558906902.db2.gz QNSIHBDLBDHWPK-HXUWFJFHSA-N 0 0 406.555 5.228 40 0 HKABRN CCOc1cc(CN[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)ccc1OC ZINC000019532149 558912349 /nfs/dbraw/zinc/91/23/49/558912349.db2.gz IYDSPBNVEWHUIG-SFHVURJKSA-N 0 0 402.585 5.302 40 0 HKABRN CCOc1cc(CN[C@H](Cc2ccsc2)c2nc(C)c(C)s2)ccc1OC ZINC000019532151 558912337 /nfs/dbraw/zinc/91/23/37/558912337.db2.gz IYDSPBNVEWHUIG-GOSISDBHSA-N 0 0 402.585 5.302 40 0 HKABRN CCOc1cc2c(cc1CN[C@@H](Cc1ccsc1)c1nc(C)cs1)O[C@H](C)C2 ZINC000019532529 558912673 /nfs/dbraw/zinc/91/26/73/558912673.db2.gz NSFQGPGVARSDJG-BEFAXECRSA-N 0 0 414.596 5.309 40 0 HKABRN CCOc1cc2c(cc1CN[C@@H](Cc1ccsc1)c1nc(C)cs1)O[C@@H](C)C2 ZINC000019532531 558912581 /nfs/dbraw/zinc/91/25/81/558912581.db2.gz NSFQGPGVARSDJG-KXBFYZLASA-N 0 0 414.596 5.309 40 0 HKABRN CCOc1cc2c(cc1CN[C@H](Cc1ccsc1)c1nc(C)cs1)O[C@H](C)C2 ZINC000019532533 558912534 /nfs/dbraw/zinc/91/25/34/558912534.db2.gz NSFQGPGVARSDJG-DNVCBOLYSA-N 0 0 414.596 5.309 40 0 HKABRN CCOc1cc2c(cc1CN[C@H](Cc1ccsc1)c1nc(C)cs1)O[C@@H](C)C2 ZINC000019532535 558912682 /nfs/dbraw/zinc/91/26/82/558912682.db2.gz NSFQGPGVARSDJG-HNAYVOBHSA-N 0 0 414.596 5.309 40 0 HKABRN CCOc1ccc(CNc2ccc([C@H]3c4ccsc4CCN3C(C)=O)cc2)cc1 ZINC000019533414 558913267 /nfs/dbraw/zinc/91/32/67/558913267.db2.gz QGQVSPHEHJZFJC-DEOSSOPVSA-N 0 0 406.551 5.253 40 0 HKABRN CCOc1ccc(CNc2ccc([C@@H]3c4ccsc4CCN3C(C)=O)cc2)cc1 ZINC000019533416 558913200 /nfs/dbraw/zinc/91/32/00/558913200.db2.gz QGQVSPHEHJZFJC-XMMPIXPASA-N 0 0 406.551 5.253 40 0 HKABRN CCOc1ccc(N[C@@H](c2ccccc2)c2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000019533541 558913244 /nfs/dbraw/zinc/91/32/44/558913244.db2.gz SEOFJAWMJNUXSH-DEOSSOPVSA-N 0 0 400.478 5.137 40 0 HKABRN CCOc1ccc(N[C@H](c2ccccc2)c2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000019533543 558913187 /nfs/dbraw/zinc/91/31/87/558913187.db2.gz SEOFJAWMJNUXSH-XMMPIXPASA-N 0 0 400.478 5.137 40 0 HKABRN CCOc1ccc(CN[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)cc1OC ZINC000019533951 558913551 /nfs/dbraw/zinc/91/35/51/558913551.db2.gz GOMZAZIQFYIVGL-SFHVURJKSA-N 0 0 402.585 5.302 40 0 HKABRN CCOc1ccc(CN[C@H](Cc2ccsc2)c2nc(C)c(C)s2)cc1OC ZINC000019533953 558913547 /nfs/dbraw/zinc/91/35/47/558913547.db2.gz GOMZAZIQFYIVGL-GOSISDBHSA-N 0 0 402.585 5.302 40 0 HKABRN COc1cc(CN2CCCCC[C@@H]2c2cc(-c3cccs3)on2)cc(OC)c1O ZINC000019549401 558914187 /nfs/dbraw/zinc/91/41/87/558914187.db2.gz JTJWCIDTEGXZNP-QGZVFWFLSA-N 0 0 414.527 5.243 40 0 HKABRN COc1cc(CN2CCCCC[C@H]2c2cc(-c3cccs3)on2)cc(OC)c1O ZINC000019549403 558914166 /nfs/dbraw/zinc/91/41/66/558914166.db2.gz JTJWCIDTEGXZNP-KRWDZBQOSA-N 0 0 414.527 5.243 40 0 HKABRN COc1cc(CN[C@@H](Cc2cccs2)c2nccs2)ccc1OC1CCCC1 ZINC000019550135 558914940 /nfs/dbraw/zinc/91/49/40/558914940.db2.gz YCCGSBUFQQWRQM-IBGZPJMESA-N 0 0 414.596 5.608 40 0 HKABRN COc1cc(CN[C@H](Cc2cccs2)c2nccs2)ccc1OC1CCCC1 ZINC000019550137 558915007 /nfs/dbraw/zinc/91/50/07/558915007.db2.gz YCCGSBUFQQWRQM-LJQANCHMSA-N 0 0 414.596 5.608 40 0 HKABRN COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@H](c3cc(F)ccc3F)N1CC2 ZINC000019550719 558915194 /nfs/dbraw/zinc/91/51/94/558915194.db2.gz AZEUVOQCEXPIMD-RPWUZVMVSA-N 0 0 408.448 5.054 40 0 HKABRN COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@@H](c3cc(F)ccc3F)N1CC2 ZINC000019550721 558915242 /nfs/dbraw/zinc/91/52/42/558915242.db2.gz AZEUVOQCEXPIMD-DNQXCXABSA-N 0 0 408.448 5.054 40 0 HKABRN COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@H](c3ccc(F)c(F)c3)N1CC2 ZINC000019550723 558915236 /nfs/dbraw/zinc/91/52/36/558915236.db2.gz CPQKGOHIFYQAKA-RPWUZVMVSA-N 0 0 408.448 5.054 40 0 HKABRN COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@@H](c3ccc(F)c(F)c3)N1CC2 ZINC000019550725 558915201 /nfs/dbraw/zinc/91/52/01/558915201.db2.gz CPQKGOHIFYQAKA-DNQXCXABSA-N 0 0 408.448 5.054 40 0 HKABRN COc1cc2c(cc1OC)[C@H](c1ccc(Cl)c(Cl)c1)N[C@H](c1ccccn1)C2 ZINC000019550739 558915355 /nfs/dbraw/zinc/91/53/55/558915355.db2.gz XZZFYZJSGSZKFY-UGKGYDQZSA-N 0 0 415.320 5.382 40 0 HKABRN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1Cl)N[C@H](c1ccccn1)C2 ZINC000019550744 558915306 /nfs/dbraw/zinc/91/53/06/558915306.db2.gz FJGYWSQXOZZCQI-AVRDEDQJSA-N 0 0 415.320 5.382 40 0 HKABRN COc1cc2c(cc1OC)[C@H](c1ccc(Cl)c(Cl)c1)N[C@H](c1cccnc1)C2 ZINC000019550759 558915371 /nfs/dbraw/zinc/91/53/71/558915371.db2.gz HSRHXYXERKDGBU-UGKGYDQZSA-N 0 0 415.320 5.382 40 0 HKABRN Cc1nccn1Cc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 ZINC000019555614 558918394 /nfs/dbraw/zinc/91/83/94/558918394.db2.gz NJZAQCPKCKASNA-UHFFFAOYSA-N 0 0 406.486 5.063 40 0 HKABRN Cc1noc(-c2cn[nH]c2[C@@H]2CCCCN2Cc2ccc(Cl)c(Cl)c2)c1C ZINC000019557923 558919772 /nfs/dbraw/zinc/91/97/72/558919772.db2.gz KZHFELJSGTUJGU-SFHVURJKSA-N 0 0 405.329 5.716 40 0 HKABRN Cc1noc(-c2cn[nH]c2[C@H]2CCCCN2Cc2ccc(Cl)c(Cl)c2)c1C ZINC000019557926 558919802 /nfs/dbraw/zinc/91/98/02/558919802.db2.gz KZHFELJSGTUJGU-GOSISDBHSA-N 0 0 405.329 5.716 40 0 HKABRN Cc1noc(-c2cn[nH]c2[C@@H]2CCCCN2Cc2cccc(Cl)c2Cl)c1C ZINC000019557982 558919763 /nfs/dbraw/zinc/91/97/63/558919763.db2.gz CNBNCZIRQWHLTC-KRWDZBQOSA-N 0 0 405.329 5.716 40 0 HKABRN Cc1noc(-c2cn[nH]c2[C@H]2CCCCN2Cc2cccc(Cl)c2Cl)c1C ZINC000019557985 558919742 /nfs/dbraw/zinc/91/97/42/558919742.db2.gz CNBNCZIRQWHLTC-QGZVFWFLSA-N 0 0 405.329 5.716 40 0 HKABRN COc1ccc(-c2ccccc2CC2(C(=O)NCc3cccs3)CCOCC2)cc1 ZINC000019558375 558920155 /nfs/dbraw/zinc/92/01/55/558920155.db2.gz SOWVBYLZNWXKNX-UHFFFAOYSA-N 0 0 421.562 5.079 40 0 HKABRN Cc1nc([C@@H](Cc2ccsc2)NCc2ccc(N3CCCC3=O)cc2)sc1C ZINC000019559876 558921166 /nfs/dbraw/zinc/92/11/66/558921166.db2.gz QMVPGGXWAZSFOV-HXUWFJFHSA-N 0 0 411.596 5.022 40 0 HKABRN Cc1nc([C@H](Cc2ccsc2)NCc2ccc(N3CCCC3=O)cc2)sc1C ZINC000019559879 558921139 /nfs/dbraw/zinc/92/11/39/558921139.db2.gz QMVPGGXWAZSFOV-FQEVSTJZSA-N 0 0 411.596 5.022 40 0 HKABRN Cc1nc(-c2ccccn2)sc1C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000019561021 558922025 /nfs/dbraw/zinc/92/20/25/558922025.db2.gz ZIONVVGVJAQLOP-GOSISDBHSA-N 0 0 423.588 5.424 40 0 HKABRN Cc1nc(-c2ccccn2)sc1C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000019561024 558921935 /nfs/dbraw/zinc/92/19/35/558921935.db2.gz ZIONVVGVJAQLOP-SFHVURJKSA-N 0 0 423.588 5.424 40 0 HKABRN Cc1noc2nc(C3CCN(C(=O)c4csc(C)c4C)CC3)cc(C(F)F)c12 ZINC000019561844 558922618 /nfs/dbraw/zinc/92/26/18/558922618.db2.gz RZIXJFCORUKNPQ-UHFFFAOYSA-N 0 0 405.470 5.167 40 0 HKABRN Cc1scc(C(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)c1C ZINC000019561853 558922561 /nfs/dbraw/zinc/92/25/61/558922561.db2.gz KIPIIABBJLYYFL-UHFFFAOYSA-N 0 0 407.461 5.280 40 0 HKABRN Cc1ncsc1-c1nnc(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)o1 ZINC000019563182 558923547 /nfs/dbraw/zinc/92/35/47/558923547.db2.gz OMCNQUNJWREYTC-UHFFFAOYSA-N 0 0 409.342 5.188 40 0 HKABRN COc1ccc2nc(CN3CCCC[C@@H]3c3nnc(-c4ccsc4)o3)ccc2c1 ZINC000019563698 558923663 /nfs/dbraw/zinc/92/36/63/558923663.db2.gz NLFNXDWBVNAZKL-HXUWFJFHSA-N 0 0 406.511 5.082 40 0 HKABRN COc1ccc2nc(CN3CCCC[C@H]3c3nnc(-c4ccsc4)o3)ccc2c1 ZINC000019563701 558923763 /nfs/dbraw/zinc/92/37/63/558923763.db2.gz NLFNXDWBVNAZKL-FQEVSTJZSA-N 0 0 406.511 5.082 40 0 HKABRN COc1cccc(CC(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)c1 ZINC000019564331 558924463 /nfs/dbraw/zinc/92/44/63/558924463.db2.gz OGICQJJKLPIYRF-JOCHJYFZSA-N 0 0 408.473 5.176 40 0 HKABRN COc1cccc(CC(=O)N2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)c1 ZINC000019564334 558924495 /nfs/dbraw/zinc/92/44/95/558924495.db2.gz OGICQJJKLPIYRF-QFIPXVFZSA-N 0 0 408.473 5.176 40 0 HKABRN Cc1noc2nc(C3CCN(C(=O)[C@H](C)c4ccccc4)CC3)cc(C(F)(F)F)c12 ZINC000019564480 558924490 /nfs/dbraw/zinc/92/44/90/558924490.db2.gz GASMJWFSQKNBNJ-CYBMUJFWSA-N 0 0 417.431 5.060 40 0 HKABRN Cc1noc2nc(C3CCN(C(=O)[C@@H](C)c4ccccc4)CC3)cc(C(F)(F)F)c12 ZINC000019564484 558924437 /nfs/dbraw/zinc/92/44/37/558924437.db2.gz GASMJWFSQKNBNJ-ZDUSSCGKSA-N 0 0 417.431 5.060 40 0 HKABRN Cc1cc(CN(Cc2cccnc2)Cc2ccccc2F)c(C)n1-c1cccnc1 ZINC000019567642 558926724 /nfs/dbraw/zinc/92/67/24/558926724.db2.gz ANJIFJBIASHZON-UHFFFAOYSA-N 0 0 400.501 5.226 40 0 HKABRN COc1cccc(CN[C@@H](Cc2cccs2)c2nccs2)c1OC1CCCC1 ZINC000019568173 558927358 /nfs/dbraw/zinc/92/73/58/558927358.db2.gz OUCIEHXHWZCPNT-IBGZPJMESA-N 0 0 414.596 5.608 40 0 HKABRN COc1cccc(CN[C@H](Cc2cccs2)c2nccs2)c1OC1CCCC1 ZINC000019568176 558927291 /nfs/dbraw/zinc/92/72/91/558927291.db2.gz OUCIEHXHWZCPNT-LJQANCHMSA-N 0 0 414.596 5.608 40 0 HKABRN COc1cccc(CN[C@@H](Cc2ccsc2)c2nccs2)c1OC1CCCC1 ZINC000019568179 558927296 /nfs/dbraw/zinc/92/72/96/558927296.db2.gz DSRUGBOLESTRFE-IBGZPJMESA-N 0 0 414.596 5.608 40 0 HKABRN COc1cccc(CN[C@H](Cc2ccsc2)c2nccs2)c1OC1CCCC1 ZINC000019568182 558927269 /nfs/dbraw/zinc/92/72/69/558927269.db2.gz DSRUGBOLESTRFE-LJQANCHMSA-N 0 0 414.596 5.608 40 0 HKABRN Cc1cc2occ(CC(=O)N3CCC[C@@H]3c3nnc(-c4ccsc4)o3)c2c(C)c1 ZINC000019568427 558927492 /nfs/dbraw/zinc/92/74/92/558927492.db2.gz GJSGFBFCBHYTHW-QGZVFWFLSA-N 0 0 407.495 5.067 40 0 HKABRN Cc1cc2occ(CC(=O)N3CCC[C@H]3c3nnc(-c4ccsc4)o3)c2c(C)c1 ZINC000019568430 558927514 /nfs/dbraw/zinc/92/75/14/558927514.db2.gz GJSGFBFCBHYTHW-KRWDZBQOSA-N 0 0 407.495 5.067 40 0 HKABRN COc1ccccc1CC(=O)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)on1 ZINC000019569626 558928632 /nfs/dbraw/zinc/92/86/32/558928632.db2.gz JTTDPLNXRHRTAG-OAQYLSRUSA-N 0 0 408.473 5.176 40 0 HKABRN COc1ccccc1CC(=O)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)on1 ZINC000019569628 558928711 /nfs/dbraw/zinc/92/87/11/558928711.db2.gz JTTDPLNXRHRTAG-NRFANRHFSA-N 0 0 408.473 5.176 40 0 HKABRN CC(=O)Nc1ccc(Oc2cc(C)nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)c2)cc1 ZINC000019570110 558928933 /nfs/dbraw/zinc/92/89/33/558928933.db2.gz JYMSKPGHDOEEAO-HXUWFJFHSA-N 0 0 421.541 5.037 40 0 HKABRN CC(=O)Nc1ccc(Oc2cc(C)nc([C@H]3CCCN(C(=O)C4CCCC4)C3)c2)cc1 ZINC000019570113 558928928 /nfs/dbraw/zinc/92/89/28/558928928.db2.gz JYMSKPGHDOEEAO-FQEVSTJZSA-N 0 0 421.541 5.037 40 0 HKABRN COc1ccccc1-c1ccc(CN[C@@H](Cc2ccsc2)c2nccs2)cc1 ZINC000019571692 558930115 /nfs/dbraw/zinc/93/01/15/558930115.db2.gz KJKLBWMTSHFBBI-NRFANRHFSA-N 0 0 406.576 5.954 40 0 HKABRN COc1ccccc1-c1ccc(CN[C@H](Cc2ccsc2)c2nccs2)cc1 ZINC000019571696 558930121 /nfs/dbraw/zinc/93/01/21/558930121.db2.gz KJKLBWMTSHFBBI-OAQYLSRUSA-N 0 0 406.576 5.954 40 0 HKABRN Cc1cc(C)n(Cc2c(C)onc2C(=O)Nc2ccccc2Oc2ccc(F)cc2)n1 ZINC000019574367 558931933 /nfs/dbraw/zinc/93/19/33/558931933.db2.gz QMWBLJDYJBAFFB-UHFFFAOYSA-N 0 0 420.444 5.028 40 0 HKABRN Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(-c4csc(C)n4)cc3)c2)n1 ZINC000019574532 558932145 /nfs/dbraw/zinc/93/21/45/558932145.db2.gz PJOMBZSUZXRTAD-UHFFFAOYSA-N 0 0 402.523 5.232 40 0 HKABRN Cc1nn(Cc2ccccc2)c(C)c1CN(Cc1cccnc1)Cc1ccccc1F ZINC000019578322 558933984 /nfs/dbraw/zinc/93/39/84/558933984.db2.gz GMVLZLSTTQOACJ-UHFFFAOYSA-N 0 0 414.528 5.285 40 0 HKABRN Cc1onc(C(C)C)c1C(=O)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 ZINC000019579556 558935131 /nfs/dbraw/zinc/93/51/31/558935131.db2.gz DXPCOYRYRSSYDI-UHFFFAOYSA-N 0 0 420.435 5.021 40 0 HKABRN COc1ccccc1-c1noc(C)c1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 ZINC000019579692 558935312 /nfs/dbraw/zinc/93/53/12/558935312.db2.gz UYMQRVUVLSGRDG-UHFFFAOYSA-N 0 0 423.469 5.482 40 0 HKABRN COc1ccccc1-c1noc(C)c1C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000019579694 558935273 /nfs/dbraw/zinc/93/52/73/558935273.db2.gz XVLOZONGWURLOJ-UHFFFAOYSA-N 0 0 423.469 5.097 40 0 HKABRN Cc1noc(C)c1Cc1c(C)onc1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1 ZINC000019580979 558936640 /nfs/dbraw/zinc/93/66/40/558936640.db2.gz FOTZZGFZKWQFHJ-UHFFFAOYSA-N 0 0 405.429 5.237 40 0 HKABRN Cc1noc(C)c1Cc1c(C)onc1C(=O)Nc1ccc(-c2cccc(F)c2)cc1 ZINC000019580982 558936628 /nfs/dbraw/zinc/93/66/28/558936628.db2.gz XDOURTPTWYIATN-UHFFFAOYSA-N 0 0 405.429 5.237 40 0 HKABRN Cc1noc(C)c1Cc1c(C)onc1C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000019580989 558936638 /nfs/dbraw/zinc/93/66/38/558936638.db2.gz QNEORDFVEVJOKL-UHFFFAOYSA-N 0 0 410.499 5.164 40 0 HKABRN Cc1noc(C)c1Cc1c(C)onc1C(=O)Nc1ccccc1Oc1ccc(F)cc1 ZINC000019580993 558936626 /nfs/dbraw/zinc/93/66/26/558936626.db2.gz SXZGSFJGQBLVNU-UHFFFAOYSA-N 0 0 421.428 5.362 40 0 HKABRN COc1ccc(CN(Cc2c(C)oc3ccccc32)Cc2ccncc2)c(OC)c1 ZINC000019581943 558937133 /nfs/dbraw/zinc/93/71/33/558937133.db2.gz WCLNCNAPYUJXSV-UHFFFAOYSA-N 0 0 402.494 5.356 40 0 HKABRN CCOP(=O)(OCC)[C@@H](/C=C(\Cl)c1ccc(Cl)c(Cl)c1)N(C)C ZINC000019593825 558945134 /nfs/dbraw/zinc/94/51/34/558945134.db2.gz QSORDAJBLZRDQT-WVUXNXBLSA-N 0 0 400.670 5.727 40 0 HKABRN CCOP(=O)(OCC)[C@H](/C=C(\Cl)c1ccc(Cl)c(Cl)c1)N(C)C ZINC000019593827 558945181 /nfs/dbraw/zinc/94/51/81/558945181.db2.gz QSORDAJBLZRDQT-VSKPTYQZSA-N 0 0 400.670 5.727 40 0 HKABRN CC1=C(C(=O)OC(C)(C)C)C(CCc2ccccc2)C(C(=O)OC(C)(C)C)=C(C)N1 ZINC000019594064 558945152 /nfs/dbraw/zinc/94/51/52/558945152.db2.gz LTRMIMLEPPKFJW-UHFFFAOYSA-N 0 0 413.558 5.070 40 0 HKABRN Nc1c2c(-c3ccccc3)nn(-c3ccccc3)c2ncc1-c1nc2ccccc2[nH]1 ZINC000019594600 558945352 /nfs/dbraw/zinc/94/53/52/558945352.db2.gz FFKBQALDJKHREK-UHFFFAOYSA-N 0 0 402.461 5.213 40 0 HKABRN Cc1cc(Br)ccc1NC(=O)COc1ccc(C2SCCS2)cc1 ZINC000019599007 569345734 /nfs/dbraw/zinc/34/57/34/569345734.db2.gz BNOVJKMVCDCSGQ-UHFFFAOYSA-N 0 0 424.385 5.254 40 0 HKABRN Cc1cccc(CN(Cc2ccccc2)C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)n1 ZINC000019654749 558948011 /nfs/dbraw/zinc/94/80/11/558948011.db2.gz GAXXUIXHWKJBFM-UHFFFAOYSA-N 0 0 424.426 5.128 40 0 HKABRN COc1ccccc1-c1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1 ZINC000019654911 558948216 /nfs/dbraw/zinc/94/82/16/558948216.db2.gz MQNLVRFCMLUWOB-UHFFFAOYSA-N 0 0 405.469 5.188 40 0 HKABRN COc1ccc(C2(C(=O)Nc3ccc(-c4ccccc4OC)cc3)CCOCC2)cc1 ZINC000019655069 558948404 /nfs/dbraw/zinc/94/84/04/558948404.db2.gz DXNHGHDBXGYOIP-UHFFFAOYSA-N 0 0 417.505 5.058 40 0 HKABRN Cc1cccc(CN(Cc2ccccc2)C(=O)c2cc(-c3ccc(F)cc3)no2)n1 ZINC000019656089 558949280 /nfs/dbraw/zinc/94/92/80/558949280.db2.gz XWWFVPSCQLSGMZ-UHFFFAOYSA-N 0 0 401.441 5.027 40 0 HKABRN CCOc1ccccc1-c1ccccc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000019659982 558951256 /nfs/dbraw/zinc/95/12/56/558951256.db2.gz VINOOKMRQIKKBZ-UHFFFAOYSA-N 0 0 411.505 5.807 40 0 HKABRN COc1ccccc1-c1noc(CCC(=O)Nc2cc3cc(C)oc3c(Cl)c2)n1 ZINC000019660688 558951829 /nfs/dbraw/zinc/95/18/29/558951829.db2.gz GNDDCFFLENLGAY-UHFFFAOYSA-N 0 0 411.845 5.025 40 0 HKABRN Cc1cc(-c2cc(C)cc(C)c2NC(=O)c2cc(-c3ccccc3Cl)no2)n[nH]1 ZINC000019660869 526039726 /nfs/dbraw/zinc/03/97/26/526039726.db2.gz GXBGMHQRTUJUGW-UHFFFAOYSA-N 0 0 406.873 5.563 40 0 HKABRN Cc1cc(-c2cc(C)ccc2NC(=O)[C@@H](C)Oc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000019661615 558952679 /nfs/dbraw/zinc/95/26/79/558952679.db2.gz QWWWLLFWIONCGF-CQSZACIVSA-N 0 0 403.404 5.118 40 0 HKABRN Cc1cc(-c2cc(C)ccc2NC(=O)[C@H](C)Oc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000019661617 558952779 /nfs/dbraw/zinc/95/27/79/558952779.db2.gz QWWWLLFWIONCGF-AWEZNQCLSA-N 0 0 403.404 5.118 40 0 HKABRN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000019661933 558952980 /nfs/dbraw/zinc/95/29/80/558952980.db2.gz UQQWSJCUIPEPDP-GFCCVEGCSA-N 0 0 415.419 5.003 40 0 HKABRN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000019661935 558952873 /nfs/dbraw/zinc/95/28/73/558952873.db2.gz UQQWSJCUIPEPDP-LBPRGKRZSA-N 0 0 415.419 5.003 40 0 HKABRN O=C(Nc1ccccc1OCc1ccccn1)c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000019661942 558952987 /nfs/dbraw/zinc/95/29/87/558952987.db2.gz SMIQLLBNLYSVRQ-UHFFFAOYSA-N 0 0 416.868 5.023 40 0 HKABRN Cc1cc(C)cc(C2(C(=O)N[C@H](C)c3nc4ccccc4n3C(C)C)CCOCC2)c1 ZINC000019662006 558953024 /nfs/dbraw/zinc/95/30/24/558953024.db2.gz FJAVEGOHLWMPDH-HXUWFJFHSA-N 0 0 419.569 5.160 40 0 HKABRN Cc1cc(C)cc(C2(C(=O)N[C@@H](C)c3nc4ccccc4n3C(C)C)CCOCC2)c1 ZINC000019662008 558953067 /nfs/dbraw/zinc/95/30/67/558953067.db2.gz FJAVEGOHLWMPDH-FQEVSTJZSA-N 0 0 419.569 5.160 40 0 HKABRN COc1cccc2cc(C(=O)N(Cc3ccccc3)Cc3cccc(C)n3)c(C)nc21 ZINC000019664750 558955223 /nfs/dbraw/zinc/95/52/23/558955223.db2.gz YEMBJUXOUMJDGG-UHFFFAOYSA-N 0 0 411.505 5.098 40 0 HKABRN COc1ccc2cc(C(=O)N(Cc3ccccc3)Cc3cccc(C)n3)c(C)nc2c1 ZINC000019664786 558955219 /nfs/dbraw/zinc/95/52/19/558955219.db2.gz BFMKMKJFIDIXLH-UHFFFAOYSA-N 0 0 411.505 5.098 40 0 HKABRN COc1ccc(-c2ccccc2NC(=O)c2cc(-n3cccn3)ccc2Cl)cc1 ZINC000019665018 558955497 /nfs/dbraw/zinc/95/54/97/558955497.db2.gz ZUJBYJHSRDVJLJ-UHFFFAOYSA-N 0 0 403.869 5.454 40 0 HKABRN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)c(NCc2ccccn2)c1 ZINC000019665587 558955668 /nfs/dbraw/zinc/95/56/68/558955668.db2.gz MRNZVCDZIJPCNJ-UHFFFAOYSA-N 0 0 421.913 5.118 40 0 HKABRN Cc1nc(-c2ccccc2F)sc1C(=O)Nc1nnc(CCc2ccccc2)s1 ZINC000019666222 558956001 /nfs/dbraw/zinc/95/60/01/558956001.db2.gz UHCCBBLCIRAXSE-UHFFFAOYSA-N 0 0 424.526 5.147 40 0 HKABRN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C)c1nc(-c2cccc(C)c2)no1 ZINC000019666665 558956300 /nfs/dbraw/zinc/95/63/00/558956300.db2.gz HFHJWYWKWJRXOC-CYBMUJFWSA-N 0 0 422.872 5.153 40 0 HKABRN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)c1nc(-c2cccc(C)c2)no1 ZINC000019666668 558956404 /nfs/dbraw/zinc/95/64/04/558956404.db2.gz HFHJWYWKWJRXOC-ZDUSSCGKSA-N 0 0 422.872 5.153 40 0 HKABRN Cc1cccc(CN(Cc2ccccc2)C(=O)c2cc(-c3cccc(F)c3)no2)n1 ZINC000019666771 558956478 /nfs/dbraw/zinc/95/64/78/558956478.db2.gz ZGZHCNGPQUUSPM-UHFFFAOYSA-N 0 0 401.441 5.027 40 0 HKABRN COc1ccc(-c2csc(NC(=O)c3cc4cc(F)ccc4nc3C)n2)c(OC)c1 ZINC000019666857 558956463 /nfs/dbraw/zinc/95/64/63/558956463.db2.gz CXFFYTJMUPRQAX-UHFFFAOYSA-N 0 0 423.469 5.075 40 0 HKABRN Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)c3ccccn3)CC2)n1 ZINC000019687047 558957139 /nfs/dbraw/zinc/95/71/39/558957139.db2.gz HRLWQDGNIBJIIO-UHFFFAOYSA-N 0 0 405.929 5.049 40 0 HKABRN O=C(c1cccc2cccnc21)N1CCC[C@H]1c1ccc(Cc2ccccc2F)cn1 ZINC000019687898 558957343 /nfs/dbraw/zinc/95/73/43/558957343.db2.gz KLDBNDWGIOFUMC-DEOSSOPVSA-N 0 0 411.480 5.337 40 0 HKABRN O=C(c1cccc2cccnc21)N1CCC[C@@H]1c1ccc(Cc2ccccc2F)cn1 ZINC000019687900 558957266 /nfs/dbraw/zinc/95/72/66/558957266.db2.gz KLDBNDWGIOFUMC-XMMPIXPASA-N 0 0 411.480 5.337 40 0 HKABRN O=C(C1CCCC1)N1CCC[C@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 ZINC000019687906 558957557 /nfs/dbraw/zinc/95/75/57/558957557.db2.gz YSVGBHCKBXESME-NRFANRHFSA-N 0 0 402.460 5.545 40 0 HKABRN O=C(C1CCCC1)N1CCC[C@@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 ZINC000019687908 558957528 /nfs/dbraw/zinc/95/75/28/558957528.db2.gz YSVGBHCKBXESME-OAQYLSRUSA-N 0 0 402.460 5.545 40 0 HKABRN Cc1ccc(Cc2ccc([C@@H]3CCCN3C(=O)c3cccc4ncccc43)nc2)cc1 ZINC000019687923 558957551 /nfs/dbraw/zinc/95/75/51/558957551.db2.gz VMGAVINSARIBHA-SANMLTNESA-N 0 0 407.517 5.506 40 0 HKABRN Cc1ccc(Cc2ccc([C@H]3CCCN3C(=O)c3cccc4ncccc43)nc2)cc1 ZINC000019687924 558957543 /nfs/dbraw/zinc/95/75/43/558957543.db2.gz VMGAVINSARIBHA-AREMUKBSSA-N 0 0 407.517 5.506 40 0 HKABRN COc1ccccc1CCC(=O)N1CCC[C@@H]1c1ccc(Cc2ccc(F)cc2)cn1 ZINC000019687938 558957548 /nfs/dbraw/zinc/95/75/48/558957548.db2.gz ZJUXNNGUCPWEMH-XMMPIXPASA-N 0 0 418.512 5.116 40 0 HKABRN COc1ccccc1CCC(=O)N1CCC[C@H]1c1ccc(Cc2ccc(F)cc2)cn1 ZINC000019687941 558957590 /nfs/dbraw/zinc/95/75/90/558957590.db2.gz ZJUXNNGUCPWEMH-DEOSSOPVSA-N 0 0 418.512 5.116 40 0 HKABRN COc1ccc(CCC(=O)N2CCC[C@@H]2c2ccc(Cc3ccccc3F)cn2)cc1 ZINC000019687948 558957514 /nfs/dbraw/zinc/95/75/14/558957514.db2.gz RMSOIHVGLFXIHG-RUZDIDTESA-N 0 0 418.512 5.116 40 0 HKABRN COc1ccc(CCC(=O)N2CCC[C@H]2c2ccc(Cc3ccccc3F)cn2)cc1 ZINC000019687950 558957532 /nfs/dbraw/zinc/95/75/32/558957532.db2.gz RMSOIHVGLFXIHG-VWLOTQADSA-N 0 0 418.512 5.116 40 0 HKABRN COc1ccc(CCC(=O)N2CCC[C@@H](c3ccc(Cc4ccccc4)cn3)C2)cc1 ZINC000019688157 560875093 /nfs/dbraw/zinc/87/50/93/560875093.db2.gz FVVKDJHGOULCBB-XMMPIXPASA-N 0 0 414.549 5.020 40 0 HKABRN COc1ccc(CCC(=O)N2CCC[C@H](c3ccc(Cc4ccccc4)cn3)C2)cc1 ZINC000019688159 569428453 /nfs/dbraw/zinc/42/84/53/569428453.db2.gz FVVKDJHGOULCBB-DEOSSOPVSA-N 0 0 414.549 5.020 40 0 HKABRN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN2C(=O)CC2CCCC2)n1 ZINC000019689411 558958885 /nfs/dbraw/zinc/95/88/85/558958885.db2.gz QJVUXIVIPSBGLK-FQEVSTJZSA-N 0 0 412.965 5.107 40 0 HKABRN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1 ZINC000019689413 558958831 /nfs/dbraw/zinc/95/88/31/558958831.db2.gz QJVUXIVIPSBGLK-HXUWFJFHSA-N 0 0 412.965 5.107 40 0 HKABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)CC2CCCC2)n1 ZINC000019689415 558958883 /nfs/dbraw/zinc/95/88/83/558958883.db2.gz HDAKQVYTWALMEW-FQEVSTJZSA-N 0 0 412.965 5.107 40 0 HKABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1 ZINC000019689417 558958871 /nfs/dbraw/zinc/95/88/71/558958871.db2.gz HDAKQVYTWALMEW-HXUWFJFHSA-N 0 0 412.965 5.107 40 0 HKABRN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN2C(=O)C2CCCCC2)n1 ZINC000019689611 558959203 /nfs/dbraw/zinc/95/92/03/558959203.db2.gz GRWNJORHMMUFBI-FQEVSTJZSA-N 0 0 412.965 5.107 40 0 HKABRN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2C(=O)C2CCCCC2)n1 ZINC000019689613 558959193 /nfs/dbraw/zinc/95/91/93/558959193.db2.gz GRWNJORHMMUFBI-HXUWFJFHSA-N 0 0 412.965 5.107 40 0 HKABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)C2CCCCC2)n1 ZINC000019689615 558959178 /nfs/dbraw/zinc/95/91/78/558959178.db2.gz OZEPHWKSCMUSPX-FQEVSTJZSA-N 0 0 412.965 5.107 40 0 HKABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)C2CCCCC2)n1 ZINC000019689617 558959179 /nfs/dbraw/zinc/95/91/79/558959179.db2.gz OZEPHWKSCMUSPX-HXUWFJFHSA-N 0 0 412.965 5.107 40 0 HKABRN Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H](c2ccc(Cc3cccc(C)c3)cn2)C1 ZINC000019690367 558959832 /nfs/dbraw/zinc/95/98/32/558959832.db2.gz KJQREPDUBXLRGJ-JOCHJYFZSA-N 0 0 417.553 5.420 40 0 HKABRN Cc1onc(C(C)C)c1C(=O)N1CCC[C@H](c2ccc(Cc3cccc(C)c3)cn2)C1 ZINC000019690368 558959802 /nfs/dbraw/zinc/95/98/02/558959802.db2.gz KJQREPDUBXLRGJ-QFIPXVFZSA-N 0 0 417.553 5.420 40 0 HKABRN Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCCCC3)n1 ZINC000019690548 569345844 /nfs/dbraw/zinc/34/58/44/569345844.db2.gz LWVNOKAPDLBJFH-QHCPKHFHSA-N 0 0 400.526 5.026 40 0 HKABRN Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)c2n[nH]c3c2CCCCC3)n1 ZINC000019690550 569345859 /nfs/dbraw/zinc/34/58/59/569345859.db2.gz LWVNOKAPDLBJFH-HSZRJFAPSA-N 0 0 400.526 5.026 40 0 HKABRN COc1ccc(CC(=O)N2CCC[C@@H]2c2cc(-c3ccccc3)cc(C)n2)cc1F ZINC000019690556 569345871 /nfs/dbraw/zinc/34/58/71/569345871.db2.gz PDCWDUGNKCFLJX-HSZRJFAPSA-N 0 0 404.485 5.111 40 0 HKABRN COc1ccc(CC(=O)N2CCC[C@H]2c2cc(-c3ccccc3)cc(C)n2)cc1F ZINC000019690557 569345852 /nfs/dbraw/zinc/34/58/52/569345852.db2.gz PDCWDUGNKCFLJX-QHCPKHFHSA-N 0 0 404.485 5.111 40 0 HKABRN COc1ccc(C)cc1CC(=O)N1CCC[C@@H]1c1cc(-c2ccccc2)cc(C)n1 ZINC000019690560 569345842 /nfs/dbraw/zinc/34/58/42/569345842.db2.gz ZQZJKWJDIOMNLT-XMMPIXPASA-N 0 0 400.522 5.280 40 0 HKABRN COc1ccc(C)cc1CC(=O)N1CCC[C@H]1c1cc(-c2ccccc2)cc(C)n1 ZINC000019690563 569345840 /nfs/dbraw/zinc/34/58/40/569345840.db2.gz ZQZJKWJDIOMNLT-DEOSSOPVSA-N 0 0 400.522 5.280 40 0 HKABRN CCOCc1ccc(C(=O)N2CCC[C@@H]2c2cc(-c3ccccc3)cc(C)n2)cc1 ZINC000019690565 569345868 /nfs/dbraw/zinc/34/58/68/569345868.db2.gz DGECKFDOYHAMLF-RUZDIDTESA-N 0 0 400.522 5.571 40 0 HKABRN CCOCc1ccc(C(=O)N2CCC[C@H]2c2cc(-c3ccccc3)cc(C)n2)cc1 ZINC000019690566 569345875 /nfs/dbraw/zinc/34/58/75/569345875.db2.gz DGECKFDOYHAMLF-VWLOTQADSA-N 0 0 400.522 5.571 40 0 HKABRN Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1 ZINC000019690568 569345869 /nfs/dbraw/zinc/34/58/69/569345869.db2.gz YONAUNUDYUFGOF-SANMLTNESA-N 0 0 409.533 5.835 40 0 HKABRN Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1 ZINC000019690570 569345873 /nfs/dbraw/zinc/34/58/73/569345873.db2.gz YONAUNUDYUFGOF-AREMUKBSSA-N 0 0 409.533 5.835 40 0 HKABRN CCOC(=O)C1=C(C)NC(C)=C2C(=O)Oc3c(Cl)cc(C4CCCCC4)cc3[C@H]12 ZINC000019690609 558959991 /nfs/dbraw/zinc/95/99/91/558959991.db2.gz NNXGOTXFFHSZFH-HXUWFJFHSA-N 0 0 415.917 5.105 40 0 HKABRN CCOC(=O)C1=C(C)NC(C)=C2C(=O)Oc3c(Cl)cc(C4CCCCC4)cc3[C@@H]12 ZINC000019690611 558960022 /nfs/dbraw/zinc/96/00/22/558960022.db2.gz NNXGOTXFFHSZFH-FQEVSTJZSA-N 0 0 415.917 5.105 40 0 HKABRN CCCc1cc(C(=O)N2CCC(c3cc(-c4cccc(OC)c4)cc(C)n3)CC2)no1 ZINC000019690626 569345862 /nfs/dbraw/zinc/34/58/62/569345862.db2.gz PWNPRJYSCKBXIK-UHFFFAOYSA-N 0 0 419.525 5.026 40 0 HKABRN COc1cccc(C(=O)N2CCC(c3cc(-c4cccc(OC)c4)cc(C)n3)CC2)c1 ZINC000019690641 569345883 /nfs/dbraw/zinc/34/58/83/569345883.db2.gz ICCLBXOJWOPKSU-UHFFFAOYSA-N 0 0 416.521 5.094 40 0 HKABRN CCOc1ccc(CC(=O)N2CCC[C@@H]2c2cc(-c3ccccc3)cc(C)n2)cc1 ZINC000019690684 569345865 /nfs/dbraw/zinc/34/58/65/569345865.db2.gz LKBBMUBFSZKXDL-RUZDIDTESA-N 0 0 400.522 5.362 40 0 HKABRN CCOc1ccc(CC(=O)N2CCC[C@H]2c2cc(-c3ccccc3)cc(C)n2)cc1 ZINC000019690685 569345870 /nfs/dbraw/zinc/34/58/70/569345870.db2.gz LKBBMUBFSZKXDL-VWLOTQADSA-N 0 0 400.522 5.362 40 0 HKABRN COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3cc4ccccc4o3)c2)cc1 ZINC000019690686 569345843 /nfs/dbraw/zinc/34/58/43/569345843.db2.gz COMDKDUNSIEVNV-QHCPKHFHSA-N 0 0 412.489 5.789 40 0 HKABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3cc4ccccc4o3)c2)cc1 ZINC000019690687 569345853 /nfs/dbraw/zinc/34/58/53/569345853.db2.gz COMDKDUNSIEVNV-HSZRJFAPSA-N 0 0 412.489 5.789 40 0 HKABRN COc1ccc(C(=O)N2CCC[C@@H]2c2cc(-c3ccccc3)cc(C)n2)c(OC)c1 ZINC000019690739 569345856 /nfs/dbraw/zinc/34/58/56/569345856.db2.gz UDUKFXCYBVYFMS-HSZRJFAPSA-N 0 0 402.494 5.052 40 0 HKABRN COc1ccc(C(=O)N2CCC[C@H]2c2cc(-c3ccccc3)cc(C)n2)c(OC)c1 ZINC000019690740 569345880 /nfs/dbraw/zinc/34/58/80/569345880.db2.gz UDUKFXCYBVYFMS-QHCPKHFHSA-N 0 0 402.494 5.052 40 0 HKABRN COc1cccc(C(=O)N2CCC[C@@H]2c2cc(-c3ccccc3)cc(C)n2)c1OC ZINC000019690758 569345845 /nfs/dbraw/zinc/34/58/45/569345845.db2.gz CSVXFPJKXQHJSJ-JOCHJYFZSA-N 0 0 402.494 5.052 40 0 HKABRN COc1cccc(C(=O)N2CCC[C@H]2c2cc(-c3ccccc3)cc(C)n2)c1OC ZINC000019690760 569345886 /nfs/dbraw/zinc/34/58/86/569345886.db2.gz CSVXFPJKXQHJSJ-QFIPXVFZSA-N 0 0 402.494 5.052 40 0 HKABRN COc1ccc(OC)c(C(=O)N2CCC[C@@H]2c2cc(-c3ccccc3)cc(C)n2)c1 ZINC000019690774 569345854 /nfs/dbraw/zinc/34/58/54/569345854.db2.gz KYXBKXBECVCJCG-HSZRJFAPSA-N 0 0 402.494 5.052 40 0 HKABRN COc1ccc(OC)c(C(=O)N2CCC[C@H]2c2cc(-c3ccccc3)cc(C)n2)c1 ZINC000019690775 569345872 /nfs/dbraw/zinc/34/58/72/569345872.db2.gz KYXBKXBECVCJCG-QHCPKHFHSA-N 0 0 402.494 5.052 40 0 HKABRN Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN3C(=O)c3nccc4ccccc43)c2)c1 ZINC000019690857 558960334 /nfs/dbraw/zinc/96/03/34/558960334.db2.gz RUDLGLVASYGOBU-SANMLTNESA-N 0 0 421.544 5.815 40 0 HKABRN Cc1cccc(Cc2cc(C)nc([C@H]3CCCN3C(=O)c3nccc4ccccc43)c2)c1 ZINC000019690859 558960306 /nfs/dbraw/zinc/96/03/06/558960306.db2.gz RUDLGLVASYGOBU-AREMUKBSSA-N 0 0 421.544 5.815 40 0 HKABRN Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN2C(=O)c2nccc3ccccc32)n1 ZINC000019690896 558960303 /nfs/dbraw/zinc/96/03/03/558960303.db2.gz LVKXXWUZXOUCPZ-SANMLTNESA-N 0 0 421.544 5.815 40 0 HKABRN Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN2C(=O)c2nccc3ccccc32)n1 ZINC000019690897 558960338 /nfs/dbraw/zinc/96/03/38/558960338.db2.gz LVKXXWUZXOUCPZ-AREMUKBSSA-N 0 0 421.544 5.815 40 0 HKABRN COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3nccc4ccccc43)c2)cc1 ZINC000019690989 569345860 /nfs/dbraw/zinc/34/58/60/569345860.db2.gz NBELJVMXDLTSTL-VWLOTQADSA-N 0 0 423.516 5.591 40 0 HKABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3nccc4ccccc43)c2)cc1 ZINC000019690990 569345878 /nfs/dbraw/zinc/34/58/78/569345878.db2.gz NBELJVMXDLTSTL-RUZDIDTESA-N 0 0 423.516 5.591 40 0 HKABRN CCCOc1c(Cl)cc([C@@H]2CC(=O)Nc3c4ccccc4ccc32)cc1OCC ZINC000019691014 560885501 /nfs/dbraw/zinc/88/55/01/560885501.db2.gz GLNKFHNNDGHJCC-IBGZPJMESA-N 0 0 409.913 6.155 40 0 HKABRN CCCOc1c(Cl)cc([C@H]2CC(=O)Nc3c4ccccc4ccc32)cc1OCC ZINC000019691016 560885506 /nfs/dbraw/zinc/88/55/06/560885506.db2.gz GLNKFHNNDGHJCC-LJQANCHMSA-N 0 0 409.913 6.155 40 0 HKABRN Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 ZINC000019691105 569345929 /nfs/dbraw/zinc/34/59/29/569345929.db2.gz FCIKAVXKQNZBBH-UHFFFAOYSA-N 0 0 409.533 5.487 40 0 HKABRN COc1ccc(CC(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)cc1 ZINC000019691111 569345931 /nfs/dbraw/zinc/34/59/31/569345931.db2.gz XCODNZBYCPJCHH-UHFFFAOYSA-N 0 0 400.522 5.014 40 0 HKABRN COc1ccccc1CC(=O)N1CCC(c2cc(-c3ccccc3)cc(C)n2)CC1 ZINC000019691113 569345904 /nfs/dbraw/zinc/34/59/04/569345904.db2.gz AQHZXOUETPJEOY-UHFFFAOYSA-N 0 0 400.522 5.014 40 0 HKABRN COc1cccc(CC(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)c1 ZINC000019691114 569345903 /nfs/dbraw/zinc/34/59/03/569345903.db2.gz XUHRFPSXFNNPKP-UHFFFAOYSA-N 0 0 400.522 5.014 40 0 HKABRN COc1ccc(C(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)c(OC)c1 ZINC000019691116 569345895 /nfs/dbraw/zinc/34/58/95/569345895.db2.gz XGYZKVRRQGWTEN-UHFFFAOYSA-N 0 0 416.521 5.094 40 0 HKABRN COc1cccc(C(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)c1OC ZINC000019691126 569345923 /nfs/dbraw/zinc/34/59/23/569345923.db2.gz IITDBASTJCOQJK-UHFFFAOYSA-N 0 0 416.521 5.094 40 0 HKABRN COc1ccc(OC)c(C(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)c1 ZINC000019691134 569345942 /nfs/dbraw/zinc/34/59/42/569345942.db2.gz JVDLITWKQXDOEN-UHFFFAOYSA-N 0 0 416.521 5.094 40 0 HKABRN Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)n1 ZINC000019691150 569345935 /nfs/dbraw/zinc/34/59/35/569345935.db2.gz OVGUXBSEFQFIFQ-UHFFFAOYSA-N 0 0 406.505 5.062 40 0 HKABRN COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4ccccc4OC)CC3)c2)cc1 ZINC000019691163 569345896 /nfs/dbraw/zinc/34/58/96/569345896.db2.gz AITFMIFSBHWVOP-UHFFFAOYSA-N 0 0 416.521 5.094 40 0 HKABRN COc1ccccc1C(=O)N1CCC(c2cc(-c3ccc(F)cc3)cc(C)n2)CC1 ZINC000019691171 569345899 /nfs/dbraw/zinc/34/58/99/569345899.db2.gz YVUNXJYDXPEMOH-UHFFFAOYSA-N 0 0 404.485 5.225 40 0 HKABRN COc1cccc(C(=O)N2CCC(c3cc(-c4ccc(F)cc4)cc(C)n3)CC2)c1 ZINC000019691178 569345891 /nfs/dbraw/zinc/34/58/91/569345891.db2.gz BWMVOUJXVRZINO-UHFFFAOYSA-N 0 0 404.485 5.225 40 0 HKABRN COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4cccc(OC)c4)CC3)c2)cc1 ZINC000019691190 569345925 /nfs/dbraw/zinc/34/59/25/569345925.db2.gz UIJUEHIVHJTAEQ-UHFFFAOYSA-N 0 0 416.521 5.094 40 0 HKABRN Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)c2nc3cc(F)ccc3[nH]2)n1 ZINC000019691237 569345914 /nfs/dbraw/zinc/34/59/14/569345914.db2.gz FLZUVNNPRQOCCZ-QFIPXVFZSA-N 0 0 418.447 5.189 40 0 HKABRN Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)c2nc3cc(F)ccc3[nH]2)n1 ZINC000019691238 569345900 /nfs/dbraw/zinc/34/59/00/569345900.db2.gz FLZUVNNPRQOCCZ-JOCHJYFZSA-N 0 0 418.447 5.189 40 0 HKABRN COc1ccc(CC(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1F ZINC000019691243 569345909 /nfs/dbraw/zinc/34/59/09/569345909.db2.gz AVOROWXHCHRAPG-HSZRJFAPSA-N 0 0 422.475 5.250 40 0 HKABRN COc1ccc(CC(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1F ZINC000019691245 569345908 /nfs/dbraw/zinc/34/59/08/569345908.db2.gz AVOROWXHCHRAPG-QHCPKHFHSA-N 0 0 422.475 5.250 40 0 HKABRN CCOCc1ccc(C(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1 ZINC000019691255 569345907 /nfs/dbraw/zinc/34/59/07/569345907.db2.gz JNOPGMMHBUBGAV-RUZDIDTESA-N 0 0 418.512 5.710 40 0 HKABRN CCOCc1ccc(C(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1 ZINC000019691256 569345916 /nfs/dbraw/zinc/34/59/16/569345916.db2.gz JNOPGMMHBUBGAV-VWLOTQADSA-N 0 0 418.512 5.710 40 0 HKABRN Cc1ccn2cc(C(=O)N3CCC[C@@H]3c3cc(-c4ccc(F)cc4)cc(C)n3)nc2c1 ZINC000019691258 569345924 /nfs/dbraw/zinc/34/59/24/569345924.db2.gz STXLWPNHEKLRHU-HSZRJFAPSA-N 0 0 414.484 5.130 40 0 HKABRN Cc1ccn2cc(C(=O)N3CCC[C@H]3c3cc(-c4ccc(F)cc4)cc(C)n3)nc2c1 ZINC000019691260 569345917 /nfs/dbraw/zinc/34/59/17/569345917.db2.gz STXLWPNHEKLRHU-QHCPKHFHSA-N 0 0 414.484 5.130 40 0 HKABRN Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCCCC3)n1 ZINC000019691291 569345890 /nfs/dbraw/zinc/34/58/90/569345890.db2.gz DDSHIZVCLFFQGW-QHCPKHFHSA-N 0 0 418.516 5.165 40 0 HKABRN Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)c2n[nH]c3c2CCCCC3)n1 ZINC000019691293 569345911 /nfs/dbraw/zinc/34/59/11/569345911.db2.gz DDSHIZVCLFFQGW-HSZRJFAPSA-N 0 0 418.516 5.165 40 0 HKABRN CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1 ZINC000019691295 569345892 /nfs/dbraw/zinc/34/58/92/569345892.db2.gz QDUMSAQYGFIGDK-XMMPIXPASA-N 0 0 417.484 5.132 40 0 HKABRN CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1 ZINC000019691297 569345894 /nfs/dbraw/zinc/34/58/94/569345894.db2.gz QDUMSAQYGFIGDK-DEOSSOPVSA-N 0 0 417.484 5.132 40 0 HKABRN Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)c2cc(C(C)(C)C)nn2C)n1 ZINC000019691310 569345944 /nfs/dbraw/zinc/34/59/44/569345944.db2.gz XTFICUSWWGXFNZ-NRFANRHFSA-N 0 0 420.532 5.204 40 0 HKABRN Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)c2cc(C(C)(C)C)nn2C)n1 ZINC000019691311 569345940 /nfs/dbraw/zinc/34/59/40/569345940.db2.gz XTFICUSWWGXFNZ-OAQYLSRUSA-N 0 0 420.532 5.204 40 0 HKABRN COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)Cc3cccc(F)c3)c2)cc1 ZINC000019691328 569345955 /nfs/dbraw/zinc/34/59/55/569345955.db2.gz SPCDWJGVBLSIGL-DEOSSOPVSA-N 0 0 404.485 5.111 40 0 HKABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)Cc3cccc(F)c3)c2)cc1 ZINC000019691329 569345956 /nfs/dbraw/zinc/34/59/56/569345956.db2.gz SPCDWJGVBLSIGL-XMMPIXPASA-N 0 0 404.485 5.111 40 0 HKABRN COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)[C@@H](C)c3ccccc3)c2)cc1 ZINC000019691334 569345951 /nfs/dbraw/zinc/34/59/51/569345951.db2.gz BWPVRGDUYUQBKB-DFBJGRDBSA-N 0 0 400.522 5.533 40 0 HKABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)[C@@H](C)c3ccccc3)c2)cc1 ZINC000019691335 569345950 /nfs/dbraw/zinc/34/59/50/569345950.db2.gz BWPVRGDUYUQBKB-UQBPGWFLSA-N 0 0 400.522 5.533 40 0 HKABRN COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)[C@H](C)c3ccccc3)c2)cc1 ZINC000019691337 569345985 /nfs/dbraw/zinc/34/59/85/569345985.db2.gz BWPVRGDUYUQBKB-CLOONOSVSA-N 0 0 400.522 5.533 40 0 HKABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)[C@H](C)c3ccccc3)c2)cc1 ZINC000019691339 569345960 /nfs/dbraw/zinc/34/59/60/569345960.db2.gz BWPVRGDUYUQBKB-KBMIEXCESA-N 0 0 400.522 5.533 40 0 HKABRN COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3)c2)cc1 ZINC000019691340 569345963 /nfs/dbraw/zinc/34/59/63/569345963.db2.gz SBQZIDOTSLOJHX-DEOSSOPVSA-N 0 0 404.485 5.111 40 0 HKABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)c2)cc1 ZINC000019691341 569345949 /nfs/dbraw/zinc/34/59/49/569345949.db2.gz SBQZIDOTSLOJHX-XMMPIXPASA-N 0 0 404.485 5.111 40 0 HKABRN COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)Cc3ccccc3F)c2)cc1 ZINC000019691342 569345991 /nfs/dbraw/zinc/34/59/91/569345991.db2.gz SGGGKNDSZTWAEQ-DEOSSOPVSA-N 0 0 404.485 5.111 40 0 HKABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)Cc3ccccc3F)c2)cc1 ZINC000019691344 569345994 /nfs/dbraw/zinc/34/59/94/569345994.db2.gz SGGGKNDSZTWAEQ-XMMPIXPASA-N 0 0 404.485 5.111 40 0 HKABRN COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3ccccc3OC)c2)cc1 ZINC000019691386 569345982 /nfs/dbraw/zinc/34/59/82/569345982.db2.gz IEBKWUOOSIUSLB-QHCPKHFHSA-N 0 0 402.494 5.052 40 0 HKABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3ccccc3OC)c2)cc1 ZINC000019691387 569345971 /nfs/dbraw/zinc/34/59/71/569345971.db2.gz IEBKWUOOSIUSLB-HSZRJFAPSA-N 0 0 402.494 5.052 40 0 HKABRN COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3cccc(OC)c3)c2)cc1 ZINC000019691396 569345992 /nfs/dbraw/zinc/34/59/92/569345992.db2.gz HYSCCAGOGYEDKL-DEOSSOPVSA-N 0 0 402.494 5.052 40 0 HKABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3cccc(OC)c3)c2)cc1 ZINC000019691398 569345993 /nfs/dbraw/zinc/34/59/93/569345993.db2.gz HYSCCAGOGYEDKL-XMMPIXPASA-N 0 0 402.494 5.052 40 0 HKABRN Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)c2nccc3ccccc32)n1 ZINC000019691406 569345958 /nfs/dbraw/zinc/34/59/58/569345958.db2.gz CSZQHPBOAPODJJ-DEOSSOPVSA-N 0 0 411.480 5.722 40 0 HKABRN Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)c2nccc3ccccc32)n1 ZINC000019691407 569345961 /nfs/dbraw/zinc/34/59/61/569345961.db2.gz CSZQHPBOAPODJJ-XMMPIXPASA-N 0 0 411.480 5.722 40 0 HKABRN Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)c3nc4cc(F)ccc4[nH]3)CC2)n1 ZINC000019691410 569345972 /nfs/dbraw/zinc/34/59/72/569345972.db2.gz QCTODLFBZMZTDV-UHFFFAOYSA-N 0 0 414.484 5.092 40 0 HKABRN CCOCc1ccc(C(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)cc1 ZINC000019691415 569345975 /nfs/dbraw/zinc/34/59/75/569345975.db2.gz WSFGKGNNKZHRHU-UHFFFAOYSA-N 0 0 414.549 5.613 40 0 HKABRN Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)n1 ZINC000019691428 569345983 /nfs/dbraw/zinc/34/59/83/569345983.db2.gz GPHFZMJUAHLDDH-UHFFFAOYSA-N 0 0 424.548 5.272 40 0 HKABRN Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)c3n[nH]c4c3CCCCC4)CC2)n1 ZINC000019691429 569345977 /nfs/dbraw/zinc/34/59/77/569345977.db2.gz PYQONVOPVOCYCF-UHFFFAOYSA-N 0 0 414.553 5.069 40 0 HKABRN CC(=O)Nc1ccc(C(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)cc1 ZINC000019691430 569345979 /nfs/dbraw/zinc/34/59/79/569345979.db2.gz JSFROIXREDGDJU-UHFFFAOYSA-N 0 0 413.521 5.035 40 0 HKABRN Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)c3cc(C(C)(C)C)nn3C)CC2)n1 ZINC000019691435 569345996 /nfs/dbraw/zinc/34/59/96/569345996.db2.gz HARNWJVTHDRPTQ-UHFFFAOYSA-N 0 0 416.569 5.108 40 0 HKABRN Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 ZINC000019691455 569345967 /nfs/dbraw/zinc/34/59/67/569345967.db2.gz RUNWVTXAYSMPQB-VWLOTQADSA-N 0 0 413.496 5.584 40 0 HKABRN Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 ZINC000019691456 569345981 /nfs/dbraw/zinc/34/59/81/569345981.db2.gz RUNWVTXAYSMPQB-RUZDIDTESA-N 0 0 413.496 5.584 40 0 HKABRN COc1ccc(CC(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1 ZINC000019691463 569345989 /nfs/dbraw/zinc/34/59/89/569345989.db2.gz QGIKAUUIVCSMFY-XMMPIXPASA-N 0 0 404.485 5.111 40 0 HKABRN COc1ccc(CC(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1 ZINC000019691465 569345969 /nfs/dbraw/zinc/34/59/69/569345969.db2.gz QGIKAUUIVCSMFY-DEOSSOPVSA-N 0 0 404.485 5.111 40 0 HKABRN COc1ccccc1CC(=O)N1CCC[C@@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 ZINC000019691475 569345988 /nfs/dbraw/zinc/34/59/88/569345988.db2.gz APBPFTXHDFXMEJ-HSZRJFAPSA-N 0 0 404.485 5.111 40 0 HKABRN COc1ccccc1CC(=O)N1CCC[C@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 ZINC000019691477 569345964 /nfs/dbraw/zinc/34/59/64/569345964.db2.gz APBPFTXHDFXMEJ-QHCPKHFHSA-N 0 0 404.485 5.111 40 0 HKABRN COc1cccc(CC(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c1 ZINC000019691479 569345962 /nfs/dbraw/zinc/34/59/62/569345962.db2.gz YWGIKBMJMZHPFG-XMMPIXPASA-N 0 0 404.485 5.111 40 0 HKABRN COc1cccc(CC(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c1 ZINC000019691481 569346024 /nfs/dbraw/zinc/34/60/24/569346024.db2.gz YWGIKBMJMZHPFG-DEOSSOPVSA-N 0 0 404.485 5.111 40 0 HKABRN COc1ccc(C(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c(OC)c1 ZINC000019691483 569346038 /nfs/dbraw/zinc/34/60/38/569346038.db2.gz WFMGWYZXSIRAAM-HSZRJFAPSA-N 0 0 420.484 5.191 40 0 HKABRN COc1ccc(C(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c(OC)c1 ZINC000019691485 569346007 /nfs/dbraw/zinc/34/60/07/569346007.db2.gz WFMGWYZXSIRAAM-QHCPKHFHSA-N 0 0 420.484 5.191 40 0 HKABRN COc1ccc(CC(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)cc1F ZINC000019691487 569346013 /nfs/dbraw/zinc/34/60/13/569346013.db2.gz AJHJGKXUOANGSY-UHFFFAOYSA-N 0 0 418.512 5.153 40 0 HKABRN COc1cccc(C(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c1OC ZINC000019691501 569346017 /nfs/dbraw/zinc/34/60/17/569346017.db2.gz NBYDCOTWIJJCQW-JOCHJYFZSA-N 0 0 420.484 5.191 40 0 HKABRN COc1cccc(C(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c1OC ZINC000019691503 569346023 /nfs/dbraw/zinc/34/60/23/569346023.db2.gz NBYDCOTWIJJCQW-QFIPXVFZSA-N 0 0 420.484 5.191 40 0 HKABRN COc1ccc(OC)c(C(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c1 ZINC000019691521 569346030 /nfs/dbraw/zinc/34/60/30/569346030.db2.gz OSUXZQNUXMFPQK-HSZRJFAPSA-N 0 0 420.484 5.191 40 0 HKABRN COc1ccc(OC)c(C(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c1 ZINC000019691523 569345997 /nfs/dbraw/zinc/34/59/97/569345997.db2.gz OSUXZQNUXMFPQK-QHCPKHFHSA-N 0 0 420.484 5.191 40 0 HKABRN COc1cccc(Cc2cc(C)nc(C3CCN(C(=O)c4ccccc4)CC3)c2)c1 ZINC000019691542 558960839 /nfs/dbraw/zinc/96/08/39/558960839.db2.gz PCDXESGBIYMKJP-UHFFFAOYSA-N 0 0 400.522 5.009 40 0 HKABRN Cc1cc(Cc2ccccc2Cl)cc(C2CCN(C(=O)c3ccccn3)CC2)n1 ZINC000019691631 558960753 /nfs/dbraw/zinc/96/07/53/558960753.db2.gz KOYXIPUFHBRGPN-UHFFFAOYSA-N 0 0 405.929 5.049 40 0 HKABRN Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CCN(C(=O)C(C)C)CC2)n1 ZINC000019691646 558960779 /nfs/dbraw/zinc/96/07/79/558960779.db2.gz HLYPMQCANFNKTG-UHFFFAOYSA-N 0 0 404.476 5.362 40 0 HKABRN COc1cccc(C(=O)N2CCC(c3cc(Cc4ccc(F)cc4)cc(C)n3)CC2)c1 ZINC000019691652 558961026 /nfs/dbraw/zinc/96/10/26/558961026.db2.gz KZOLMZWSBSMVKJ-UHFFFAOYSA-N 0 0 418.512 5.148 40 0 HKABRN COc1cccc(C(=O)N2CCC(c3cc(Cc4ccccc4F)cc(C)n3)CC2)c1 ZINC000019691654 558961069 /nfs/dbraw/zinc/96/10/69/558961069.db2.gz AGYLDJAVIWGEME-UHFFFAOYSA-N 0 0 418.512 5.148 40 0 HKABRN Cc1cc(Cc2ccccc2)cc(C2CCN(C(=O)c3cccc4ncccc43)CC2)n1 ZINC000019691670 558960969 /nfs/dbraw/zinc/96/09/69/558960969.db2.gz NDKVLNBRPJLFDP-UHFFFAOYSA-N 0 0 421.544 5.549 40 0 HKABRN COc1ccccc1Cc1cc(C)nc(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)c1 ZINC000019691876 558961236 /nfs/dbraw/zinc/96/12/36/558961236.db2.gz ZCIZDAWAIMIVCZ-FQEVSTJZSA-N 0 0 404.554 5.052 40 0 HKABRN COc1ccccc1Cc1cc(C)nc(C2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1 ZINC000019691877 558961144 /nfs/dbraw/zinc/96/11/44/558961144.db2.gz ZCIZDAWAIMIVCZ-HXUWFJFHSA-N 0 0 404.554 5.052 40 0 HKABRN Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CCN(Cc3ncc[nH]3)CC2)n1 ZINC000019691884 558961175 /nfs/dbraw/zinc/96/11/75/558961175.db2.gz ZQVCDIKNZVFFNV-UHFFFAOYSA-N 0 0 414.475 5.102 40 0 HKABRN Cc1cc(Cc2c(F)cccc2F)cc(C2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000019691894 558961229 /nfs/dbraw/zinc/96/12/29/558961229.db2.gz NMZKBWFVKVCRNR-UHFFFAOYSA-N 0 0 406.476 5.279 40 0 HKABRN Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN3C(=O)c3cn4cccc(C)c4n3)c2)c1 ZINC000019691941 558961388 /nfs/dbraw/zinc/96/13/88/558961388.db2.gz HCKJPXXSVQNTPZ-VWLOTQADSA-N 0 0 424.548 5.223 40 0 HKABRN Cc1cccc(Cc2cc(C)nc([C@H]3CCCN3C(=O)c3cn4cccc(C)c4n3)c2)c1 ZINC000019691942 558961397 /nfs/dbraw/zinc/96/13/97/558961397.db2.gz HCKJPXXSVQNTPZ-RUZDIDTESA-N 0 0 424.548 5.223 40 0 HKABRN Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@@H]2CCCN2Cc2ccnn2C)n1 ZINC000019691984 558961471 /nfs/dbraw/zinc/96/14/71/558961471.db2.gz SGNQONKIVVCZBX-QFIPXVFZSA-N 0 0 414.475 5.070 40 0 HKABRN Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@H]2CCCN2Cc2ccnn2C)n1 ZINC000019691985 558961352 /nfs/dbraw/zinc/96/13/52/558961352.db2.gz SGNQONKIVVCZBX-JOCHJYFZSA-N 0 0 414.475 5.070 40 0 HKABRN COCc1ccc(C(=O)N2CCC[C@@H]2c2cc(Cc3ccccc3C)cc(C)n2)cc1 ZINC000019692007 558961645 /nfs/dbraw/zinc/96/16/45/558961645.db2.gz VJYBIHBKUBXSFF-AREMUKBSSA-N 0 0 414.549 5.413 40 0 HKABRN COCc1ccc(C(=O)N2CCC[C@H]2c2cc(Cc3ccccc3C)cc(C)n2)cc1 ZINC000019692008 558961654 /nfs/dbraw/zinc/96/16/54/558961654.db2.gz VJYBIHBKUBXSFF-SANMLTNESA-N 0 0 414.549 5.413 40 0 HKABRN Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@@H]2CCCN2Cc2ncc[nH]2)n1 ZINC000019692054 558961732 /nfs/dbraw/zinc/96/17/32/558961732.db2.gz HYLRFEWIQODEDM-FQEVSTJZSA-N 0 0 400.448 5.060 40 0 HKABRN Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@H]2CCCN2Cc2ncc[nH]2)n1 ZINC000019692055 558961680 /nfs/dbraw/zinc/96/16/80/558961680.db2.gz HYLRFEWIQODEDM-HXUWFJFHSA-N 0 0 400.448 5.060 40 0 HKABRN CNc1nc(C)c(C(=O)N2CCC[C@@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)s1 ZINC000019692056 558961719 /nfs/dbraw/zinc/96/17/19/558961719.db2.gz OVQDWVUXYNNQRR-OAQYLSRUSA-N 0 0 420.582 5.073 40 0 HKABRN CNc1nc(C)c(C(=O)N2CCC[C@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)s1 ZINC000019692057 558961722 /nfs/dbraw/zinc/96/17/22/558961722.db2.gz OVQDWVUXYNNQRR-NRFANRHFSA-N 0 0 420.582 5.073 40 0 HKABRN Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H]1c1cc(Cc2ccccc2C)cc(C)n1 ZINC000019692073 558961649 /nfs/dbraw/zinc/96/16/49/558961649.db2.gz GYEGXFIFMBGYLS-HSZRJFAPSA-N 0 0 417.553 5.686 40 0 HKABRN Cc1onc(C(C)C)c1C(=O)N1CCC[C@H]1c1cc(Cc2ccccc2C)cc(C)n1 ZINC000019692074 558961634 /nfs/dbraw/zinc/96/16/34/558961634.db2.gz GYEGXFIFMBGYLS-QHCPKHFHSA-N 0 0 417.553 5.686 40 0 HKABRN Cc1nn(C(C)C)c(C)c1CN1CCO[C@@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 ZINC000019693516 569346475 /nfs/dbraw/zinc/34/64/75/569346475.db2.gz HGTYNYUXAXTHKX-XMMPIXPASA-N 0 0 424.976 5.370 40 0 HKABRN Cc1nn(C(C)C)c(C)c1CN1CCO[C@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 ZINC000019693517 569346539 /nfs/dbraw/zinc/34/65/39/569346539.db2.gz HGTYNYUXAXTHKX-DEOSSOPVSA-N 0 0 424.976 5.370 40 0 HKABRN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)C2CCCC2)n1 ZINC000019694445 558962872 /nfs/dbraw/zinc/96/28/72/558962872.db2.gz QFKJBQMIGCTDAO-FQEVSTJZSA-N 0 0 412.965 5.107 40 0 HKABRN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2C(=O)C2CCCC2)n1 ZINC000019694446 558962863 /nfs/dbraw/zinc/96/28/63/558962863.db2.gz QFKJBQMIGCTDAO-HXUWFJFHSA-N 0 0 412.965 5.107 40 0 HKABRN CC(C)c1ccc(OCc2cc([C@@H]3CCN(C(=O)CCc4ccccc4)C3)[nH]n2)cc1 ZINC000019696262 569346723 /nfs/dbraw/zinc/34/67/23/569346723.db2.gz FHHCZBCVAWRQJS-JOCHJYFZSA-N 0 0 417.553 5.061 40 0 HKABRN CC(C)c1ccc(OCc2cc([C@H]3CCN(C(=O)CCc4ccccc4)C3)[nH]n2)cc1 ZINC000019696263 569346717 /nfs/dbraw/zinc/34/67/17/569346717.db2.gz FHHCZBCVAWRQJS-QFIPXVFZSA-N 0 0 417.553 5.061 40 0 HKABRN Cc1nnc2n1C[C@H](c1cccc(C(=O)Nc3ccccc3-c3ccccc3)c1)CC2 ZINC000019698189 558965756 /nfs/dbraw/zinc/96/57/56/558965756.db2.gz CUHQDIDBTAODPV-JOCHJYFZSA-N 0 0 408.505 5.236 40 0 HKABRN Cc1nnc2n1C[C@@H](c1cccc(C(=O)Nc3ccccc3-c3ccccc3)c1)CC2 ZINC000019698190 558965706 /nfs/dbraw/zinc/96/57/06/558965706.db2.gz CUHQDIDBTAODPV-QFIPXVFZSA-N 0 0 408.505 5.236 40 0 HKABRN Cc1nnc2n1C[C@H](c1cccc(C(=O)Nc3ccccc3Oc3ccccc3)c1)CC2 ZINC000019698191 558965757 /nfs/dbraw/zinc/96/57/57/558965757.db2.gz WLGJKPWTDUPKDM-OAQYLSRUSA-N 0 0 424.504 5.361 40 0 HKABRN Cc1nnc2n1C[C@@H](c1cccc(C(=O)Nc3ccccc3Oc3ccccc3)c1)CC2 ZINC000019698192 558965709 /nfs/dbraw/zinc/96/57/09/558965709.db2.gz WLGJKPWTDUPKDM-NRFANRHFSA-N 0 0 424.504 5.361 40 0 HKABRN CCc1nnc2n1C[C@H](c1ccc(NC(=O)c3oc4ccc(C)cc4c3C)cc1)CC2 ZINC000019699135 558966578 /nfs/dbraw/zinc/96/65/78/558966578.db2.gz ZXICGLOSUJLGMV-GOSISDBHSA-N 0 0 414.509 5.186 40 0 HKABRN CCc1nnc2n1C[C@@H](c1ccc(NC(=O)c3oc4ccc(C)cc4c3C)cc1)CC2 ZINC000019699136 558966570 /nfs/dbraw/zinc/96/65/70/558966570.db2.gz ZXICGLOSUJLGMV-SFHVURJKSA-N 0 0 414.509 5.186 40 0 HKABRN COc1cccc(-c2cccc(CNc3ccc([C@@H]4CCc5nncn5C4)cc3)c2)c1 ZINC000019699166 558966577 /nfs/dbraw/zinc/96/65/77/558966577.db2.gz MXHJVKQGVCKTAO-HSZRJFAPSA-N 0 0 410.521 5.296 40 0 HKABRN COc1cccc(-c2cccc(CNc3ccc([C@H]4CCc5nncn5C4)cc3)c2)c1 ZINC000019699167 558966531 /nfs/dbraw/zinc/96/65/31/558966531.db2.gz MXHJVKQGVCKTAO-QHCPKHFHSA-N 0 0 410.521 5.296 40 0 HKABRN CCN(C(=O)c1ccccn1)[C@H]1CCO[C@@H](c2ccccc2-c2cc(F)cc(F)c2)C1 ZINC000019711897 569428894 /nfs/dbraw/zinc/42/88/94/569428894.db2.gz OLMHNPNCWPNINK-GBXCKJPGSA-N 0 0 422.475 5.409 40 0 HKABRN CCN(C(=O)c1ccccn1)[C@H]1CCO[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C1 ZINC000019711973 569348288 /nfs/dbraw/zinc/34/82/88/569348288.db2.gz AIVLCOXDOVNEPV-LADGPHEKSA-N 0 0 422.475 5.409 40 0 HKABRN CCN(C(=O)CC1CCCCC1)[C@H]1CCO[C@@H](c2ccc(-c3cncnc3)cc2)C1 ZINC000019711977 569348264 /nfs/dbraw/zinc/34/82/64/569348264.db2.gz OGRRENUXRGUAEZ-BJKOFHAPSA-N 0 0 407.558 5.183 40 0 HKABRN CCN(C(=O)c1ccccn1)[C@H]1CCO[C@@H](c2cccc(-c3cc(F)cc(F)c3)c2)C1 ZINC000019712001 569348272 /nfs/dbraw/zinc/34/82/72/569348272.db2.gz OEBIQGLTRXHCOP-LADGPHEKSA-N 0 0 422.475 5.409 40 0 HKABRN CCN(C(=O)[C@@H](C)c1ccccc1)[C@H]1CCO[C@@H](c2ccc(-c3cncnc3)cc2)C1 ZINC000019712020 569348265 /nfs/dbraw/zinc/34/82/65/569348265.db2.gz DZHSTIYKCLNBBY-PNTFMKQHSA-N 0 0 415.537 5.016 40 0 HKABRN CCN(C(=O)[C@H](C)c1ccccc1)[C@H]1CCO[C@@H](c2ccc(-c3cncnc3)cc2)C1 ZINC000019712021 569348271 /nfs/dbraw/zinc/34/82/71/569348271.db2.gz DZHSTIYKCLNBBY-BTZRARBUSA-N 0 0 415.537 5.016 40 0 HKABRN O=C(c1ccccc1-c1ccccc1)N1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccccc1 ZINC000019713286 569348425 /nfs/dbraw/zinc/34/84/25/569348425.db2.gz HRTTVNSZEHRCGK-CLJLJLNGSA-N 0 0 424.544 5.149 40 0 HKABRN CC(C)(C)C(=O)N1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(C(F)(F)F)cc1 ZINC000019713756 569348480 /nfs/dbraw/zinc/34/84/80/569348480.db2.gz WSCJCXHVTVKPFR-XMSQKQJNSA-N 0 0 424.507 5.014 40 0 HKABRN CC(C)CC(=O)N1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(C(F)(F)F)cc1 ZINC000019713763 569348502 /nfs/dbraw/zinc/34/85/02/569348502.db2.gz DHODLKPCSIENSQ-DENIHFKCSA-N 0 0 424.507 5.014 40 0 HKABRN Cc1nc(-c2ccccc2F)sc1C(=O)Nc1ccccc1OCc1ccccn1 ZINC000019714469 558974329 /nfs/dbraw/zinc/97/43/29/558974329.db2.gz LNFXRXJUINZGCT-UHFFFAOYSA-N 0 0 419.481 5.484 40 0 HKABRN Cn1c2ccccc2nc1[C@@H]1CCCN(C(=O)c2cc(C3CC3)nc3ccccc32)C1 ZINC000019714766 558975045 /nfs/dbraw/zinc/97/50/45/558975045.db2.gz MWVGFMDYEZROSA-GOSISDBHSA-N 0 0 410.521 5.019 40 0 HKABRN Cn1c2ccccc2nc1[C@H]1CCCN(C(=O)c2cc(C3CC3)nc3ccccc32)C1 ZINC000019714767 558974928 /nfs/dbraw/zinc/97/49/28/558974928.db2.gz MWVGFMDYEZROSA-SFHVURJKSA-N 0 0 410.521 5.019 40 0 HKABRN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc2cc(C)cc(C)c2nc1C ZINC000019714844 558975212 /nfs/dbraw/zinc/97/52/12/558975212.db2.gz FJBHTNUKPWYHFI-UHFFFAOYSA-N 0 0 416.500 5.413 40 0 HKABRN Cc1cc(-c2csc(NC(=O)c3cnn4c3nc(C)cc4C(F)F)n2)c(C)s1 ZINC000019714897 558975141 /nfs/dbraw/zinc/97/51/41/558975141.db2.gz UVBDKRHPSWPEJY-UHFFFAOYSA-N 0 0 419.482 5.029 40 0 HKABRN Cc1nn(-c2ccc(F)cc2)c(C)c1CN[C@H](C)c1nc2ccccc2n1C(C)C ZINC000019715477 558976546 /nfs/dbraw/zinc/97/65/46/558976546.db2.gz JCELBTNQLDZRAA-QGZVFWFLSA-N 0 0 405.521 5.410 40 0 HKABRN Cc1nn(-c2ccc(F)cc2)c(C)c1CN[C@@H](C)c1nc2ccccc2n1C(C)C ZINC000019715478 558976509 /nfs/dbraw/zinc/97/65/09/558976509.db2.gz JCELBTNQLDZRAA-KRWDZBQOSA-N 0 0 405.521 5.410 40 0 HKABRN CC[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2cn(C)nc2C)nc2ccccc21 ZINC000019716416 558978277 /nfs/dbraw/zinc/97/82/77/558978277.db2.gz YTUYKRLQMMUMKX-XMMPIXPASA-N 0 0 416.500 5.306 40 0 HKABRN CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2cn(C)nc2C)nc2ccccc21 ZINC000019716417 558978263 /nfs/dbraw/zinc/97/82/63/558978263.db2.gz YTUYKRLQMMUMKX-DEOSSOPVSA-N 0 0 416.500 5.306 40 0 HKABRN CC[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2cnn(C)c2C)nc2ccccc21 ZINC000019716478 558978540 /nfs/dbraw/zinc/97/85/40/558978540.db2.gz MPMRVHQVRQMMMW-XMMPIXPASA-N 0 0 416.500 5.306 40 0 HKABRN CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2cnn(C)c2C)nc2ccccc21 ZINC000019716479 558978533 /nfs/dbraw/zinc/97/85/33/558978533.db2.gz MPMRVHQVRQMMMW-DEOSSOPVSA-N 0 0 416.500 5.306 40 0 HKABRN Cc1c(-c2cc(C(=O)Nc3c(C)ccc4nc(C)ccc43)c3ccccc3n2)cnn1C ZINC000019717440 558980155 /nfs/dbraw/zinc/98/01/55/558980155.db2.gz AMHUXIPLNTTWPI-UHFFFAOYSA-N 0 0 421.504 5.361 40 0 HKABRN Cc1nn(C[C@H](C)c2cc(NCc3ccccc3OC(C)C)nc(C)n2)c(C)c1C ZINC000019717919 558980854 /nfs/dbraw/zinc/98/08/54/558980854.db2.gz MJMLLLSTNYDMQE-INIZCTEOSA-N 0 0 407.562 5.110 40 0 HKABRN Cc1nn(C[C@@H](C)c2cc(NCc3ccccc3OC(C)C)nc(C)n2)c(C)c1C ZINC000019717920 558980961 /nfs/dbraw/zinc/98/09/61/558980961.db2.gz MJMLLLSTNYDMQE-MRXNPFEDSA-N 0 0 407.562 5.110 40 0 HKABRN Cc1cc(-c2cc(C)ccc2NC(=O)c2c(C)onc2-c2ccccc2Cl)n[nH]1 ZINC000019718273 558981399 /nfs/dbraw/zinc/98/13/99/558981399.db2.gz YBKWHOPSUZZCPS-UHFFFAOYSA-N 0 0 406.873 5.563 40 0 HKABRN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000019718277 558981404 /nfs/dbraw/zinc/98/14/04/558981404.db2.gz WPAVOVLKUUBTFF-UHFFFAOYSA-N 0 0 403.935 5.030 40 0 HKABRN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C)c1nc2ccccc2n1C(C)C ZINC000019718287 558981452 /nfs/dbraw/zinc/98/14/52/558981452.db2.gz ANBQFYVBKARABQ-CQSZACIVSA-N 0 0 422.916 5.725 40 0 HKABRN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C ZINC000019718288 558981426 /nfs/dbraw/zinc/98/14/26/558981426.db2.gz ANBQFYVBKARABQ-AWEZNQCLSA-N 0 0 422.916 5.725 40 0 HKABRN Cc1nccn1Cc1cccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)c1 ZINC000019718300 558981576 /nfs/dbraw/zinc/98/15/76/558981576.db2.gz FWSKRJDIPRXYGD-UHFFFAOYSA-N 0 0 419.488 5.102 40 0 HKABRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(C)cc3-c3cc(C)[nH]n3)c2)n1 ZINC000019718332 558981617 /nfs/dbraw/zinc/98/16/17/558981617.db2.gz JCWUTLHLUPKRFZ-UHFFFAOYSA-N 0 0 419.916 5.402 40 0 HKABRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3nnc(C4CCCCC4)s3)c2)n1 ZINC000019718341 558981596 /nfs/dbraw/zinc/98/15/96/558981596.db2.gz LGPZFOKMJCSRKC-UHFFFAOYSA-N 0 0 415.950 5.294 40 0 HKABRN COCc1c(C)onc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000019718596 558982004 /nfs/dbraw/zinc/98/20/04/558982004.db2.gz RXDIUPQOMJZUQO-UHFFFAOYSA-N 0 0 413.886 5.312 40 0 HKABRN Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC[C@@H](c2nc3ccccc3n2C)C1 ZINC000019718677 558982214 /nfs/dbraw/zinc/98/22/14/558982214.db2.gz WKFVGBGBSGKATB-MRXNPFEDSA-N 0 0 418.928 5.103 40 0 HKABRN Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC[C@H](c2nc3ccccc3n2C)C1 ZINC000019718678 558982166 /nfs/dbraw/zinc/98/21/66/558982166.db2.gz WKFVGBGBSGKATB-INIZCTEOSA-N 0 0 418.928 5.103 40 0 HKABRN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000019718760 558982230 /nfs/dbraw/zinc/98/22/30/558982230.db2.gz ZLIGGLKDPQPSNB-MRXNPFEDSA-N 0 0 404.539 5.161 40 0 HKABRN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000019718761 558982123 /nfs/dbraw/zinc/98/21/23/558982123.db2.gz ZLIGGLKDPQPSNB-INIZCTEOSA-N 0 0 404.539 5.161 40 0 HKABRN CCCn1nc(C)c(-c2cc(C(=O)Nc3cc4cc(C)oc4c(Cl)c3)n[nH]2)c1C ZINC000019719312 558257965 /nfs/dbraw/zinc/25/79/65/558257965.db2.gz ARDINCRNTUKDLK-UHFFFAOYSA-N 0 0 411.893 5.260 40 0 HKABRN O=C(CCc1ccccc1)N1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 ZINC000019719742 558258235 /nfs/dbraw/zinc/25/82/35/558258235.db2.gz FBGOWRAANUOOCJ-UHFFFAOYSA-N 0 0 416.468 5.346 40 0 HKABRN COc1cccc(C(=O)N2CCc3nc(-c4ccc(C(F)(F)F)cc4)sc3C2)c1 ZINC000019719748 558258244 /nfs/dbraw/zinc/25/82/44/558258244.db2.gz SYKZSVRNTBPPPT-UHFFFAOYSA-N 0 0 418.440 5.036 40 0 HKABRN O=C(CCc1c[nH]c2ccccc12)N1CCc2nc(-c3cc(F)cc(F)c3)sc2C1 ZINC000019719920 558258491 /nfs/dbraw/zinc/25/84/91/558258491.db2.gz RIFWYTYQIURZDG-UHFFFAOYSA-N 0 0 423.488 5.087 40 0 HKABRN O=C(N[C@H]1CC[C@]2(CCC(=O)N2)[C@@H](c2ccccc2)C1)c1ccccc1-c1ccccc1 ZINC000019740089 569429452 /nfs/dbraw/zinc/42/94/52/569429452.db2.gz LEJYWWJRGARKSF-DLNIMUOOSA-N 0 0 424.544 5.069 40 0 HKABRN CC(C)Nc1n[nH]c2nc([C@@H]3CCCN3C(=O)CC3CCCC3)cc(C(F)(F)F)c12 ZINC000019742402 558262755 /nfs/dbraw/zinc/26/27/55/558262755.db2.gz WGDOISZFOMJBOJ-INIZCTEOSA-N 0 0 423.483 5.041 40 0 HKABRN CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)CC3CCCC3)cc(C(F)(F)F)c12 ZINC000019742404 558262642 /nfs/dbraw/zinc/26/26/42/558262642.db2.gz WGDOISZFOMJBOJ-MRXNPFEDSA-N 0 0 423.483 5.041 40 0 HKABRN CC(C)Nc1n[nH]c2nc([C@@H]3CCCN3C(=O)C3CCCCC3)cc(C(F)(F)F)c12 ZINC000019742535 558263105 /nfs/dbraw/zinc/26/31/05/558263105.db2.gz KRXIHNHGRWQJBI-INIZCTEOSA-N 0 0 423.483 5.041 40 0 HKABRN CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)C3CCCCC3)cc(C(F)(F)F)c12 ZINC000019742537 558262946 /nfs/dbraw/zinc/26/29/46/558262946.db2.gz KRXIHNHGRWQJBI-MRXNPFEDSA-N 0 0 423.483 5.041 40 0 HKABRN O=C(CC1CCCCC1)N1CCC([C@@H]2CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000019744884 558265472 /nfs/dbraw/zinc/26/54/72/558265472.db2.gz DSPJFUBERLOYBS-DEOSSOPVSA-N 0 0 410.602 5.024 40 0 HKABRN O=C(CC1CCCCC1)N1CCC([C@H]2CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000019744886 558265525 /nfs/dbraw/zinc/26/55/25/558265525.db2.gz DSPJFUBERLOYBS-XMMPIXPASA-N 0 0 410.602 5.024 40 0 HKABRN C[C@@]1(C2CCN(C(=O)C3CCCCC3)CC2)CCCCN(CCc2ccccc2)C1=O ZINC000019744956 558265482 /nfs/dbraw/zinc/26/54/82/558265482.db2.gz VXJWBLPWICLZJT-MHZLTWQESA-N 0 0 424.629 5.067 40 0 HKABRN C[C@]1(C2CCN(C(=O)C3CCCCC3)CC2)CCCCN(CCc2ccccc2)C1=O ZINC000019744957 558265485 /nfs/dbraw/zinc/26/54/85/558265485.db2.gz VXJWBLPWICLZJT-HHHXNRCGSA-N 0 0 424.629 5.067 40 0 HKABRN C[C@@]1(C2CCN(C(=O)CC3CCCC3)CC2)CCCCN(Cc2ccccc2)C1=O ZINC000019744970 558265551 /nfs/dbraw/zinc/26/55/51/558265551.db2.gz VXDMTCMVAWKPBR-SANMLTNESA-N 0 0 410.602 5.024 40 0 HKABRN C[C@]1(C2CCN(C(=O)CC3CCCC3)CC2)CCCCN(Cc2ccccc2)C1=O ZINC000019744971 558265436 /nfs/dbraw/zinc/26/54/36/558265436.db2.gz VXDMTCMVAWKPBR-AREMUKBSSA-N 0 0 410.602 5.024 40 0 HKABRN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000019799856 560875953 /nfs/dbraw/zinc/87/59/53/560875953.db2.gz QWEPZKQWNVXKDO-SHOZBNPJSA-N 0 0 402.575 5.449 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC(=O)[C@@]4(O)CCCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000019802548 560094171 /nfs/dbraw/zinc/09/41/71/560094171.db2.gz AYXDXVGGAIDTQI-WIVCHPGFSA-N 0 0 402.663 6.792 40 0 biogenic,in-vitro HKABRN O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Br ZINC000019814560 560875924 /nfs/dbraw/zinc/87/59/24/560875924.db2.gz VETIPDKAGWDXJE-UHFFFAOYSA-N 0 0 420.266 5.418 40 0 HKABRN COc1ccc(-n2nc(Nc3ccc4ccccc4c3)c3c2CC(C)(C)CC3=O)cc1 ZINC000019816989 558287495 /nfs/dbraw/zinc/28/74/95/558287495.db2.gz ODOAUDSJBSMHDF-UHFFFAOYSA-N 0 0 411.505 5.933 40 0 HKABRN Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc2c(-c3ccccc3)cnn21 ZINC000019816991 558287454 /nfs/dbraw/zinc/28/74/54/558287454.db2.gz TWCCNJKTHWJLSA-UHFFFAOYSA-N 0 0 421.460 5.144 40 0 HKABRN Cc1c(C(=O)Nc2cccc(Cl)c2)nnc2c(-c3cccc4ccccc43)cnn21 ZINC000019817177 525660211 /nfs/dbraw/zinc/66/02/11/525660211.db2.gz SIBHAEHJOWKMES-UHFFFAOYSA-N 0 0 413.868 5.159 40 0 HKABRN CCc1ccc(NC(=O)c2nnc3c(-c4cccc5ccccc54)cnn3c2C)cc1 ZINC000019817183 558287581 /nfs/dbraw/zinc/28/75/81/558287581.db2.gz AMOVPLLPENKVER-UHFFFAOYSA-N 0 0 407.477 5.068 40 0 HKABRN Cc1c(C(=O)Nc2ccccc2Cl)nnc2c(-c3cccc4ccccc43)cnn21 ZINC000019817189 525662171 /nfs/dbraw/zinc/66/21/71/525662171.db2.gz IVQLQFGOAFVWML-UHFFFAOYSA-N 0 0 413.868 5.159 40 0 HKABRN Cc1ccc(NC(=O)c2nnc3c(-c4cccc5ccccc54)cnn3c2C)c(C)c1 ZINC000019817193 558287563 /nfs/dbraw/zinc/28/75/63/558287563.db2.gz ABPVJOLBONIMPT-UHFFFAOYSA-N 0 0 407.477 5.122 40 0 HKABRN Cc1ccc(Nc2nn(-c3nc4ccccc4s3)c3c2C(=O)CC(C)(C)C3)cc1 ZINC000019817231 558287555 /nfs/dbraw/zinc/28/75/55/558287555.db2.gz KRCNXZUONQYXDT-UHFFFAOYSA-N 0 0 402.523 5.689 40 0 HKABRN C[C@H]1Cc2c(c(Nc3ccc(Cl)cc3)nn2-c2nc3ccccc3s2)C(=O)C1 ZINC000019817235 558287560 /nfs/dbraw/zinc/28/75/60/558287560.db2.gz SPAJEYFBNKHUAB-LBPRGKRZSA-N 0 0 408.914 5.644 40 0 HKABRN C[C@@H]1Cc2c(c(Nc3ccc(Cl)cc3)nn2-c2nc3ccccc3s2)C(=O)C1 ZINC000019817237 558287638 /nfs/dbraw/zinc/28/76/38/558287638.db2.gz SPAJEYFBNKHUAB-GFCCVEGCSA-N 0 0 408.914 5.644 40 0 HKABRN CC1(C)Cc2c(c(Nc3ccc(Cl)cc3)nn2-c2nc3ccccc3s2)C(=O)C1 ZINC000019817239 558287667 /nfs/dbraw/zinc/28/76/67/558287667.db2.gz AQDADWZFDYEHBQ-UHFFFAOYSA-N 0 0 422.941 6.034 40 0 HKABRN CC1(C)Cc2c(c(Nc3ccc(F)cc3)nn2-c2nc3ccccc3s2)C(=O)C1 ZINC000019817247 558287660 /nfs/dbraw/zinc/28/76/60/558287660.db2.gz JQTSQJVEJIZIBK-UHFFFAOYSA-N 0 0 406.486 5.520 40 0 HKABRN COc1ccc(Nc2nn(-c3nc4ccccc4s3)c3c2C(=O)CC(C)(C)C3)cc1 ZINC000019817255 558287584 /nfs/dbraw/zinc/28/75/84/558287584.db2.gz NXFSZXHBVKXEKH-UHFFFAOYSA-N 0 0 418.522 5.389 40 0 HKABRN O=C1C[C@H](c2ccco2)Cc2c1c(Nc1ccc(Cl)cc1)nn2-c1ccccc1 ZINC000019817271 527032664 /nfs/dbraw/zinc/03/26/64/527032664.db2.gz MJDDZDOHCRKIID-OAHLLOKOSA-N 0 0 403.869 5.775 40 0 HKABRN O=C1C[C@@H](c2ccco2)Cc2c1c(Nc1ccc(Cl)cc1)nn2-c1ccccc1 ZINC000019817273 558287651 /nfs/dbraw/zinc/28/76/51/558287651.db2.gz MJDDZDOHCRKIID-HNNXBMFYSA-N 0 0 403.869 5.775 40 0 HKABRN CCOc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@H](c2ccco2)C3)cc1 ZINC000019817275 521141580 /nfs/dbraw/zinc/14/15/80/521141580.db2.gz FUVPZGDRWCESPM-QGZVFWFLSA-N 0 0 413.477 5.520 40 0 HKABRN CCOc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](c2ccco2)C3)cc1 ZINC000019817277 558287597 /nfs/dbraw/zinc/28/75/97/558287597.db2.gz FUVPZGDRWCESPM-KRWDZBQOSA-N 0 0 413.477 5.520 40 0 HKABRN Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@H](c2ccco2)C3)cc1Cl ZINC000019817295 558287624 /nfs/dbraw/zinc/28/76/24/558287624.db2.gz POLNCHCJWQGRHG-MRXNPFEDSA-N 0 0 417.896 6.083 40 0 HKABRN Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](c2ccco2)C3)cc1Cl ZINC000019817297 558287663 /nfs/dbraw/zinc/28/76/63/558287663.db2.gz POLNCHCJWQGRHG-INIZCTEOSA-N 0 0 417.896 6.083 40 0 HKABRN Cc1nn(-c2nc3ccccc3s2)c2c1C(=O)C[C@@H](c1ccc(C(C)C)cc1)C2 ZINC000019817315 558287626 /nfs/dbraw/zinc/28/76/26/558287626.db2.gz SZCZGQJYGRUTPF-SFHVURJKSA-N 0 0 401.535 5.827 40 0 HKABRN Cc1nn(-c2nc3ccccc3s2)c2c1C(=O)C[C@H](c1ccc(C(C)C)cc1)C2 ZINC000019817317 527571334 /nfs/dbraw/zinc/57/13/34/527571334.db2.gz SZCZGQJYGRUTPF-GOSISDBHSA-N 0 0 401.535 5.827 40 0 HKABRN Cc1ccc(SCc2cc(=O)[nH]c(Nc3nc(-c4ccccc4)cs3)n2)cc1 ZINC000019819608 558289897 /nfs/dbraw/zinc/28/98/97/558289897.db2.gz YYBYSFLPJIVECN-UHFFFAOYSA-N 0 0 406.536 5.238 40 0 HKABRN Cc1ccc(COc2cccc(C(=S)N3CCN(Cc4ccccc4)CC3)c2)cc1 ZINC000019842666 558294585 /nfs/dbraw/zinc/29/45/85/558294585.db2.gz WDBCLUWJNVMNGT-UHFFFAOYSA-N 0 0 416.590 5.067 40 0 HKABRN CC(C)(C)c1cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000019842675 558294635 /nfs/dbraw/zinc/29/46/35/558294635.db2.gz QWFVFMLRIGISJQ-UHFFFAOYSA-N 0 0 424.654 5.481 40 0 HKABRN Cc1cccc(CSCCNC(=O)c2ccc(CSCc3ccccc3)cc2)c1 ZINC000019887535 569349175 /nfs/dbraw/zinc/34/91/75/569349175.db2.gz VZWGONPCIOJYAC-UHFFFAOYSA-N 0 0 421.631 6.092 40 0 HKABRN COc1cccc2cc(C(=O)NCCSCc3ccc(Cl)cc3Cl)oc21 ZINC000019887856 524259440 /nfs/dbraw/zinc/25/94/40/524259440.db2.gz DIAOKMGLYPZXPR-UHFFFAOYSA-N 0 0 410.322 5.411 40 0 HKABRN COc1cccc2cc(C(=O)NCCSCc3c(Cl)cccc3Cl)oc21 ZINC000019887862 558302189 /nfs/dbraw/zinc/30/21/89/558302189.db2.gz MWCATCRXSADCBI-UHFFFAOYSA-N 0 0 410.322 5.411 40 0 HKABRN COc1cccc2cc(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)oc21 ZINC000019887870 558302120 /nfs/dbraw/zinc/30/21/20/558302120.db2.gz NOCYDOGMADPXCZ-INIZCTEOSA-N 0 0 414.461 5.185 40 0 HKABRN COc1cccc2cc(C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)oc21 ZINC000019887871 524258911 /nfs/dbraw/zinc/25/89/11/524258911.db2.gz NOCYDOGMADPXCZ-MRXNPFEDSA-N 0 0 414.461 5.185 40 0 HKABRN Cc1ccc(-c2sc(NC(=O)c3cccc(F)c3)nc2-c2ccc(C)c(C)c2)cc1 ZINC000019894501 558303751 /nfs/dbraw/zinc/30/37/51/558303751.db2.gz OCILNFPEXNQCOQ-UHFFFAOYSA-N 0 0 416.521 6.794 40 0 HKABRN CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccc(Br)cc1 ZINC000019927285 523232716 /nfs/dbraw/zinc/23/27/16/523232716.db2.gz QPZFUSZQARZHPU-UHFFFAOYSA-N 0 0 416.344 5.011 40 0 HKABRN Cc1ccc(OCc2nnc(SCC(=O)c3ccc(Cl)cc3Cl)o2)cc1C ZINC000019927342 558308176 /nfs/dbraw/zinc/30/81/76/558308176.db2.gz HGKOJBALUWUNIE-UHFFFAOYSA-N 0 0 423.321 5.547 40 0 HKABRN Cc1cc(C)cc(OCc2nnc(SCC(=O)c3ccc(Cl)cc3Cl)o2)c1 ZINC000019927407 524454706 /nfs/dbraw/zinc/45/47/06/524454706.db2.gz OYWZXABFQSIIPO-UHFFFAOYSA-N 0 0 423.321 5.547 40 0 HKABRN Cc1cccc(-c2nnc(SCc3nnc(-c4ccc(C(C)(C)C)cc4)o3)o2)c1 ZINC000019927461 558308122 /nfs/dbraw/zinc/30/81/22/558308122.db2.gz PIGYISFKKXMLJQ-UHFFFAOYSA-N 0 0 406.511 5.685 40 0 HKABRN Cc1cccc(-c2nnc(SCc3nnc(-c4ccc(Cl)cc4Cl)o3)o2)c1 ZINC000019927470 558308063 /nfs/dbraw/zinc/30/80/63/558308063.db2.gz LEEKNOWWVKSSAF-UHFFFAOYSA-N 0 0 419.293 5.694 40 0 HKABRN Cc1cccc(-c2nc(SCC(=O)N(c3ccccc3)c3ccccc3)n[nH]2)c1 ZINC000019927546 558308417 /nfs/dbraw/zinc/30/84/17/558308417.db2.gz CLLVJISSLPVRMU-UHFFFAOYSA-N 0 0 400.507 5.237 40 0 HKABRN Cc1cccc(-c2nc(SCc3nnc(-c4ccc(C(C)(C)C)cc4)o3)n[nH]2)c1 ZINC000019927569 558308304 /nfs/dbraw/zinc/30/83/04/558308304.db2.gz AAMAFDMJEFXGCK-UHFFFAOYSA-N 0 0 405.527 5.420 40 0 HKABRN Cc1cccc(-c2nc(SCc3nnc(-c4ccc(Cl)cc4Cl)o3)n[nH]2)c1 ZINC000019927586 558308349 /nfs/dbraw/zinc/30/83/49/558308349.db2.gz WJHFFHZCRVVIRM-UHFFFAOYSA-N 0 0 418.309 5.429 40 0 HKABRN CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1cccc(C)c1 ZINC000019927660 523242851 /nfs/dbraw/zinc/24/28/51/523242851.db2.gz LHQDHAYHIYHMRL-UHFFFAOYSA-N 0 0 411.918 5.269 40 0 HKABRN Clc1ccc(CSc2n[nH]c(-c3ccc(Br)cc3)n2)c(Cl)c1 ZINC000019927797 558308313 /nfs/dbraw/zinc/30/83/13/558308313.db2.gz DREKUKDRCXFEED-UHFFFAOYSA-N 0 0 415.143 5.833 40 0 HKABRN Cc1ccc(OCc2nnc(SCc3cccc(Br)c3)o2)cc1C ZINC000019928074 525452933 /nfs/dbraw/zinc/45/29/33/525452933.db2.gz UNSRGGXCFZTUIV-UHFFFAOYSA-N 0 0 405.317 5.320 40 0 HKABRN Clc1ccc(-c2nnc(CSc3nnc(-c4ccccc4Cl)o3)o2)cc1 ZINC000019928109 526936224 /nfs/dbraw/zinc/93/62/24/526936224.db2.gz JXXBYBBLBYPKGE-UHFFFAOYSA-N 0 0 405.266 5.386 40 0 HKABRN Clc1ccccc1-c1nnc(CSc2nnc(-c3ccccc3Cl)o2)o1 ZINC000019928133 558308562 /nfs/dbraw/zinc/30/85/62/558308562.db2.gz ODAFFFDYAHDILR-UHFFFAOYSA-N 0 0 405.266 5.386 40 0 HKABRN O=C(CSc1n[nH]c(-c2ccccc2Cl)n1)N(c1ccccc1)c1ccccc1 ZINC000019928198 558308657 /nfs/dbraw/zinc/30/86/57/558308657.db2.gz SLVWSPHVKGQLDS-UHFFFAOYSA-N 0 0 420.925 5.582 40 0 HKABRN O=C(CSc1n[nH]c(-c2ccccc2Cl)n1)Nc1cc(Cl)cc(Cl)c1 ZINC000019928200 558308555 /nfs/dbraw/zinc/30/85/55/558308555.db2.gz KPEWZVCSQBXMFQ-UHFFFAOYSA-N 0 0 413.717 5.163 40 0 HKABRN Clc1ccc(-c2nnc(CSc3n[nH]c(-c4ccccc4Cl)n3)o2)cc1 ZINC000019928214 558308518 /nfs/dbraw/zinc/30/85/18/558308518.db2.gz RKFUXACNOPUKTR-UHFFFAOYSA-N 0 0 404.282 5.121 40 0 HKABRN Clc1ccccc1-c1nc(SCc2nnc(-c3ccccc3Cl)o2)n[nH]1 ZINC000019928243 526986109 /nfs/dbraw/zinc/98/61/09/526986109.db2.gz ZACVKTSQXYEJDE-UHFFFAOYSA-N 0 0 404.282 5.121 40 0 HKABRN CCn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1-c1ccccc1Cl ZINC000019928294 558308654 /nfs/dbraw/zinc/30/86/54/558308654.db2.gz VMPQZWVTEHQIMX-UHFFFAOYSA-N 0 0 415.881 5.100 40 0 HKABRN CCn1c(SCc2nnc(-c3cccc(C)c3)o2)nnc1-c1ccccc1Cl ZINC000019928302 558308644 /nfs/dbraw/zinc/30/86/44/558308644.db2.gz KWRBLGMREURVNA-UHFFFAOYSA-N 0 0 411.918 5.269 40 0 HKABRN Cc1cc(C)cc(OCc2nnc(SCc3cccc(Br)c3)o2)c1 ZINC000019928373 558308559 /nfs/dbraw/zinc/30/85/59/558308559.db2.gz KMPFFWRZSVUMSB-UHFFFAOYSA-N 0 0 405.317 5.320 40 0 HKABRN Clc1ccc(-c2nnc(SCc3nnc(-c4ccccc4Cl)o3)o2)cc1 ZINC000019928756 558308798 /nfs/dbraw/zinc/30/87/98/558308798.db2.gz RYSZNOXUMYXGHU-UHFFFAOYSA-N 0 0 405.266 5.386 40 0 HKABRN Clc1ccc(-c2nc(SCc3nnc(-c4ccc(Cl)cc4)o3)n[nH]2)cc1 ZINC000019928770 558308827 /nfs/dbraw/zinc/30/88/27/558308827.db2.gz INBNXYPUORTPAX-UHFFFAOYSA-N 0 0 404.282 5.121 40 0 HKABRN Clc1ccc(-c2nc(SCc3nnc(-c4ccccc4Cl)o3)n[nH]2)cc1 ZINC000019928806 558308842 /nfs/dbraw/zinc/30/88/42/558308842.db2.gz IVNPWKCYJXMNDB-UHFFFAOYSA-N 0 0 404.282 5.121 40 0 HKABRN CCn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1-c1ccc(Cl)cc1 ZINC000019928816 558308847 /nfs/dbraw/zinc/30/88/47/558308847.db2.gz RHTWWDRJZHQQFB-UHFFFAOYSA-N 0 0 415.881 5.100 40 0 HKABRN CC(C)(C)c1ccc(-c2nnc(CSc3nnc(Cc4ccccc4)o3)o2)cc1 ZINC000019929036 519008535 /nfs/dbraw/zinc/00/85/35/519008535.db2.gz ORITXYAHTAZFDP-UHFFFAOYSA-N 0 0 406.511 5.300 40 0 HKABRN Clc1ccc(-c2nnc(CSc3nnc(Cc4ccccc4)o3)o2)c(Cl)c1 ZINC000019929043 526936429 /nfs/dbraw/zinc/93/64/29/526936429.db2.gz UNYMJHVXFUWITH-UHFFFAOYSA-N 0 0 419.293 5.310 40 0 HKABRN CC(C)(C)c1ccc(-c2nnc(CSc3nnc(COc4ccccc4)o3)o2)cc1 ZINC000019929077 558309106 /nfs/dbraw/zinc/30/91/06/558309106.db2.gz QCISUOKFWXEFOY-UHFFFAOYSA-N 0 0 422.510 5.288 40 0 HKABRN Clc1ccc(OCc2nnc(SCc3cccc(Br)c3)o2)cc1 ZINC000019929119 558309066 /nfs/dbraw/zinc/30/90/66/558309066.db2.gz ADKMHLRUIGDVEE-UHFFFAOYSA-N 0 0 411.708 5.357 40 0 HKABRN COc1ccc(Cl)cc1-c1nnc(SCc2nnc(-c3cccc(C)c3)o2)o1 ZINC000019929151 558309331 /nfs/dbraw/zinc/30/93/31/558309331.db2.gz AKCIJTNXUFLOPC-UHFFFAOYSA-N 0 0 414.874 5.049 40 0 HKABRN COc1ccc(Cl)cc1-c1nnc(SCc2cccc(Br)c2)o1 ZINC000019929154 524189996 /nfs/dbraw/zinc/18/99/96/524189996.db2.gz UILIIBKBHATGGY-UHFFFAOYSA-N 0 0 411.708 5.453 40 0 HKABRN COc1ccc(Cl)cc1-c1nc(SCc2cccc(Br)c2)n[nH]1 ZINC000019929212 558309370 /nfs/dbraw/zinc/30/93/70/558309370.db2.gz KVOUQIHICZICJO-UHFFFAOYSA-N 0 0 410.724 5.189 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000019931549 558310280 /nfs/dbraw/zinc/31/02/80/558310280.db2.gz KSHXKQBCVSGCEB-AREMUKBSSA-N 0 0 401.550 6.121 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000019931551 558310282 /nfs/dbraw/zinc/31/02/82/558310282.db2.gz KSHXKQBCVSGCEB-SANMLTNESA-N 0 0 401.550 6.121 40 0 HKABRN Cc1ccccc1[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000019931784 525376416 /nfs/dbraw/zinc/37/64/16/525376416.db2.gz SFDQFCCORMHADG-FQEVSTJZSA-N 0 0 406.334 5.370 40 0 HKABRN Cc1ccccc1[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000019931786 558310529 /nfs/dbraw/zinc/31/05/29/558310529.db2.gz SFDQFCCORMHADG-HXUWFJFHSA-N 0 0 406.334 5.370 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1 ZINC000019931849 558310535 /nfs/dbraw/zinc/31/05/35/558310535.db2.gz KCDAPKLVJVHLKM-LJQANCHMSA-N 0 0 405.947 5.806 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1 ZINC000019931851 520725443 /nfs/dbraw/zinc/72/54/43/520725443.db2.gz KCDAPKLVJVHLKM-IBGZPJMESA-N 0 0 405.947 5.806 40 0 HKABRN CCOc1ccc(CNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000019932120 558310480 /nfs/dbraw/zinc/31/04/80/558310480.db2.gz BIUAVUWOWAASHD-UHFFFAOYSA-N 0 0 407.535 5.186 40 0 HKABRN O=C(Nc1ccccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000019932319 558310702 /nfs/dbraw/zinc/31/07/02/558310702.db2.gz KMJGGTYAFMEZHM-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN COc1ccc([C@@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1OC ZINC000019932440 558310764 /nfs/dbraw/zinc/31/07/64/558310764.db2.gz WIRBWALSYUFIOZ-GFCCVEGCSA-N 0 0 414.354 5.121 40 0 HKABRN COc1ccc([C@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1OC ZINC000019932442 558310766 /nfs/dbraw/zinc/31/07/66/558310766.db2.gz WIRBWALSYUFIOZ-LBPRGKRZSA-N 0 0 414.354 5.121 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000019932892 523061763 /nfs/dbraw/zinc/06/17/63/523061763.db2.gz ZHKRJFPIFCKAKI-UHFFFAOYSA-N 0 0 411.545 6.569 40 0 HKABRN Cc1ccccc1[C@@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccccc1 ZINC000019932982 558311020 /nfs/dbraw/zinc/31/10/20/558311020.db2.gz GPWXXJYWJCCHNY-QHCPKHFHSA-N 0 0 413.945 5.927 40 0 HKABRN Cc1ccccc1[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccccc1 ZINC000019932985 558310946 /nfs/dbraw/zinc/31/09/46/558310946.db2.gz GPWXXJYWJCCHNY-HSZRJFAPSA-N 0 0 413.945 5.927 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(Br)cc1F ZINC000019933073 558310981 /nfs/dbraw/zinc/31/09/81/558310981.db2.gz YHPAYUUYRZBKCS-GOSISDBHSA-N 0 0 402.263 5.538 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(Br)cc1F ZINC000019933074 558310942 /nfs/dbraw/zinc/31/09/42/558310942.db2.gz YHPAYUUYRZBKCS-SFHVURJKSA-N 0 0 402.263 5.538 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)c(Cl)c1 ZINC000019933091 558311023 /nfs/dbraw/zinc/31/10/23/558311023.db2.gz UFYLFIDMHTWYSZ-UHFFFAOYSA-N 0 0 424.909 6.352 40 0 HKABRN CCOc1ccc(CNC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1OCC ZINC000019933203 558311134 /nfs/dbraw/zinc/31/11/34/558311134.db2.gz FSIUQRTUHNCIGG-HXUWFJFHSA-N 0 0 407.963 5.325 40 0 HKABRN CCOc1ccc(CNC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1OCC ZINC000019933206 520994245 /nfs/dbraw/zinc/99/42/45/520994245.db2.gz FSIUQRTUHNCIGG-FQEVSTJZSA-N 0 0 407.963 5.325 40 0 HKABRN CCOc1ccc(CCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OCC ZINC000019933638 520944565 /nfs/dbraw/zinc/94/45/65/520944565.db2.gz IMHBOFMXVNSHFF-UHFFFAOYSA-N 0 0 415.839 5.728 40 0 HKABRN Cc1ccccc1O[C@H](C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000019934212 558311413 /nfs/dbraw/zinc/31/14/13/558311413.db2.gz KMBHMLDFQIIDTD-LJQANCHMSA-N 0 0 415.533 5.930 40 0 HKABRN Cc1ccccc1O[C@@H](C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000019934214 558311355 /nfs/dbraw/zinc/31/13/55/558311355.db2.gz KMBHMLDFQIIDTD-IBGZPJMESA-N 0 0 415.533 5.930 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)N1CCCC1 ZINC000019934413 558311561 /nfs/dbraw/zinc/31/15/61/558311561.db2.gz ZYQYGBDMUGCJFZ-UHFFFAOYSA-N 0 0 423.365 5.101 40 0 HKABRN CCOc1ccc(CCC(=O)NC(c2ccccc2)c2ccccc2)cc1OCC ZINC000019934628 558311514 /nfs/dbraw/zinc/31/15/14/558311514.db2.gz NUXHPZBCMPLOBD-UHFFFAOYSA-N 0 0 403.522 5.322 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cnc(-c2ccccc2)[nH]c1=O ZINC000019937307 558312431 /nfs/dbraw/zinc/31/24/31/558312431.db2.gz VRSXNAJZWGSNKW-UHFFFAOYSA-N 0 0 417.852 5.135 40 0 HKABRN CC(C)c1ccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000019947622 569349169 /nfs/dbraw/zinc/34/91/69/569349169.db2.gz JIWZPXIEQYPWGC-UHFFFAOYSA-N 0 0 422.550 5.029 40 0 HKABRN Cc1ccc(Sc2nc(S(=O)(=O)c3ccc(Cl)cc3)c(Cl)s2)cc1 ZINC000019958579 560885663 /nfs/dbraw/zinc/88/56/63/560885663.db2.gz WNVURPUZHIVBAF-UHFFFAOYSA-N 0 0 416.376 5.742 40 0 HKABRN O=S(=O)(c1nc(Sc2ccccc2)sc1Cl)c1ccc(Cl)cc1 ZINC000019958585 560885694 /nfs/dbraw/zinc/88/56/94/560885694.db2.gz PMXXLHLYUJRDAZ-UHFFFAOYSA-N 0 0 402.349 5.434 40 0 HKABRN Cc1ccc(C)c(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019973524 560877859 /nfs/dbraw/zinc/87/78/59/560877859.db2.gz QKSTUSKTEAIDOF-UHFFFAOYSA-N 0 0 415.606 5.407 40 0 HKABRN COC(=O)c1cc2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc2s1 ZINC000020025320 521918452 /nfs/dbraw/zinc/91/84/52/521918452.db2.gz NADHXPUIUUQDNH-UHFFFAOYSA-N 0 0 401.487 5.459 40 0 HKABRN COc1cccc(OC)c1/C=C/C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020030300 558324060 /nfs/dbraw/zinc/32/40/60/558324060.db2.gz HSAXUYKRAOLYKF-VOTSOKGWSA-N 0 0 419.321 5.393 40 0 HKABRN CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1C(C)C ZINC000020034376 523222331 /nfs/dbraw/zinc/22/23/31/523222331.db2.gz QULJTRUIAKNKIB-UHFFFAOYSA-N 0 0 410.568 5.343 40 0 HKABRN Cc1ccc([C@@H](NC(=O)c2ccccc2SCc2ccccc2)c2ccccc2)cc1 ZINC000020035456 525771753 /nfs/dbraw/zinc/77/17/53/525771753.db2.gz NKOWJHFZSMVOHO-MHZLTWQESA-N 0 0 423.581 6.807 40 0 HKABRN Cc1ccc([C@H](NC(=O)c2ccccc2SCc2ccccc2)c2ccccc2)cc1 ZINC000020035460 558324579 /nfs/dbraw/zinc/32/45/79/558324579.db2.gz NKOWJHFZSMVOHO-HHHXNRCGSA-N 0 0 423.581 6.807 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000020035565 558324982 /nfs/dbraw/zinc/32/49/82/558324982.db2.gz CBNSSYDHDKSQGO-OAQYLSRUSA-N 0 0 413.970 5.700 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000020035568 558324883 /nfs/dbraw/zinc/32/48/83/558324883.db2.gz CBNSSYDHDKSQGO-NRFANRHFSA-N 0 0 413.970 5.700 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020035802 523045652 /nfs/dbraw/zinc/04/56/52/523045652.db2.gz WZCIVRGFZVQOPN-LJQANCHMSA-N 0 0 407.819 6.308 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020035804 558324888 /nfs/dbraw/zinc/32/48/88/558324888.db2.gz WZCIVRGFZVQOPN-IBGZPJMESA-N 0 0 407.819 6.308 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1Cl ZINC000020036290 558324987 /nfs/dbraw/zinc/32/49/87/558324987.db2.gz LBYXGWADBXLDGA-OAQYLSRUSA-N 0 0 411.885 5.466 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1Cl ZINC000020036294 521511228 /nfs/dbraw/zinc/51/12/28/521511228.db2.gz LBYXGWADBXLDGA-NRFANRHFSA-N 0 0 411.885 5.466 40 0 HKABRN COc1ccc(CCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1OC ZINC000020037156 558325228 /nfs/dbraw/zinc/32/52/28/558325228.db2.gz QVSSVPCCZOWOBD-UHFFFAOYSA-N 0 0 419.565 5.743 40 0 HKABRN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000020037735 527224618 /nfs/dbraw/zinc/22/46/18/527224618.db2.gz AQWXNOMVNNEULM-UHFFFAOYSA-N 0 0 402.519 5.358 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1cccc(Br)c1 ZINC000020037811 558325342 /nfs/dbraw/zinc/32/53/42/558325342.db2.gz KPEJNFCVEZLTCT-UHFFFAOYSA-N 0 0 405.144 5.628 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)/C=C/c3ccccc3Cl)c2)cc1 ZINC000020038360 519022968 /nfs/dbraw/zinc/02/29/68/519022968.db2.gz OGAHLBSKOLMWPJ-DTQAZKPQSA-N 0 0 417.936 6.520 40 0 HKABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020038383 523052664 /nfs/dbraw/zinc/05/26/64/523052664.db2.gz PUFWHATVTMVYBN-XMMPIXPASA-N 0 0 402.494 5.619 40 0 HKABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020038386 522887273 /nfs/dbraw/zinc/88/72/73/522887273.db2.gz PUFWHATVTMVYBN-DEOSSOPVSA-N 0 0 402.494 5.619 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000020038823 558325415 /nfs/dbraw/zinc/32/54/15/558325415.db2.gz BYSROGKSLBVEDU-RUZDIDTESA-N 0 0 411.501 6.215 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000020038826 558325412 /nfs/dbraw/zinc/32/54/12/558325412.db2.gz BYSROGKSLBVEDU-VWLOTQADSA-N 0 0 411.501 6.215 40 0 HKABRN COc1ccc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC ZINC000020039885 558325635 /nfs/dbraw/zinc/32/56/35/558325635.db2.gz LPNVRGBYCNAAGJ-UHFFFAOYSA-N 0 0 405.825 5.107 40 0 HKABRN CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc2ccccc21 ZINC000020039935 520686720 /nfs/dbraw/zinc/68/67/20/520686720.db2.gz CXCFNPQZNBBVSP-JOCHJYFZSA-N 0 0 404.510 5.166 40 0 HKABRN CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc2ccccc21 ZINC000020039938 558325629 /nfs/dbraw/zinc/32/56/29/558325629.db2.gz CXCFNPQZNBBVSP-QFIPXVFZSA-N 0 0 404.510 5.166 40 0 HKABRN C[C@@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc(C(C)(C)C)cc1 ZINC000020040207 558325920 /nfs/dbraw/zinc/32/59/20/558325920.db2.gz JDPKMWCVLPPBLQ-CQSZACIVSA-N 0 0 410.410 6.402 40 0 HKABRN C[C@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc(C(C)(C)C)cc1 ZINC000020040210 524977113 /nfs/dbraw/zinc/97/71/13/524977113.db2.gz JDPKMWCVLPPBLQ-AWEZNQCLSA-N 0 0 410.410 6.402 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)/C=C/c3ccc(Cl)cc3)c2)cc1 ZINC000020040239 558325926 /nfs/dbraw/zinc/32/59/26/558325926.db2.gz QOCWGMQXOOGEIZ-CXUHLZMHSA-N 0 0 417.936 6.520 40 0 HKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000020040296 519847893 /nfs/dbraw/zinc/84/78/93/519847893.db2.gz IHQNEDUNGWKXKM-KRWDZBQOSA-N 0 0 409.913 6.662 40 0 HKABRN CC(C)c1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000020040299 558325938 /nfs/dbraw/zinc/32/59/38/558325938.db2.gz IHQNEDUNGWKXKM-QGZVFWFLSA-N 0 0 409.913 6.662 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCc2ccccc2-n2ccnc2C)c2ccccc2)cc1 ZINC000020040438 558325848 /nfs/dbraw/zinc/32/58/48/558325848.db2.gz KNYSHRBWNMPQCU-XIEYBQDHSA-N 0 0 423.516 5.046 40 0 HKABRN COc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000020040624 525135453 /nfs/dbraw/zinc/13/54/53/525135453.db2.gz REZNAYAKDSICGX-CQSZACIVSA-N 0 0 420.347 5.011 40 0 HKABRN COc1ccc([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000020040627 558325941 /nfs/dbraw/zinc/32/59/41/558325941.db2.gz REZNAYAKDSICGX-AWEZNQCLSA-N 0 0 420.347 5.011 40 0 HKABRN COc1ccc(/C=C/C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020040643 558325872 /nfs/dbraw/zinc/32/58/72/558325872.db2.gz IUSNVGFGQWGDOZ-LICLKQGHSA-N 0 0 413.517 5.876 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 ZINC000020040755 558325904 /nfs/dbraw/zinc/32/59/04/558325904.db2.gz SVBZRGKOFCDGRW-LJQANCHMSA-N 0 0 405.563 6.177 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 ZINC000020040758 521256535 /nfs/dbraw/zinc/25/65/35/521256535.db2.gz SVBZRGKOFCDGRW-IBGZPJMESA-N 0 0 405.563 6.177 40 0 HKABRN Cc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020041225 524298041 /nfs/dbraw/zinc/29/80/41/524298041.db2.gz WGXPYIBVACFRHZ-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 ZINC000020041300 558326102 /nfs/dbraw/zinc/32/61/02/558326102.db2.gz SPICBVBOTSEANE-AUUYWEPGSA-N 0 0 404.963 5.378 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)CC ZINC000020041303 558326119 /nfs/dbraw/zinc/32/61/19/558326119.db2.gz SPICBVBOTSEANE-IFXJQAMLSA-N 0 0 404.963 5.378 40 0 HKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Sc1ccc(Cl)cc1 ZINC000020041307 558326140 /nfs/dbraw/zinc/32/61/40/558326140.db2.gz SPICBVBOTSEANE-KUHUBIRLSA-N 0 0 404.963 5.378 40 0 HKABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Sc1ccc(Cl)cc1 ZINC000020041310 558326154 /nfs/dbraw/zinc/32/61/54/558326154.db2.gz SPICBVBOTSEANE-LIRRHRJNSA-N 0 0 404.963 5.378 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)sc2c1CCCC2 ZINC000020041536 521410527 /nfs/dbraw/zinc/41/05/27/521410527.db2.gz FWQVKYWMBYOJEN-OAHLLOKOSA-N 0 0 415.555 5.333 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2C(C)C)sc2c1CCCC2 ZINC000020041539 521410716 /nfs/dbraw/zinc/41/07/16/521410716.db2.gz FWQVKYWMBYOJEN-HNNXBMFYSA-N 0 0 415.555 5.333 40 0 HKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(I)cc1C ZINC000020041625 558326070 /nfs/dbraw/zinc/32/60/70/558326070.db2.gz ZIDLCMFLUMLMEL-GOSISDBHSA-N 0 0 423.294 5.013 40 0 HKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(I)cc1C ZINC000020041628 558326064 /nfs/dbraw/zinc/32/60/64/558326064.db2.gz ZIDLCMFLUMLMEL-SFHVURJKSA-N 0 0 423.294 5.013 40 0 HKABRN Cc1ccc(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020041752 558326143 /nfs/dbraw/zinc/32/61/43/558326143.db2.gz RUPWJHMXZMZQDG-UHFFFAOYSA-N 0 0 400.522 5.726 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)NCCCc1ccc(Cl)cc1 ZINC000020042097 558326328 /nfs/dbraw/zinc/32/63/28/558326328.db2.gz XUIBQUKMFWVNRY-UHFFFAOYSA-N 0 0 402.774 5.629 40 0 HKABRN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(OCCSc2ccccc2)cc1 ZINC000020042627 558326305 /nfs/dbraw/zinc/32/63/05/558326305.db2.gz GVTQXDDATBIJDN-UHFFFAOYSA-N 0 0 407.579 5.556 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1Cl ZINC000020042734 558326483 /nfs/dbraw/zinc/32/64/83/558326483.db2.gz JOZJKBKBUGAYFY-UHFFFAOYSA-N 0 0 424.909 6.352 40 0 HKABRN Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 ZINC000020043034 558326493 /nfs/dbraw/zinc/32/64/93/558326493.db2.gz WUIPTYVCIGOPPY-NLFFAJNJSA-N 0 0 401.550 5.966 40 0 HKABRN Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 ZINC000020043037 525769641 /nfs/dbraw/zinc/76/96/41/525769641.db2.gz WUIPTYVCIGOPPY-CPJSRVTESA-N 0 0 401.550 5.966 40 0 HKABRN Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 ZINC000020043039 558326496 /nfs/dbraw/zinc/32/64/96/558326496.db2.gz WUIPTYVCIGOPPY-CJFMBICVSA-N 0 0 401.550 5.966 40 0 HKABRN Cc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 ZINC000020043042 558326553 /nfs/dbraw/zinc/32/65/53/558326553.db2.gz WUIPTYVCIGOPPY-NBGIEHNGSA-N 0 0 401.550 5.966 40 0 HKABRN Cc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1C ZINC000020043280 558326567 /nfs/dbraw/zinc/32/65/67/558326567.db2.gz RDEGHHBTLLVKGB-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020043343 523080450 /nfs/dbraw/zinc/08/04/50/523080450.db2.gz XKOACZWTKQCTHK-HXUWFJFHSA-N 0 0 423.409 5.521 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020043346 558326476 /nfs/dbraw/zinc/32/64/76/558326476.db2.gz XKOACZWTKQCTHK-FQEVSTJZSA-N 0 0 423.409 5.521 40 0 HKABRN CC(C)Oc1ccc(CNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000020043431 558326557 /nfs/dbraw/zinc/32/65/57/558326557.db2.gz UERYSLDOTPJIIX-UHFFFAOYSA-N 0 0 421.562 5.575 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)c(Cl)c1 ZINC000020043886 558326771 /nfs/dbraw/zinc/32/67/71/558326771.db2.gz NEAGMUNNYVZRGG-UHFFFAOYSA-N 0 0 409.869 5.348 40 0 HKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000020043955 523053013 /nfs/dbraw/zinc/05/30/13/523053013.db2.gz FYWIKSZHTMTVFG-JOCHJYFZSA-N 0 0 422.912 5.066 40 0 HKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000020043958 558326769 /nfs/dbraw/zinc/32/67/69/558326769.db2.gz FYWIKSZHTMTVFG-QFIPXVFZSA-N 0 0 422.912 5.066 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)cc2)cc1 ZINC000020044177 525662340 /nfs/dbraw/zinc/66/23/40/525662340.db2.gz HLPLKHAOBFOWPZ-UHFFFAOYSA-N 0 0 413.546 5.403 40 0 HKABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 ZINC000020044191 526238225 /nfs/dbraw/zinc/23/82/25/526238225.db2.gz NHZUTGKLVFTQKT-SFHVURJKSA-N 0 0 407.535 5.702 40 0 HKABRN COc1cccc(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 ZINC000020044193 558326766 /nfs/dbraw/zinc/32/67/66/558326766.db2.gz NHZUTGKLVFTQKT-GOSISDBHSA-N 0 0 407.535 5.702 40 0 HKABRN COc1ccc(CN(C)C(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000020044244 558326790 /nfs/dbraw/zinc/32/67/90/558326790.db2.gz NILZUWOJCWLENK-UHFFFAOYSA-N 0 0 407.535 5.139 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c(Cl)c1 ZINC000020044276 558326774 /nfs/dbraw/zinc/32/67/74/558326774.db2.gz XRZDZPFNMYOAGK-CYBMUJFWSA-N 0 0 410.297 5.193 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c(Cl)c1 ZINC000020044279 558326799 /nfs/dbraw/zinc/32/67/99/558326799.db2.gz XRZDZPFNMYOAGK-ZDUSSCGKSA-N 0 0 410.297 5.193 40 0 HKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020044296 523037707 /nfs/dbraw/zinc/03/77/07/523037707.db2.gz QGJJHKBVHDHDNH-XMMPIXPASA-N 0 0 400.522 6.227 40 0 HKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020044299 558326776 /nfs/dbraw/zinc/32/67/76/558326776.db2.gz QGJJHKBVHDHDNH-DEOSSOPVSA-N 0 0 400.522 6.227 40 0 HKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020044409 519847934 /nfs/dbraw/zinc/84/79/34/519847934.db2.gz WZZYHEUSZREZMX-KRWDZBQOSA-N 0 0 421.924 6.100 40 0 HKABRN CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020044412 558326992 /nfs/dbraw/zinc/32/69/92/558326992.db2.gz WZZYHEUSZREZMX-QGZVFWFLSA-N 0 0 421.924 6.100 40 0 HKABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020044575 558326977 /nfs/dbraw/zinc/32/69/77/558326977.db2.gz GYPVDZIDPITKGV-YSRWDZFWSA-N 0 0 407.529 6.090 40 0 HKABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020044578 558326932 /nfs/dbraw/zinc/32/69/32/558326932.db2.gz GYPVDZIDPITKGV-XJVZSZGSSA-N 0 0 407.529 6.090 40 0 HKABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000020044632 527164417 /nfs/dbraw/zinc/16/44/17/527164417.db2.gz ZFPWCRBBJUVDQG-UHFFFAOYSA-N 0 0 417.452 6.129 40 0 HKABRN Cc1ccc([C@@H](NC(=O)c2ccccc2CCc2ccccc2)c2ccccc2)cc1 ZINC000020044657 558326944 /nfs/dbraw/zinc/32/69/44/558326944.db2.gz OCVUKNKXZUGCCT-NDEPHWFRSA-N 0 0 405.541 6.300 40 0 HKABRN Cc1ccc([C@H](NC(=O)c2ccccc2CCc2ccccc2)c2ccccc2)cc1 ZINC000020044660 558327013 /nfs/dbraw/zinc/32/70/13/558327013.db2.gz OCVUKNKXZUGCCT-MUUNZHRXSA-N 0 0 405.541 6.300 40 0 HKABRN CCSc1ccccc1NC(=O)COc1ccc2ccccc2c1Br ZINC000020044683 521775887 /nfs/dbraw/zinc/77/58/87/521775887.db2.gz CNHSWRZROGZCKF-UHFFFAOYSA-N 0 0 416.340 5.732 40 0 HKABRN O=C(Nc1ccc(Br)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020044833 558327017 /nfs/dbraw/zinc/32/70/17/558327017.db2.gz BDCGERAEVQOQDO-UHFFFAOYSA-N 0 0 421.338 5.654 40 0 HKABRN Cc1nccn1-c1ccccc1CNC(=O)CSCc1c(Cl)cccc1Cl ZINC000020044841 558327009 /nfs/dbraw/zinc/32/70/09/558327009.db2.gz ZEVFXEGDKWKWQG-UHFFFAOYSA-N 0 0 420.365 5.037 40 0 HKABRN O=C(NCc1ccc(-n2ccnc2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000020045408 558327229 /nfs/dbraw/zinc/32/72/29/558327229.db2.gz JSHHUUBSOZSCBJ-XQNSMLJCSA-N 0 0 413.908 5.383 40 0 HKABRN CC[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(OC)cc1 ZINC000020045495 558327223 /nfs/dbraw/zinc/32/72/23/558327223.db2.gz ARFMXZOJVHLCHD-HSZRJFAPSA-N 0 0 409.913 5.809 40 0 HKABRN CC[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(OC)cc1 ZINC000020045499 558327228 /nfs/dbraw/zinc/32/72/28/558327228.db2.gz ARFMXZOJVHLCHD-QHCPKHFHSA-N 0 0 409.913 5.809 40 0 HKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020045595 558327234 /nfs/dbraw/zinc/32/72/34/558327234.db2.gz UDMNINQFPHIBSD-JOCHJYFZSA-N 0 0 421.924 5.984 40 0 HKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020045598 558327232 /nfs/dbraw/zinc/32/72/32/558327232.db2.gz UDMNINQFPHIBSD-QFIPXVFZSA-N 0 0 421.924 5.984 40 0 HKABRN O=S(=O)(NCCSc1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000020045824 558327402 /nfs/dbraw/zinc/32/74/02/558327402.db2.gz ZIRPSDXHTNCDRH-UHFFFAOYSA-N 0 0 419.955 5.203 40 0 HKABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000020046127 558327325 /nfs/dbraw/zinc/32/73/25/558327325.db2.gz IPLDJYPNRFVMCO-HSZRJFAPSA-N 0 0 407.535 5.784 40 0 HKABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000020046131 558327308 /nfs/dbraw/zinc/32/73/08/558327308.db2.gz IPLDJYPNRFVMCO-QHCPKHFHSA-N 0 0 407.535 5.784 40 0 HKABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020046220 558327388 /nfs/dbraw/zinc/32/73/88/558327388.db2.gz HXVLSVPUJPJWGO-OAQYLSRUSA-N 0 0 407.897 5.676 40 0 HKABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020046223 522895656 /nfs/dbraw/zinc/89/56/56/522895656.db2.gz HXVLSVPUJPJWGO-NRFANRHFSA-N 0 0 407.897 5.676 40 0 HKABRN Cc1cc(C)cc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000020046227 558327323 /nfs/dbraw/zinc/32/73/23/558327323.db2.gz CGVXEMUQRLMXDR-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN C[C@@H](Sc1ccccc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000020046355 558327391 /nfs/dbraw/zinc/32/73/91/558327391.db2.gz VIRLSPAGTJMTRV-GOSISDBHSA-N 0 0 417.574 6.334 40 0 HKABRN C[C@H](Sc1ccccc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000020046359 558327404 /nfs/dbraw/zinc/32/74/04/558327404.db2.gz VIRLSPAGTJMTRV-SFHVURJKSA-N 0 0 417.574 6.334 40 0 HKABRN CCOc1ccc(CCC(=O)NCCSCc2ccccc2Cl)cc1OCC ZINC000020046866 520943741 /nfs/dbraw/zinc/94/37/41/520943741.db2.gz DXFJIPSFJFEXFQ-UHFFFAOYSA-N 0 0 421.990 5.120 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)CSCc1ccc(F)cc1 ZINC000020047023 524818668 /nfs/dbraw/zinc/81/86/68/524818668.db2.gz ZYRYNJCHONZGKT-UHFFFAOYSA-N 0 0 411.567 6.298 40 0 HKABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020047026 527164584 /nfs/dbraw/zinc/16/45/84/527164584.db2.gz PAVAEMUVUOIZLF-UHFFFAOYSA-N 0 0 410.439 5.911 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020048341 558328130 /nfs/dbraw/zinc/32/81/30/558328130.db2.gz UYQFLOVFPYLNMP-UHFFFAOYSA-N 0 0 422.550 5.346 40 0 HKABRN CC(C)C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000020048430 558327980 /nfs/dbraw/zinc/32/79/80/558327980.db2.gz LFHMWZSOAZWYOI-HSZRJFAPSA-N 0 0 422.550 5.005 40 0 HKABRN CC(C)C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000020048433 558328003 /nfs/dbraw/zinc/32/80/03/558328003.db2.gz LFHMWZSOAZWYOI-QHCPKHFHSA-N 0 0 422.550 5.005 40 0 HKABRN Cc1ccccc1[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccccc1 ZINC000020048811 558327987 /nfs/dbraw/zinc/32/79/87/558327987.db2.gz FOPLFFYHVQPLOX-MHZLTWQESA-N 0 0 423.581 6.807 40 0 HKABRN Cc1ccccc1[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccccc1 ZINC000020048814 525430291 /nfs/dbraw/zinc/43/02/91/525430291.db2.gz FOPLFFYHVQPLOX-HHHXNRCGSA-N 0 0 423.581 6.807 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(OCCSc2ccccc2)cc1 ZINC000020048843 558328078 /nfs/dbraw/zinc/32/80/78/558328078.db2.gz ZIQGUDZDMXUVCH-UHFFFAOYSA-N 0 0 418.345 6.417 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020049469 558328264 /nfs/dbraw/zinc/32/82/64/558328264.db2.gz QYJUDZAPFYDSAV-OAHLLOKOSA-N 0 0 408.272 6.522 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020049472 558328205 /nfs/dbraw/zinc/32/82/05/558328205.db2.gz QYJUDZAPFYDSAV-HNNXBMFYSA-N 0 0 408.272 6.522 40 0 HKABRN COc1ccc(SCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000020049748 558328229 /nfs/dbraw/zinc/32/82/29/558328229.db2.gz BYLDJHNIEFIOGP-UHFFFAOYSA-N 0 0 416.395 5.144 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1 ZINC000020049759 558328210 /nfs/dbraw/zinc/32/82/10/558328210.db2.gz OIGIDCYWYZHFFZ-HSZRJFAPSA-N 0 0 405.494 5.593 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1 ZINC000020049762 558328202 /nfs/dbraw/zinc/32/82/02/558328202.db2.gz OIGIDCYWYZHFFZ-QHCPKHFHSA-N 0 0 405.494 5.593 40 0 HKABRN O=C(NCCSCc1ccccc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020050003 526371516 /nfs/dbraw/zinc/37/15/16/526371516.db2.gz OBGVVKNDOLLXLD-UHFFFAOYSA-N 0 0 416.590 5.303 40 0 HKABRN Cc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020050473 558328446 /nfs/dbraw/zinc/32/84/46/558328446.db2.gz QROJQJHCFBZVMI-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN COc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1OC ZINC000020050533 558328476 /nfs/dbraw/zinc/32/84/76/558328476.db2.gz DISRFOYZJNKWJR-QGZVFWFLSA-N 0 0 407.535 5.487 40 0 HKABRN COc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1OC ZINC000020050536 558328500 /nfs/dbraw/zinc/32/85/00/558328500.db2.gz DISRFOYZJNKWJR-KRWDZBQOSA-N 0 0 407.535 5.487 40 0 HKABRN COC(=O)c1cc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000020050602 558328457 /nfs/dbraw/zinc/32/84/57/558328457.db2.gz LAWOFPOLKWWYME-UHFFFAOYSA-N 0 0 418.729 5.305 40 0 HKABRN Cc1cccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1C ZINC000020050741 558328468 /nfs/dbraw/zinc/32/84/68/558328468.db2.gz QTEIUILQYRTJKO-OAHLLOKOSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1cccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1C ZINC000020050743 558328496 /nfs/dbraw/zinc/32/84/96/558328496.db2.gz QTEIUILQYRTJKO-HNNXBMFYSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1cccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1C ZINC000020050805 558328488 /nfs/dbraw/zinc/32/84/88/558328488.db2.gz WMUXYGUXCHDVOP-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)CSc3ccc(OC)c(OC)c3)ccc21 ZINC000020050864 558328503 /nfs/dbraw/zinc/32/85/03/558328503.db2.gz FJKMJTGXEZFDIX-UHFFFAOYSA-N 0 0 420.534 5.562 40 0 HKABRN COc1ccc(CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC ZINC000020051016 558328556 /nfs/dbraw/zinc/32/85/56/558328556.db2.gz WOYJRYFAFCFRBD-UHFFFAOYSA-N 0 0 423.896 5.160 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000020051072 558328568 /nfs/dbraw/zinc/32/85/68/558328568.db2.gz XYQDAHCNWIEDNY-UHFFFAOYSA-N 0 0 408.523 5.037 40 0 HKABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(CCc1ccccc1)Cc1cccs1 ZINC000020098715 560880464 /nfs/dbraw/zinc/88/04/64/560880464.db2.gz ANLWGUIYOJJBRT-OAQYLSRUSA-N 0 0 411.619 5.322 40 0 HKABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(CCc1ccccc1)Cc1cccs1 ZINC000020098717 560880458 /nfs/dbraw/zinc/88/04/58/560880458.db2.gz ANLWGUIYOJJBRT-NRFANRHFSA-N 0 0 411.619 5.322 40 0 HKABRN CC(C)(C)n1nnnc1[C@H](c1cccs1)N(Cc1cccs1)Cc1ccccc1 ZINC000020098742 560880449 /nfs/dbraw/zinc/88/04/49/560880449.db2.gz BDNWOZSOSSNPIR-FQEVSTJZSA-N 0 0 423.611 5.343 40 0 HKABRN CC(C)(C)n1nnnc1[C@@H](c1cccs1)N(Cc1cccs1)Cc1ccccc1 ZINC000020098744 560880481 /nfs/dbraw/zinc/88/04/81/560880481.db2.gz BDNWOZSOSSNPIR-HXUWFJFHSA-N 0 0 423.611 5.343 40 0 HKABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000020104391 525939999 /nfs/dbraw/zinc/93/99/99/525939999.db2.gz CXXWWIGWNFNCHF-GFCCVEGCSA-N 0 0 418.773 5.464 40 0 HKABRN C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000020104393 558332905 /nfs/dbraw/zinc/33/29/05/558332905.db2.gz CXXWWIGWNFNCHF-LBPRGKRZSA-N 0 0 418.773 5.464 40 0 HKABRN Cc1ccc(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C ZINC000020104631 558332844 /nfs/dbraw/zinc/33/28/44/558332844.db2.gz NKEVBZJUJKJNKI-UHFFFAOYSA-N 0 0 414.549 6.034 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000020104667 558332879 /nfs/dbraw/zinc/33/28/79/558332879.db2.gz XHKBLHHYKNKDTK-UHFFFAOYSA-N 0 0 410.473 5.031 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000020104740 558332948 /nfs/dbraw/zinc/33/29/48/558332948.db2.gz WMYFSLQTONXSAA-OAHLLOKOSA-N 0 0 409.165 6.810 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000020104742 558332965 /nfs/dbraw/zinc/33/29/65/558332965.db2.gz WMYFSLQTONXSAA-HNNXBMFYSA-N 0 0 409.165 6.810 40 0 HKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000020105219 558332978 /nfs/dbraw/zinc/33/29/78/558332978.db2.gz YVNNZDRGTMVFJW-HXUWFJFHSA-N 0 0 416.304 6.582 40 0 HKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000020105221 558332956 /nfs/dbraw/zinc/33/29/56/558332956.db2.gz YVNNZDRGTMVFJW-FQEVSTJZSA-N 0 0 416.304 6.582 40 0 HKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000020105329 519847932 /nfs/dbraw/zinc/84/79/32/519847932.db2.gz NVIJDPXXRGWOPH-IBGZPJMESA-N 0 0 421.512 5.612 40 0 HKABRN CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000020105330 558333223 /nfs/dbraw/zinc/33/32/23/558333223.db2.gz NVIJDPXXRGWOPH-LJQANCHMSA-N 0 0 421.512 5.612 40 0 HKABRN COc1ccc([C@@H](C)NC(=O)c2ccccc2SCc2ccccc2)cc1OC ZINC000020105524 558333276 /nfs/dbraw/zinc/33/32/76/558333276.db2.gz BXVIVQJBYSQMPG-QGZVFWFLSA-N 0 0 407.535 5.487 40 0 HKABRN COc1ccc([C@H](C)NC(=O)c2ccccc2SCc2ccccc2)cc1OC ZINC000020105525 558333184 /nfs/dbraw/zinc/33/31/84/558333184.db2.gz BXVIVQJBYSQMPG-KRWDZBQOSA-N 0 0 407.535 5.487 40 0 HKABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020105580 558333249 /nfs/dbraw/zinc/33/32/49/558333249.db2.gz WUXJYTGVHQRIHV-ASXFNGKXSA-N 0 0 409.957 6.214 40 0 HKABRN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020105581 558333284 /nfs/dbraw/zinc/33/32/84/558333284.db2.gz WUXJYTGVHQRIHV-DUXBZUBYSA-N 0 0 409.957 6.214 40 0 HKABRN COC(=O)c1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1C ZINC000020105605 558333320 /nfs/dbraw/zinc/33/33/20/558333320.db2.gz DFUOWZYZEORXMG-UHFFFAOYSA-N 0 0 421.518 5.205 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC ZINC000020105762 525106484 /nfs/dbraw/zinc/10/64/84/525106484.db2.gz NEVQHRBHOSYOSJ-JTQLQIEISA-N 0 0 419.852 5.495 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC ZINC000020105764 558333267 /nfs/dbraw/zinc/33/32/67/558333267.db2.gz NEVQHRBHOSYOSJ-SNVBAGLBSA-N 0 0 419.852 5.495 40 0 HKABRN Cc1ccc([C@@H](NC(=O)c2ccc(CSc3ccccc3)cc2)c2ccccc2)cc1 ZINC000020105854 558333219 /nfs/dbraw/zinc/33/32/19/558333219.db2.gz NGZCKASINAEOLF-MHZLTWQESA-N 0 0 423.581 6.807 40 0 HKABRN Cc1ccc([C@H](NC(=O)c2ccc(CSc3ccccc3)cc2)c2ccccc2)cc1 ZINC000020105856 558333280 /nfs/dbraw/zinc/33/32/80/558333280.db2.gz NGZCKASINAEOLF-HHHXNRCGSA-N 0 0 423.581 6.807 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000020105872 558333256 /nfs/dbraw/zinc/33/32/56/558333256.db2.gz IMSCZIYSUMTLPJ-XMMPIXPASA-N 0 0 416.521 5.262 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000020105874 522878428 /nfs/dbraw/zinc/87/84/28/522878428.db2.gz IMSCZIYSUMTLPJ-DEOSSOPVSA-N 0 0 416.521 5.262 40 0 HKABRN CCOc1ccc(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OCC ZINC000020105885 558333259 /nfs/dbraw/zinc/33/32/59/558333259.db2.gz LIMVKNVGMSFIAS-UHFFFAOYSA-N 0 0 415.839 5.728 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1Cl ZINC000020106166 558333505 /nfs/dbraw/zinc/33/35/05/558333505.db2.gz SKDNUGMEDBPYHP-GOSISDBHSA-N 0 0 414.423 5.914 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1Cl ZINC000020106168 522918908 /nfs/dbraw/zinc/91/89/08/522918908.db2.gz SKDNUGMEDBPYHP-SFHVURJKSA-N 0 0 414.423 5.914 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000020106321 523060855 /nfs/dbraw/zinc/06/08/55/523060855.db2.gz XRGAEQKMVXJPMO-UHFFFAOYSA-N 0 0 402.494 5.163 40 0 HKABRN CCSc1ccccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000020106571 558333702 /nfs/dbraw/zinc/33/37/02/558333702.db2.gz GSLUHHHEOFBVAD-UHFFFAOYSA-N 0 0 413.995 6.997 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccccc1Cl ZINC000020106586 558333653 /nfs/dbraw/zinc/33/36/53/558333653.db2.gz OEYAXRPGTHFMMC-JOCHJYFZSA-N 0 0 413.970 5.700 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccccc1Cl ZINC000020106588 522876672 /nfs/dbraw/zinc/87/66/72/522876672.db2.gz OEYAXRPGTHFMMC-QFIPXVFZSA-N 0 0 413.970 5.700 40 0 HKABRN COc1ccc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OC ZINC000020106745 525100725 /nfs/dbraw/zinc/10/07/25/525100725.db2.gz FJWYFEDEOPFXTP-UHFFFAOYSA-N 0 0 406.718 5.395 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 ZINC000020106780 558333776 /nfs/dbraw/zinc/33/37/76/558333776.db2.gz UVBTZKVGINAXQH-LEWJYISDSA-N 0 0 405.991 6.123 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 ZINC000020106782 558333694 /nfs/dbraw/zinc/33/36/94/558333694.db2.gz UVBTZKVGINAXQH-SFTDATJTSA-N 0 0 405.991 6.123 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 ZINC000020106784 558333657 /nfs/dbraw/zinc/33/36/57/558333657.db2.gz UVBTZKVGINAXQH-NHCUHLMSSA-N 0 0 405.991 6.123 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 ZINC000020106786 522918525 /nfs/dbraw/zinc/91/85/25/522918525.db2.gz UVBTZKVGINAXQH-RTWAWAEBSA-N 0 0 405.991 6.123 40 0 HKABRN Cc1cccc(CSCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 ZINC000020106852 558333762 /nfs/dbraw/zinc/33/37/62/558333762.db2.gz JHTUPDOQCBJHNL-UHFFFAOYSA-N 0 0 416.590 5.221 40 0 HKABRN O=C(Nc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020106876 558333755 /nfs/dbraw/zinc/33/37/55/558333755.db2.gz OBADIBHLWWYOHB-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000020106987 558333706 /nfs/dbraw/zinc/33/37/06/558333706.db2.gz HANDVOLTPPXOHB-IBGZPJMESA-N 0 0 405.563 6.508 40 0 HKABRN CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000020106989 558333918 /nfs/dbraw/zinc/33/39/18/558333918.db2.gz HANDVOLTPPXOHB-LJQANCHMSA-N 0 0 405.563 6.508 40 0 HKABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000020107001 525940772 /nfs/dbraw/zinc/94/07/72/525940772.db2.gz BBDANTULDHHWMQ-GFCCVEGCSA-N 0 0 418.773 5.464 40 0 HKABRN C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000020107003 558333919 /nfs/dbraw/zinc/33/39/19/558333919.db2.gz BBDANTULDHHWMQ-LBPRGKRZSA-N 0 0 418.773 5.464 40 0 HKABRN O=C(Nc1ccccc1Cl)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020107567 558334189 /nfs/dbraw/zinc/33/41/89/558334189.db2.gz VNVVIJZKKCMCPM-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN O=S(=O)(Nc1cccc(Br)c1)c1ccc(Oc2ccccc2)cc1 ZINC000020107777 558334128 /nfs/dbraw/zinc/33/41/28/558334128.db2.gz OKBMDQMHGPBMBO-UHFFFAOYSA-N 0 0 404.285 5.042 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000020107835 523083013 /nfs/dbraw/zinc/08/30/13/523083013.db2.gz ZQJRFHQIOMKHQV-JOCHJYFZSA-N 0 0 411.954 6.428 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000020107836 558334114 /nfs/dbraw/zinc/33/41/14/558334114.db2.gz ZQJRFHQIOMKHQV-QFIPXVFZSA-N 0 0 411.954 6.428 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc3ccccc32)c(Cl)c1 ZINC000020107867 558334125 /nfs/dbraw/zinc/33/41/25/558334125.db2.gz VBDHPXGVAHOLFF-HXUWFJFHSA-N 0 0 411.885 5.466 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc3ccccc32)c(Cl)c1 ZINC000020107868 558334083 /nfs/dbraw/zinc/33/40/83/558334083.db2.gz VBDHPXGVAHOLFF-FQEVSTJZSA-N 0 0 411.885 5.466 40 0 HKABRN COc1cc2ccccc2cc1C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000020107897 558334111 /nfs/dbraw/zinc/33/41/11/558334111.db2.gz LEOIBQCDCWNRFU-UHFFFAOYSA-N 0 0 420.361 5.818 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)NCc3ccccc3-n3ccnc3)cc2)cc1 ZINC000020107980 558334183 /nfs/dbraw/zinc/33/41/83/558334183.db2.gz MUWVBPPQRXQKTF-UHFFFAOYSA-N 0 0 413.546 5.403 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCSCc1c(F)cccc1Cl ZINC000020108088 558334280 /nfs/dbraw/zinc/33/42/80/558334280.db2.gz VSPKRRHKXDVOAC-LJQANCHMSA-N 0 0 409.954 5.303 40 0 HKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)NCCSCc1c(F)cccc1Cl ZINC000020108090 522885101 /nfs/dbraw/zinc/88/51/01/522885101.db2.gz VSPKRRHKXDVOAC-IBGZPJMESA-N 0 0 409.954 5.303 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(Br)cc1F ZINC000020108312 558334282 /nfs/dbraw/zinc/33/42/82/558334282.db2.gz HSWDZAAMNKVJFV-UHFFFAOYSA-N 0 0 423.134 5.767 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020108342 523050611 /nfs/dbraw/zinc/05/06/11/523050611.db2.gz MLNADBBMFXXMPG-XMMPIXPASA-N 0 0 400.522 6.227 40 0 HKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020108344 558334289 /nfs/dbraw/zinc/33/42/89/558334289.db2.gz MLNADBBMFXXMPG-DEOSSOPVSA-N 0 0 400.522 6.227 40 0 HKABRN Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c1C ZINC000020108442 558334301 /nfs/dbraw/zinc/33/43/01/558334301.db2.gz NHYMPZASIKMSFK-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 ZINC000020108541 558334263 /nfs/dbraw/zinc/33/42/63/558334263.db2.gz VXFOOHFNOBHHTE-HXUWFJFHSA-N 0 0 421.512 5.414 40 0 HKABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 ZINC000020108544 558334308 /nfs/dbraw/zinc/33/43/08/558334308.db2.gz VXFOOHFNOBHHTE-FQEVSTJZSA-N 0 0 421.512 5.414 40 0 HKABRN Cc1ccccc1[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000020108601 558334277 /nfs/dbraw/zinc/33/42/77/558334277.db2.gz TUPFVJWEFWEXTQ-MHZLTWQESA-N 0 0 407.513 6.093 40 0 HKABRN Cc1ccccc1[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000020108603 558334320 /nfs/dbraw/zinc/33/43/20/558334320.db2.gz TUPFVJWEFWEXTQ-HHHXNRCGSA-N 0 0 407.513 6.093 40 0 HKABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020108713 558334572 /nfs/dbraw/zinc/33/45/72/558334572.db2.gz JMIVBLJQHNROAD-INIZCTEOSA-N 0 0 407.897 5.539 40 0 HKABRN CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020108714 558334503 /nfs/dbraw/zinc/33/45/03/558334503.db2.gz JMIVBLJQHNROAD-MRXNPFEDSA-N 0 0 407.897 5.539 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1OC ZINC000020108715 558334567 /nfs/dbraw/zinc/33/45/67/558334567.db2.gz ODGPOVPAYNXBKP-UUOWRZLLSA-N 0 0 421.562 5.399 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1OC ZINC000020108716 558334514 /nfs/dbraw/zinc/33/45/14/558334514.db2.gz ODGPOVPAYNXBKP-KOSHJBKYSA-N 0 0 421.562 5.399 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1OC ZINC000020108717 558334539 /nfs/dbraw/zinc/33/45/39/558334539.db2.gz ODGPOVPAYNXBKP-MHECFPHRSA-N 0 0 421.562 5.399 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1OC ZINC000020108719 558334529 /nfs/dbraw/zinc/33/45/29/558334529.db2.gz ODGPOVPAYNXBKP-HOYKHHGWSA-N 0 0 421.562 5.399 40 0 HKABRN CC(C)Oc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020108838 558334550 /nfs/dbraw/zinc/33/45/50/558334550.db2.gz OMQDERDTOPHHAZ-UHFFFAOYSA-N 0 0 415.533 6.255 40 0 HKABRN CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 ZINC000020109056 520687667 /nfs/dbraw/zinc/68/76/67/520687667.db2.gz HPLCHKKYQGUIGZ-HSZRJFAPSA-N 0 0 404.510 5.166 40 0 HKABRN CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc2ccccc2c1 ZINC000020109057 520686784 /nfs/dbraw/zinc/68/67/84/520686784.db2.gz HPLCHKKYQGUIGZ-QHCPKHFHSA-N 0 0 404.510 5.166 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)c(C)c1 ZINC000020110141 558335159 /nfs/dbraw/zinc/33/51/59/558335159.db2.gz DTRQYSLOFQIIAY-INIZCTEOSA-N 0 0 404.348 5.446 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)c(C)c1 ZINC000020110142 558335181 /nfs/dbraw/zinc/33/51/81/558335181.db2.gz DTRQYSLOFQIIAY-MRXNPFEDSA-N 0 0 404.348 5.446 40 0 HKABRN Cc1ccccc1CS(=O)(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000020110253 525182368 /nfs/dbraw/zinc/18/23/68/525182368.db2.gz XCNXQFRONHCONX-UHFFFAOYSA-N 0 0 421.562 5.465 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000020110285 558335500 /nfs/dbraw/zinc/33/55/00/558335500.db2.gz IKXJHSHZYGRZKA-LJQANCHMSA-N 0 0 412.382 5.509 40 0 HKABRN CC[C@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000020110286 558335517 /nfs/dbraw/zinc/33/55/17/558335517.db2.gz IKXJHSHZYGRZKA-IBGZPJMESA-N 0 0 412.382 5.509 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cc1F ZINC000020110299 558335494 /nfs/dbraw/zinc/33/54/94/558335494.db2.gz ZSOLOIWRHBQNSX-LJQANCHMSA-N 0 0 402.263 5.538 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cc1F ZINC000020110300 558335496 /nfs/dbraw/zinc/33/54/96/558335496.db2.gz ZSOLOIWRHBQNSX-IBGZPJMESA-N 0 0 402.263 5.538 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC ZINC000020110321 558335466 /nfs/dbraw/zinc/33/54/66/558335466.db2.gz NCIRUYHULGMCQL-JTQLQIEISA-N 0 0 419.852 5.495 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC ZINC000020110322 558335498 /nfs/dbraw/zinc/33/54/98/558335498.db2.gz NCIRUYHULGMCQL-SNVBAGLBSA-N 0 0 419.852 5.495 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000020110373 524817463 /nfs/dbraw/zinc/81/74/63/524817463.db2.gz WIYJJLGNZZFSHY-FQEVSTJZSA-N 0 0 419.590 6.817 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000020110374 558335454 /nfs/dbraw/zinc/33/54/54/558335454.db2.gz WIYJJLGNZZFSHY-HXUWFJFHSA-N 0 0 419.590 6.817 40 0 HKABRN O=C(NCCSCc1ccccc1F)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020110378 558335476 /nfs/dbraw/zinc/33/54/76/558335476.db2.gz DMDHYYQMDTVRNP-UHFFFAOYSA-N 0 0 420.553 5.052 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000020110428 558335503 /nfs/dbraw/zinc/33/55/03/558335503.db2.gz RHXCOEXBYCMCCM-XMMPIXPASA-N 0 0 413.542 6.787 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000020110429 558335484 /nfs/dbraw/zinc/33/54/84/558335484.db2.gz RHXCOEXBYCMCCM-DEOSSOPVSA-N 0 0 413.542 6.787 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCSCc1ccccc1Cl ZINC000020110473 523054337 /nfs/dbraw/zinc/05/43/37/523054337.db2.gz FQTPLERDVGRLOP-OAQYLSRUSA-N 0 0 413.970 5.700 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCCSCc1ccccc1Cl ZINC000020110474 558335620 /nfs/dbraw/zinc/33/56/20/558335620.db2.gz FQTPLERDVGRLOP-NRFANRHFSA-N 0 0 413.970 5.700 40 0 HKABRN Cc1nccn1-c1ccccc1CNC(=O)N1c2ccccc2Sc2ccccc21 ZINC000020110552 558335702 /nfs/dbraw/zinc/33/57/02/558335702.db2.gz YHRHKOJEQISHEF-UHFFFAOYSA-N 0 0 412.518 5.693 40 0 HKABRN COc1ccc(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OC ZINC000020110599 558335728 /nfs/dbraw/zinc/33/57/28/558335728.db2.gz LYZHWAJUSYGRFC-UHFFFAOYSA-N 0 0 407.535 5.025 40 0 HKABRN CC(C)C[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccccc1 ZINC000020110628 558335718 /nfs/dbraw/zinc/33/57/18/558335718.db2.gz RGUZLPXQDUMSNE-LJQANCHMSA-N 0 0 406.389 5.586 40 0 HKABRN CC(C)C[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccccc1 ZINC000020110629 558335698 /nfs/dbraw/zinc/33/56/98/558335698.db2.gz RGUZLPXQDUMSNE-IBGZPJMESA-N 0 0 406.389 5.586 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C)c3)cc2Cl)cc1 ZINC000020110770 558335710 /nfs/dbraw/zinc/33/57/10/558335710.db2.gz OWHGAEORUWZPAF-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000020110789 558335694 /nfs/dbraw/zinc/33/56/94/558335694.db2.gz OPZWFPNEYOWRAY-UHFFFAOYSA-N 0 0 405.563 6.235 40 0 HKABRN CC(=O)Nc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000020110850 519725593 /nfs/dbraw/zinc/72/55/93/519725593.db2.gz KLNNLKUPTSZIDT-UHFFFAOYSA-N 0 0 406.507 5.068 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020110891 558335731 /nfs/dbraw/zinc/33/57/31/558335731.db2.gz ULMGALLBAXCSKA-XTOQWRRBSA-N 0 0 403.566 6.259 40 0 HKABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020110892 558335655 /nfs/dbraw/zinc/33/56/55/558335655.db2.gz ULMGALLBAXCSKA-KSUQMOORSA-N 0 0 403.566 6.259 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000020110903 558335873 /nfs/dbraw/zinc/33/58/73/558335873.db2.gz ZMUQMCLYCCTSRS-LJQANCHMSA-N 0 0 416.370 5.209 40 0 HKABRN COc1ccc([C@H](CC(C)C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000020110904 525350238 /nfs/dbraw/zinc/35/02/38/525350238.db2.gz ZMUQMCLYCCTSRS-IBGZPJMESA-N 0 0 416.370 5.209 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000020111071 558335817 /nfs/dbraw/zinc/33/58/17/558335817.db2.gz OHFVBHCXILEITQ-HNNXBMFYSA-N 0 0 413.926 6.260 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000020111072 525111945 /nfs/dbraw/zinc/11/19/45/525111945.db2.gz OHFVBHCXILEITQ-OAHLLOKOSA-N 0 0 413.926 6.260 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c(OC)c1 ZINC000020111448 558336112 /nfs/dbraw/zinc/33/61/12/558336112.db2.gz MHSOWZOINUQZFJ-UHFFFAOYSA-N 0 0 409.507 5.127 40 0 HKABRN CCc1ccccc1O[C@@H](C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000020111582 521923483 /nfs/dbraw/zinc/92/34/83/521923483.db2.gz CMWZCPXSRSPFFY-AWEZNQCLSA-N 0 0 412.382 5.373 40 0 HKABRN CCc1ccccc1O[C@H](C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000020111584 558336066 /nfs/dbraw/zinc/33/60/66/558336066.db2.gz CMWZCPXSRSPFFY-CQSZACIVSA-N 0 0 412.382 5.373 40 0 HKABRN Cc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000020111648 558336077 /nfs/dbraw/zinc/33/60/77/558336077.db2.gz DKIDAPZNKNSMPT-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN C[C@@H](NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccc(C(C)(C)C)cc1 ZINC000020111656 525325681 /nfs/dbraw/zinc/32/56/81/525325681.db2.gz FNWAMQMXYJJBMN-HXUWFJFHSA-N 0 0 412.577 6.038 40 0 HKABRN C[C@H](NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccc(C(C)(C)C)cc1 ZINC000020111658 558336070 /nfs/dbraw/zinc/33/60/70/558336070.db2.gz FNWAMQMXYJJBMN-FQEVSTJZSA-N 0 0 412.577 6.038 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 ZINC000020112026 558336337 /nfs/dbraw/zinc/33/63/37/558336337.db2.gz RDCCAMUVHJJGOI-UHFFFAOYSA-N 0 0 414.505 5.068 40 0 HKABRN O=S(=O)(Nc1ccccc1Br)c1ccc(Oc2ccccc2)cc1 ZINC000020112131 558336241 /nfs/dbraw/zinc/33/62/41/558336241.db2.gz FZMBTHHIVUUHQP-UHFFFAOYSA-N 0 0 404.285 5.042 40 0 HKABRN Cc1cccc(CCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 ZINC000020112366 558336349 /nfs/dbraw/zinc/33/63/49/558336349.db2.gz VDBSITGXPAESDW-UHFFFAOYSA-N 0 0 405.563 5.529 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000020112536 558336251 /nfs/dbraw/zinc/33/62/51/558336251.db2.gz GKYYVMQKMJMRCZ-XMMPIXPASA-N 0 0 403.522 5.791 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000020112538 558336302 /nfs/dbraw/zinc/33/63/02/558336302.db2.gz GKYYVMQKMJMRCZ-DEOSSOPVSA-N 0 0 403.522 5.791 40 0 HKABRN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000020112743 558336480 /nfs/dbraw/zinc/33/64/80/558336480.db2.gz WONCJBDAHLKRKZ-UHFFFAOYSA-N 0 0 400.305 5.845 40 0 HKABRN O=S(=O)(Nc1ccc(Br)cc1F)c1ccc(Oc2ccccc2)cc1 ZINC000020112765 558336567 /nfs/dbraw/zinc/33/65/67/558336567.db2.gz UPXRDWYATADEEV-UHFFFAOYSA-N 0 0 422.275 5.181 40 0 HKABRN CC(C)c1cc(Br)cc2sc(NC(=O)C(C)(C)Br)nc21 ZINC000020133206 560881035 /nfs/dbraw/zinc/88/10/35/560881035.db2.gz KTGYIIVWTHVPED-UHFFFAOYSA-N 0 0 420.170 5.294 40 0 HKABRN CC(C)(Br)C(=O)Nc1nc2ccc(OCc3ccccc3F)cc2s1 ZINC000020133231 518505362 /nfs/dbraw/zinc/50/53/62/518505362.db2.gz ROUHMQHORRORLN-UHFFFAOYSA-N 0 0 423.307 5.126 40 0 HKABRN CC(C)(Br)C(=O)Nc1nc2ccc(OCc3ccc(F)cc3)cc2s1 ZINC000020133233 518505817 /nfs/dbraw/zinc/50/58/17/518505817.db2.gz ABXFKAXFGGMNAX-UHFFFAOYSA-N 0 0 423.307 5.126 40 0 HKABRN Cc1c2oc(-c3ccccc3Cl)nc2c(Br)c(N)c1Br ZINC000020134688 560875658 /nfs/dbraw/zinc/87/56/58/560875658.db2.gz VJRUAJUBIIBIMO-UHFFFAOYSA-N 0 0 416.500 5.564 40 0 HKABRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)C(c1ccccc1)c1ccccc1 ZINC000020137065 558337685 /nfs/dbraw/zinc/33/76/85/558337685.db2.gz HKXLPVFEEBRXSF-UHFFFAOYSA-N 0 0 417.892 5.863 40 0 HKABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000020137067 558337763 /nfs/dbraw/zinc/33/77/63/558337763.db2.gz QLRHOFGDPLZRLW-UHFFFAOYSA-N 0 0 413.473 5.218 40 0 HKABRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)C(c1ccccc1)c1ccccc1 ZINC000020137068 527172060 /nfs/dbraw/zinc/17/20/60/527172060.db2.gz JZJSWELDBBUWNC-UHFFFAOYSA-N 0 0 417.892 5.863 40 0 HKABRN COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1-c1ccc(CO)o1 ZINC000020137069 558337754 /nfs/dbraw/zinc/33/77/54/558337754.db2.gz DKFVVUPOMMJWFW-UHFFFAOYSA-N 0 0 413.473 5.218 40 0 HKABRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)C(c1ccccc1)c1ccccc1 ZINC000020137076 558337677 /nfs/dbraw/zinc/33/76/77/558337677.db2.gz SYCWCTGXTZXSEG-UHFFFAOYSA-N 0 0 417.892 5.863 40 0 HKABRN COc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1-c1ccc(CO)o1 ZINC000020137079 558337766 /nfs/dbraw/zinc/33/77/66/558337766.db2.gz KUWOGAXKWVOVIM-UHFFFAOYSA-N 0 0 413.473 5.218 40 0 HKABRN O=C(Cc1ccc(Br)cc1)Nc1cc(-c2ccc(CO)o2)ccc1Cl ZINC000020137198 558337755 /nfs/dbraw/zinc/33/77/55/558337755.db2.gz YZZLLBJFJUCGSG-UHFFFAOYSA-N 0 0 420.690 5.036 40 0 HKABRN O=C(Cc1ccc(Br)cc1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000020137204 527218490 /nfs/dbraw/zinc/21/84/90/527218490.db2.gz YBQQMSTZKOZPBK-UHFFFAOYSA-N 0 0 420.690 5.036 40 0 HKABRN O=C(Cc1ccc(Br)cc1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000020137216 558337791 /nfs/dbraw/zinc/33/77/91/558337791.db2.gz QWGKJLYFZYDRKE-UHFFFAOYSA-N 0 0 420.690 5.036 40 0 HKABRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccccc1Br ZINC000020137831 558337923 /nfs/dbraw/zinc/33/79/23/558337923.db2.gz BIVQJZYIAUWVNP-UHFFFAOYSA-N 0 0 406.663 5.107 40 0 HKABRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccccc1Br ZINC000020137835 558337929 /nfs/dbraw/zinc/33/79/29/558337929.db2.gz MQAIASNECCZWGC-UHFFFAOYSA-N 0 0 406.663 5.107 40 0 HKABRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccccc1Br ZINC000020137845 558338038 /nfs/dbraw/zinc/33/80/38/558338038.db2.gz SMKKCFAOUKIDNS-UHFFFAOYSA-N 0 0 406.663 5.107 40 0 HKABRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccc(Br)c1 ZINC000020137997 558337967 /nfs/dbraw/zinc/33/79/67/558337967.db2.gz RUOKPCBNBXYDQL-UHFFFAOYSA-N 0 0 406.663 5.107 40 0 HKABRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccc(Br)c1 ZINC000020138006 558337931 /nfs/dbraw/zinc/33/79/31/558337931.db2.gz YKHNTQUJRAIWIK-UHFFFAOYSA-N 0 0 406.663 5.107 40 0 HKABRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cccc(Br)c1 ZINC000020138024 558337948 /nfs/dbraw/zinc/33/79/48/558337948.db2.gz JISCOLUKFAYKNT-UHFFFAOYSA-N 0 0 406.663 5.107 40 0 HKABRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(Br)cc1 ZINC000020138290 527099017 /nfs/dbraw/zinc/09/90/17/527099017.db2.gz YNHJESSQZMPVDU-UHFFFAOYSA-N 0 0 406.663 5.107 40 0 HKABRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(Br)cc1 ZINC000020138299 558338021 /nfs/dbraw/zinc/33/80/21/558338021.db2.gz LTTUWMMIVFLFOG-UHFFFAOYSA-N 0 0 406.663 5.107 40 0 HKABRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(Br)cc1 ZINC000020138311 527135792 /nfs/dbraw/zinc/13/57/92/527135792.db2.gz XOCYCFOTDMKBQW-UHFFFAOYSA-N 0 0 406.663 5.107 40 0 HKABRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cc(Br)ccc1Cl ZINC000020138482 527308442 /nfs/dbraw/zinc/30/84/42/527308442.db2.gz YINSYIDGUYOIJI-UHFFFAOYSA-N 0 0 406.663 5.107 40 0 HKABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc(Br)ccc1Cl ZINC000020138484 558338253 /nfs/dbraw/zinc/33/82/53/558338253.db2.gz CHVQCPHZJQBNPS-UHFFFAOYSA-N 0 0 420.690 5.416 40 0 HKABRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cc(Br)ccc1Cl ZINC000020138499 558338170 /nfs/dbraw/zinc/33/81/70/558338170.db2.gz LSSJAYKRGWHZMF-UHFFFAOYSA-N 0 0 406.663 5.107 40 0 HKABRN Cc1cc(NC(=O)c2cc(Br)ccc2Cl)ccc1-c1ccc(CO)o1 ZINC000020138502 525240252 /nfs/dbraw/zinc/24/02/52/525240252.db2.gz QVFDXUALUSJNHX-UHFFFAOYSA-N 0 0 420.690 5.416 40 0 HKABRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000020138873 558338246 /nfs/dbraw/zinc/33/82/46/558338246.db2.gz SOZLNLVHCDCNKM-UHFFFAOYSA-N 0 0 403.865 6.012 40 0 HKABRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(-c2ccccc2)cc1 ZINC000020138879 558338184 /nfs/dbraw/zinc/33/81/84/558338184.db2.gz HSDGJLHYOFKYKT-UHFFFAOYSA-N 0 0 403.865 6.012 40 0 HKABRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 ZINC000020138891 558338159 /nfs/dbraw/zinc/33/81/59/558338159.db2.gz AFRNBDPRDGLVCS-UHFFFAOYSA-N 0 0 403.865 6.012 40 0 HKABRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccc2c(Cl)cccc12 ZINC000020139002 527098274 /nfs/dbraw/zinc/09/82/74/527098274.db2.gz RKYQVWBGRUIHPZ-UHFFFAOYSA-N 0 0 412.272 6.151 40 0 HKABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000020139005 523134778 /nfs/dbraw/zinc/13/47/78/523134778.db2.gz UIUFHOZFZMJEAD-UHFFFAOYSA-N 0 0 407.853 5.506 40 0 HKABRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccc2c(Cl)cccc12 ZINC000020139008 558338201 /nfs/dbraw/zinc/33/82/01/558338201.db2.gz CWZXDLQPPOWFNI-UHFFFAOYSA-N 0 0 412.272 6.151 40 0 HKABRN COc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1-c1ccc(CO)o1 ZINC000020139011 558338281 /nfs/dbraw/zinc/33/82/81/558338281.db2.gz GHORZLLZQOHPNA-UHFFFAOYSA-N 0 0 407.853 5.506 40 0 HKABRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cccc2c(Cl)cccc12 ZINC000020139020 558338173 /nfs/dbraw/zinc/33/81/73/558338173.db2.gz XCDFZACPFXRDSX-UHFFFAOYSA-N 0 0 412.272 6.151 40 0 HKABRN COc1cc(NC(=O)c2cccc3c(Cl)cccc23)ccc1-c1ccc(CO)o1 ZINC000020139023 558338227 /nfs/dbraw/zinc/33/82/27/558338227.db2.gz XMCDDBJRCUZJPK-UHFFFAOYSA-N 0 0 407.853 5.506 40 0 HKABRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cccc2c(Br)cccc12 ZINC000020139069 527308386 /nfs/dbraw/zinc/30/83/86/527308386.db2.gz NRRJJYVMUCSBDU-UHFFFAOYSA-N 0 0 422.278 5.607 40 0 HKABRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc2c(Br)cccc12 ZINC000020139089 558338176 /nfs/dbraw/zinc/33/81/76/558338176.db2.gz VSZYHRWHIQRZKV-UHFFFAOYSA-N 0 0 422.278 5.607 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl ZINC000020139190 558338265 /nfs/dbraw/zinc/33/82/65/558338265.db2.gz GHDBYJSINAADBU-UHFFFAOYSA-N 0 0 407.853 5.506 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000020139196 523062018 /nfs/dbraw/zinc/06/20/18/523062018.db2.gz TXDMLHPNXYFMLJ-UHFFFAOYSA-N 0 0 407.853 5.506 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000020139208 523061156 /nfs/dbraw/zinc/06/11/56/523061156.db2.gz JUWFOVLBDFESMS-UHFFFAOYSA-N 0 0 407.853 5.506 40 0 HKABRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1sc2ccccc2c1Cl ZINC000020139514 558338458 /nfs/dbraw/zinc/33/84/58/558338458.db2.gz JWFLUCXLWLLMMJ-UHFFFAOYSA-N 0 0 418.301 6.213 40 0 HKABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1sc2ccccc2c1Cl ZINC000020139517 558338474 /nfs/dbraw/zinc/33/84/74/558338474.db2.gz ZSLWFUDSOSPLPR-UHFFFAOYSA-N 0 0 413.882 5.568 40 0 HKABRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1sc2ccccc2c1Cl ZINC000020139519 558338440 /nfs/dbraw/zinc/33/84/40/558338440.db2.gz FNVSMKPVGXOMQO-UHFFFAOYSA-N 0 0 418.301 6.213 40 0 HKABRN COc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1-c1ccc(CO)o1 ZINC000020139521 524662821 /nfs/dbraw/zinc/66/28/21/524662821.db2.gz PKWMXVDNAQTIKK-UHFFFAOYSA-N 0 0 413.882 5.568 40 0 HKABRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1sc2ccccc2c1Cl ZINC000020139529 527136463 /nfs/dbraw/zinc/13/64/63/527136463.db2.gz YAHZOQWPGROKRM-UHFFFAOYSA-N 0 0 418.301 6.213 40 0 HKABRN COc1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1-c1ccc(CO)o1 ZINC000020139531 558338475 /nfs/dbraw/zinc/33/84/75/558338475.db2.gz QWIVOWRZDFDVEQ-UHFFFAOYSA-N 0 0 413.882 5.568 40 0 HKABRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1sc2cc(Cl)ccc2c1Cl ZINC000020139562 558338476 /nfs/dbraw/zinc/33/84/76/558338476.db2.gz PMXSCTZUHJDGTL-UHFFFAOYSA-N 0 0 418.301 6.213 40 0 HKABRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000020139581 558338480 /nfs/dbraw/zinc/33/84/80/558338480.db2.gz WLAUIVDDRJPCEV-UHFFFAOYSA-N 0 0 418.301 6.213 40 0 HKABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000020139889 558338464 /nfs/dbraw/zinc/33/84/64/558338464.db2.gz NGSMPWABSAOQGP-UHFFFAOYSA-N 0 0 407.853 5.913 40 0 HKABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000020139895 558338595 /nfs/dbraw/zinc/33/85/95/558338595.db2.gz CFGIOYDDVPOTOT-UHFFFAOYSA-N 0 0 423.852 5.613 40 0 HKABRN COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1-c1ccc(CO)o1 ZINC000020139901 558338633 /nfs/dbraw/zinc/33/86/33/558338633.db2.gz QURZMCSNQPSETE-UHFFFAOYSA-N 0 0 423.852 5.613 40 0 HKABRN Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)ccc1-c1ccc(CO)o1 ZINC000020139907 558338603 /nfs/dbraw/zinc/33/86/03/558338603.db2.gz XCEQDRBJRHXVBA-UHFFFAOYSA-N 0 0 407.853 5.913 40 0 HKABRN COc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)ccc1-c1ccc(CO)o1 ZINC000020139909 558338682 /nfs/dbraw/zinc/33/86/82/558338682.db2.gz CAWNLOQAKJEICT-UHFFFAOYSA-N 0 0 423.852 5.613 40 0 HKABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000020140219 525752644 /nfs/dbraw/zinc/75/26/44/525752644.db2.gz LJZCGFKSQOZOGY-UHFFFAOYSA-N 0 0 407.853 5.913 40 0 HKABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000020140225 558338664 /nfs/dbraw/zinc/33/86/64/558338664.db2.gz KJDMGBPERDRCHI-UHFFFAOYSA-N 0 0 423.852 5.613 40 0 HKABRN COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1-c1ccc(CO)o1 ZINC000020140231 558338599 /nfs/dbraw/zinc/33/85/99/558338599.db2.gz SRSWJGNOFTYRFA-UHFFFAOYSA-N 0 0 423.852 5.613 40 0 HKABRN Cc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)ccc1-c1ccc(CO)o1 ZINC000020140237 558338571 /nfs/dbraw/zinc/33/85/71/558338571.db2.gz FPXYLBSMGHVORW-UHFFFAOYSA-N 0 0 407.853 5.913 40 0 HKABRN COc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)ccc1-c1ccc(CO)o1 ZINC000020140242 558338615 /nfs/dbraw/zinc/33/86/15/558338615.db2.gz WEDSAJLGWISXGC-UHFFFAOYSA-N 0 0 423.852 5.613 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4ccc(CO)o4)c3)o2)cc1Cl ZINC000020140327 558338846 /nfs/dbraw/zinc/33/88/46/558338846.db2.gz LKWCYPCOWZOCPL-UHFFFAOYSA-N 0 0 407.853 5.913 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4ccc(CO)o4)ccc3C)o2)cc1Cl ZINC000020140330 558338900 /nfs/dbraw/zinc/33/89/00/558338900.db2.gz CPVIEPCZHSXSGH-UHFFFAOYSA-N 0 0 421.880 6.221 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)cc3)o2)cc1Cl ZINC000020140345 558338961 /nfs/dbraw/zinc/33/89/61/558338961.db2.gz FUMDMNDMOISRAP-UHFFFAOYSA-N 0 0 407.853 5.913 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)c(C)c3)o2)cc1Cl ZINC000020140348 558338838 /nfs/dbraw/zinc/33/88/38/558338838.db2.gz NQWCQPQOLQRVTP-UHFFFAOYSA-N 0 0 421.880 6.221 40 0 HKABRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000020140401 558338872 /nfs/dbraw/zinc/33/88/72/558338872.db2.gz IOWOHDDSCWTROL-UHFFFAOYSA-N 0 0 411.816 5.744 40 0 HKABRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000020140417 527135299 /nfs/dbraw/zinc/13/52/99/527135299.db2.gz CQTZBDSMMMIIGQ-UHFFFAOYSA-N 0 0 411.816 5.744 40 0 HKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(-c2ccc(CO)o2)ccc1C ZINC000020141348 558339050 /nfs/dbraw/zinc/33/90/50/558339050.db2.gz NTYRXAKAMTVTCW-UHFFFAOYSA-N 0 0 406.265 5.315 40 0 HKABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc(Cl)cc(Cl)c1OC ZINC000020141354 523135485 /nfs/dbraw/zinc/13/54/85/523135485.db2.gz SYTZNDFVLSSEKH-UHFFFAOYSA-N 0 0 422.264 5.015 40 0 HKABRN COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1-c1ccc(CO)o1 ZINC000020141360 558339021 /nfs/dbraw/zinc/33/90/21/558339021.db2.gz DLSWVRGPKZPXNJ-UHFFFAOYSA-N 0 0 422.264 5.015 40 0 HKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1 ZINC000020141365 558339058 /nfs/dbraw/zinc/33/90/58/558339058.db2.gz LOCIUYZZJLXYMQ-UHFFFAOYSA-N 0 0 406.265 5.315 40 0 HKABRN COc1cc(NC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1-c1ccc(CO)o1 ZINC000020141371 522721133 /nfs/dbraw/zinc/72/11/33/522721133.db2.gz SYUAXSKBPGYPPD-UHFFFAOYSA-N 0 0 422.264 5.015 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1Cl ZINC000020142420 558339008 /nfs/dbraw/zinc/33/90/08/558339008.db2.gz OYWYSXGFPNBPAL-UHFFFAOYSA-N 0 0 406.265 5.397 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1Cl ZINC000020142424 558339014 /nfs/dbraw/zinc/33/90/14/558339014.db2.gz XAQLJAYDIUIBIN-UHFFFAOYSA-N 0 0 406.265 5.397 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1Cl ZINC000020142436 558339074 /nfs/dbraw/zinc/33/90/74/558339074.db2.gz POYFJNITMBUAPM-UHFFFAOYSA-N 0 0 406.265 5.397 40 0 HKABRN COc1c(Cl)cc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1Cl ZINC000020142548 558338985 /nfs/dbraw/zinc/33/89/85/558338985.db2.gz NHBUWQUYEFWVQW-UHFFFAOYSA-N 0 0 406.265 5.315 40 0 HKABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 ZINC000020142552 558339016 /nfs/dbraw/zinc/33/90/16/558339016.db2.gz CAPPOAQZQKYVCK-UHFFFAOYSA-N 0 0 422.264 5.015 40 0 HKABRN COc1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1-c1ccc(CO)o1 ZINC000020142557 558339071 /nfs/dbraw/zinc/33/90/71/558339071.db2.gz DOGCTNUIDPJSBX-UHFFFAOYSA-N 0 0 422.264 5.015 40 0 HKABRN COc1c(Cl)cc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1Cl ZINC000020142563 558339001 /nfs/dbraw/zinc/33/90/01/558339001.db2.gz SSLAEVMPDSNPEU-UHFFFAOYSA-N 0 0 406.265 5.315 40 0 HKABRN COc1cc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1-c1ccc(CO)o1 ZINC000020142568 558339072 /nfs/dbraw/zinc/33/90/72/558339072.db2.gz NGFJERGOBXKRPW-UHFFFAOYSA-N 0 0 422.264 5.015 40 0 HKABRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1c(F)c(F)c(F)c(F)c1F ZINC000020143182 558339284 /nfs/dbraw/zinc/33/92/84/558339284.db2.gz LKMAGQQJOLKQGJ-UHFFFAOYSA-N 0 0 417.717 5.040 40 0 HKABRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1c(F)c(F)c(F)c(F)c1F ZINC000020143188 558339302 /nfs/dbraw/zinc/33/93/02/558339302.db2.gz UNSMZKCIGMQVRM-UHFFFAOYSA-N 0 0 417.717 5.040 40 0 HKABRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1c(F)c(F)c(F)c(F)c1F ZINC000020143199 558339252 /nfs/dbraw/zinc/33/92/52/558339252.db2.gz HBUJXHITFUDPCC-UHFFFAOYSA-N 0 0 417.717 5.040 40 0 HKABRN CCOc1cc(OCC)cc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1 ZINC000020143375 558339318 /nfs/dbraw/zinc/33/93/18/558339318.db2.gz IJFRKGMYASBUOW-UHFFFAOYSA-N 0 0 415.873 5.142 40 0 HKABRN CCOc1cc(OCC)cc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1 ZINC000020143380 558339304 /nfs/dbraw/zinc/33/93/04/558339304.db2.gz MYHWXCKRCLDFFX-UHFFFAOYSA-N 0 0 415.873 5.142 40 0 HKABRN CCOc1cc(OCC)cc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1 ZINC000020143389 558339278 /nfs/dbraw/zinc/33/92/78/558339278.db2.gz JCTFWOHZHKMNOL-UHFFFAOYSA-N 0 0 415.873 5.142 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 ZINC000020143979 558339462 /nfs/dbraw/zinc/33/94/62/558339462.db2.gz SKSNMFBAWYZKIG-UHFFFAOYSA-N 0 0 413.901 5.407 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1 ZINC000020143983 558339464 /nfs/dbraw/zinc/33/94/64/558339464.db2.gz WTDSPYZGONJBRM-UHFFFAOYSA-N 0 0 413.901 5.407 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 ZINC000020143990 558339450 /nfs/dbraw/zinc/33/94/50/558339450.db2.gz MSYUJTNFTFCQDK-UHFFFAOYSA-N 0 0 413.901 5.407 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1 ZINC000020144123 558339461 /nfs/dbraw/zinc/33/94/61/558339461.db2.gz FRNUAWFLBWHDDG-UHFFFAOYSA-N 0 0 413.901 5.542 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1 ZINC000020144128 558339455 /nfs/dbraw/zinc/33/94/55/558339455.db2.gz RUBMTZPJWWVSMW-UHFFFAOYSA-N 0 0 413.901 5.542 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1 ZINC000020144136 558339485 /nfs/dbraw/zinc/33/94/85/558339485.db2.gz AGEWYCPUAPTPFT-UHFFFAOYSA-N 0 0 413.901 5.542 40 0 HKABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000020144227 525753166 /nfs/dbraw/zinc/75/31/66/525753166.db2.gz WKDOMBULXSFTBA-UHFFFAOYSA-N 0 0 406.265 5.072 40 0 HKABRN Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1-c1ccc(CO)o1 ZINC000020144239 525152521 /nfs/dbraw/zinc/15/25/21/525152521.db2.gz ZNKBALAOGKVRNG-UHFFFAOYSA-N 0 0 406.265 5.072 40 0 HKABRN Cc1cc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)ccc1Cl ZINC000020144267 558339445 /nfs/dbraw/zinc/33/94/45/558339445.db2.gz YHGVIHSRDLJTAK-UHFFFAOYSA-N 0 0 406.265 5.072 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)ccc1Cl ZINC000020144271 525364789 /nfs/dbraw/zinc/36/47/89/525364789.db2.gz KKXBQUWMHLJBTC-UHFFFAOYSA-N 0 0 406.265 5.072 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)ccc1Cl ZINC000020144279 525364835 /nfs/dbraw/zinc/36/48/35/525364835.db2.gz AGPKQHXXSMYRCH-UHFFFAOYSA-N 0 0 406.265 5.072 40 0 HKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl ZINC000020144303 524904802 /nfs/dbraw/zinc/90/48/02/524904802.db2.gz YPAXWHLNJGEBMF-UHFFFAOYSA-N 0 0 406.265 5.072 40 0 HKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000020144307 524904121 /nfs/dbraw/zinc/90/41/21/524904121.db2.gz YIBICNYESOGHDB-UHFFFAOYSA-N 0 0 406.265 5.072 40 0 HKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000020144315 524903809 /nfs/dbraw/zinc/90/38/09/524903809.db2.gz IRDIZGLBDRELGF-UHFFFAOYSA-N 0 0 406.265 5.072 40 0 HKABRN Cc1cc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc(C)c1Cl ZINC000020144347 525365541 /nfs/dbraw/zinc/36/55/41/525365541.db2.gz PTHGNGIFXKUBPW-UHFFFAOYSA-N 0 0 420.292 5.380 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc(C)c1Cl ZINC000020144351 558339685 /nfs/dbraw/zinc/33/96/85/558339685.db2.gz FZBDSVBEWKHLAQ-UHFFFAOYSA-N 0 0 420.292 5.380 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc(C)c1Cl ZINC000020144359 558339706 /nfs/dbraw/zinc/33/97/06/558339706.db2.gz NDDKYIHHSLQGNR-UHFFFAOYSA-N 0 0 420.292 5.380 40 0 HKABRN Cc1cc(C)c(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c(Cl)c1 ZINC000020144399 558339744 /nfs/dbraw/zinc/33/97/44/558339744.db2.gz TYKIGLSBLKFPRU-UHFFFAOYSA-N 0 0 420.292 5.380 40 0 HKABRN Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c(Cl)c1 ZINC000020144403 558339734 /nfs/dbraw/zinc/33/97/34/558339734.db2.gz RXBWTHMYUTVKFL-UHFFFAOYSA-N 0 0 420.292 5.380 40 0 HKABRN Cc1cc(C)c(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c(Cl)c1 ZINC000020144411 558339694 /nfs/dbraw/zinc/33/96/94/558339694.db2.gz GKACTRIIMNIJMP-UHFFFAOYSA-N 0 0 420.292 5.380 40 0 HKABRN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccc(-c2ccc(CO)o2)c1 ZINC000020144535 558339696 /nfs/dbraw/zinc/33/96/96/558339696.db2.gz CSWAPYGWUFLHTG-UHFFFAOYSA-N 0 0 406.265 5.072 40 0 HKABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1c(C)cc(Cl)cc1Cl ZINC000020144537 558339674 /nfs/dbraw/zinc/33/96/74/558339674.db2.gz QOMKCHXERKGVRE-UHFFFAOYSA-N 0 0 420.292 5.380 40 0 HKABRN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(-c2ccc(CO)o2)cc1 ZINC000020144547 558339704 /nfs/dbraw/zinc/33/97/04/558339704.db2.gz SCELMBYUDYKALN-UHFFFAOYSA-N 0 0 406.265 5.072 40 0 HKABRN Cc1cc(NC(=O)COc2c(C)cc(Cl)cc2Cl)ccc1-c1ccc(CO)o1 ZINC000020144549 525152544 /nfs/dbraw/zinc/15/25/44/525152544.db2.gz ATUNRROUJGDXDS-UHFFFAOYSA-N 0 0 420.292 5.380 40 0 HKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(-c2ccc(CO)o2)c1 ZINC000020144692 558339726 /nfs/dbraw/zinc/33/97/26/558339726.db2.gz IRYNYJHKTXTQAR-GFCCVEGCSA-N 0 0 406.265 5.152 40 0 HKABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(-c2ccc(CO)o2)c1 ZINC000020144694 558339729 /nfs/dbraw/zinc/33/97/29/558339729.db2.gz IRYNYJHKTXTQAR-LBPRGKRZSA-N 0 0 406.265 5.152 40 0 HKABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000020144696 525752309 /nfs/dbraw/zinc/75/23/09/525752309.db2.gz LGBFOQQNPUMENG-CYBMUJFWSA-N 0 0 420.292 5.460 40 0 HKABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000020144698 558339714 /nfs/dbraw/zinc/33/97/14/558339714.db2.gz LGBFOQQNPUMENG-ZDUSSCGKSA-N 0 0 420.292 5.460 40 0 HKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccc(CO)o2)cc1 ZINC000020144717 558339727 /nfs/dbraw/zinc/33/97/27/558339727.db2.gz MOWXBKUOOBCFCK-GFCCVEGCSA-N 0 0 406.265 5.152 40 0 HKABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccc(CO)o2)cc1 ZINC000020144719 558339747 /nfs/dbraw/zinc/33/97/47/558339747.db2.gz MOWXBKUOOBCFCK-LBPRGKRZSA-N 0 0 406.265 5.152 40 0 HKABRN Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1-c1ccc(CO)o1 ZINC000020144721 558339681 /nfs/dbraw/zinc/33/96/81/558339681.db2.gz FXZBHFFQZKHNSP-CYBMUJFWSA-N 0 0 420.292 5.460 40 0 HKABRN Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1-c1ccc(CO)o1 ZINC000020144723 558339874 /nfs/dbraw/zinc/33/98/74/558339874.db2.gz FXZBHFFQZKHNSP-ZDUSSCGKSA-N 0 0 420.292 5.460 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl ZINC000020144757 519378493 /nfs/dbraw/zinc/37/84/93/519378493.db2.gz PXDDTLPAAKZGHL-UHFFFAOYSA-N 0 0 420.292 5.542 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000020144761 558339876 /nfs/dbraw/zinc/33/98/76/558339876.db2.gz OZWSXRUHOXKVCS-UHFFFAOYSA-N 0 0 420.292 5.542 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000020144769 558339886 /nfs/dbraw/zinc/33/98/86/558339886.db2.gz PJNPPNYYTZUNRZ-UHFFFAOYSA-N 0 0 420.292 5.542 40 0 HKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(-c2ccc(CO)o2)c1 ZINC000020144928 558339855 /nfs/dbraw/zinc/33/98/55/558339855.db2.gz PFPIVQKXKVNGMK-UHFFFAOYSA-N 0 0 405.494 5.504 40 0 HKABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000020144930 558339847 /nfs/dbraw/zinc/33/98/47/558339847.db2.gz ADGGVDJQONYHTB-UHFFFAOYSA-N 0 0 419.521 5.813 40 0 HKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(-c2ccc(CO)o2)cc1 ZINC000020144940 558339924 /nfs/dbraw/zinc/33/99/24/558339924.db2.gz FDJINEGSRCAHFL-UHFFFAOYSA-N 0 0 405.494 5.504 40 0 HKABRN Cc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1-c1ccc(CO)o1 ZINC000020144942 558339889 /nfs/dbraw/zinc/33/98/89/558339889.db2.gz IMXULPCIGULKHI-UHFFFAOYSA-N 0 0 419.521 5.813 40 0 HKABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000020144968 558339922 /nfs/dbraw/zinc/33/99/22/558339922.db2.gz SHBMQXCLNDIZME-UHFFFAOYSA-N 0 0 413.473 5.579 40 0 HKABRN Cc1cc(NC(=O)c2cccc(OCc3ccccc3)c2)ccc1-c1ccc(CO)o1 ZINC000020144978 558339932 /nfs/dbraw/zinc/33/99/32/558339932.db2.gz VBNASGINDVXSHK-UHFFFAOYSA-N 0 0 413.473 5.579 40 0 HKABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000020145002 558339893 /nfs/dbraw/zinc/33/98/93/558339893.db2.gz PPQXNOAXAPBCMI-UHFFFAOYSA-N 0 0 413.473 5.579 40 0 HKABRN Cc1cc(NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1-c1ccc(CO)o1 ZINC000020145014 558339914 /nfs/dbraw/zinc/33/99/14/558339914.db2.gz BWZUPRUJMNESHY-UHFFFAOYSA-N 0 0 413.473 5.579 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc(-c2ccc(CO)o2)ccc1Cl ZINC000020145290 527604760 /nfs/dbraw/zinc/60/47/60/527604760.db2.gz LMFRWZTUMGSLJG-UKTHLTGXSA-N 0 0 419.864 6.004 40 0 HKABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000020145292 558339860 /nfs/dbraw/zinc/33/98/60/558339860.db2.gz NMCMYUCJUYMFCU-GXDHUFHOSA-N 0 0 415.445 5.359 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000020145294 558339841 /nfs/dbraw/zinc/33/98/41/558339841.db2.gz BHXHDCWXJAPFJK-UKTHLTGXSA-N 0 0 419.864 6.004 40 0 HKABRN COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1-c1ccc(CO)o1 ZINC000020145296 558339919 /nfs/dbraw/zinc/33/99/19/558339919.db2.gz WRTKKDFIFHELJX-GXDHUFHOSA-N 0 0 415.445 5.359 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000020145302 558339852 /nfs/dbraw/zinc/33/98/52/558339852.db2.gz BQGZCYHGEFWGKJ-UKTHLTGXSA-N 0 0 419.864 6.004 40 0 HKABRN COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1-c1ccc(CO)o1 ZINC000020145304 558339908 /nfs/dbraw/zinc/33/99/08/558339908.db2.gz JGLKGSXCMOHTLR-GXDHUFHOSA-N 0 0 415.445 5.359 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1cccc(-c2ccc(CO)o2)c1 ZINC000020145388 558339929 /nfs/dbraw/zinc/33/99/29/558339929.db2.gz CORZGLFFSJQAOK-JLHYYAGUSA-N 0 0 403.409 5.490 40 0 HKABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000020145390 558339917 /nfs/dbraw/zinc/33/99/17/558339917.db2.gz WVVJIYLESXWQJI-JLHYYAGUSA-N 0 0 417.436 5.798 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc(-c2ccc(CO)o2)cc1 ZINC000020145400 558340019 /nfs/dbraw/zinc/34/00/19/558340019.db2.gz SLRJMULBGRPASU-SDNWHVSQSA-N 0 0 403.409 5.490 40 0 HKABRN Cc1cc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)ccc1-c1ccc(CO)o1 ZINC000020145402 558340137 /nfs/dbraw/zinc/34/01/37/558340137.db2.gz OZUIOLDGHQKGCV-UKTHLTGXSA-N 0 0 417.436 5.798 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1cccc(-c2ccc(CO)o2)c1 ZINC000020150983 527605264 /nfs/dbraw/zinc/60/52/64/527605264.db2.gz KSLZGZURFNXJAD-JLHYYAGUSA-N 0 0 419.864 6.004 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccc(-c2ccc(CO)o2)cc1 ZINC000020150989 558340832 /nfs/dbraw/zinc/34/08/32/558340832.db2.gz MXSCYZQYJDFOBX-SDNWHVSQSA-N 0 0 419.864 6.004 40 0 HKABRN O=C(CSc1ccc(Cl)cc1)Nc1cc(-c2ccc(CO)o2)ccc1Cl ZINC000020151201 527033222 /nfs/dbraw/zinc/03/32/22/527033222.db2.gz LZNOMZXYZLUPAO-UHFFFAOYSA-N 0 0 408.306 5.477 40 0 HKABRN O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000020151205 558340819 /nfs/dbraw/zinc/34/08/19/558340819.db2.gz AMNDEQGYIDKGAI-UHFFFAOYSA-N 0 0 408.306 5.477 40 0 HKABRN O=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000020151212 527032824 /nfs/dbraw/zinc/03/28/24/527032824.db2.gz KDGGDKNRDMQCGZ-UHFFFAOYSA-N 0 0 408.306 5.477 40 0 HKABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000020151669 558340961 /nfs/dbraw/zinc/34/09/61/558340961.db2.gz RCFBNBOQTAJEIV-UHFFFAOYSA-N 0 0 422.550 5.172 40 0 HKABRN Cc1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)ccc1-c1ccc(CO)o1 ZINC000020151679 558340990 /nfs/dbraw/zinc/34/09/90/558340990.db2.gz REIYZQPAIQBHCY-UHFFFAOYSA-N 0 0 422.550 5.172 40 0 HKABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000020152228 558341341 /nfs/dbraw/zinc/34/13/41/558341341.db2.gz YVDCYFIVAGKOMZ-UHFFFAOYSA-N 0 0 416.502 5.027 40 0 HKABRN Cc1cc(NC(=S)NC(=O)c2cccc3ccccc32)ccc1-c1ccc(CO)o1 ZINC000020152238 558341344 /nfs/dbraw/zinc/34/13/44/558341344.db2.gz POBLUVQMTGKFGR-UHFFFAOYSA-N 0 0 416.502 5.027 40 0 HKABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc2ccccc2c1 ZINC000020152261 558341338 /nfs/dbraw/zinc/34/13/38/558341338.db2.gz UEOFTPSLDFQDRD-UHFFFAOYSA-N 0 0 416.502 5.027 40 0 HKABRN Cc1cc(NC(=S)NC(=O)c2ccc3ccccc3c2)ccc1-c1ccc(CO)o1 ZINC000020152271 558341358 /nfs/dbraw/zinc/34/13/58/558341358.db2.gz IXDZJDIOESRUDC-UHFFFAOYSA-N 0 0 416.502 5.027 40 0 HKABRN Cc1cc2nc(-c3cc(Br)ccc3Cl)oc2c(Br)c1C ZINC000020156808 560876168 /nfs/dbraw/zinc/87/61/68/560876168.db2.gz WJKAOJQCDFKRJK-UHFFFAOYSA-N 0 0 415.512 6.290 40 0 HKABRN COc1ccc(-c2nc3cc(C)c(C)c(Br)c3o2)cc1Br ZINC000020156826 560876179 /nfs/dbraw/zinc/87/61/79/560876179.db2.gz DVGJTIBURQMSKQ-UHFFFAOYSA-N 0 0 411.093 5.645 40 0 HKABRN Cc1cc2nc(-c3ccc(NC(N)=S)cc3Cl)oc2c(Br)c1C ZINC000020156888 560876170 /nfs/dbraw/zinc/87/61/70/560876170.db2.gz UPQBQAGOHWNQEF-UHFFFAOYSA-N 0 0 410.724 5.183 40 0 HKABRN Cc1cc2nc(-c3ccc(Cl)c(NC(N)=S)c3)oc2c(Br)c1C ZINC000020156926 560876180 /nfs/dbraw/zinc/87/61/80/560876180.db2.gz ZYYZTYZEBVVSNJ-UHFFFAOYSA-N 0 0 410.724 5.183 40 0 HKABRN Cc1cc2nc(-c3cc(NC(N)=S)ccc3Cl)oc2c(Br)c1C ZINC000020156931 560876172 /nfs/dbraw/zinc/87/61/72/560876172.db2.gz IEFFTOFSNGSSOW-UHFFFAOYSA-N 0 0 410.724 5.183 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000020158389 560876174 /nfs/dbraw/zinc/87/61/74/560876174.db2.gz IDFKVCLJIUKQOX-UHFFFAOYSA-N 0 0 402.519 6.219 40 0 HKABRN CCOc1cc(OCc2ccccc2)ccc1/C=C1/N=C(c2ccc(C)cc2)OC1=O ZINC000020175731 558343769 /nfs/dbraw/zinc/34/37/69/558343769.db2.gz GRJQEAHUGKXCLR-HZHRSRAPSA-N 0 0 413.473 5.317 40 0 HKABRN Cc1sc2c(c1C)CN(CCc1c[nH]c3ccccc13)CN2C(=O)c1ccccc1 ZINC000020193364 558756217 /nfs/dbraw/zinc/75/62/17/558756217.db2.gz RCMXOJSHSBSPQK-UHFFFAOYSA-N 0 0 415.562 5.509 40 0 HKABRN Clc1ccc(-c2nc(SCc3ccc(Cl)c(Cl)c3)n[nH]2)c(Cl)c1 ZINC000020195558 558345093 /nfs/dbraw/zinc/34/50/93/558345093.db2.gz QZMGOZNSQMFJIA-UHFFFAOYSA-N 0 0 405.137 6.378 40 0 HKABRN Clc1ccc(-c2nc(SCc3ccc(Br)cc3)n[nH]2)c(Cl)c1 ZINC000020195560 558345099 /nfs/dbraw/zinc/34/50/99/558345099.db2.gz MAJOZLKMJNQUCE-UHFFFAOYSA-N 0 0 415.143 5.833 40 0 HKABRN Clc1ccc(-c2nc(SCc3c(Cl)cccc3Cl)n[nH]2)c(Cl)c1 ZINC000020195597 558345022 /nfs/dbraw/zinc/34/50/22/558345022.db2.gz GBTAETFBAVHLQI-UHFFFAOYSA-N 0 0 405.137 6.378 40 0 HKABRN Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc4ccccc43)o2)cc1C ZINC000020196856 558345462 /nfs/dbraw/zinc/34/54/62/558345462.db2.gz BKESNTVZXOWQNG-UHFFFAOYSA-N 0 0 403.507 5.161 40 0 HKABRN Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1C ZINC000020196866 524696217 /nfs/dbraw/zinc/69/62/17/524696217.db2.gz QCBBOQBZLCCBRJ-UHFFFAOYSA-N 0 0 422.337 5.315 40 0 HKABRN Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1C ZINC000020196868 524696880 /nfs/dbraw/zinc/69/68/80/524696880.db2.gz NXBQEUORWRYEJG-UHFFFAOYSA-N 0 0 422.337 5.315 40 0 HKABRN Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)o2)cc1C ZINC000020196871 558345413 /nfs/dbraw/zinc/34/54/13/558345413.db2.gz QBBZGHCGXGHZDI-UHFFFAOYSA-N 0 0 422.337 5.315 40 0 HKABRN Cc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)cc1C ZINC000020196873 558345496 /nfs/dbraw/zinc/34/54/96/558345496.db2.gz JBKDCLHOUHLGFJ-UHFFFAOYSA-N 0 0 422.337 5.315 40 0 HKABRN Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1C ZINC000020196882 558345397 /nfs/dbraw/zinc/34/53/97/558345397.db2.gz HEYUJTYVTFZRKZ-UHFFFAOYSA-N 0 0 421.444 5.027 40 0 HKABRN Cc1cc(C)cc(OCc2nnc(SCc3ccc(Br)cc3)o2)c1 ZINC000020196984 558345405 /nfs/dbraw/zinc/34/54/05/558345405.db2.gz ZOKTVZGABKKULX-UHFFFAOYSA-N 0 0 405.317 5.320 40 0 HKABRN CCc1ccc(Cc2nnc(SCC(=O)Nc3cccc4ccccc43)o2)cc1 ZINC000020197093 523951823 /nfs/dbraw/zinc/95/18/23/523951823.db2.gz CPBFWNACYRPKIJ-UHFFFAOYSA-N 0 0 403.507 5.107 40 0 HKABRN CCc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1 ZINC000020197104 558345508 /nfs/dbraw/zinc/34/55/08/558345508.db2.gz XXXSDHVBDYUSQE-UHFFFAOYSA-N 0 0 422.337 5.260 40 0 HKABRN CCc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000020197107 558345553 /nfs/dbraw/zinc/34/55/53/558345553.db2.gz HTAHQMXLTCBZRP-UHFFFAOYSA-N 0 0 422.337 5.260 40 0 HKABRN CCc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 ZINC000020197109 558345672 /nfs/dbraw/zinc/34/56/72/558345672.db2.gz LNQOCHPDLOKWSP-UHFFFAOYSA-N 0 0 422.337 5.260 40 0 HKABRN CCc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 ZINC000020197112 558345771 /nfs/dbraw/zinc/34/57/71/558345771.db2.gz BKCRHIWFXCIDRR-UHFFFAOYSA-N 0 0 422.337 5.260 40 0 HKABRN CCc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)s1 ZINC000020212948 523973958 /nfs/dbraw/zinc/97/39/58/523973958.db2.gz OJRBHFIHXCUYFG-UHFFFAOYSA-N 0 0 420.559 6.363 40 0 HKABRN COc1ccc(C(=O)N2CN([C@@H](C)c3ccccc3)Cc3c(C)c(C)sc32)cc1 ZINC000020218817 558756265 /nfs/dbraw/zinc/75/62/65/558756265.db2.gz QJXANYIGWNTASY-KRWDZBQOSA-N 0 0 406.551 5.555 40 0 HKABRN COc1ccc(C(=O)N2CN([C@H](C)c3ccccc3)Cc3c(C)c(C)sc32)cc1 ZINC000020218819 558756243 /nfs/dbraw/zinc/75/62/43/558756243.db2.gz QJXANYIGWNTASY-QGZVFWFLSA-N 0 0 406.551 5.555 40 0 HKABRN COc1ccc(C(=O)N2CN(CCc3ccccc3)Cc3c(C)c(C)sc32)cc1 ZINC000020218825 558756267 /nfs/dbraw/zinc/75/62/67/558756267.db2.gz FBGUWVVYVZERDU-UHFFFAOYSA-N 0 0 406.551 5.036 40 0 HKABRN O=C(CSCc1ccccc1Cl)NCCSCc1ccccc1Cl ZINC000020237991 569349541 /nfs/dbraw/zinc/34/95/41/569349541.db2.gz ZNHZOJJIHJEUBQ-UHFFFAOYSA-N 0 0 400.396 5.276 40 0 HKABRN O=C(CSCc1ccccc1Cl)NCCSCc1cccc(Cl)c1 ZINC000020237994 569349539 /nfs/dbraw/zinc/34/95/39/569349539.db2.gz XAPLKFMBLPZSSQ-UHFFFAOYSA-N 0 0 400.396 5.276 40 0 HKABRN O=C(CSCc1ccccc1Cl)NCCSCc1ccc(Cl)cc1 ZINC000020237998 569349545 /nfs/dbraw/zinc/34/95/45/569349545.db2.gz LGDMEMXGJLILJI-UHFFFAOYSA-N 0 0 400.396 5.276 40 0 HKABRN O=C(CSCc1cccc(Cl)c1)NCCSCc1ccccc1Cl ZINC000020238055 569349514 /nfs/dbraw/zinc/34/95/14/569349514.db2.gz CJTJLEMEOGRYAT-UHFFFAOYSA-N 0 0 400.396 5.276 40 0 HKABRN O=C(CSCc1cccc(Cl)c1)NCCSCc1ccc(Cl)cc1 ZINC000020238058 569349535 /nfs/dbraw/zinc/34/95/35/569349535.db2.gz CSIYAAAPZNTJED-UHFFFAOYSA-N 0 0 400.396 5.276 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1)NCCSCc1ccccc1Cl ZINC000020238124 560853850 /nfs/dbraw/zinc/85/38/50/560853850.db2.gz CUUFFNOZCRGTTF-UHFFFAOYSA-N 0 0 400.396 5.276 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1 ZINC000020238129 560853831 /nfs/dbraw/zinc/85/38/31/560853831.db2.gz MWOVYMOYMJUOSL-UHFFFAOYSA-N 0 0 400.396 5.276 40 0 HKABRN Cc1ccc(CSCCNC(=O)CSCc2ccccc2Br)cc1 ZINC000020238163 560853867 /nfs/dbraw/zinc/85/38/67/560853867.db2.gz BEZQPSBDCBQVRT-UHFFFAOYSA-N 0 0 424.429 5.040 40 0 HKABRN O=C(CSCc1ccccc1Br)NCc1ccc(Cl)cc1Cl ZINC000020238172 560853851 /nfs/dbraw/zinc/85/38/51/560853851.db2.gz CMTFKJQVVLGUDV-UHFFFAOYSA-N 0 0 419.171 5.306 40 0 HKABRN O=C(CSCc1ccccc1Br)N1CCC(Cc2ccccc2)CC1 ZINC000020238245 569349540 /nfs/dbraw/zinc/34/95/40/569349540.db2.gz HUQVJAJYOAXJRW-UHFFFAOYSA-N 0 0 418.400 5.164 40 0 HKABRN O=C(CSCc1cccc(Br)c1)NCc1ccc(Cl)cc1Cl ZINC000020238289 560883154 /nfs/dbraw/zinc/88/31/54/560883154.db2.gz RZZVOZZTIFXCFP-UHFFFAOYSA-N 0 0 419.171 5.306 40 0 HKABRN O=C(CSCc1cccc(Br)c1)N1CCC(Cc2ccccc2)CC1 ZINC000020238339 560854144 /nfs/dbraw/zinc/85/41/44/560854144.db2.gz YPRKOCAJIHLUMW-UHFFFAOYSA-N 0 0 418.400 5.164 40 0 HKABRN C[C@@H](Sc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020238500 560883288 /nfs/dbraw/zinc/88/32/88/560883288.db2.gz JRAQADPTWRWWJI-OAQYLSRUSA-N 0 0 416.590 5.101 40 0 HKABRN C[C@H](Sc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020238503 560883325 /nfs/dbraw/zinc/88/33/25/560883325.db2.gz JRAQADPTWRWWJI-NRFANRHFSA-N 0 0 416.590 5.101 40 0 HKABRN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)Sc4ccccc4)cc3)sc2c1 ZINC000020238506 569349552 /nfs/dbraw/zinc/34/95/52/569349552.db2.gz SEZPKXZYGWDQBT-MRXNPFEDSA-N 0 0 404.560 6.391 40 0 HKABRN Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Sc4ccccc4)cc3)sc2c1 ZINC000020238509 569349561 /nfs/dbraw/zinc/34/95/61/569349561.db2.gz SEZPKXZYGWDQBT-INIZCTEOSA-N 0 0 404.560 6.391 40 0 HKABRN O=C(NCc1ccc(Cl)cc1Cl)c1ccc(CSc2ccccc2)cc1 ZINC000020238822 569349567 /nfs/dbraw/zinc/34/95/67/569349567.db2.gz SBRWMHBUKNKAGS-UHFFFAOYSA-N 0 0 402.346 6.216 40 0 HKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(CSc2ccccc2)cc1 ZINC000020238843 560883313 /nfs/dbraw/zinc/88/33/13/560883313.db2.gz WNAHNBXSGZXBTG-UHFFFAOYSA-N 0 0 421.871 6.903 40 0 HKABRN O=C(NCc1ccc(Cl)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000020238873 569349558 /nfs/dbraw/zinc/34/95/58/569349558.db2.gz CWWCHGLJDNPLDL-UHFFFAOYSA-N 0 0 402.346 6.216 40 0 HKABRN O=C(NCCSCc1ccccc1)c1ccc(CSCc2ccccc2)cc1 ZINC000020238898 569349548 /nfs/dbraw/zinc/34/95/48/569349548.db2.gz AVTHQQAKJNPFAQ-UHFFFAOYSA-N 0 0 407.604 5.783 40 0 HKABRN Cc1ccc(CSCCNC(=O)c2ccc(CSCc3ccccc3)cc2)cc1 ZINC000020238902 569349524 /nfs/dbraw/zinc/34/95/24/569349524.db2.gz KTKIBNUMZLEAJN-UHFFFAOYSA-N 0 0 421.631 6.092 40 0 HKABRN O=C(NCc1ccc(Cl)cc1Cl)c1ccc(CSCc2ccccc2)cc1 ZINC000020238917 569349565 /nfs/dbraw/zinc/34/95/65/569349565.db2.gz WFWGKNQWXCDHMC-UHFFFAOYSA-N 0 0 416.373 6.357 40 0 HKABRN COc1ccc(CCNC(=O)c2ccc(CSCc3ccccc3)cc2)cc1OC ZINC000020238935 560883275 /nfs/dbraw/zinc/88/32/75/560883275.db2.gz NNKQJRSQBMUQKC-UHFFFAOYSA-N 0 0 421.562 5.110 40 0 HKABRN O=C(c1ccc(CSCc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000020239005 560883227 /nfs/dbraw/zinc/88/32/27/560883227.db2.gz XNXFISVXOJHFBQ-UHFFFAOYSA-N 0 0 415.602 6.215 40 0 HKABRN O=C(CCSc1ccc(Cl)cc1)NCCSCc1cccc(Cl)c1 ZINC000020239033 560854494 /nfs/dbraw/zinc/85/44/94/560854494.db2.gz LFSIILSVHJRPPZ-UHFFFAOYSA-N 0 0 400.396 5.525 40 0 HKABRN Cc1ccc(SCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020239992 560883309 /nfs/dbraw/zinc/88/33/09/560883309.db2.gz XHCPMDKQKZTDGI-UHFFFAOYSA-N 0 0 416.590 5.021 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSCc1ccc(Cl)cc1 ZINC000020240062 560854549 /nfs/dbraw/zinc/85/45/49/560854549.db2.gz RALCMTMLKMEDLO-XBXARRHUSA-N 0 0 400.758 5.710 40 0 HKABRN C=CCOc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000020241949 569349634 /nfs/dbraw/zinc/34/96/34/569349634.db2.gz WGEKCLIEATWGOJ-XQNSMLJCSA-N 0 0 400.434 5.339 40 0 HKABRN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(I)cc1 ZINC000020241962 560883367 /nfs/dbraw/zinc/88/33/67/560883367.db2.gz UYQNUKLPUUAOQE-UHFFFAOYSA-N 0 0 415.230 5.336 40 0 HKABRN O=C(/C(=C/c1ccccc1)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020242099 569349647 /nfs/dbraw/zinc/34/96/47/569349647.db2.gz JRJHBVMDHLIFJN-USWLQZPQSA-N 0 0 408.545 5.085 40 0 HKABRN CCOc1cc([C@H]2Nc3ccccc3C(=O)N2)ccc1OCc1ccc(Cl)cc1 ZINC000020244051 560883403 /nfs/dbraw/zinc/88/34/03/560883403.db2.gz FZKTXERSPLHOBX-QFIPXVFZSA-N 0 0 408.885 5.172 40 0 HKABRN CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2)ccc1OCc1ccc(Cl)cc1 ZINC000020244052 560883376 /nfs/dbraw/zinc/88/33/76/560883376.db2.gz FZKTXERSPLHOBX-JOCHJYFZSA-N 0 0 408.885 5.172 40 0 HKABRN CCOc1cc([C@H]2Nc3ccccc3C(=O)N2)ccc1OCc1cccc(Cl)c1 ZINC000020244054 560883343 /nfs/dbraw/zinc/88/33/43/560883343.db2.gz HGJDCRALIUMWNZ-QFIPXVFZSA-N 0 0 408.885 5.172 40 0 HKABRN CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2)ccc1OCc1cccc(Cl)c1 ZINC000020244055 560883411 /nfs/dbraw/zinc/88/34/11/560883411.db2.gz HGJDCRALIUMWNZ-JOCHJYFZSA-N 0 0 408.885 5.172 40 0 HKABRN O=C(CSCc1ccccc1Br)Nc1c(Cl)cccc1Cl ZINC000020244121 569349598 /nfs/dbraw/zinc/34/95/98/569349598.db2.gz PMPHBJSBQMXRLB-UHFFFAOYSA-N 0 0 405.144 5.628 40 0 HKABRN CC(C)c1ccc(NC(=O)Nc2ccccc2C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000020246653 560883388 /nfs/dbraw/zinc/88/33/88/560883388.db2.gz HPXNBLPCYTZWLH-UHFFFAOYSA-N 0 0 415.537 6.830 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000020246656 560883360 /nfs/dbraw/zinc/88/33/60/560883360.db2.gz VKDGPWRKFXRYRX-UHFFFAOYSA-N 0 0 400.265 5.890 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(C(F)(F)F)c2)cc1 ZINC000020248138 560883380 /nfs/dbraw/zinc/88/33/80/560883380.db2.gz AXLNKBRZLKONGR-UHFFFAOYSA-N 0 0 421.802 6.412 40 0 HKABRN COc1ccc(C2=N/C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)C(=O)O2)cc1 ZINC000020248238 558351628 /nfs/dbraw/zinc/35/16/28/558351628.db2.gz VUGICZGBZBZRSK-HMAPJEAMSA-N 0 0 419.864 5.272 40 0 HKABRN COc1ccc(NC(=O)CSc2cc(C(F)(F)F)cc(-c3cccs3)n2)cc1 ZINC000020249290 558351836 /nfs/dbraw/zinc/35/18/36/558351836.db2.gz DFTUPWZVTRXEKS-UHFFFAOYSA-N 0 0 424.469 5.568 40 0 HKABRN COc1ccc(NC(=S)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000020249425 558351892 /nfs/dbraw/zinc/35/18/92/558351892.db2.gz UKHVHTWELHORSV-UHFFFAOYSA-N 0 0 422.350 5.111 40 0 HKABRN FC(F)(F)c1cc(-c2ccncc2)nc2c(-c3cccc(Br)c3)cnn21 ZINC000020250156 558351924 /nfs/dbraw/zinc/35/19/24/558351924.db2.gz XNMWDRGMZDAIHD-UHFFFAOYSA-N 0 0 419.204 5.240 40 0 HKABRN COc1cccc(C2=N/C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)C(=O)O2)c1 ZINC000020274127 558353349 /nfs/dbraw/zinc/35/33/49/558353349.db2.gz OJJKWVSXUPJTMA-XKZIYDEJSA-N 0 0 419.864 5.272 40 0 HKABRN COc1cccc(C2=N/C(=C\c3cccc(OCc4ccccc4Cl)c3)C(=O)O2)c1 ZINC000020274129 558353306 /nfs/dbraw/zinc/35/33/06/558353306.db2.gz JGFIAZUFXNQZAU-XKZIYDEJSA-N 0 0 419.864 5.272 40 0 HKABRN COc1ccccc1NC(=S)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020275026 524631738 /nfs/dbraw/zinc/63/17/38/524631738.db2.gz SPTKZDQYIDUTBH-UHFFFAOYSA-N 0 0 422.350 5.111 40 0 HKABRN Cc1nc(SCc2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)n[nH]1 ZINC000020293598 558354195 /nfs/dbraw/zinc/35/41/95/558354195.db2.gz CHGMPOIDAVDIDZ-UHFFFAOYSA-N 0 0 414.943 5.526 40 0 HKABRN Cc1nc(SCc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)n[nH]1 ZINC000020293629 558354229 /nfs/dbraw/zinc/35/42/29/558354229.db2.gz DNQMNSBZSMDHHP-UHFFFAOYSA-N 0 0 424.913 5.571 40 0 HKABRN Cc1cc(C)cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)c(C(F)(F)F)c2)c1 ZINC000020345255 524369280 /nfs/dbraw/zinc/36/92/80/524369280.db2.gz YRVYZJXKSGSIHT-UHFFFAOYSA-N 0 0 403.375 6.506 40 0 HKABRN Cc1ccc(C(=O)CSc2nnc(SCC(=O)c3ccc(C)cc3)s2)cc1 ZINC000020357422 558357814 /nfs/dbraw/zinc/35/78/14/558357814.db2.gz RGPJWTAEVGXWMS-UHFFFAOYSA-N 0 0 414.577 5.105 40 0 HKABRN Cc1ccc(NC(=O)CSc2cc(C(F)(F)F)cc(-c3cccs3)n2)cc1 ZINC000020367734 558358845 /nfs/dbraw/zinc/35/88/45/558358845.db2.gz PXPOJWQYHAHITD-UHFFFAOYSA-N 0 0 408.470 5.868 40 0 HKABRN CCCCn1c2c(-c3ccc(Cl)cc3)sc(=S)n2c2ccccc2c1=O ZINC000020378358 521373045 /nfs/dbraw/zinc/37/30/45/521373045.db2.gz FKHIVYYMQGRLEX-UHFFFAOYSA-N 0 0 400.956 6.166 40 0 HKABRN O=c1c2ccccc2n2c(=S)sc(-c3ccccc3)c2n1Cc1ccccc1F ZINC000020378514 568602313 /nfs/dbraw/zinc/60/23/13/568602313.db2.gz BGQSSKRVZHKJAY-UHFFFAOYSA-N 0 0 418.518 5.900 40 0 HKABRN O=c1c2ccccc2n2c(=S)sc(-c3ccccc3)c2n1Cc1ccc(F)cc1 ZINC000020378518 568602326 /nfs/dbraw/zinc/60/23/26/568602326.db2.gz KDALQVWBSBYCSB-UHFFFAOYSA-N 0 0 418.518 5.900 40 0 HKABRN CCCCn1c2c(-c3cccc(Cl)c3)sc(=S)n2c2ccccc2c1=O ZINC000020378698 568602238 /nfs/dbraw/zinc/60/22/38/568602238.db2.gz KOCRFPLCWJYMCX-UHFFFAOYSA-N 0 0 400.956 6.166 40 0 HKABRN CC(C)Cn1c2c(-c3cccc(Cl)c3)sc(=S)n2c2ccccc2c1=O ZINC000020378710 568602254 /nfs/dbraw/zinc/60/22/54/568602254.db2.gz WFDMUQFLZHWBEP-UHFFFAOYSA-N 0 0 400.956 6.022 40 0 HKABRN Cc1ccc(C2=N/C(=C\c3ccccc3OCc3ccc(F)cc3)C(=O)O2)cc1Cl ZINC000020395286 558359809 /nfs/dbraw/zinc/35/98/09/558359809.db2.gz BNHDXQUTJBXXGG-BKUYFWCQSA-N 0 0 421.855 5.711 40 0 HKABRN Cc1ccc2oc(SCC(=O)NC(C3CCCCC3)C3CCCCC3)nc2n1 ZINC000020407908 558360661 /nfs/dbraw/zinc/36/06/61/558360661.db2.gz VWLWRBUCWBHRIX-UHFFFAOYSA-N 0 0 401.576 5.269 40 0 HKABRN Cc1cccc(C2=N/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)O2)c1 ZINC000020408041 558360600 /nfs/dbraw/zinc/36/06/00/558360600.db2.gz RHMSYGSBMUTBJA-PDGQHHTCSA-N 0 0 408.251 5.362 40 0 HKABRN Cc1cccc(C2=N/C(=C\c3cccc(OCc4ccccc4Cl)c3)C(=O)O2)c1 ZINC000020408042 558360597 /nfs/dbraw/zinc/36/05/97/558360597.db2.gz UKXZUAAGPXEKJD-HMAPJEAMSA-N 0 0 403.865 5.572 40 0 HKABRN Cc1cccc(NC(=O)CSc2cc(C(F)(F)F)cc(-c3cccs3)n2)c1 ZINC000020408242 524600995 /nfs/dbraw/zinc/60/09/95/524600995.db2.gz MKFPVCMIPDVDGG-UHFFFAOYSA-N 0 0 408.470 5.868 40 0 HKABRN Cc1cccc(NC(=S)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000020408302 558360622 /nfs/dbraw/zinc/36/06/22/558360622.db2.gz DTHQNOQQQPUUNM-UHFFFAOYSA-N 0 0 406.351 5.411 40 0 HKABRN CC(C)c1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 ZINC000020410980 560883697 /nfs/dbraw/zinc/88/36/97/560883697.db2.gz ISULTJFCONVNSI-UHFFFAOYSA-N 0 0 405.479 5.517 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1Cl ZINC000020410982 560883689 /nfs/dbraw/zinc/88/36/89/560883689.db2.gz ZOOAZACCJDUUMZ-UHFFFAOYSA-N 0 0 411.870 5.356 40 0 HKABRN CCCOc1cccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)c1 ZINC000020411015 560883714 /nfs/dbraw/zinc/88/37/14/560883714.db2.gz DSPPVKZLPLNBBH-UHFFFAOYSA-N 0 0 421.478 5.183 40 0 HKABRN O=C(Nc1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2s1)c1ccco1 ZINC000020411035 560883721 /nfs/dbraw/zinc/88/37/21/560883721.db2.gz GOMSYLUFXMGPCN-UHFFFAOYSA-N 0 0 403.419 5.140 40 0 HKABRN O=C(Nc1nc2ccc(NC(=O)c3cccc4ccccc43)cc2s1)c1ccco1 ZINC000020411054 560883715 /nfs/dbraw/zinc/88/37/15/560883715.db2.gz HOMFUYGPWIGLLY-UHFFFAOYSA-N 0 0 413.458 5.547 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 ZINC000020411067 560883701 /nfs/dbraw/zinc/88/37/01/560883701.db2.gz VESBZNTYJBJQMC-BJMVGYQFSA-N 0 0 423.881 5.447 40 0 HKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)cc1 ZINC000020411171 560883718 /nfs/dbraw/zinc/88/37/18/560883718.db2.gz GZAHTAIHFQSULC-UHFFFAOYSA-N 0 0 412.533 7.168 40 0 HKABRN CC(C)Oc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000020411213 560884113 /nfs/dbraw/zinc/88/41/13/560884113.db2.gz FNVJCHIFFWVQKZ-UHFFFAOYSA-N 0 0 414.505 6.658 40 0 HKABRN CCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 ZINC000020411218 560884119 /nfs/dbraw/zinc/88/41/19/560884119.db2.gz KYOTWTMNWBXHDO-UHFFFAOYSA-N 0 0 414.505 6.659 40 0 HKABRN CC(C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 ZINC000020411219 560884109 /nfs/dbraw/zinc/88/41/09/560884109.db2.gz YRINPOAEMCKDNR-UHFFFAOYSA-N 0 0 414.505 6.658 40 0 HKABRN COc1ccc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 ZINC000020411227 560884112 /nfs/dbraw/zinc/88/41/12/560884112.db2.gz FTUMLNHIIMKZAC-UHFFFAOYSA-N 0 0 420.896 6.533 40 0 HKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4cccc5ccccc54)ccc3o2)cc1 ZINC000020411259 560884108 /nfs/dbraw/zinc/88/41/08/560884108.db2.gz AHMVNRPPKQJUBZ-UHFFFAOYSA-N 0 0 406.485 7.024 40 0 HKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)cc4)ccc3o2)cc1 ZINC000020411264 560883719 /nfs/dbraw/zinc/88/37/19/560883719.db2.gz UTNBAESLEATKCP-LHHJGKSTSA-N 0 0 416.908 6.924 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000020411266 560883722 /nfs/dbraw/zinc/88/37/22/560883722.db2.gz AGEGFIPYQBQUAM-FRKPEAEDSA-N 0 0 424.544 7.394 40 0 HKABRN COc1ccc(/C=C/C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000020411268 560883687 /nfs/dbraw/zinc/88/36/87/560883687.db2.gz ITKUASZGJRPHCJ-GIDUJCDVSA-N 0 0 412.489 6.279 40 0 HKABRN Cc1ccccc1OCC(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 ZINC000020411297 560883693 /nfs/dbraw/zinc/88/36/93/560883693.db2.gz QZZTUBWAHFBWCD-UHFFFAOYSA-N 0 0 400.478 5.944 40 0 HKABRN Cc1cccc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 ZINC000020411299 560883712 /nfs/dbraw/zinc/88/37/12/560883712.db2.gz SEASALCOTSOMCF-UHFFFAOYSA-N 0 0 400.478 5.944 40 0 HKABRN Cc1cccc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1C ZINC000020411310 560883690 /nfs/dbraw/zinc/88/36/90/560883690.db2.gz PMIXYYJLPIMBSD-UHFFFAOYSA-N 0 0 414.505 6.253 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c(C)c1 ZINC000020411312 560883709 /nfs/dbraw/zinc/88/37/09/560883709.db2.gz ZTQPUARLUPMZEJ-UHFFFAOYSA-N 0 0 414.505 6.253 40 0 HKABRN COc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000020411314 560883798 /nfs/dbraw/zinc/88/37/98/560883798.db2.gz BTZSFAHJRRCHSH-UHFFFAOYSA-N 0 0 416.477 5.644 40 0 HKABRN CC(C)c1ccc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)cc1 ZINC000020411320 560883820 /nfs/dbraw/zinc/88/38/20/560883820.db2.gz BZCYIMQCLKIJFH-UHFFFAOYSA-N 0 0 420.896 6.289 40 0 HKABRN CC(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccs4)ccc3o2)cc1 ZINC000020411384 560883807 /nfs/dbraw/zinc/88/38/07/560883807.db2.gz WPRWCKAIUYBAKE-UHFFFAOYSA-N 0 0 421.547 5.807 40 0 HKABRN CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000020411405 560883785 /nfs/dbraw/zinc/88/37/85/560883785.db2.gz FFABJTSTTGIVQJ-UHFFFAOYSA-N 0 0 423.321 5.812 40 0 HKABRN CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2c1 ZINC000020411408 560883825 /nfs/dbraw/zinc/88/38/25/560883825.db2.gz WOYXSIUGEOFIFK-UHFFFAOYSA-N 0 0 423.321 5.812 40 0 HKABRN CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(OC(C)C)cc3)sc2c1 ZINC000020411439 560883835 /nfs/dbraw/zinc/88/38/35/560883835.db2.gz UVCUDXFXCLZLPN-UHFFFAOYSA-N 0 0 412.511 5.293 40 0 HKABRN CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc(OCCC)c3)sc2c1 ZINC000020411441 560883790 /nfs/dbraw/zinc/88/37/90/560883790.db2.gz SXVBKYKIFLTCLI-UHFFFAOYSA-N 0 0 412.511 5.294 40 0 HKABRN CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc(OC(C)C)c3)sc2c1 ZINC000020411445 560883794 /nfs/dbraw/zinc/88/37/94/560883794.db2.gz CXJGEXLLCUNXKZ-UHFFFAOYSA-N 0 0 412.511 5.293 40 0 HKABRN CCCCOC(=O)c1ccc2nc(NC(=O)c3cc(Cl)ccc3OC)sc2c1 ZINC000020411448 560883800 /nfs/dbraw/zinc/88/38/00/560883800.db2.gz ZIQDCAKSBBWTML-UHFFFAOYSA-N 0 0 418.902 5.168 40 0 HKABRN CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc4ccccc43)sc2c1 ZINC000020411482 560883842 /nfs/dbraw/zinc/88/38/42/560883842.db2.gz UDKJAERXFFNSHI-UHFFFAOYSA-N 0 0 404.491 5.659 40 0 HKABRN CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)o3)sc2c1 ZINC000020411511 560883802 /nfs/dbraw/zinc/88/38/02/560883802.db2.gz GFRUULRCXNOMQJ-UHFFFAOYSA-N 0 0 420.490 5.766 40 0 HKABRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3cccc(Cl)c3Cl)sc2c1 ZINC000020411740 560883823 /nfs/dbraw/zinc/88/38/23/560883823.db2.gz JBJLGTKHAYPCDK-UHFFFAOYSA-N 0 0 409.294 5.421 40 0 HKABRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 ZINC000020411751 560883796 /nfs/dbraw/zinc/88/37/96/560883796.db2.gz UDIPSILFQNXDNX-UHFFFAOYSA-N 0 0 416.502 5.781 40 0 HKABRN CCOc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1Cl ZINC000020411763 560883833 /nfs/dbraw/zinc/88/38/33/560883833.db2.gz ZFLCSBMIMDSXQF-UHFFFAOYSA-N 0 0 418.902 5.166 40 0 HKABRN CC(C)OC(=O)c1ccc2nc(NC(=O)CSc3ccc(Cl)cc3)sc2c1 ZINC000020411801 560883895 /nfs/dbraw/zinc/88/38/95/560883895.db2.gz UHXVKGVDGWKOJZ-UHFFFAOYSA-N 0 0 420.943 5.246 40 0 HKABRN CC(C)OC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(Cl)cc3)sc2c1 ZINC000020411812 560883886 /nfs/dbraw/zinc/88/38/86/560883886.db2.gz WYQDCZSFWXHCRW-BJMVGYQFSA-N 0 0 400.887 5.167 40 0 HKABRN CCc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)cc1 ZINC000020411911 560883913 /nfs/dbraw/zinc/88/39/13/560883913.db2.gz AGGZVKUBPCORRI-UHFFFAOYSA-N 0 0 402.450 5.327 40 0 HKABRN COc1ccc(-c2nc3cc(NC(=O)c4ccc(C(C)C)cc4)ccc3o2)cc1OC ZINC000020411913 560883889 /nfs/dbraw/zinc/88/38/89/560883889.db2.gz UNGMLKJPRMJLSU-UHFFFAOYSA-N 0 0 416.477 5.888 40 0 HKABRN COc1ccc(-c2nc3cc(NC(=O)c4ccc(C)c(Cl)c4)ccc3o2)cc1OC ZINC000020411915 560883901 /nfs/dbraw/zinc/88/39/01/560883901.db2.gz HQEPJOOSMUGMIR-UHFFFAOYSA-N 0 0 422.868 5.726 40 0 HKABRN COc1ccc(-c2nc3cc(NC(=O)c4cccc(Cl)c4)ccc3o2)cc1OC ZINC000020411919 560883881 /nfs/dbraw/zinc/88/38/81/560883881.db2.gz PQEFRERWFCYQHW-UHFFFAOYSA-N 0 0 408.841 5.418 40 0 HKABRN COc1ccc(-c2nc3cc(NC(=O)c4cc5ccccc5o4)ccc3o2)cc1OC ZINC000020411980 560883911 /nfs/dbraw/zinc/88/39/11/560883911.db2.gz KXANAFNEYPLDTO-UHFFFAOYSA-N 0 0 414.417 5.511 40 0 HKABRN COc1c(Cl)cc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1Cl ZINC000020412093 560883883 /nfs/dbraw/zinc/88/38/83/560883883.db2.gz MVNRYWNUGYCHHC-UHFFFAOYSA-N 0 0 422.308 5.744 40 0 HKABRN CCOc1cc(OCC)cc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)c1 ZINC000020412096 560883888 /nfs/dbraw/zinc/88/38/88/560883888.db2.gz NHOLABIXXZIUSF-UHFFFAOYSA-N 0 0 411.498 5.226 40 0 HKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000020412119 560883900 /nfs/dbraw/zinc/88/39/00/560883900.db2.gz KFCYAZIHPCIIKE-UHFFFAOYSA-N 0 0 422.308 5.744 40 0 HKABRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1sc2ccccc2c1Cl ZINC000020412130 560883908 /nfs/dbraw/zinc/88/39/08/560883908.db2.gz NMDSPSFBFJTVMG-UHFFFAOYSA-N 0 0 413.926 6.297 40 0 HKABRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)C(c1ccccc1)c1ccccc1 ZINC000020412135 560883897 /nfs/dbraw/zinc/88/38/97/560883897.db2.gz RLTMWYQSUSVIDS-UHFFFAOYSA-N 0 0 413.517 5.947 40 0 HKABRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1cccc2c(Cl)cccc12 ZINC000020412139 560883879 /nfs/dbraw/zinc/88/38/79/560883879.db2.gz DXDXHQHKNHSIAA-UHFFFAOYSA-N 0 0 407.897 6.235 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000020412166 560883885 /nfs/dbraw/zinc/88/38/85/560883885.db2.gz RECOCLDYJRGUDC-FBMGVBCBSA-N 0 0 415.489 6.088 40 0 HKABRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000020412177 560883896 /nfs/dbraw/zinc/88/38/96/560883896.db2.gz VYXUBWIGQLRSMM-UHFFFAOYSA-N 0 0 423.896 6.342 40 0 HKABRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(-c2ccccc2Cl)o1 ZINC000020412182 560883904 /nfs/dbraw/zinc/88/39/04/560883904.db2.gz SPTDDONURMILDG-UHFFFAOYSA-N 0 0 423.896 6.342 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000020412208 560883898 /nfs/dbraw/zinc/88/38/98/560883898.db2.gz GTZMMWWZVWTKBE-UHFFFAOYSA-N 0 0 415.917 5.626 40 0 HKABRN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 ZINC000020412223 560883965 /nfs/dbraw/zinc/88/39/65/560883965.db2.gz JWWIIBTWISWHNC-UHFFFAOYSA-N 0 0 424.566 5.426 40 0 HKABRN COC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccc(F)cc4)o3)sc2c1 ZINC000020412360 560883982 /nfs/dbraw/zinc/88/39/82/560883982.db2.gz AYVFAPOYBSFCTB-DHZHZOJOSA-N 0 0 422.437 5.134 40 0 HKABRN COC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2c1 ZINC000020412368 560884009 /nfs/dbraw/zinc/88/40/09/560884009.db2.gz MATHQWJBPRWEKL-UHFFFAOYSA-N 0 0 412.854 5.249 40 0 HKABRN Nc1c(Br)cc2oc(-c3ccc(F)c(Cl)c3)nc2c1Br ZINC000020436565 560882005 /nfs/dbraw/zinc/88/20/05/560882005.db2.gz AGHWHVMYKMXEIT-UHFFFAOYSA-N 0 0 420.463 5.395 40 0 HKABRN Cc1ccccc1[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000020450130 525371285 /nfs/dbraw/zinc/37/12/85/525371285.db2.gz CAUXBQZWHLLPJJ-NLFFAJNJSA-N 0 0 401.550 5.966 40 0 HKABRN Cc1ccccc1[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000020450133 558365130 /nfs/dbraw/zinc/36/51/30/558365130.db2.gz CAUXBQZWHLLPJJ-CPJSRVTESA-N 0 0 401.550 5.966 40 0 HKABRN Cc1ccccc1[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000020450134 558365140 /nfs/dbraw/zinc/36/51/40/558365140.db2.gz CAUXBQZWHLLPJJ-CJFMBICVSA-N 0 0 401.550 5.966 40 0 HKABRN Cc1ccccc1[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000020450135 525428249 /nfs/dbraw/zinc/42/82/49/525428249.db2.gz CAUXBQZWHLLPJJ-NBGIEHNGSA-N 0 0 401.550 5.966 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1OC ZINC000020450218 558365065 /nfs/dbraw/zinc/36/50/65/558365065.db2.gz MHCMZOZBOYWNIK-INIZCTEOSA-N 0 0 409.507 5.615 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1OC ZINC000020450219 558365090 /nfs/dbraw/zinc/36/50/90/558365090.db2.gz MHCMZOZBOYWNIK-MRXNPFEDSA-N 0 0 409.507 5.615 40 0 HKABRN CC[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C)cc1 ZINC000020450798 522784634 /nfs/dbraw/zinc/78/46/34/522784634.db2.gz CSXUWPAATXEXRB-HSZRJFAPSA-N 0 0 409.982 6.822 40 0 HKABRN CC[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C)cc1 ZINC000020450800 558365584 /nfs/dbraw/zinc/36/55/84/558365584.db2.gz CSXUWPAATXEXRB-QHCPKHFHSA-N 0 0 409.982 6.822 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000020451076 521222007 /nfs/dbraw/zinc/22/20/07/521222007.db2.gz MADWJGCKNNXRLK-LJQANCHMSA-N 0 0 421.562 5.747 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000020451078 521256433 /nfs/dbraw/zinc/25/64/33/521256433.db2.gz MADWJGCKNNXRLK-IBGZPJMESA-N 0 0 421.562 5.747 40 0 HKABRN CC(C)C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccccc1 ZINC000020451157 558365817 /nfs/dbraw/zinc/36/58/17/558365817.db2.gz ZIWJLDRLXKKHQB-QGZVFWFLSA-N 0 0 410.739 5.385 40 0 HKABRN CC(C)C[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccccc1 ZINC000020451159 558365805 /nfs/dbraw/zinc/36/58/05/558365805.db2.gz ZIWJLDRLXKKHQB-KRWDZBQOSA-N 0 0 410.739 5.385 40 0 HKABRN CCSc1ccccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020451233 558365781 /nfs/dbraw/zinc/36/57/81/558365781.db2.gz WORSDKXYKKCWSI-UHFFFAOYSA-N 0 0 402.563 6.004 40 0 HKABRN COc1ccc(OC)c(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 ZINC000020451238 524867027 /nfs/dbraw/zinc/86/70/27/524867027.db2.gz CPTCDUQENSJVTB-UHFFFAOYSA-N 0 0 409.507 5.127 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccccc2Cl)cc1OCC ZINC000020451568 521219377 /nfs/dbraw/zinc/21/93/77/521219377.db2.gz YYQYEPUMHXDFKP-CRAIPNDOSA-N 0 0 405.922 5.172 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccccc2Cl)cc1OCC ZINC000020451570 558366033 /nfs/dbraw/zinc/36/60/33/558366033.db2.gz YYQYEPUMHXDFKP-MAUKXSAKSA-N 0 0 405.922 5.172 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccccc2Cl)cc1OCC ZINC000020451572 521221802 /nfs/dbraw/zinc/22/18/02/521221802.db2.gz YYQYEPUMHXDFKP-QAPCUYQASA-N 0 0 405.922 5.172 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccccc2Cl)cc1OCC ZINC000020451574 558366103 /nfs/dbraw/zinc/36/61/03/558366103.db2.gz YYQYEPUMHXDFKP-YJBOKZPZSA-N 0 0 405.922 5.172 40 0 HKABRN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000020451637 527224097 /nfs/dbraw/zinc/22/40/97/527224097.db2.gz KRZQQIWLDNNGEK-UHFFFAOYSA-N 0 0 420.896 5.298 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000020451810 523046845 /nfs/dbraw/zinc/04/68/45/523046845.db2.gz JNEMURHYIZWYFQ-LJQANCHMSA-N 0 0 423.534 5.363 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000020451812 558366057 /nfs/dbraw/zinc/36/60/57/558366057.db2.gz JNEMURHYIZWYFQ-IBGZPJMESA-N 0 0 423.534 5.363 40 0 HKABRN CC(C)c1ccc(CCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000020451831 558366092 /nfs/dbraw/zinc/36/60/92/558366092.db2.gz LBXMWUXHXFTDLF-UHFFFAOYSA-N 0 0 419.590 5.954 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000020451916 558366078 /nfs/dbraw/zinc/36/60/78/558366078.db2.gz WIJGJTBXCLNFNB-VPUSJEBWSA-N 0 0 409.529 6.211 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000020451918 558366331 /nfs/dbraw/zinc/36/63/31/558366331.db2.gz WIJGJTBXCLNFNB-BDYUSTAISA-N 0 0 409.529 6.211 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000020451920 558366289 /nfs/dbraw/zinc/36/62/89/558366289.db2.gz WIJGJTBXCLNFNB-XNMGPUDCSA-N 0 0 409.529 6.211 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000020451922 522889365 /nfs/dbraw/zinc/88/93/65/522889365.db2.gz WIJGJTBXCLNFNB-AHKZPQOWSA-N 0 0 409.529 6.211 40 0 HKABRN O=C(NCCCc1ccccc1Cl)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020452341 558366515 /nfs/dbraw/zinc/36/65/15/558366515.db2.gz WVZTXKSANKYGLB-UHFFFAOYSA-N 0 0 418.968 5.655 40 0 HKABRN O=S(=O)(NCCCc1ccccc1Cl)c1ccc(Oc2ccccc2)cc1 ZINC000020452495 558366589 /nfs/dbraw/zinc/36/65/89/558366589.db2.gz FRWISODFOCIXQU-UHFFFAOYSA-N 0 0 401.915 5.043 40 0 HKABRN Cc1ccc([C@@H](NC(=O)CN2c3cccc4cccc(c34)C2=O)c2ccccc2)cc1 ZINC000020452559 558366895 /nfs/dbraw/zinc/36/68/95/558366895.db2.gz SAEFCPDAYIZBOM-SANMLTNESA-N 0 0 406.485 5.014 40 0 HKABRN Cc1ccc([C@H](NC(=O)CN2c3cccc4cccc(c34)C2=O)c2ccccc2)cc1 ZINC000020452563 558366846 /nfs/dbraw/zinc/36/68/46/558366846.db2.gz SAEFCPDAYIZBOM-AREMUKBSSA-N 0 0 406.485 5.014 40 0 HKABRN COc1ccccc1CCCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020452600 558366853 /nfs/dbraw/zinc/36/68/53/558366853.db2.gz WXVVEACHKZXPNO-UHFFFAOYSA-N 0 0 414.549 5.011 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000020452603 558366850 /nfs/dbraw/zinc/36/68/50/558366850.db2.gz RHYMNXVUWKHQPV-UHFFFAOYSA-N 0 0 413.926 5.772 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020452881 558367155 /nfs/dbraw/zinc/36/71/55/558367155.db2.gz WFMBZEHLZWTHFW-JOCHJYFZSA-N 0 0 421.924 5.984 40 0 HKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020452883 558367098 /nfs/dbraw/zinc/36/70/98/558367098.db2.gz WFMBZEHLZWTHFW-QFIPXVFZSA-N 0 0 421.924 5.984 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc(OC)cc1 ZINC000020452923 558367146 /nfs/dbraw/zinc/36/71/46/558367146.db2.gz ZZQUUMBPYMTZPW-CAZPATRMSA-N 0 0 405.925 6.157 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc(OC)cc1 ZINC000020452925 558367180 /nfs/dbraw/zinc/36/71/80/558367180.db2.gz ZZQUUMBPYMTZPW-INOOMSPWSA-N 0 0 405.925 6.157 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)sc2c1CCCC2 ZINC000020452963 558367106 /nfs/dbraw/zinc/36/71/06/558367106.db2.gz SMDHEOVWEWLKNA-MRXNPFEDSA-N 0 0 421.946 5.253 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2cccc(Cl)c2)sc2c1CCCC2 ZINC000020452965 558367126 /nfs/dbraw/zinc/36/71/26/558367126.db2.gz SMDHEOVWEWLKNA-INIZCTEOSA-N 0 0 421.946 5.253 40 0 HKABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 ZINC000020453215 558367538 /nfs/dbraw/zinc/36/75/38/558367538.db2.gz GWPAFHGFSHXVHZ-LJQANCHMSA-N 0 0 408.542 5.080 40 0 HKABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 ZINC000020453217 524249019 /nfs/dbraw/zinc/24/90/19/524249019.db2.gz GWPAFHGFSHXVHZ-IBGZPJMESA-N 0 0 408.542 5.080 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1OCC ZINC000020453384 558367540 /nfs/dbraw/zinc/36/75/40/558367540.db2.gz BINSNWYRCHXREE-QVKFZJNVSA-N 0 0 421.990 5.886 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1OCC ZINC000020453386 558367523 /nfs/dbraw/zinc/36/75/23/558367523.db2.gz BINSNWYRCHXREE-YCRPNKLZSA-N 0 0 421.990 5.886 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1OCC ZINC000020453388 558367512 /nfs/dbraw/zinc/36/75/12/558367512.db2.gz BINSNWYRCHXREE-VFNWGFHPSA-N 0 0 421.990 5.886 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1OCC ZINC000020453390 558367479 /nfs/dbraw/zinc/36/74/79/558367479.db2.gz BINSNWYRCHXREE-BTYIYWSLSA-N 0 0 421.990 5.886 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1Cl ZINC000020453400 558367474 /nfs/dbraw/zinc/36/74/74/558367474.db2.gz ZIISKCINGMCONV-UHFFFAOYSA-N 0 0 416.301 5.181 40 0 HKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000020454144 558368093 /nfs/dbraw/zinc/36/80/93/558368093.db2.gz YTUYAIKBIXSJMO-RUZDIDTESA-N 0 0 421.512 5.495 40 0 HKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000020454147 558368073 /nfs/dbraw/zinc/36/80/73/558368073.db2.gz YTUYAIKBIXSJMO-VWLOTQADSA-N 0 0 421.512 5.495 40 0 HKABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000020454220 558368116 /nfs/dbraw/zinc/36/81/16/558368116.db2.gz DXKLNUFPJGLGOV-HSZRJFAPSA-N 0 0 409.526 6.223 40 0 HKABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000020454222 558368066 /nfs/dbraw/zinc/36/80/66/558368066.db2.gz DXKLNUFPJGLGOV-QHCPKHFHSA-N 0 0 409.526 6.223 40 0 HKABRN O=C(CSCc1ccc(F)cc1)NCCSCc1c(Cl)cccc1Cl ZINC000020454253 558368307 /nfs/dbraw/zinc/36/83/07/558368307.db2.gz LITOZBWGGXELPN-UHFFFAOYSA-N 0 0 418.386 5.415 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1Cl ZINC000020454497 558368320 /nfs/dbraw/zinc/36/83/20/558368320.db2.gz MDXPIJOJHFACES-QGZVFWFLSA-N 0 0 412.338 5.680 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1Cl ZINC000020454499 558368359 /nfs/dbraw/zinc/36/83/59/558368359.db2.gz MDXPIJOJHFACES-KRWDZBQOSA-N 0 0 412.338 5.680 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 ZINC000020454542 558368304 /nfs/dbraw/zinc/36/83/04/558368304.db2.gz ASZTWBSOJAZVOM-OXQOHEQNSA-N 0 0 417.571 5.097 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 ZINC000020454544 558368326 /nfs/dbraw/zinc/36/83/26/558368326.db2.gz ASZTWBSOJAZVOM-UZLBHIALSA-N 0 0 417.571 5.097 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 ZINC000020454546 558368352 /nfs/dbraw/zinc/36/83/52/558368352.db2.gz ASZTWBSOJAZVOM-OXJNMPFZSA-N 0 0 417.571 5.097 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 ZINC000020454548 558368312 /nfs/dbraw/zinc/36/83/12/558368312.db2.gz ASZTWBSOJAZVOM-JXFKEZNVSA-N 0 0 417.571 5.097 40 0 HKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc2ccccc21 ZINC000020454558 558368324 /nfs/dbraw/zinc/36/83/24/558368324.db2.gz WMAWOKGZPWQGBT-VGOFRKELSA-N 0 0 404.510 5.164 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)N[C@@H](C)CC ZINC000020454560 558368317 /nfs/dbraw/zinc/36/83/17/558368317.db2.gz WMAWOKGZPWQGBT-HTAPYJJXSA-N 0 0 404.510 5.164 40 0 HKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc2ccccc21 ZINC000020454562 558368286 /nfs/dbraw/zinc/36/82/86/558368286.db2.gz WMAWOKGZPWQGBT-VGSWGCGISA-N 0 0 404.510 5.164 40 0 HKABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc2ccccc21 ZINC000020454564 558368261 /nfs/dbraw/zinc/36/82/61/558368261.db2.gz WMAWOKGZPWQGBT-JTSKRJEESA-N 0 0 404.510 5.164 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1cccc(Cl)c1 ZINC000020455084 558368929 /nfs/dbraw/zinc/36/89/29/558368929.db2.gz SFCWHGLDRMUAFR-GOSISDBHSA-N 0 0 414.423 5.914 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1cccc(Cl)c1 ZINC000020455086 558368891 /nfs/dbraw/zinc/36/88/91/558368891.db2.gz SFCWHGLDRMUAFR-SFHVURJKSA-N 0 0 414.423 5.914 40 0 HKABRN COc1ccc(CNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1OC ZINC000020455126 558368925 /nfs/dbraw/zinc/36/89/25/558368925.db2.gz IFYAYYBBPGAUFC-HMMYKYKNSA-N 0 0 407.897 5.214 40 0 HKABRN CC[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(C)cc1 ZINC000020455268 558368988 /nfs/dbraw/zinc/36/89/88/558368988.db2.gz VAAUMBGGYOMJPO-LJQANCHMSA-N 0 0 412.327 5.557 40 0 HKABRN CC[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(C)cc1 ZINC000020455270 558368855 /nfs/dbraw/zinc/36/88/55/558368855.db2.gz VAAUMBGGYOMJPO-IBGZPJMESA-N 0 0 412.327 5.557 40 0 HKABRN Cc1ccc([C@@H](NC(=O)/C(=C/c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000020455470 558369143 /nfs/dbraw/zinc/36/91/43/558369143.db2.gz JPVUMGNGOCMMRO-KYERJPCBSA-N 0 0 403.525 6.441 40 0 HKABRN Cc1ccc([C@H](NC(=O)/C(=C/c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000020455472 558369139 /nfs/dbraw/zinc/36/91/39/558369139.db2.gz JPVUMGNGOCMMRO-SQDLFYSFSA-N 0 0 403.525 6.441 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000020455538 523054990 /nfs/dbraw/zinc/05/49/90/523054990.db2.gz NWXYEDAQDGIMMU-OAQYLSRUSA-N 0 0 404.510 5.164 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000020455540 522889436 /nfs/dbraw/zinc/88/94/36/522889436.db2.gz NWXYEDAQDGIMMU-NRFANRHFSA-N 0 0 404.510 5.164 40 0 HKABRN CC(C)Oc1ccc(CNC(=O)COc2ccc(C(C)C)cc2Br)cc1 ZINC000020456076 558369448 /nfs/dbraw/zinc/36/94/48/558369448.db2.gz SAYOWXIBIUWYOH-UHFFFAOYSA-N 0 0 420.347 5.055 40 0 HKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020456330 558369985 /nfs/dbraw/zinc/36/99/85/558369985.db2.gz QKEARJHOGZJZIV-RUZDIDTESA-N 0 0 400.522 6.227 40 0 HKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020456331 522872183 /nfs/dbraw/zinc/87/21/83/522872183.db2.gz QKEARJHOGZJZIV-VWLOTQADSA-N 0 0 400.522 6.227 40 0 HKABRN O=C(Nc1cccc(Cl)c1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020456409 558369990 /nfs/dbraw/zinc/36/99/90/558369990.db2.gz KFZJOWHNFHUZKV-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC000020456523 558370045 /nfs/dbraw/zinc/37/00/45/558370045.db2.gz MZZRPWLGXKOBLS-JOCHJYFZSA-N 0 0 407.510 5.109 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC000020456524 558369999 /nfs/dbraw/zinc/36/99/99/558369999.db2.gz MZZRPWLGXKOBLS-QFIPXVFZSA-N 0 0 407.510 5.109 40 0 HKABRN COc1ccc(SCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000020456592 558370023 /nfs/dbraw/zinc/37/00/23/558370023.db2.gz RNNNJGUINGJWQG-UHFFFAOYSA-N 0 0 416.395 5.144 40 0 HKABRN Cc1ccc(SCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000020456613 525657197 /nfs/dbraw/zinc/65/71/97/525657197.db2.gz DJKWUPYQEGBUMG-UHFFFAOYSA-N 0 0 400.396 5.444 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)ccc21 ZINC000020456663 558370059 /nfs/dbraw/zinc/37/00/59/558370059.db2.gz CFHSKANPNJLSTI-GOSISDBHSA-N 0 0 400.522 6.344 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)ccc21 ZINC000020456664 558370055 /nfs/dbraw/zinc/37/00/55/558370055.db2.gz CFHSKANPNJLSTI-SFHVURJKSA-N 0 0 400.522 6.344 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)sc2c1CCCC2 ZINC000020456674 521410559 /nfs/dbraw/zinc/41/05/59/521410559.db2.gz PEPLLBHAORKQRV-MRXNPFEDSA-N 0 0 415.555 5.135 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)sc2c1CCCC2 ZINC000020456675 521410192 /nfs/dbraw/zinc/41/01/92/521410192.db2.gz PEPLLBHAORKQRV-INIZCTEOSA-N 0 0 415.555 5.135 40 0 HKABRN O=C(NCc1ccccc1-n1ccnc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000020456777 558370227 /nfs/dbraw/zinc/37/02/27/558370227.db2.gz QPDAPYDXMAUNNY-CJLVFECKSA-N 0 0 413.908 5.383 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000020456798 558370220 /nfs/dbraw/zinc/37/02/20/558370220.db2.gz VSEHGSACHKIXFL-SFHVURJKSA-N 0 0 424.500 5.592 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000020456799 523061029 /nfs/dbraw/zinc/06/10/29/523061029.db2.gz VSEHGSACHKIXFL-GOSISDBHSA-N 0 0 424.500 5.592 40 0 HKABRN O=C(Nc1ccc(Br)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020456808 527156937 /nfs/dbraw/zinc/15/69/37/527156937.db2.gz LVUYQNXURPXMRY-UHFFFAOYSA-N 0 0 407.311 5.264 40 0 HKABRN CCOC(=O)c1cc(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)ccc1Cl ZINC000020457107 558370526 /nfs/dbraw/zinc/37/05/26/558370526.db2.gz JBGQFPWMPYAXPJ-QGZVFWFLSA-N 0 0 412.338 5.680 40 0 HKABRN CCOC(=O)c1cc(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)ccc1Cl ZINC000020457108 558370514 /nfs/dbraw/zinc/37/05/14/558370514.db2.gz JBGQFPWMPYAXPJ-KRWDZBQOSA-N 0 0 412.338 5.680 40 0 HKABRN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000020457150 558370547 /nfs/dbraw/zinc/37/05/47/558370547.db2.gz JLTDQQDIRCMJCA-BKUYFWCQSA-N 0 0 424.283 5.917 40 0 HKABRN O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000020457152 558370489 /nfs/dbraw/zinc/37/04/89/558370489.db2.gz BGSPCAGUHZVBMY-MTJSOVHGSA-N 0 0 424.283 5.917 40 0 HKABRN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1cccc(OCc2ccc(F)cc2)c1 ZINC000020457159 558370529 /nfs/dbraw/zinc/37/05/29/558370529.db2.gz KFVAQVGWZJZLQD-BKUYFWCQSA-N 0 0 407.828 5.403 40 0 HKABRN CC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccccc1 ZINC000020457275 558370443 /nfs/dbraw/zinc/37/04/43/558370443.db2.gz KZUDYECZRGWKAT-GOSISDBHSA-N 0 0 404.348 5.393 40 0 HKABRN CC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccccc1 ZINC000020457278 522390790 /nfs/dbraw/zinc/39/07/90/522390790.db2.gz KZUDYECZRGWKAT-SFHVURJKSA-N 0 0 404.348 5.393 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020457341 527110941 /nfs/dbraw/zinc/11/09/41/527110941.db2.gz UNOURZCONYAKMJ-UHFFFAOYSA-N 0 0 411.332 6.199 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1Cl ZINC000020457426 558370666 /nfs/dbraw/zinc/37/06/66/558370666.db2.gz MZOLYHIVHGXSKK-UHFFFAOYSA-N 0 0 413.926 5.772 40 0 HKABRN CC(C)Oc1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 ZINC000020457631 558370673 /nfs/dbraw/zinc/37/06/73/558370673.db2.gz AJRIAAIMTYRIKM-UHFFFAOYSA-N 0 0 407.535 5.897 40 0 HKABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 ZINC000020457733 558370719 /nfs/dbraw/zinc/37/07/19/558370719.db2.gz SMZFENQLCWMEFB-OAQYLSRUSA-N 0 0 419.590 6.619 40 0 HKABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 ZINC000020457735 558370647 /nfs/dbraw/zinc/37/06/47/558370647.db2.gz SMZFENQLCWMEFB-NRFANRHFSA-N 0 0 419.590 6.619 40 0 HKABRN O=C1NC(=S)SC1=Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000020457932 560884221 /nfs/dbraw/zinc/88/42/21/560884221.db2.gz AWKILONKVSYMSS-OVCLIPMQSA-N 0 0 424.316 5.496 40 0 HKABRN CCOC(=O)c1ccccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000020458117 558370997 /nfs/dbraw/zinc/37/09/97/558370997.db2.gz VCTRPWKCBGRNHN-UHFFFAOYSA-N 0 0 421.518 5.287 40 0 HKABRN Cc1ccccc1[C@@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000020458142 558371159 /nfs/dbraw/zinc/37/11/59/558371159.db2.gz IYNFRSATNAJXRD-NRFANRHFSA-N 0 0 420.361 5.511 40 0 HKABRN Cc1ccccc1[C@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000020458143 558371229 /nfs/dbraw/zinc/37/12/29/558371229.db2.gz IYNFRSATNAJXRD-OAQYLSRUSA-N 0 0 420.361 5.511 40 0 HKABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000020458257 525940702 /nfs/dbraw/zinc/94/07/02/525940702.db2.gz JYVKVFQCLFJWHX-GFCCVEGCSA-N 0 0 418.773 5.464 40 0 HKABRN C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000020458258 525945312 /nfs/dbraw/zinc/94/53/12/525945312.db2.gz JYVKVFQCLFJWHX-LBPRGKRZSA-N 0 0 418.773 5.464 40 0 HKABRN Cc1nccn1-c1ccc(CNC(=O)c2ccc(CSc3ccccc3)cc2)cc1 ZINC000020458343 558371182 /nfs/dbraw/zinc/37/11/82/558371182.db2.gz FPZVJAOSARKEAZ-UHFFFAOYSA-N 0 0 413.546 5.403 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020458584 523047598 /nfs/dbraw/zinc/04/75/98/523047598.db2.gz OSNCOSITLSTMKM-JOCHJYFZSA-N 0 0 407.897 5.676 40 0 HKABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020458586 558371532 /nfs/dbraw/zinc/37/15/32/558371532.db2.gz OSNCOSITLSTMKM-QFIPXVFZSA-N 0 0 407.897 5.676 40 0 HKABRN COc1ccc(SCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000020458732 525100706 /nfs/dbraw/zinc/10/07/06/525100706.db2.gz BTLJPYZTVWKVDG-UHFFFAOYSA-N 0 0 407.579 5.894 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 ZINC000020458901 558371657 /nfs/dbraw/zinc/37/16/57/558371657.db2.gz CYSGTIPZPKSDBW-UHFFFAOYSA-N 0 0 412.338 5.350 40 0 HKABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000020458925 558371628 /nfs/dbraw/zinc/37/16/28/558371628.db2.gz ZPBLLNJIHKAKRM-HSZRJFAPSA-N 0 0 405.563 6.392 40 0 HKABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000020458927 558371688 /nfs/dbraw/zinc/37/16/88/558371688.db2.gz ZPBLLNJIHKAKRM-QHCPKHFHSA-N 0 0 405.563 6.392 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020459112 523046333 /nfs/dbraw/zinc/04/63/33/523046333.db2.gz SSNOWIMLXCJHCE-XMMPIXPASA-N 0 0 422.956 5.308 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020459113 558371639 /nfs/dbraw/zinc/37/16/39/558371639.db2.gz SSNOWIMLXCJHCE-DEOSSOPVSA-N 0 0 422.956 5.308 40 0 HKABRN O=C(NCCSCc1ccccc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000020459137 558371652 /nfs/dbraw/zinc/37/16/52/558371652.db2.gz XPNKBRJVAYPJKD-UHFFFAOYSA-N 0 0 423.603 5.521 40 0 HKABRN CC(C)OC(=O)c1cc(N)c2c(n1)sc(-c1cccs1)c2-c1ccc(F)cc1 ZINC000020459390 519751804 /nfs/dbraw/zinc/75/18/04/519751804.db2.gz MRSOCIZFRDJJLC-UHFFFAOYSA-N 0 0 412.511 5.978 40 0 HKABRN COc1ccc(CN(C)C(=O)c2ccccc2SCc2ccccc2)cc1OC ZINC000020459435 558371734 /nfs/dbraw/zinc/37/17/34/558371734.db2.gz LRXPJTSRQVIHAR-UHFFFAOYSA-N 0 0 407.535 5.268 40 0 HKABRN CN(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000020459499 558371923 /nfs/dbraw/zinc/37/19/23/558371923.db2.gz CFXAEXOKLJKJOP-UHFFFAOYSA-N 0 0 424.766 5.437 40 0 HKABRN COc1cc2ccccc2cc1C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000020459616 558371937 /nfs/dbraw/zinc/37/19/37/558371937.db2.gz NPCZYFVWXQWLOL-UHFFFAOYSA-N 0 0 420.361 5.818 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000020459645 558371979 /nfs/dbraw/zinc/37/19/79/558371979.db2.gz VHKSKCQZIGFYPR-OAQYLSRUSA-N 0 0 409.913 6.545 40 0 HKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000020459646 522883394 /nfs/dbraw/zinc/88/33/94/522883394.db2.gz VHKSKCQZIGFYPR-NRFANRHFSA-N 0 0 409.913 6.545 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000020459707 558372121 /nfs/dbraw/zinc/37/21/21/558372121.db2.gz ULHCQWJFFJZRGV-GOSISDBHSA-N 0 0 423.534 5.363 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000020459708 558372205 /nfs/dbraw/zinc/37/22/05/558372205.db2.gz ULHCQWJFFJZRGV-SFHVURJKSA-N 0 0 423.534 5.363 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020459713 558372212 /nfs/dbraw/zinc/37/22/12/558372212.db2.gz PDSLEDVHTOVUGI-UHFFFAOYSA-N 0 0 406.913 5.554 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1Cl ZINC000020459886 558372184 /nfs/dbraw/zinc/37/21/84/558372184.db2.gz FNHCJCAXBAUQGC-RCCKNPSSSA-N 0 0 405.881 5.696 40 0 HKABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000020459892 558372117 /nfs/dbraw/zinc/37/21/17/558372117.db2.gz VASPDRPDVDJGLL-BALBBAFXSA-N 0 0 405.538 5.569 40 0 HKABRN COc1cccc(O[C@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000020459893 558372111 /nfs/dbraw/zinc/37/21/11/558372111.db2.gz VASPDRPDVDJGLL-ZFGQVMFLSA-N 0 0 405.538 5.569 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1Cl ZINC000020459925 558372208 /nfs/dbraw/zinc/37/22/08/558372208.db2.gz ZQUPCYUWPDQYHK-CQSZACIVSA-N 0 0 403.906 5.220 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1Cl ZINC000020459926 558372102 /nfs/dbraw/zinc/37/21/02/558372102.db2.gz ZQUPCYUWPDQYHK-AWEZNQCLSA-N 0 0 403.906 5.220 40 0 HKABRN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 ZINC000020460098 524203811 /nfs/dbraw/zinc/20/38/11/524203811.db2.gz FGQSDANOERAMSR-HXUWFJFHSA-N 0 0 405.563 5.966 40 0 HKABRN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 ZINC000020460099 558372412 /nfs/dbraw/zinc/37/24/12/558372412.db2.gz FGQSDANOERAMSR-FQEVSTJZSA-N 0 0 405.563 5.966 40 0 HKABRN COc1cccc(CCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 ZINC000020460445 558372557 /nfs/dbraw/zinc/37/25/57/558372557.db2.gz VLJIQAUWPHGAIO-UHFFFAOYSA-N 0 0 414.549 5.011 40 0 HKABRN Cc1ccc([C@@H](NC(=O)CSCc2c(F)cccc2Cl)c2ccccc2)cc1 ZINC000020460512 558372650 /nfs/dbraw/zinc/37/26/50/558372650.db2.gz CCZADYUSOQLKBA-QHCPKHFHSA-N 0 0 413.945 5.927 40 0 HKABRN Cc1ccc([C@H](NC(=O)CSCc2c(F)cccc2Cl)c2ccccc2)cc1 ZINC000020460513 558372575 /nfs/dbraw/zinc/37/25/75/558372575.db2.gz CCZADYUSOQLKBA-HSZRJFAPSA-N 0 0 413.945 5.927 40 0 HKABRN Cc1ccc(OCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C ZINC000020460556 558372630 /nfs/dbraw/zinc/37/26/30/558372630.db2.gz SOEHCVIRHLYJOB-UHFFFAOYSA-N 0 0 415.533 5.849 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OC ZINC000020460606 525107375 /nfs/dbraw/zinc/10/73/75/525107375.db2.gz HJANCUOCCCORRO-JTQLQIEISA-N 0 0 419.852 5.495 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OC ZINC000020460607 558372609 /nfs/dbraw/zinc/37/26/09/558372609.db2.gz HJANCUOCCCORRO-SNVBAGLBSA-N 0 0 419.852 5.495 40 0 HKABRN Cc1ccc([C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c2ccccc2)cc1 ZINC000020460667 525776395 /nfs/dbraw/zinc/77/63/95/525776395.db2.gz BZSWKOYSHGDGER-NRFANRHFSA-N 0 0 420.361 5.511 40 0 HKABRN Cc1ccc([C@H](NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c2ccccc2)cc1 ZINC000020460668 558372902 /nfs/dbraw/zinc/37/29/02/558372902.db2.gz BZSWKOYSHGDGER-OAQYLSRUSA-N 0 0 420.361 5.511 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000020460678 558372835 /nfs/dbraw/zinc/37/28/35/558372835.db2.gz UGSFMLWUGMCKSL-QGZVFWFLSA-N 0 0 411.954 6.347 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000020460679 558372924 /nfs/dbraw/zinc/37/29/24/558372924.db2.gz UGSFMLWUGMCKSL-KRWDZBQOSA-N 0 0 411.954 6.347 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccccc2Cl)sc2c1CCCC2 ZINC000020460840 558372853 /nfs/dbraw/zinc/37/28/53/558372853.db2.gz ZSDSUISSQMKGAD-OAHLLOKOSA-N 0 0 421.946 5.253 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccccc2Cl)sc2c1CCCC2 ZINC000020460841 521411194 /nfs/dbraw/zinc/41/11/94/521411194.db2.gz ZSDSUISSQMKGAD-HNNXBMFYSA-N 0 0 421.946 5.253 40 0 HKABRN Cc1cc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)ccc1Br ZINC000020460931 525155498 /nfs/dbraw/zinc/15/54/98/525155498.db2.gz VMNSISOPEBQYPV-UHFFFAOYSA-N 0 0 419.171 5.936 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000020460976 525107047 /nfs/dbraw/zinc/10/70/47/525107047.db2.gz HVULDMGZDWFBHX-INIZCTEOSA-N 0 0 409.507 5.615 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000020460977 558373081 /nfs/dbraw/zinc/37/30/81/558373081.db2.gz HVULDMGZDWFBHX-MRXNPFEDSA-N 0 0 409.507 5.615 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000020460985 558373018 /nfs/dbraw/zinc/37/30/18/558373018.db2.gz DLMNZMSXHNPWIA-BALBBAFXSA-N 0 0 421.606 6.282 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000020460986 525111726 /nfs/dbraw/zinc/11/17/26/525111726.db2.gz DLMNZMSXHNPWIA-ZFGQVMFLSA-N 0 0 421.606 6.282 40 0 HKABRN Cc1ccc([C@@H](NC(=O)c2ccccc2OCc2ccccc2)c2ccccc2)cc1 ZINC000020461013 558372986 /nfs/dbraw/zinc/37/29/86/558372986.db2.gz ZEJWTIZHOLCEGQ-MHZLTWQESA-N 0 0 407.513 6.093 40 0 HKABRN Cc1ccc([C@H](NC(=O)c2ccccc2OCc2ccccc2)c2ccccc2)cc1 ZINC000020461014 558373074 /nfs/dbraw/zinc/37/30/74/558373074.db2.gz ZEJWTIZHOLCEGQ-HHHXNRCGSA-N 0 0 407.513 6.093 40 0 HKABRN CCOc1ccc(CCC(=O)NCCSCc2cccc(Cl)c2)cc1OCC ZINC000020461142 558373015 /nfs/dbraw/zinc/37/30/15/558373015.db2.gz SGCQWDKAUJNHFZ-UHFFFAOYSA-N 0 0 421.990 5.120 40 0 HKABRN Cc1nccn1-c1ccccc1CNC(=O)c1ccccc1SCc1ccccc1 ZINC000020461160 558373102 /nfs/dbraw/zinc/37/31/02/558373102.db2.gz GAGMUYUKUGANMB-UHFFFAOYSA-N 0 0 413.546 5.403 40 0 HKABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C ZINC000020461416 558372981 /nfs/dbraw/zinc/37/29/81/558372981.db2.gz QSPXEOPYGHDMHL-WXLHYIFQSA-N 0 0 403.566 6.177 40 0 HKABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C ZINC000020461418 524774018 /nfs/dbraw/zinc/77/40/18/524774018.db2.gz QSPXEOPYGHDMHL-MQAYZUIZSA-N 0 0 403.566 6.177 40 0 HKABRN COc1ccccc1CN(C)C(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000020461977 524435826 /nfs/dbraw/zinc/43/58/26/524435826.db2.gz KLVLVGVCWUIJHC-UHFFFAOYSA-N 0 0 407.535 5.139 40 0 HKABRN Cc1ccccc1[C@@H](NC(=O)CN1c2cccc3cccc(c23)C1=O)c1ccccc1 ZINC000020462192 525369183 /nfs/dbraw/zinc/36/91/83/525369183.db2.gz WBCABYVCFSCTRL-SANMLTNESA-N 0 0 406.485 5.014 40 0 HKABRN Cc1ccccc1[C@H](NC(=O)CN1c2cccc3cccc(c23)C1=O)c1ccccc1 ZINC000020462195 558373537 /nfs/dbraw/zinc/37/35/37/558373537.db2.gz WBCABYVCFSCTRL-AREMUKBSSA-N 0 0 406.485 5.014 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000020462232 558373496 /nfs/dbraw/zinc/37/34/96/558373496.db2.gz DYVGLIDDHURBJL-HSZRJFAPSA-N 0 0 404.510 5.022 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000020462235 558373526 /nfs/dbraw/zinc/37/35/26/558373526.db2.gz DYVGLIDDHURBJL-QHCPKHFHSA-N 0 0 404.510 5.022 40 0 HKABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020462450 558373530 /nfs/dbraw/zinc/37/35/30/558373530.db2.gz INLIWOQYZKOZPR-GUMMOOENSA-N 0 0 419.565 5.959 40 0 HKABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020462452 522886540 /nfs/dbraw/zinc/88/65/40/522886540.db2.gz INLIWOQYZKOZPR-DFFJHKNISA-N 0 0 419.565 5.959 40 0 HKABRN CCOc1ccc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCC ZINC000020462525 520945472 /nfs/dbraw/zinc/94/54/72/520945472.db2.gz VWBPJOOGZPEYJQ-UHFFFAOYSA-N 0 0 405.494 5.848 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000020462588 525176895 /nfs/dbraw/zinc/17/68/95/525176895.db2.gz DTMHZBMFDCZWLL-RUZDIDTESA-N 0 0 403.522 5.791 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000020462590 558373845 /nfs/dbraw/zinc/37/38/45/558373845.db2.gz DTMHZBMFDCZWLL-VWLOTQADSA-N 0 0 403.522 5.791 40 0 HKABRN O=C(CN1CCN(C/C=C\c2ccccc2)CC1)Nc1ccc(C2CCCCC2)cc1 ZINC000020469952 568610843 /nfs/dbraw/zinc/61/08/43/568610843.db2.gz VOTFHDAYWXJOMB-YFHOEESVSA-N 0 0 417.597 5.004 40 0 HKABRN c1csc(-c2nc3cc(Cc4ccc5oc(-c6cccs6)nc5c4)ccc3o2)c1 ZINC000020479908 526576131 /nfs/dbraw/zinc/57/61/31/526576131.db2.gz YDEYOFFQQPCZOX-UHFFFAOYSA-N 0 0 414.511 7.017 40 0 HKABRN COc1ccc(CNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1OC ZINC000020481132 558374958 /nfs/dbraw/zinc/37/49/58/558374958.db2.gz WPXUIEIPBLIGBE-UHFFFAOYSA-N 0 0 407.535 5.235 40 0 HKABRN CCOc1ccccc1CNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000020481281 558375294 /nfs/dbraw/zinc/37/52/94/558375294.db2.gz COGGCTMAXBSKMS-UHFFFAOYSA-N 0 0 411.954 5.961 40 0 HKABRN CCOc1ccc(CCC(=O)Nc2ccc(Br)c(C)c2)cc1OCC ZINC000020481336 558375240 /nfs/dbraw/zinc/37/52/40/558375240.db2.gz VBSVTECRZBWTFK-UHFFFAOYSA-N 0 0 406.320 5.126 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020481439 558375268 /nfs/dbraw/zinc/37/52/68/558375268.db2.gz KTZNHRHKBRKECZ-AREMUKBSSA-N 0 0 422.528 6.764 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020481442 522888538 /nfs/dbraw/zinc/88/85/38/522888538.db2.gz KTZNHRHKBRKECZ-SANMLTNESA-N 0 0 422.528 6.764 40 0 HKABRN O=C(Nc1c(Cl)cccc1Cl)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020482101 558375256 /nfs/dbraw/zinc/37/52/56/558375256.db2.gz KBKPWLIPXCJCEL-UHFFFAOYSA-N 0 0 411.332 6.199 40 0 HKABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000020482241 558375490 /nfs/dbraw/zinc/37/54/90/558375490.db2.gz AMYZAUFUPWKIQM-GOSISDBHSA-N 0 0 421.924 5.902 40 0 HKABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000020482244 558375453 /nfs/dbraw/zinc/37/54/53/558375453.db2.gz AMYZAUFUPWKIQM-SFHVURJKSA-N 0 0 421.924 5.902 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)cc1 ZINC000020482714 558375404 /nfs/dbraw/zinc/37/54/04/558375404.db2.gz HSRGDVOULPSGEX-ZDUSSCGKSA-N 0 0 413.967 5.018 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)cc1 ZINC000020482717 525111109 /nfs/dbraw/zinc/11/11/09/525111109.db2.gz HSRGDVOULPSGEX-CYBMUJFWSA-N 0 0 413.967 5.018 40 0 HKABRN Cc1ccc(SCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000020483129 558375748 /nfs/dbraw/zinc/37/57/48/558375748.db2.gz DQVKQGJFUMAHRS-UHFFFAOYSA-N 0 0 416.590 5.470 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000020483134 558375727 /nfs/dbraw/zinc/37/57/27/558375727.db2.gz TVMKAJZVCBTLLW-AREMUKBSSA-N 0 0 409.529 6.226 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000020483137 558375713 /nfs/dbraw/zinc/37/57/13/558375713.db2.gz TVMKAJZVCBTLLW-SANMLTNESA-N 0 0 409.529 6.226 40 0 HKABRN CCc1ccc(OCC(=O)N[C@@H](CC(C)C)c2ccccc2)c(Br)c1 ZINC000020483312 524004734 /nfs/dbraw/zinc/00/47/34/524004734.db2.gz GVWRSJPVRNMQGL-IBGZPJMESA-N 0 0 404.348 5.294 40 0 HKABRN CCc1ccc(OCC(=O)N[C@H](CC(C)C)c2ccccc2)c(Br)c1 ZINC000020483314 524004497 /nfs/dbraw/zinc/00/44/97/524004497.db2.gz GVWRSJPVRNMQGL-LJQANCHMSA-N 0 0 404.348 5.294 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CSCc3ccccc3)c2)cc1 ZINC000020483437 519022837 /nfs/dbraw/zinc/02/28/37/519022837.db2.gz NNCCHCKQVSBNMH-UHFFFAOYSA-N 0 0 417.574 6.087 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000020483582 558375719 /nfs/dbraw/zinc/37/57/19/558375719.db2.gz YBMMDRUQGQJONR-HSZRJFAPSA-N 0 0 413.542 6.787 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000020483584 522889699 /nfs/dbraw/zinc/88/96/99/522889699.db2.gz YBMMDRUQGQJONR-QHCPKHFHSA-N 0 0 413.542 6.787 40 0 HKABRN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(OCCSc2ccccc2)cc1 ZINC000020483615 558375751 /nfs/dbraw/zinc/37/57/51/558375751.db2.gz XYLGDESXZXVGLN-UHFFFAOYSA-N 0 0 418.345 6.417 40 0 HKABRN Cc1ccc(CSCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000020483995 558376070 /nfs/dbraw/zinc/37/60/70/558376070.db2.gz GTUZGNVBFFQLKO-UHFFFAOYSA-N 0 0 414.423 5.585 40 0 HKABRN CCOc1ccc(CCCNC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1OC ZINC000020484281 558375984 /nfs/dbraw/zinc/37/59/84/558375984.db2.gz TVKJHRPXGKOUIF-OAQYLSRUSA-N 0 0 421.990 5.367 40 0 HKABRN CCOc1ccc(CCCNC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1OC ZINC000020484284 558375999 /nfs/dbraw/zinc/37/59/99/558375999.db2.gz TVKJHRPXGKOUIF-NRFANRHFSA-N 0 0 421.990 5.367 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000020484603 558376258 /nfs/dbraw/zinc/37/62/58/558376258.db2.gz DBHTXRXMKULYNX-AREMUKBSSA-N 0 0 401.550 5.998 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000020484606 558376254 /nfs/dbraw/zinc/37/62/54/558376254.db2.gz DBHTXRXMKULYNX-SANMLTNESA-N 0 0 401.550 5.998 40 0 HKABRN CCOc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1OCC ZINC000020484693 558376212 /nfs/dbraw/zinc/37/62/12/558376212.db2.gz BHPHEBVRIZFTGJ-MHZLTWQESA-N 0 0 417.549 5.631 40 0 HKABRN CCOc1ccc(CCC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1OCC ZINC000020484696 520943316 /nfs/dbraw/zinc/94/33/16/520943316.db2.gz BHPHEBVRIZFTGJ-HHHXNRCGSA-N 0 0 417.549 5.631 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000020484846 523080357 /nfs/dbraw/zinc/08/03/57/523080357.db2.gz YCLHKCWNAYNURX-PKTZIBPZSA-N 0 0 409.982 6.425 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000020484849 558376188 /nfs/dbraw/zinc/37/61/88/558376188.db2.gz YCLHKCWNAYNURX-GOTSBHOMSA-N 0 0 409.982 6.425 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000020484852 558376165 /nfs/dbraw/zinc/37/61/65/558376165.db2.gz YCLHKCWNAYNURX-DHIUTWEWSA-N 0 0 409.982 6.425 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000020484855 558376273 /nfs/dbraw/zinc/37/62/73/558376273.db2.gz YCLHKCWNAYNURX-XZOQPEGZSA-N 0 0 409.982 6.425 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1Cl ZINC000020484860 558376275 /nfs/dbraw/zinc/37/62/75/558376275.db2.gz LJAGGQXWFNIMGD-UHFFFAOYSA-N 0 0 409.869 5.348 40 0 HKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000020484975 558376192 /nfs/dbraw/zinc/37/61/92/558376192.db2.gz JAMPTXFPJBBODP-XMMPIXPASA-N 0 0 416.521 5.030 40 0 HKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000020484977 522872050 /nfs/dbraw/zinc/87/20/50/522872050.db2.gz JAMPTXFPJBBODP-DEOSSOPVSA-N 0 0 416.521 5.030 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H](c1ccccc1)c1ccccc1C ZINC000020485059 523055281 /nfs/dbraw/zinc/05/52/81/523055281.db2.gz JVAPYGNZANPTFB-VPUSJEBWSA-N 0 0 409.529 6.211 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@@H](c1ccccc1)c1ccccc1C ZINC000020485062 558376234 /nfs/dbraw/zinc/37/62/34/558376234.db2.gz JVAPYGNZANPTFB-BDYUSTAISA-N 0 0 409.529 6.211 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@H](c1ccccc1)c1ccccc1C ZINC000020485065 523054727 /nfs/dbraw/zinc/05/47/27/523054727.db2.gz JVAPYGNZANPTFB-XNMGPUDCSA-N 0 0 409.529 6.211 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@H](c1ccccc1)c1ccccc1C ZINC000020485068 558376203 /nfs/dbraw/zinc/37/62/03/558376203.db2.gz JVAPYGNZANPTFB-AHKZPQOWSA-N 0 0 409.529 6.211 40 0 HKABRN Cc1cccc(CSCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 ZINC000020485225 524460575 /nfs/dbraw/zinc/46/05/75/524460575.db2.gz SMJLDZPVFIOUNK-UHFFFAOYSA-N 0 0 414.423 5.585 40 0 HKABRN O=C(Nc1ccccc1C(F)(F)F)c1ccc(OCCSc2ccccc2)cc1 ZINC000020485483 558376425 /nfs/dbraw/zinc/37/64/25/558376425.db2.gz DVYSQTRAKZPPEU-UHFFFAOYSA-N 0 0 417.452 6.129 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020485531 558376486 /nfs/dbraw/zinc/37/64/86/558376486.db2.gz CXCXJTSMXREURN-LJQANCHMSA-N 0 0 407.819 6.308 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020485533 558376365 /nfs/dbraw/zinc/37/63/65/558376365.db2.gz CXCXJTSMXREURN-IBGZPJMESA-N 0 0 407.819 6.308 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCSCc1cccc(Cl)c1 ZINC000020486003 558376415 /nfs/dbraw/zinc/37/64/15/558376415.db2.gz VNDUPBVEZCNEPI-OAQYLSRUSA-N 0 0 413.970 5.700 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCCSCc1cccc(Cl)c1 ZINC000020486006 522886432 /nfs/dbraw/zinc/88/64/32/522886432.db2.gz VNDUPBVEZCNEPI-NRFANRHFSA-N 0 0 413.970 5.700 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1)c1ccc(OC)cc1 ZINC000020486148 558376428 /nfs/dbraw/zinc/37/64/28/558376428.db2.gz GWAZNIOCRJOGOQ-GBOLQPHISA-N 0 0 401.506 5.512 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1)c1ccc(OC)cc1 ZINC000020486150 558376387 /nfs/dbraw/zinc/37/63/87/558376387.db2.gz GWAZNIOCRJOGOQ-GRBCXPRBSA-N 0 0 401.506 5.512 40 0 HKABRN CCSc1ccccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000020486211 558376729 /nfs/dbraw/zinc/37/67/29/558376729.db2.gz LIIOABHGBVMDAW-UHFFFAOYSA-N 0 0 409.576 6.222 40 0 HKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020486334 558376672 /nfs/dbraw/zinc/37/66/72/558376672.db2.gz JKFMNZDOUPISGX-HSZRJFAPSA-N 0 0 421.924 5.984 40 0 HKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020486337 558376751 /nfs/dbraw/zinc/37/67/51/558376751.db2.gz JKFMNZDOUPISGX-QHCPKHFHSA-N 0 0 421.924 5.984 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 ZINC000020486373 522059962 /nfs/dbraw/zinc/05/99/62/522059962.db2.gz OOMHWSPDFASVST-UHFFFAOYSA-N 0 0 418.729 5.305 40 0 HKABRN Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1C ZINC000020486475 558376637 /nfs/dbraw/zinc/37/66/37/558376637.db2.gz DEBPGITXHLTELV-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2cccc3ccccc32)cc1OC ZINC000020487355 558376691 /nfs/dbraw/zinc/37/66/91/558376691.db2.gz QKONDOQPLCLXPD-JOCHJYFZSA-N 0 0 421.537 5.154 40 0 HKABRN CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2cccc3ccccc32)cc1OC ZINC000020487358 558376987 /nfs/dbraw/zinc/37/69/87/558376987.db2.gz QKONDOQPLCLXPD-QFIPXVFZSA-N 0 0 421.537 5.154 40 0 HKABRN Cc1ccc(CCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020487886 524301825 /nfs/dbraw/zinc/30/18/25/524301825.db2.gz LNAREAMAGBXHSA-UHFFFAOYSA-N 0 0 414.549 6.116 40 0 HKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000020488225 558376868 /nfs/dbraw/zinc/37/68/68/558376868.db2.gz SSVXWRFQSPQVSB-HXUWFJFHSA-N 0 0 414.933 5.152 40 0 HKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000020488227 558376855 /nfs/dbraw/zinc/37/68/55/558376855.db2.gz SSVXWRFQSPQVSB-FQEVSTJZSA-N 0 0 414.933 5.152 40 0 HKABRN O=C(Nc1cccc(Br)c1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020488621 558377130 /nfs/dbraw/zinc/37/71/30/558377130.db2.gz VOIRZTOKFXFKCB-UHFFFAOYSA-N 0 0 407.311 5.264 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3ccc(OC)cc3)ccc21 ZINC000020489042 558377176 /nfs/dbraw/zinc/37/71/76/558377176.db2.gz IMDIFHGBJWORQU-MRXNPFEDSA-N 0 0 404.535 5.942 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3ccc(OC)cc3)ccc21 ZINC000020489044 558377210 /nfs/dbraw/zinc/37/72/10/558377210.db2.gz IMDIFHGBJWORQU-INIZCTEOSA-N 0 0 404.535 5.942 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000020489081 558377103 /nfs/dbraw/zinc/37/71/03/558377103.db2.gz PRHQDKGWVBHQCK-HSZRJFAPSA-N 0 0 409.982 6.440 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000020489083 558377143 /nfs/dbraw/zinc/37/71/43/558377143.db2.gz PRHQDKGWVBHQCK-QHCPKHFHSA-N 0 0 409.982 6.440 40 0 HKABRN CC(C)c1ccc(CCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000020489174 558377503 /nfs/dbraw/zinc/37/75/03/558377503.db2.gz FOHVLQWBUDWBNT-UHFFFAOYSA-N 0 0 412.577 5.735 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)cc1 ZINC000020489441 558377398 /nfs/dbraw/zinc/37/73/98/558377398.db2.gz BLCPWAYQCRWHOA-UHFFFAOYSA-N 0 0 405.925 6.050 40 0 HKABRN Cc1cc(C)cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000020489831 558377492 /nfs/dbraw/zinc/37/74/92/558377492.db2.gz YRHSDKWVDNZWFK-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000020489851 558377506 /nfs/dbraw/zinc/37/75/06/558377506.db2.gz DONCUDFNPDYVHO-HSZRJFAPSA-N 0 0 416.521 5.030 40 0 HKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000020489853 522870134 /nfs/dbraw/zinc/87/01/34/522870134.db2.gz DONCUDFNPDYVHO-QHCPKHFHSA-N 0 0 416.521 5.030 40 0 HKABRN O=C(NCCSc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020489964 558377745 /nfs/dbraw/zinc/37/77/45/558377745.db2.gz NZKKLOQLLIYKOM-UHFFFAOYSA-N 0 0 422.981 5.425 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000020489986 558377707 /nfs/dbraw/zinc/37/77/07/558377707.db2.gz FZCDYUSSAYQAQI-LJQANCHMSA-N 0 0 400.522 5.139 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000020489988 558377607 /nfs/dbraw/zinc/37/76/07/558377607.db2.gz FZCDYUSSAYQAQI-IBGZPJMESA-N 0 0 400.522 5.139 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000020490082 558377665 /nfs/dbraw/zinc/37/76/65/558377665.db2.gz DWGZUDLATNXUTA-KRWDZBQOSA-N 0 0 409.576 6.107 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000020490084 525111214 /nfs/dbraw/zinc/11/12/14/525111214.db2.gz DWGZUDLATNXUTA-QGZVFWFLSA-N 0 0 409.576 6.107 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000020490206 558377669 /nfs/dbraw/zinc/37/76/69/558377669.db2.gz URIIQTNXPFSUTB-HSZRJFAPSA-N 0 0 416.521 5.262 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000020490208 558377679 /nfs/dbraw/zinc/37/76/79/558377679.db2.gz URIIQTNXPFSUTB-QHCPKHFHSA-N 0 0 416.521 5.262 40 0 HKABRN Cc1nccn1-c1ccc(CNC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000020490665 558377720 /nfs/dbraw/zinc/37/77/20/558377720.db2.gz OSMVUYASHCLRSY-UHFFFAOYSA-N 0 0 412.518 5.693 40 0 HKABRN COc1ccc(CCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1OC ZINC000020490776 558377986 /nfs/dbraw/zinc/37/79/86/558377986.db2.gz KKPSFTYRRKCRAO-UHFFFAOYSA-N 0 0 407.535 5.567 40 0 HKABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000020490784 558377952 /nfs/dbraw/zinc/37/79/52/558377952.db2.gz DVTUMDUSAJCKPE-YULRPQQCSA-N 0 0 417.593 6.486 40 0 HKABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000020490785 558377983 /nfs/dbraw/zinc/37/79/83/558377983.db2.gz DVTUMDUSAJCKPE-IFDVCUOJSA-N 0 0 417.593 6.486 40 0 HKABRN CCOc1ccc(CCC(=O)NCCSCc2ccc(Cl)cc2)cc1OCC ZINC000020491624 558378161 /nfs/dbraw/zinc/37/81/61/558378161.db2.gz QPLZNRKAZNJSHH-UHFFFAOYSA-N 0 0 421.990 5.120 40 0 HKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000020491816 523040540 /nfs/dbraw/zinc/04/05/40/523040540.db2.gz YNDPPGZXRVSYTQ-HSZRJFAPSA-N 0 0 408.542 5.116 40 0 HKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000020491819 558378240 /nfs/dbraw/zinc/37/82/40/558378240.db2.gz YNDPPGZXRVSYTQ-QHCPKHFHSA-N 0 0 408.542 5.116 40 0 HKABRN O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000020491901 558378235 /nfs/dbraw/zinc/37/82/35/558378235.db2.gz XNBFLWHZPVLQDU-UHFFFAOYSA-N 0 0 416.546 5.354 40 0 HKABRN Cc1ccc(SCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000020492042 558378248 /nfs/dbraw/zinc/37/82/48/558378248.db2.gz ABTKICPVKGSQPM-UHFFFAOYSA-N 0 0 423.603 5.688 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000020492139 558378527 /nfs/dbraw/zinc/37/85/27/558378527.db2.gz ICMOWCNMBYCTJH-JTQLQIEISA-N 0 0 400.725 5.230 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000020492141 558378500 /nfs/dbraw/zinc/37/85/00/558378500.db2.gz ICMOWCNMBYCTJH-SNVBAGLBSA-N 0 0 400.725 5.230 40 0 HKABRN COc1ccc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC ZINC000020492267 525102569 /nfs/dbraw/zinc/10/25/69/525102569.db2.gz RSSHVKQZXXHJHC-UHFFFAOYSA-N 0 0 409.507 5.014 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCC(Cc2ccccc2)CC1 ZINC000020492352 558378525 /nfs/dbraw/zinc/37/85/25/558378525.db2.gz KTVAXDUKNOEMPU-UHFFFAOYSA-N 0 0 408.394 5.708 40 0 HKABRN CCc1ccc(OCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020492411 524005586 /nfs/dbraw/zinc/00/55/86/524005586.db2.gz RBWPLNBRMFGRJZ-UHFFFAOYSA-N 0 0 415.533 5.795 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)ccc21 ZINC000020492427 558378522 /nfs/dbraw/zinc/37/85/22/558378522.db2.gz PUWLKNUMBDZYRL-LJQANCHMSA-N 0 0 400.522 6.146 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3C)ccc21 ZINC000020492429 558378449 /nfs/dbraw/zinc/37/84/49/558378449.db2.gz PUWLKNUMBDZYRL-IBGZPJMESA-N 0 0 400.522 6.146 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020492473 558378508 /nfs/dbraw/zinc/37/85/08/558378508.db2.gz PFLLHHQUIVLYFF-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1C ZINC000020492501 558378517 /nfs/dbraw/zinc/37/85/17/558378517.db2.gz QZEIFUKRNISPKV-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc3ccccc32)cc1 ZINC000020492626 558378703 /nfs/dbraw/zinc/37/87/03/558378703.db2.gz HSUFCJUSVHZPBU-JOCHJYFZSA-N 0 0 405.494 5.593 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc3ccccc32)cc1 ZINC000020492627 558378689 /nfs/dbraw/zinc/37/86/89/558378689.db2.gz HSUFCJUSVHZPBU-QFIPXVFZSA-N 0 0 405.494 5.593 40 0 HKABRN Cc1cc(C)cc(OCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000020492651 558378715 /nfs/dbraw/zinc/37/87/15/558378715.db2.gz AFPWXDIALFSOJD-UHFFFAOYSA-N 0 0 415.533 5.849 40 0 HKABRN Cc1cc(OCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)ccc1Br ZINC000020492692 525364149 /nfs/dbraw/zinc/36/41/49/525364149.db2.gz AIRURRQWHUKZJZ-QHCPKHFHSA-N 0 0 424.338 5.351 40 0 HKABRN Cc1cc(OCC(=O)N[C@H](c2ccccc2)c2ccccc2C)ccc1Br ZINC000020492693 525363873 /nfs/dbraw/zinc/36/38/73/525363873.db2.gz AIRURRQWHUKZJZ-HSZRJFAPSA-N 0 0 424.338 5.351 40 0 HKABRN O=C(NCc1ccc(Cl)cc1Cl)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020492776 558378744 /nfs/dbraw/zinc/37/87/44/558378744.db2.gz KLJJTDQPDADOSM-UHFFFAOYSA-N 0 0 411.332 5.486 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 ZINC000020492822 521543303 /nfs/dbraw/zinc/54/33/03/521543303.db2.gz PNQIQIPHINHJOZ-UHFFFAOYSA-N 0 0 421.518 5.287 40 0 HKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000020492871 558378995 /nfs/dbraw/zinc/37/89/95/558378995.db2.gz RUNWTJQIOPYERE-SFHVURJKSA-N 0 0 408.542 5.279 40 0 HKABRN CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000020492872 519847718 /nfs/dbraw/zinc/84/77/18/519847718.db2.gz RUNWTJQIOPYERE-GOSISDBHSA-N 0 0 408.542 5.279 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000020493536 558379232 /nfs/dbraw/zinc/37/92/32/558379232.db2.gz ANUBJBUWRDHWNJ-LJQANCHMSA-N 0 0 412.382 5.509 40 0 HKABRN CC[C@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000020493537 558379189 /nfs/dbraw/zinc/37/91/89/558379189.db2.gz ANUBJBUWRDHWNJ-IBGZPJMESA-N 0 0 412.382 5.509 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000020493562 558379212 /nfs/dbraw/zinc/37/92/12/558379212.db2.gz BLSPZIJLVMWXSV-GOSISDBHSA-N 0 0 408.712 6.596 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000020493563 558379205 /nfs/dbraw/zinc/37/92/05/558379205.db2.gz BLSPZIJLVMWXSV-SFHVURJKSA-N 0 0 408.712 6.596 40 0 HKABRN CCOC(=O)c1cc(NC(=O)N2c3ccccc3Sc3ccccc32)ccc1Cl ZINC000020493582 558379235 /nfs/dbraw/zinc/37/92/35/558379235.db2.gz XLWDRLPXLFKZNK-UHFFFAOYSA-N 0 0 424.909 6.352 40 0 HKABRN CCOc1ccc(CCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OCC ZINC000020493643 520945304 /nfs/dbraw/zinc/94/53/04/520945304.db2.gz RTDKPDJWQWKPJI-UHFFFAOYSA-N 0 0 416.732 6.016 40 0 HKABRN CC[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(OC)cc1 ZINC000020493714 558379220 /nfs/dbraw/zinc/37/92/20/558379220.db2.gz ZKJGEGGKZUGPOQ-XMMPIXPASA-N 0 0 421.562 5.747 40 0 HKABRN CC[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(OC)cc1 ZINC000020493715 558379225 /nfs/dbraw/zinc/37/92/25/558379225.db2.gz ZKJGEGGKZUGPOQ-DEOSSOPVSA-N 0 0 421.562 5.747 40 0 HKABRN c1cc(Cc2ccc3[nH]c(C4CCCCC4)nc3c2)cc2nc(C3CCCCC3)[nH]c12 ZINC000020493998 558379449 /nfs/dbraw/zinc/37/94/49/558379449.db2.gz OZSGYVYRWSMLAJ-UHFFFAOYSA-N 0 0 412.581 7.125 40 0 HKABRN Cc1ccccc1[C@@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccccc1 ZINC000020494104 558379425 /nfs/dbraw/zinc/37/94/25/558379425.db2.gz QKBHRPVEPHFSSN-DVECYGJZSA-N 0 0 407.941 5.938 40 0 HKABRN Cc1ccccc1[C@@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccccc1 ZINC000020494106 525372441 /nfs/dbraw/zinc/37/24/41/525372441.db2.gz QKBHRPVEPHFSSN-CYFREDJKSA-N 0 0 407.941 5.938 40 0 HKABRN Cc1ccccc1[C@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccccc1 ZINC000020494108 558379378 /nfs/dbraw/zinc/37/93/78/558379378.db2.gz QKBHRPVEPHFSSN-NTKDMRAZSA-N 0 0 407.941 5.938 40 0 HKABRN Cc1ccccc1[C@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccccc1 ZINC000020494110 558379510 /nfs/dbraw/zinc/37/95/10/558379510.db2.gz QKBHRPVEPHFSSN-YADARESESA-N 0 0 407.941 5.938 40 0 HKABRN Cc1ccc([C@@H](NS(=O)(=O)Cc2c(Cl)cccc2Cl)c2ccccc2)cc1 ZINC000020494341 525775860 /nfs/dbraw/zinc/77/58/60/525775860.db2.gz UYOJKFYJIITAHW-NRFANRHFSA-N 0 0 420.361 5.511 40 0 HKABRN Cc1ccc([C@H](NS(=O)(=O)Cc2c(Cl)cccc2Cl)c2ccccc2)cc1 ZINC000020494344 558379704 /nfs/dbraw/zinc/37/97/04/558379704.db2.gz UYOJKFYJIITAHW-OAQYLSRUSA-N 0 0 420.361 5.511 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C)cc2Cl)cc1 ZINC000020494440 558379713 /nfs/dbraw/zinc/37/97/13/558379713.db2.gz FQHVZOZDUXROPN-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000020494452 558379702 /nfs/dbraw/zinc/37/97/02/558379702.db2.gz BLPFUICTEWQZGJ-UHFFFAOYSA-N 0 0 416.373 6.558 40 0 HKABRN O=C(Oc1ccccc1/C=C1\N=C(c2ccccc2F)OC1=O)c1ccc(Cl)cc1 ZINC000020494460 558379694 /nfs/dbraw/zinc/37/96/94/558379694.db2.gz XFYDDSLROGIMNT-UYRXBGFRSA-N 0 0 421.811 5.043 40 0 HKABRN O=C(Nc1ccccc1C(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000020494751 560885667 /nfs/dbraw/zinc/88/56/67/560885667.db2.gz NCHXPQLVDCTKQW-UHFFFAOYSA-N 0 0 419.695 6.151 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000020494984 558379973 /nfs/dbraw/zinc/37/99/73/558379973.db2.gz GYNQDKMOXHGPEN-UHFFFAOYSA-N 0 0 405.563 6.453 40 0 HKABRN O=C1NC(=S)SC1=Cc1cc(Br)ccc1OCc1ccccc1F ZINC000020495136 527515418 /nfs/dbraw/zinc/51/54/18/527515418.db2.gz MCBBBGOWCIGOJE-OVCLIPMQSA-N 0 0 424.316 5.496 40 0 HKABRN O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1cccc(OCc2ccccc2Cl)c1 ZINC000020495144 558380161 /nfs/dbraw/zinc/38/01/61/558380161.db2.gz HVDCNDGAGAIQGH-MTJSOVHGSA-N 0 0 424.283 5.917 40 0 HKABRN CC(C)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c(Br)c1 ZINC000020495311 558380151 /nfs/dbraw/zinc/38/01/51/558380151.db2.gz MCSHHNXJMKGQCK-LJQANCHMSA-N 0 0 402.332 5.145 40 0 HKABRN CC(C)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)c(Br)c1 ZINC000020495313 558380246 /nfs/dbraw/zinc/38/02/46/558380246.db2.gz MCSHHNXJMKGQCK-IBGZPJMESA-N 0 0 402.332 5.145 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000020495416 558380164 /nfs/dbraw/zinc/38/01/64/558380164.db2.gz AVSKTJUDTTXJJF-OAQYLSRUSA-N 0 0 405.991 5.747 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000020495418 558380181 /nfs/dbraw/zinc/38/01/81/558380181.db2.gz AVSKTJUDTTXJJF-NRFANRHFSA-N 0 0 405.991 5.747 40 0 HKABRN CC(C)Oc1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000020495533 558380371 /nfs/dbraw/zinc/38/03/71/558380371.db2.gz SCKAJXGKXARIPI-UHFFFAOYSA-N 0 0 400.522 5.679 40 0 HKABRN COc1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OC ZINC000020495590 558380397 /nfs/dbraw/zinc/38/03/97/558380397.db2.gz IHUFVSQBNYJFLS-UHFFFAOYSA-N 0 0 411.885 5.721 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc21 ZINC000020496778 560885309 /nfs/dbraw/zinc/88/53/09/560885309.db2.gz DUBYMGRUNMBJTC-XYOKQWHBSA-N 0 0 409.316 6.773 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)COc3cccc(C(F)(F)F)c3)ccc21 ZINC000020497226 523275134 /nfs/dbraw/zinc/27/51/34/523275134.db2.gz RWSDQXJGEAZMRD-UHFFFAOYSA-N 0 0 412.411 5.851 40 0 HKABRN Cc1cc(NC(=O)C(Cl)(Cl)Cl)cc(-c2nc3ccccc3s2)c1O ZINC000020497399 560885815 /nfs/dbraw/zinc/88/58/15/560885815.db2.gz QIQFPCDJTJKSNX-UHFFFAOYSA-N 0 0 401.702 5.286 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)COc3cc(C)ccc3C(C)C)ccc21 ZINC000020497730 558380427 /nfs/dbraw/zinc/38/04/27/558380427.db2.gz VGDRSDDOWMRORC-UHFFFAOYSA-N 0 0 400.522 6.264 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)ccc21 ZINC000020499109 558380471 /nfs/dbraw/zinc/38/04/71/558380471.db2.gz SZKFWOZZMHUSDN-LJQANCHMSA-N 0 0 414.549 6.652 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)ccc21 ZINC000020499110 558380453 /nfs/dbraw/zinc/38/04/53/558380453.db2.gz SZKFWOZZMHUSDN-IBGZPJMESA-N 0 0 414.549 6.652 40 0 HKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020499318 558380669 /nfs/dbraw/zinc/38/06/69/558380669.db2.gz FPDYOASGSWXRLL-HSZRJFAPSA-N 0 0 406.913 6.264 40 0 HKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020499319 558380723 /nfs/dbraw/zinc/38/07/23/558380723.db2.gz FPDYOASGSWXRLL-QHCPKHFHSA-N 0 0 406.913 6.264 40 0 HKABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020499720 558380674 /nfs/dbraw/zinc/38/06/74/558380674.db2.gz PYJAPCHBSPBPFS-RUZDIDTESA-N 0 0 400.522 6.227 40 0 HKABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020499722 522867466 /nfs/dbraw/zinc/86/74/66/522867466.db2.gz PYJAPCHBSPBPFS-VWLOTQADSA-N 0 0 400.522 6.227 40 0 HKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020499862 523060974 /nfs/dbraw/zinc/06/09/74/523060974.db2.gz ILFDJCHBIWHQFD-JOCHJYFZSA-N 0 0 406.913 6.264 40 0 HKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020499863 558380724 /nfs/dbraw/zinc/38/07/24/558380724.db2.gz ILFDJCHBIWHQFD-QFIPXVFZSA-N 0 0 406.913 6.264 40 0 HKABRN CCc1ccc(O[C@H](CC)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 ZINC000020499888 558380738 /nfs/dbraw/zinc/38/07/38/558380738.db2.gz QEHDSBTURZJPIB-RUZDIDTESA-N 0 0 400.522 6.173 40 0 HKABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 ZINC000020499889 558380804 /nfs/dbraw/zinc/38/08/04/558380804.db2.gz QEHDSBTURZJPIB-VWLOTQADSA-N 0 0 400.522 6.173 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020499993 558380697 /nfs/dbraw/zinc/38/06/97/558380697.db2.gz NEQIHZHDTZAYMZ-HHHXNRCGSA-N 0 0 422.528 6.764 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020499995 558380701 /nfs/dbraw/zinc/38/07/01/558380701.db2.gz NEQIHZHDTZAYMZ-MHZLTWQESA-N 0 0 422.528 6.764 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020500288 558380652 /nfs/dbraw/zinc/38/06/52/558380652.db2.gz WMLIWXFWHSSUKG-XMMPIXPASA-N 0 0 420.940 6.572 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020500289 558380787 /nfs/dbraw/zinc/38/07/87/558380787.db2.gz WMLIWXFWHSSUKG-DEOSSOPVSA-N 0 0 420.940 6.572 40 0 HKABRN O=C(CCc1ccccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020513517 558382559 /nfs/dbraw/zinc/38/25/59/558382559.db2.gz AXGTXVPZKYRCBN-UHFFFAOYSA-N 0 0 418.968 5.206 40 0 HKABRN O=C(CCCCCCCCCCC(=O)NCc1ccccc1)NCc1ccccc1 ZINC000020522632 526422772 /nfs/dbraw/zinc/42/27/72/526422772.db2.gz VKBSIBBWARHSLR-UHFFFAOYSA-N 0 0 408.586 5.520 40 0 HKABRN c1ccc(NCc2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccccc2)cc1 ZINC000020523377 526483876 /nfs/dbraw/zinc/48/38/76/526483876.db2.gz ZDUCUZRBRPWWNN-UHFFFAOYSA-N 0 0 412.522 5.048 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C(=O)OC(C)C)cc3)o2)cc1Cl ZINC000020528441 568443279 /nfs/dbraw/zinc/44/32/79/568443279.db2.gz YZCOASXOQICXEG-ACCUITESSA-N 0 0 423.896 6.126 40 0 HKABRN CC(C)OC(=O)c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000020528468 568443259 /nfs/dbraw/zinc/44/32/59/568443259.db2.gz DVSVLADSPHPYPI-UHFFFAOYSA-N 0 0 418.276 6.071 40 0 HKABRN CC(C)OC(=O)c1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 ZINC000020528547 568443432 /nfs/dbraw/zinc/44/34/32/568443432.db2.gz ZNNJWOQCHVORAX-UHFFFAOYSA-N 0 0 412.283 5.420 40 0 HKABRN CC(C)OC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000020528566 568443391 /nfs/dbraw/zinc/44/33/91/568443391.db2.gz LGHGGZCJLOWMND-UHFFFAOYSA-N 0 0 418.276 6.071 40 0 HKABRN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000020528844 568443402 /nfs/dbraw/zinc/44/34/02/568443402.db2.gz ZGVLVUSQQFDUOG-UHFFFAOYSA-N 0 0 421.869 5.019 40 0 HKABRN CC(C)OC(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000020528888 568443635 /nfs/dbraw/zinc/44/36/35/568443635.db2.gz FKDUUUPLMUCKHU-UHFFFAOYSA-N 0 0 408.306 6.026 40 0 HKABRN O=C(CSc1nc2ccccc2o1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000020534034 558385228 /nfs/dbraw/zinc/38/52/28/558385228.db2.gz FBJBABFUQYORBL-UHFFFAOYSA-N 0 0 410.882 6.004 40 0 HKABRN O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000020534085 569349663 /nfs/dbraw/zinc/34/96/63/569349663.db2.gz KGMHTBZZHKLCOI-UHFFFAOYSA-N 0 0 409.272 5.865 40 0 HKABRN Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)Nc1ccc(F)c(Cl)c1 ZINC000020540729 526292444 /nfs/dbraw/zinc/29/24/44/526292444.db2.gz WHTPGZCVCAVXGV-UHFFFAOYSA-N 0 0 407.276 5.638 40 0 HKABRN Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)Nc1cccc(Cl)c1Cl ZINC000020540731 526292202 /nfs/dbraw/zinc/29/22/02/526292202.db2.gz LPGHYJCMWAFSBZ-UHFFFAOYSA-N 0 0 423.731 6.152 40 0 HKABRN Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)Nc1ccccc1C(F)(F)F ZINC000020540759 526292406 /nfs/dbraw/zinc/29/24/06/526292406.db2.gz FWLXQGUCMOKWQD-UHFFFAOYSA-N 0 0 422.838 5.864 40 0 HKABRN Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)Nc1cccc2ccccc21 ZINC000020540767 526292148 /nfs/dbraw/zinc/29/21/48/526292148.db2.gz UWIBWBMHHRFKPN-UHFFFAOYSA-N 0 0 404.901 5.999 40 0 HKABRN Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)Nc1cc(C)ccc1C ZINC000020541153 526291969 /nfs/dbraw/zinc/29/19/69/526291969.db2.gz OSESOCORYSFHLV-UHFFFAOYSA-N 0 0 400.885 5.602 40 0 HKABRN CC(=O)c1cccc(NC(=O)Nc2c(C)nn(Cc3ccc(F)cc3Cl)c2C)c1 ZINC000020541178 518438595 /nfs/dbraw/zinc/43/85/95/518438595.db2.gz BYMLPGDTTVSFEP-UHFFFAOYSA-N 0 0 414.868 5.187 40 0 HKABRN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000020569445 525276949 /nfs/dbraw/zinc/27/69/49/525276949.db2.gz ONMPJPDLMWYGCQ-MASXVTNBSA-N 0 0 400.566 6.181 40 0 HKABRN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000020569447 524815350 /nfs/dbraw/zinc/81/53/50/524815350.db2.gz ONMPJPDLMWYGCQ-KYCPQSOHSA-N 0 0 400.566 6.181 40 0 HKABRN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000020569449 525450416 /nfs/dbraw/zinc/45/04/16/525450416.db2.gz ONMPJPDLMWYGCQ-FPLDTUOSSA-N 0 0 400.566 6.181 40 0 HKABRN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000020569451 524932552 /nfs/dbraw/zinc/93/25/52/524932552.db2.gz ONMPJPDLMWYGCQ-RRGIYCPSSA-N 0 0 400.566 6.181 40 0 HKABRN C[C@@H]1CC[C@@H](C)[C@@H](NC(=O)Nc2cccc(NC(=O)N[C@@H]3C[C@@H](C)CC[C@@H]3C)c2)C1 ZINC000020569684 524580679 /nfs/dbraw/zinc/58/06/79/524580679.db2.gz IGGGFPGDTBGUDH-YIVVYQTISA-N 0 0 414.594 5.579 40 0 HKABRN C[C@@H]1CC[C@H](C)C[C@@H]1NC(=O)Nc1cccc(NC(=O)N[C@@H]2C[C@@H](C)CC[C@@H]2C)c1 ZINC000020569687 524650140 /nfs/dbraw/zinc/65/01/40/524650140.db2.gz IGGGFPGDTBGUDH-QNXQDRBBSA-N 0 0 414.594 5.579 40 0 HKABRN C[C@@H]1CC[C@H](C)[C@@H](NC(=O)Nc2cccc(NC(=O)N[C@@H]3C[C@@H](C)CC[C@@H]3C)c2)C1 ZINC000020569689 524657986 /nfs/dbraw/zinc/65/79/86/524657986.db2.gz IGGGFPGDTBGUDH-DMDVSTPWSA-N 0 0 414.594 5.579 40 0 HKABRN C[C@H]1CC[C@H](C)[C@H](NC(=O)Nc2cccc(NC(=O)N[C@H]3C[C@@H](C)CC[C@@H]3C)c2)C1 ZINC000020569692 524399014 /nfs/dbraw/zinc/39/90/14/524399014.db2.gz IGGGFPGDTBGUDH-KIHPVRBWSA-N 0 0 414.594 5.579 40 0 HKABRN O=C(Nc1cccc(Cl)c1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020570858 527343907 /nfs/dbraw/zinc/34/39/07/527343907.db2.gz XTGUUKPWSKVNNH-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020570859 527181663 /nfs/dbraw/zinc/18/16/63/527181663.db2.gz BFHQRBZJZADZQA-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000020571194 568457202 /nfs/dbraw/zinc/45/72/02/568457202.db2.gz JOVVDVLWTPLGEZ-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000020571197 568457191 /nfs/dbraw/zinc/45/71/91/568457191.db2.gz MQQZTTPVHSMPMD-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN O=C(Nc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020571685 527343782 /nfs/dbraw/zinc/34/37/82/527343782.db2.gz RLTLBBSHGGPZSK-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020571686 527182167 /nfs/dbraw/zinc/18/21/67/527182167.db2.gz RJDFVZGJEQEBPQ-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc(C(C)C)cc4)c3)nn12 ZINC000020609619 558389551 /nfs/dbraw/zinc/38/95/51/558389551.db2.gz MYTRAJOEEAHGAE-UHFFFAOYSA-N 0 0 405.527 5.181 40 0 HKABRN CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nn12 ZINC000020609620 558389521 /nfs/dbraw/zinc/38/95/21/558389521.db2.gz IEZRVBKJETYRSB-UHFFFAOYSA-N 0 0 419.554 5.355 40 0 HKABRN CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc(C)c(Cl)c4)c3)nn12 ZINC000020609621 558389453 /nfs/dbraw/zinc/38/94/53/558389453.db2.gz GSVKECDQLIJNFG-UHFFFAOYSA-N 0 0 411.918 5.019 40 0 HKABRN CCCc1nnc2sc(-c3ccc(NC(=O)c4ccc(C(C)C)cc4)cc3)nn12 ZINC000020609719 558389772 /nfs/dbraw/zinc/38/97/72/558389772.db2.gz QFMDRRKXEOSZQU-UHFFFAOYSA-N 0 0 405.527 5.181 40 0 HKABRN CCCc1nnc2sc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)nn12 ZINC000020609721 558389758 /nfs/dbraw/zinc/38/97/58/558389758.db2.gz NJBRDFZUCSJWGZ-UHFFFAOYSA-N 0 0 419.554 5.355 40 0 HKABRN CCCc1nnc2sc(-c3ccc(NC(=O)c4ccc(C)c(Cl)c4)cc3)nn12 ZINC000020609722 558389801 /nfs/dbraw/zinc/38/98/01/558389801.db2.gz YVBHNRHKMTULJT-UHFFFAOYSA-N 0 0 411.918 5.019 40 0 HKABRN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(OCc2ccccc2)cc1 ZINC000020609854 558389913 /nfs/dbraw/zinc/38/99/13/558389913.db2.gz IPRKVEZOJSPXPM-UHFFFAOYSA-N 0 0 420.472 5.252 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000020609884 558389932 /nfs/dbraw/zinc/38/99/32/558389932.db2.gz RKWAUMIZIJFWIR-NTCAYCPXSA-N 0 0 424.435 5.472 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1Cl ZINC000020609925 558389896 /nfs/dbraw/zinc/38/98/96/558389896.db2.gz ZIMRSPJFYLQOFH-UHFFFAOYSA-N 0 0 406.873 5.033 40 0 HKABRN Cc1ccc(-n2nc3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3n2)cc1 ZINC000020609944 558389926 /nfs/dbraw/zinc/38/99/26/558389926.db2.gz RUMRBFYMJMEJJF-UHFFFAOYSA-N 0 0 418.500 5.500 40 0 HKABRN Cc1ccc(-n2nc3ccc(NC(=O)c4cccc(OCC(C)C)c4)cc3n2)cc1 ZINC000020609978 525932183 /nfs/dbraw/zinc/93/21/83/525932183.db2.gz QSNMRQPQFGXHES-UHFFFAOYSA-N 0 0 400.482 5.016 40 0 HKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)c1 ZINC000020609979 558389946 /nfs/dbraw/zinc/38/99/46/558389946.db2.gz RLIQHFFSFQVJLG-QGZVFWFLSA-N 0 0 400.482 5.159 40 0 HKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)c1 ZINC000020609980 558389959 /nfs/dbraw/zinc/38/99/59/558389959.db2.gz RLIQHFFSFQVJLG-KRWDZBQOSA-N 0 0 400.482 5.159 40 0 HKABRN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3n2)cc1 ZINC000020609981 558389938 /nfs/dbraw/zinc/38/99/38/558389938.db2.gz YPBOVWGBYGKSBT-UHFFFAOYSA-N 0 0 400.482 5.016 40 0 HKABRN CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1 ZINC000020609982 558389910 /nfs/dbraw/zinc/38/99/10/558389910.db2.gz RLHAIWIDQHEQCI-QGZVFWFLSA-N 0 0 400.482 5.159 40 0 HKABRN CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1 ZINC000020609983 558389906 /nfs/dbraw/zinc/38/99/06/558389906.db2.gz RLHAIWIDQHEQCI-KRWDZBQOSA-N 0 0 400.482 5.159 40 0 HKABRN Cc1ccc(-n2nc3ccc(NC(=O)COc4cc(C)c(Cl)c(C)c4)cc3n2)cc1 ZINC000020609988 558389943 /nfs/dbraw/zinc/38/99/43/558389943.db2.gz XXEXEQZROXUCMD-UHFFFAOYSA-N 0 0 420.900 5.017 40 0 HKABRN Cc1ccc(-n2nc3ccc(NC(=O)COc4cc(C)ccc4C(C)C)cc3n2)cc1 ZINC000020610001 558389978 /nfs/dbraw/zinc/38/99/78/558389978.db2.gz OQIUOBWUVROJKF-UHFFFAOYSA-N 0 0 414.509 5.178 40 0 HKABRN Cc1ccc(-n2nc3ccc(NC(=O)COc4c(C)cc(C)cc4Cl)cc3n2)cc1 ZINC000020610003 558389974 /nfs/dbraw/zinc/38/99/74/558389974.db2.gz VPGUUTXDGLGTKI-UHFFFAOYSA-N 0 0 420.900 5.017 40 0 HKABRN COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000020610042 558390205 /nfs/dbraw/zinc/39/02/05/558390205.db2.gz OETOEEVYBOGPET-GIDUJCDVSA-N 0 0 412.493 5.204 40 0 HKABRN CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3n2)cc1 ZINC000020610107 558390174 /nfs/dbraw/zinc/39/01/74/558390174.db2.gz GLWRAXBQGBJWQS-UHFFFAOYSA-N 0 0 411.292 5.542 40 0 HKABRN CCc1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3n2)cc1 ZINC000020610109 558390181 /nfs/dbraw/zinc/39/01/81/558390181.db2.gz RHGXJIXSTSOBOL-UHFFFAOYSA-N 0 0 411.292 5.542 40 0 HKABRN CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3n2)cc1 ZINC000020610112 558390208 /nfs/dbraw/zinc/39/02/08/558390208.db2.gz LRGHCDGXRBCEPH-UHFFFAOYSA-N 0 0 418.500 5.902 40 0 HKABRN CCc1ccc(-n2nc3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1 ZINC000020610137 558390196 /nfs/dbraw/zinc/39/01/96/558390196.db2.gz QMKMPWMKEIXVAX-UHFFFAOYSA-N 0 0 422.941 5.367 40 0 HKABRN CCc1ccc(-n2nc3ccc(NC(=O)c4cc5ccccc5cc4OC)cc3n2)cc1 ZINC000020610146 558390202 /nfs/dbraw/zinc/39/02/02/558390202.db2.gz HQQZVBSZJVCBHH-UHFFFAOYSA-N 0 0 422.488 5.397 40 0 HKABRN CCc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc3n2)cc1 ZINC000020610155 558390169 /nfs/dbraw/zinc/39/01/69/558390169.db2.gz IZFYMSFUGJVLLY-VGOFMYFVSA-N 0 0 402.885 5.288 40 0 HKABRN CCc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000020610160 558390180 /nfs/dbraw/zinc/39/01/80/558390180.db2.gz BADWGLIOOWGVMS-CXUHLZMHSA-N 0 0 410.521 5.758 40 0 HKABRN CCc1ccc(-n2nc3ccc(NC(=O)c4cccc(OCC(C)C)c4)cc3n2)cc1 ZINC000020610179 558390182 /nfs/dbraw/zinc/39/01/82/558390182.db2.gz SFMJSUUIAJPDDL-UHFFFAOYSA-N 0 0 414.509 5.270 40 0 HKABRN CCc1ccc(-n2nc3ccc(NC(=O)c4cccc(O[C@H](C)CC)c4)cc3n2)cc1 ZINC000020610181 558390218 /nfs/dbraw/zinc/39/02/18/558390218.db2.gz NOQFCPRNXZJBHC-QGZVFWFLSA-N 0 0 414.509 5.413 40 0 HKABRN CCc1ccc(-n2nc3ccc(NC(=O)c4cccc(O[C@@H](C)CC)c4)cc3n2)cc1 ZINC000020610183 558390229 /nfs/dbraw/zinc/39/02/29/558390229.db2.gz NOQFCPRNXZJBHC-KRWDZBQOSA-N 0 0 414.509 5.413 40 0 HKABRN CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3n2)cc1 ZINC000020610185 558390183 /nfs/dbraw/zinc/39/01/83/558390183.db2.gz YWTNVXCMZUHURE-UHFFFAOYSA-N 0 0 414.509 5.270 40 0 HKABRN CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(O[C@H](C)CC)cc4)cc3n2)cc1 ZINC000020610186 558390234 /nfs/dbraw/zinc/39/02/34/558390234.db2.gz DADXHRLUDQQNHW-QGZVFWFLSA-N 0 0 414.509 5.413 40 0 HKABRN CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(O[C@@H](C)CC)cc4)cc3n2)cc1 ZINC000020610188 558390157 /nfs/dbraw/zinc/39/01/57/558390157.db2.gz DADXHRLUDQQNHW-KRWDZBQOSA-N 0 0 414.509 5.413 40 0 HKABRN CCc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000020610194 558390513 /nfs/dbraw/zinc/39/05/13/558390513.db2.gz JBHHDRLCPLHKKM-UHFFFAOYSA-N 0 0 414.509 5.124 40 0 HKABRN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000020610226 558390516 /nfs/dbraw/zinc/39/05/16/558390516.db2.gz JZQARVDILMUKAK-UHFFFAOYSA-N 0 0 400.482 5.195 40 0 HKABRN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c(Cl)c4)cc3n2)cc1 ZINC000020610227 558390561 /nfs/dbraw/zinc/39/05/61/558390561.db2.gz OAYLRFHTQNVFJM-UHFFFAOYSA-N 0 0 406.873 5.033 40 0 HKABRN CCOc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc3n2)cc1 ZINC000020610274 558390507 /nfs/dbraw/zinc/39/05/07/558390507.db2.gz JZQICOOWPWLGJP-LHHJGKSTSA-N 0 0 418.884 5.125 40 0 HKABRN O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(Cl)c(Cl)c1 ZINC000020610342 558390533 /nfs/dbraw/zinc/39/05/33/558390533.db2.gz QJIBMSVTZVNQQE-UHFFFAOYSA-N 0 0 401.228 5.119 40 0 HKABRN O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(-c2ccccc2)cc1 ZINC000020610346 558390564 /nfs/dbraw/zinc/39/05/64/558390564.db2.gz KNKKOWMTNLOSHS-UHFFFAOYSA-N 0 0 408.436 5.479 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 ZINC000020610388 568457700 /nfs/dbraw/zinc/45/77/00/568457700.db2.gz LIRWBTZFPZXZPQ-LHHJGKSTSA-N 0 0 400.457 5.335 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1 ZINC000020610446 558390736 /nfs/dbraw/zinc/39/07/36/558390736.db2.gz HTEDLNFHYDPRGN-UHFFFAOYSA-N 0 0 418.472 5.009 40 0 HKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3n2)cc1 ZINC000020610464 558390717 /nfs/dbraw/zinc/39/07/17/558390717.db2.gz LZSRMVDQOMQTFJ-UHFFFAOYSA-N 0 0 412.537 6.094 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1Cl ZINC000020610465 558390750 /nfs/dbraw/zinc/39/07/50/558390750.db2.gz YYXFPMUXRNHRGH-UHFFFAOYSA-N 0 0 404.901 5.758 40 0 HKABRN COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1Cl ZINC000020610495 558390766 /nfs/dbraw/zinc/39/07/66/558390766.db2.gz AGFBGNKWHVQQEM-UHFFFAOYSA-N 0 0 420.900 5.458 40 0 HKABRN CCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 ZINC000020610502 558390733 /nfs/dbraw/zinc/39/07/33/558390733.db2.gz KGKFQCFIGAFTGG-UHFFFAOYSA-N 0 0 400.482 5.195 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000020610507 558390781 /nfs/dbraw/zinc/39/07/81/558390781.db2.gz IUVBZFSWWXTEMR-UHFFFAOYSA-N 0 0 400.482 5.195 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000020610513 558390722 /nfs/dbraw/zinc/39/07/22/558390722.db2.gz ZXOYNWKWJOOKOQ-UHFFFAOYSA-N 0 0 414.509 5.585 40 0 HKABRN CC(C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000020610514 558390748 /nfs/dbraw/zinc/39/07/48/558390748.db2.gz INGYVYDFXZLYMR-UHFFFAOYSA-N 0 0 414.509 5.583 40 0 HKABRN CCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 ZINC000020610519 558390802 /nfs/dbraw/zinc/39/08/02/558390802.db2.gz CEEYKOMZTXAQMY-UHFFFAOYSA-N 0 0 414.509 5.585 40 0 HKABRN CC(C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 ZINC000020610520 558390724 /nfs/dbraw/zinc/39/07/24/558390724.db2.gz YPZKFGBYFGQQPA-UHFFFAOYSA-N 0 0 414.509 5.583 40 0 HKABRN COc1c(C)cccc1C(=O)Nc1ccc2nn(-c3ccc(C(C)C)cc3)nc2c1 ZINC000020610522 558390727 /nfs/dbraw/zinc/39/07/27/558390727.db2.gz UWHKPZLVEHMMRG-UHFFFAOYSA-N 0 0 400.482 5.113 40 0 HKABRN COc1ccc(Cl)cc1C(=O)Nc1ccc2nn(-c3ccc(C(C)C)cc3)nc2c1 ZINC000020610529 558390762 /nfs/dbraw/zinc/39/07/62/558390762.db2.gz XRBNHBYSEOEUNV-UHFFFAOYSA-N 0 0 420.900 5.458 40 0 HKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1 ZINC000020610574 558390715 /nfs/dbraw/zinc/39/07/15/558390715.db2.gz GAROZZDPMYIMIW-UHFFFAOYSA-N 0 0 404.901 5.379 40 0 HKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)CSc4ccccc4)cc3n2)cc1 ZINC000020610576 558390739 /nfs/dbraw/zinc/39/07/39/558390739.db2.gz OSFMDVTXKCZNOG-UHFFFAOYSA-N 0 0 402.523 5.275 40 0 HKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4cccc5ccccc54)cc3n2)cc1 ZINC000020610583 558390721 /nfs/dbraw/zinc/39/07/21/558390721.db2.gz LWMBYTRRSJMSOE-UHFFFAOYSA-N 0 0 406.489 5.949 40 0 HKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc3n2)cc1 ZINC000020610598 558390793 /nfs/dbraw/zinc/39/07/93/558390793.db2.gz NYQHIRUBDWRTSO-LHHJGKSTSA-N 0 0 416.912 5.849 40 0 HKABRN COc1ccc(/C=C/C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000020610602 558390745 /nfs/dbraw/zinc/39/07/45/558390745.db2.gz HTXOQNOFNZVBNQ-GIDUJCDVSA-N 0 0 412.493 5.204 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000020610603 558390799 /nfs/dbraw/zinc/39/07/99/558390799.db2.gz KXPWJTWOLRUDQF-FRKPEAEDSA-N 0 0 424.548 6.319 40 0 HKABRN CCc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000020610657 558390975 /nfs/dbraw/zinc/39/09/75/558390975.db2.gz LPZTZPFMBLIMNN-UHFFFAOYSA-N 0 0 414.509 5.124 40 0 HKABRN Cc1cccc(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1C ZINC000020610667 558391056 /nfs/dbraw/zinc/39/10/56/558391056.db2.gz WSXAWLGXHZOTIV-UHFFFAOYSA-N 0 0 414.509 5.178 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c(C)c1 ZINC000020610669 558390965 /nfs/dbraw/zinc/39/09/65/558390965.db2.gz BWRAVIAKKUVFPV-UHFFFAOYSA-N 0 0 414.509 5.178 40 0 HKABRN Cc1cc(C)cc(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 ZINC000020610671 558391022 /nfs/dbraw/zinc/39/10/22/558391022.db2.gz FSYXGGQGIRDPEM-UHFFFAOYSA-N 0 0 414.509 5.178 40 0 HKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)cc4)cc3n2)cc1 ZINC000020610678 558390956 /nfs/dbraw/zinc/39/09/56/558390956.db2.gz BRKOMZXLXHQTDH-UHFFFAOYSA-N 0 0 420.900 5.215 40 0 HKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)COc4ccccc4Cl)cc3n2)cc1 ZINC000020610685 558391031 /nfs/dbraw/zinc/39/10/31/558391031.db2.gz RYUZBUWULYAWKB-UHFFFAOYSA-N 0 0 420.900 5.215 40 0 HKABRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C(C)C)cc4)cc3n2)cc1Cl ZINC000020610705 558391050 /nfs/dbraw/zinc/39/10/50/558391050.db2.gz YUSUGYFPFVWYJB-UHFFFAOYSA-N 0 0 420.900 5.458 40 0 HKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 ZINC000020610918 558391051 /nfs/dbraw/zinc/39/10/51/558391051.db2.gz IVNSTICQXRJYGC-OAHLLOKOSA-N 0 0 420.900 5.504 40 0 HKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 ZINC000020610919 558390993 /nfs/dbraw/zinc/39/09/93/558390993.db2.gz IVNSTICQXRJYGC-HNNXBMFYSA-N 0 0 420.900 5.504 40 0 HKABRN CC[C@@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 ZINC000020610920 558390979 /nfs/dbraw/zinc/39/09/79/558390979.db2.gz GGBZWWXLSXZWKS-OAHLLOKOSA-N 0 0 420.900 5.504 40 0 HKABRN CC[C@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 ZINC000020610921 558391018 /nfs/dbraw/zinc/39/10/18/558391018.db2.gz GGBZWWXLSXZWKS-HNNXBMFYSA-N 0 0 420.900 5.504 40 0 HKABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccc(OCC(C)C)c1 ZINC000020610956 558391351 /nfs/dbraw/zinc/39/13/51/558391351.db2.gz DNTJMNSKXMVPOB-UHFFFAOYSA-N 0 0 400.482 5.016 40 0 HKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c1 ZINC000020610958 558391270 /nfs/dbraw/zinc/39/12/70/558391270.db2.gz FMKRHMCLDDHBHT-QGZVFWFLSA-N 0 0 400.482 5.159 40 0 HKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c1 ZINC000020610960 558391245 /nfs/dbraw/zinc/39/12/45/558391245.db2.gz FMKRHMCLDDHBHT-KRWDZBQOSA-N 0 0 400.482 5.159 40 0 HKABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(OCC(C)C)cc1 ZINC000020610962 558391310 /nfs/dbraw/zinc/39/13/10/558391310.db2.gz RLDNLQGNVQBBNT-UHFFFAOYSA-N 0 0 400.482 5.016 40 0 HKABRN CC[C@@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1 ZINC000020610963 558391331 /nfs/dbraw/zinc/39/13/31/558391331.db2.gz POBUJJNCEFKRCS-QGZVFWFLSA-N 0 0 400.482 5.159 40 0 HKABRN CC[C@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1 ZINC000020610964 558391294 /nfs/dbraw/zinc/39/12/94/558391294.db2.gz POBUJJNCEFKRCS-KRWDZBQOSA-N 0 0 400.482 5.159 40 0 HKABRN Cc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1Cl ZINC000020610980 558391388 /nfs/dbraw/zinc/39/13/88/558391388.db2.gz IPCTXFBWEPBVIQ-UHFFFAOYSA-N 0 0 411.292 5.596 40 0 HKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)CSc1ccccc1 ZINC000020610990 558391324 /nfs/dbraw/zinc/39/13/24/558391324.db2.gz XWNRUSXGXDOHFF-UHFFFAOYSA-N 0 0 408.914 5.113 40 0 HKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccc(Cl)c1Cl ZINC000020611104 558391339 /nfs/dbraw/zinc/39/13/39/558391339.db2.gz HWRZBIJXCOBMKX-UHFFFAOYSA-N 0 0 415.255 5.427 40 0 HKABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccc(OCC(C)C)c1 ZINC000020611146 558391318 /nfs/dbraw/zinc/39/13/18/558391318.db2.gz OEJQTOCNYXKXRN-UHFFFAOYSA-N 0 0 418.472 5.155 40 0 HKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c1 ZINC000020611147 558391307 /nfs/dbraw/zinc/39/13/07/558391307.db2.gz DMQWJACPLRPIDS-MRXNPFEDSA-N 0 0 418.472 5.298 40 0 HKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c1 ZINC000020611148 558391368 /nfs/dbraw/zinc/39/13/68/558391368.db2.gz DMQWJACPLRPIDS-INIZCTEOSA-N 0 0 418.472 5.298 40 0 HKABRN CC[C@@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 ZINC000020611149 558391364 /nfs/dbraw/zinc/39/13/64/558391364.db2.gz XOYNFKAZESPMAA-MRXNPFEDSA-N 0 0 418.472 5.298 40 0 HKABRN CC[C@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 ZINC000020611151 558391290 /nfs/dbraw/zinc/39/12/90/558391290.db2.gz XOYNFKAZESPMAA-INIZCTEOSA-N 0 0 418.472 5.298 40 0 HKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)CSc4ccccc4)cc3n2)cc1 ZINC000020611206 558391384 /nfs/dbraw/zinc/39/13/84/558391384.db2.gz CQFRXAFTHRUUAF-UHFFFAOYSA-N 0 0 402.523 5.022 40 0 HKABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1 ZINC000020611210 568457648 /nfs/dbraw/zinc/45/76/48/568457648.db2.gz JETHYQTWFANTRF-UHFFFAOYSA-N 0 0 404.901 5.126 40 0 HKABRN O=C(Nc1ccc(CSc2nc[nH]n2)cc1)c1sc2ccccc2c1Cl ZINC000020611334 558391459 /nfs/dbraw/zinc/39/14/59/558391459.db2.gz HQQMQFDROORFPR-UHFFFAOYSA-N 0 0 400.916 5.217 40 0 HKABRN O=C(Nc1ccc(CSc2nc[nH]n2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000020611340 558391488 /nfs/dbraw/zinc/39/14/88/558391488.db2.gz GSKAQACFNISAIQ-UHFFFAOYSA-N 0 0 410.886 5.263 40 0 HKABRN COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1cc2ccccc2o1 ZINC000020611387 558391493 /nfs/dbraw/zinc/39/14/93/558391493.db2.gz OSJCYOCBBKFBEM-UHFFFAOYSA-N 0 0 419.824 5.550 40 0 HKABRN COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)/C=C/c1ccccc1 ZINC000020611394 558391480 /nfs/dbraw/zinc/39/14/80/558391480.db2.gz AJKGDDMWPOOWRP-MDZDMXLPSA-N 0 0 405.841 5.204 40 0 HKABRN CCc1nc(SCc2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)n[nH]1 ZINC000020611445 558391538 /nfs/dbraw/zinc/39/15/38/558391538.db2.gz LCMPYIKHKSLXAV-UHFFFAOYSA-N 0 0 418.975 5.044 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000020611979 568457742 /nfs/dbraw/zinc/45/77/42/568457742.db2.gz KDUKDODTZKIUHB-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000020612000 568457837 /nfs/dbraw/zinc/45/78/37/568457837.db2.gz PZXJWQHCNGAGTL-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000020612009 568457835 /nfs/dbraw/zinc/45/78/35/568457835.db2.gz QVKQPZDSUXMGTG-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN O=C(Nc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000020612075 568457808 /nfs/dbraw/zinc/45/78/08/568457808.db2.gz JJVGZSXMABHXCG-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000020612079 568457801 /nfs/dbraw/zinc/45/78/01/568457801.db2.gz DFVNKTSIWGIPIZ-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN CC(C)Sc1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000020612833 568457823 /nfs/dbraw/zinc/45/78/23/568457823.db2.gz YMDIZKVJBWQGGX-UHFFFAOYSA-N 0 0 409.938 6.324 40 0 HKABRN O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc3nc(-c4ccc(Cl)cc4)nn3cc21 ZINC000020632572 558394983 /nfs/dbraw/zinc/39/49/83/558394983.db2.gz SSGVPJXQGRZVTO-AWEZNQCLSA-N 0 0 409.276 5.011 40 0 HKABRN O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc3nc(-c4ccc(Cl)cc4)nn3cc21 ZINC000020632575 558394986 /nfs/dbraw/zinc/39/49/86/558394986.db2.gz SSGVPJXQGRZVTO-CQSZACIVSA-N 0 0 409.276 5.011 40 0 HKABRN CCc1nn2c(nnc(C(=O)Nc3ccc(C)cc3C)c2C)c1-c1ccc(Cl)cc1 ZINC000020633758 558395164 /nfs/dbraw/zinc/39/51/64/558395164.db2.gz QCLNIWOFVKBAEN-UHFFFAOYSA-N 0 0 419.916 5.185 40 0 HKABRN CCc1nn2c(nnc(C(=O)Nc3ccc(CC)cc3)c2C)c1-c1ccc(Cl)cc1 ZINC000020633832 558395476 /nfs/dbraw/zinc/39/54/76/558395476.db2.gz UIMBHMNBRRNLJN-UHFFFAOYSA-N 0 0 419.916 5.130 40 0 HKABRN Cc1c(-c2ccccc2)c(N)c(Sc2ccc(Cl)cc2)c(=O)n1-c1ccccc1 ZINC000020635009 558395710 /nfs/dbraw/zinc/39/57/10/558395710.db2.gz VSMKILTZLUYCPW-UHFFFAOYSA-N 0 0 418.949 6.200 40 0 HKABRN COc1ccc(-c2cc(-c3ccc4ccccc4c3)nc3nc(C(F)(F)F)nn32)cc1 ZINC000020635891 558395892 /nfs/dbraw/zinc/39/58/92/558395892.db2.gz HCVFIOOVJMGLTO-UHFFFAOYSA-N 0 0 420.394 5.639 40 0 HKABRN CCSc1nc2nc(-c3ccc4ccccc4c3)cc(-c3ccc(OC)cc3)n2n1 ZINC000020635897 558395903 /nfs/dbraw/zinc/39/59/03/558395903.db2.gz ADPPWDKUNUJILC-UHFFFAOYSA-N 0 0 412.518 5.732 40 0 HKABRN CC(C)c1ccc([C@@H]2CC(=O)c3cn4nc(-c5ccc(Cl)cc5)nc4nc3C2)cc1 ZINC000020671757 558398377 /nfs/dbraw/zinc/39/83/77/558398377.db2.gz ZNLGISIBZKCYCJ-SFHVURJKSA-N 0 0 416.912 5.481 40 0 HKABRN CC(C)c1ccc([C@H]2CC(=O)c3cn4nc(-c5ccc(Cl)cc5)nc4nc3C2)cc1 ZINC000020671760 558398351 /nfs/dbraw/zinc/39/83/51/558398351.db2.gz ZNLGISIBZKCYCJ-GOSISDBHSA-N 0 0 416.912 5.481 40 0 HKABRN CC1(C)Cc2c(c(Nc3ccc(Cl)c(Cl)c3)nn2-c2ccccc2)C(=O)C1 ZINC000020672093 558398390 /nfs/dbraw/zinc/39/83/90/558398390.db2.gz TVPMKIZTJREWIN-UHFFFAOYSA-N 0 0 400.309 6.078 40 0 HKABRN CC1(C)Cc2c(c(Nc3cc(Cl)cc(Cl)c3)nn2-c2ccccc2)C(=O)C1 ZINC000020672098 558398324 /nfs/dbraw/zinc/39/83/24/558398324.db2.gz UEJKOFSMCIHCQA-UHFFFAOYSA-N 0 0 400.309 6.078 40 0 HKABRN C[C@H]1Cc2c(c(Nc3cccc(C(F)(F)F)c3)nn2-c2ccc(F)cc2)C(=O)C1 ZINC000020672212 558398407 /nfs/dbraw/zinc/39/84/07/558398407.db2.gz LJKVEXUVCKDKPU-LBPRGKRZSA-N 0 0 403.379 5.539 40 0 HKABRN C[C@@H]1Cc2c(c(Nc3cccc(C(F)(F)F)c3)nn2-c2ccc(F)cc2)C(=O)C1 ZINC000020672215 558398414 /nfs/dbraw/zinc/39/84/14/558398414.db2.gz LJKVEXUVCKDKPU-GFCCVEGCSA-N 0 0 403.379 5.539 40 0 HKABRN CCCC1=Nc2nc3ccccc3n2[C@H](c2cccc(OCC)c2)C1C(=O)OCC ZINC000020672364 558398528 /nfs/dbraw/zinc/39/85/28/558398528.db2.gz RDSQZVUWIZSLOL-JOCHJYFZSA-N 0 0 405.498 5.067 40 0 HKABRN CCCC1=Nc2nc3ccccc3n2[C@@H](c2cccc(OCC)c2)C1C(=O)OCC ZINC000020672367 558398596 /nfs/dbraw/zinc/39/85/96/558398596.db2.gz RDSQZVUWIZSLOL-QFIPXVFZSA-N 0 0 405.498 5.067 40 0 HKABRN CCCOc1cccc([C@@H]2C(C(=O)OCC)C(CCC)=Nc3nc4ccccc4n32)c1 ZINC000020672394 558398584 /nfs/dbraw/zinc/39/85/84/558398584.db2.gz ZQUQHFMETGJDDN-HSZRJFAPSA-N 0 0 419.525 5.457 40 0 HKABRN CCCOc1cccc([C@H]2C(C(=O)OCC)C(CCC)=Nc3nc4ccccc4n32)c1 ZINC000020672397 558398590 /nfs/dbraw/zinc/39/85/90/558398590.db2.gz ZQUQHFMETGJDDN-QHCPKHFHSA-N 0 0 419.525 5.457 40 0 HKABRN CCCOc1cccc([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)c1 ZINC000020672400 558398580 /nfs/dbraw/zinc/39/85/80/558398580.db2.gz USBBTZWBJIKZDP-JOCHJYFZSA-N 0 0 405.498 5.066 40 0 HKABRN CCCOc1cccc([C@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)c1 ZINC000020672403 558398611 /nfs/dbraw/zinc/39/86/11/558398611.db2.gz USBBTZWBJIKZDP-QFIPXVFZSA-N 0 0 405.498 5.066 40 0 HKABRN CCCCOc1cccc([C@@H]2C(C(=O)OCC)C(C)=Nc3nc4ccccc4n32)c1 ZINC000020672418 558398503 /nfs/dbraw/zinc/39/85/03/558398503.db2.gz OAKPVLJXKMBTSB-JOCHJYFZSA-N 0 0 405.498 5.067 40 0 HKABRN CCCCOc1cccc([C@H]2C(C(=O)OCC)C(C)=Nc3nc4ccccc4n32)c1 ZINC000020672421 558398532 /nfs/dbraw/zinc/39/85/32/558398532.db2.gz OAKPVLJXKMBTSB-QFIPXVFZSA-N 0 0 405.498 5.067 40 0 HKABRN CCCCOc1cccc([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)c1 ZINC000020672442 558398571 /nfs/dbraw/zinc/39/85/71/558398571.db2.gz BUCJWMXWTVFBTH-HSZRJFAPSA-N 0 0 419.525 5.456 40 0 HKABRN CCCCOc1cccc([C@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)c1 ZINC000020672445 558398534 /nfs/dbraw/zinc/39/85/34/558398534.db2.gz BUCJWMXWTVFBTH-QHCPKHFHSA-N 0 0 419.525 5.456 40 0 HKABRN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000020672460 558398574 /nfs/dbraw/zinc/39/85/74/558398574.db2.gz GGAGPBZFUCSESE-HSZRJFAPSA-N 0 0 419.525 5.313 40 0 HKABRN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(OCCC(C)C)c1 ZINC000020672463 558398520 /nfs/dbraw/zinc/39/85/20/558398520.db2.gz GGAGPBZFUCSESE-QHCPKHFHSA-N 0 0 419.525 5.313 40 0 HKABRN CCc1nn2c(nnc(C(=O)Nc3ccc(C)c(C)c3)c2C)c1-c1ccc(Cl)cc1 ZINC000020672690 558398602 /nfs/dbraw/zinc/39/86/02/558398602.db2.gz ZEQIYNWPAUTKJR-UHFFFAOYSA-N 0 0 419.916 5.185 40 0 HKABRN CCc1nn2c(nnc(C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1-c1ccc(F)cc1 ZINC000020672741 558398562 /nfs/dbraw/zinc/39/85/62/558398562.db2.gz BECXTDWILVCJKG-UHFFFAOYSA-N 0 0 423.879 5.015 40 0 HKABRN CCc1nn2c(nnc(C(=O)Nc3ccccc3)c2C)c1-c1cccc2ccccc21 ZINC000020672753 558398553 /nfs/dbraw/zinc/39/85/53/558398553.db2.gz OYXNSXYYUYHFLL-UHFFFAOYSA-N 0 0 407.477 5.068 40 0 HKABRN CCc1nn2c(nnc(C(=O)Nc3ccccc3C)c2C)c1-c1cccc2ccccc21 ZINC000020672756 558398604 /nfs/dbraw/zinc/39/86/04/558398604.db2.gz GFEMBNJHKGMQSR-UHFFFAOYSA-N 0 0 421.504 5.376 40 0 HKABRN CCc1nn2c(nnc(C(=O)Nc3ccc(C)cc3)c2C)c1-c1cccc2ccccc21 ZINC000020672788 558398492 /nfs/dbraw/zinc/39/84/92/558398492.db2.gz OFBFQGUFUONVHN-UHFFFAOYSA-N 0 0 421.504 5.376 40 0 HKABRN CCc1nn2c(nnc(C(=O)Nc3cccc(C)c3)c2C)c1-c1cccc2ccccc21 ZINC000020672808 558398787 /nfs/dbraw/zinc/39/87/87/558398787.db2.gz INRURRUBKPKWQU-UHFFFAOYSA-N 0 0 421.504 5.376 40 0 HKABRN CCOC(=O)C1C(C)=Nc2c(-c3ccccc3)c(C)nn2[C@@H]1c1ccc(Cl)cc1 ZINC000020674231 558399239 /nfs/dbraw/zinc/39/92/39/558399239.db2.gz CFALJBSJGMLJDD-OAQYLSRUSA-N 0 0 407.901 5.364 40 0 HKABRN CCOC(=O)C1C(C)=Nc2c(-c3ccccc3)c(C)nn2[C@H]1c1ccc(Cl)cc1 ZINC000020674234 558399245 /nfs/dbraw/zinc/39/92/45/558399245.db2.gz CFALJBSJGMLJDD-NRFANRHFSA-N 0 0 407.901 5.364 40 0 HKABRN CCOC(=O)C1C(C)=Nc2c(-c3ccc(Cl)cc3)c(C)nn2[C@@H]1c1ccc(C)cc1 ZINC000020674242 558399307 /nfs/dbraw/zinc/39/93/07/558399307.db2.gz IJAHBAFDCSUMKG-JOCHJYFZSA-N 0 0 421.928 5.672 40 0 HKABRN CCOC(=O)C1C(C)=Nc2c(-c3ccc(Cl)cc3)c(C)nn2[C@H]1c1ccc(C)cc1 ZINC000020674245 558399176 /nfs/dbraw/zinc/39/91/76/558399176.db2.gz IJAHBAFDCSUMKG-QFIPXVFZSA-N 0 0 421.928 5.672 40 0 HKABRN CC1(C)Cc2nn(-c3ccccc3)c(-c3ccc(OCc4ccccc4)cc3)c2C(=O)C1 ZINC000020674324 558399188 /nfs/dbraw/zinc/39/91/88/558399188.db2.gz MBDABVIDRWJCAE-UHFFFAOYSA-N 0 0 422.528 6.273 40 0 HKABRN COc1cccc(-c2cc(C(F)(F)F)n3nc(C)c(-c4cccc(Cl)c4)c3n2)c1 ZINC000020759759 568458055 /nfs/dbraw/zinc/45/80/55/568458055.db2.gz KHGPSSOYZCPAAX-UHFFFAOYSA-N 0 0 417.818 6.053 40 0 HKABRN Clc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)c(Cl)c1 ZINC000020759810 568458005 /nfs/dbraw/zinc/45/80/05/568458005.db2.gz XJLPGXDASOOFAH-UHFFFAOYSA-N 0 0 406.121 6.643 40 0 HKABRN Clc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)o2)c(Cl)c1 ZINC000020759881 568458030 /nfs/dbraw/zinc/45/80/30/568458030.db2.gz YMQODUJCROMISS-UHFFFAOYSA-N 0 0 405.266 5.386 40 0 HKABRN Clc1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)o2)c(Cl)c1 ZINC000020759886 568458072 /nfs/dbraw/zinc/45/80/72/568458072.db2.gz RFBZGHHJHBQQCN-UHFFFAOYSA-N 0 0 406.121 6.643 40 0 HKABRN COc1ccc(Cc2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cc1OC ZINC000020759902 568458023 /nfs/dbraw/zinc/45/80/23/568458023.db2.gz YDTZLOGJIJOLDP-UHFFFAOYSA-N 0 0 411.310 5.277 40 0 HKABRN COc1ccc(Cc2nnc(SCc3c(Cl)cccc3Cl)o2)cc1OC ZINC000020760036 568458035 /nfs/dbraw/zinc/45/80/35/568458035.db2.gz QZKRYFPGUHNNRF-UHFFFAOYSA-N 0 0 411.310 5.277 40 0 HKABRN O=C(CSc1nc2cc(Br)ccc2[nH]1)Nc1cccc2ccccc21 ZINC000020765246 568458813 /nfs/dbraw/zinc/45/88/13/568458813.db2.gz MPANVCNIDUCZLO-UHFFFAOYSA-N 0 0 412.312 5.209 40 0 HKABRN Cc1ccc(NC(=O)CSc2nc3cc(Br)ccc3[nH]2)cc1Cl ZINC000020765335 568458868 /nfs/dbraw/zinc/45/88/68/568458868.db2.gz SOIWWWBAQHXYTL-UHFFFAOYSA-N 0 0 410.724 5.018 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)CSc1nc2cc(Br)ccc2[nH]1 ZINC000020765342 568458876 /nfs/dbraw/zinc/45/88/76/568458876.db2.gz PBWBCYRDPFNAEP-UHFFFAOYSA-N 0 0 410.724 5.018 40 0 HKABRN CC(C)CCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(C(C)C)cc1)C3 ZINC000020795866 558414105 /nfs/dbraw/zinc/41/41/05/558414105.db2.gz IQELXUHZHZUNIE-GOSISDBHSA-N 0 0 408.571 5.299 40 0 HKABRN CC(C)CCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C3 ZINC000020795871 558414121 /nfs/dbraw/zinc/41/41/21/558414121.db2.gz IQELXUHZHZUNIE-SFHVURJKSA-N 0 0 408.571 5.299 40 0 HKABRN O=C1C[C@H](c2cccc(Cl)c2)Cc2nc3nc(-c4ccc(Cl)cc4)nn3cc21 ZINC000020796273 558414260 /nfs/dbraw/zinc/41/42/60/558414260.db2.gz MZCNGVDNHJVUNI-CQSZACIVSA-N 0 0 409.276 5.011 40 0 HKABRN O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc3nc(-c4ccc(Cl)cc4)nn3cc21 ZINC000020796277 558414272 /nfs/dbraw/zinc/41/42/72/558414272.db2.gz MZCNGVDNHJVUNI-AWEZNQCLSA-N 0 0 409.276 5.011 40 0 HKABRN C[C@H]1Cc2c(c(Nc3ccc(Cl)c(Cl)c3)nn2-c2ccc(F)cc2)C(=O)C1 ZINC000020796620 558414299 /nfs/dbraw/zinc/41/42/99/558414299.db2.gz NMGBBGXNMLCGRG-NSHDSACASA-N 0 0 404.272 5.827 40 0 HKABRN C[C@@H]1Cc2c(c(Nc3ccc(Cl)c(Cl)c3)nn2-c2ccc(F)cc2)C(=O)C1 ZINC000020796624 558414322 /nfs/dbraw/zinc/41/43/22/558414322.db2.gz NMGBBGXNMLCGRG-LLVKDONJSA-N 0 0 404.272 5.827 40 0 HKABRN C[C@H]1Cc2c(c(Nc3cc(Cl)cc(Cl)c3)nn2-c2ccc(F)cc2)C(=O)C1 ZINC000020796636 558414362 /nfs/dbraw/zinc/41/43/62/558414362.db2.gz WUBRMXVQXQJSHE-NSHDSACASA-N 0 0 404.272 5.827 40 0 HKABRN C[C@@H]1Cc2c(c(Nc3cc(Cl)cc(Cl)c3)nn2-c2ccc(F)cc2)C(=O)C1 ZINC000020796640 558414370 /nfs/dbraw/zinc/41/43/70/558414370.db2.gz WUBRMXVQXQJSHE-LLVKDONJSA-N 0 0 404.272 5.827 40 0 HKABRN CC1(C)Cc2c(c(Nc3cccc(C(F)(F)F)c3)nn2-c2ccc(F)cc2)C(=O)C1 ZINC000020796675 558414346 /nfs/dbraw/zinc/41/43/46/558414346.db2.gz XYFOHFCSZHUOBR-UHFFFAOYSA-N 0 0 417.406 5.929 40 0 HKABRN CC1(C)Cc2c(c(Nc3ccc(Cl)c(Cl)c3)nn2-c2ccc(F)cc2)C(=O)C1 ZINC000020796728 558414385 /nfs/dbraw/zinc/41/43/85/558414385.db2.gz GCXSPDFTTKLVJD-UHFFFAOYSA-N 0 0 418.299 6.217 40 0 HKABRN CC1(C)Cc2c(c(Nc3cc(Cl)cc(Cl)c3)nn2-c2ccc(F)cc2)C(=O)C1 ZINC000020796736 558414396 /nfs/dbraw/zinc/41/43/96/558414396.db2.gz UHJCQQNDZAQRNX-UHFFFAOYSA-N 0 0 418.299 6.217 40 0 HKABRN COc1ccc(-n2nc(Nc3ccccc3)c3c2C[C@H](c2ccccc2)CC3=O)cc1 ZINC000020796749 558414314 /nfs/dbraw/zinc/41/43/14/558414314.db2.gz DCBTZQRWHRYZCG-IBGZPJMESA-N 0 0 409.489 5.537 40 0 HKABRN COc1ccc(-n2nc(Nc3ccccc3)c3c2C[C@@H](c2ccccc2)CC3=O)cc1 ZINC000020796753 558414350 /nfs/dbraw/zinc/41/43/50/558414350.db2.gz DCBTZQRWHRYZCG-LJQANCHMSA-N 0 0 409.489 5.537 40 0 HKABRN COc1ccc(-n2nc(Nc3cccc(C(F)(F)F)c3)c3c2CCCC3=O)cc1 ZINC000020796778 558414275 /nfs/dbraw/zinc/41/42/75/558414275.db2.gz DGTMPKWPTRLWED-UHFFFAOYSA-N 0 0 401.388 5.162 40 0 HKABRN COc1ccc(-n2nc(Nc3ccc(Cl)c(Cl)c3)c3c2CCCC3=O)cc1 ZINC000020796818 558414341 /nfs/dbraw/zinc/41/43/41/558414341.db2.gz CTHXOPYJWHUVNN-UHFFFAOYSA-N 0 0 402.281 5.450 40 0 HKABRN COc1ccc(-n2nc(Nc3cc(Cl)cc(Cl)c3)c3c2CCCC3=O)cc1 ZINC000020796826 558414335 /nfs/dbraw/zinc/41/43/35/558414335.db2.gz AUDQBBMQJFXRCG-UHFFFAOYSA-N 0 0 402.281 5.450 40 0 HKABRN COc1ccc(-n2nc(Nc3cccc(C(F)(F)F)c3)c3c2C[C@H](C)CC3=O)cc1 ZINC000020796883 558414560 /nfs/dbraw/zinc/41/45/60/558414560.db2.gz NSKIKGODKUATEJ-ZDUSSCGKSA-N 0 0 415.415 5.408 40 0 HKABRN COc1ccc(-n2nc(Nc3cccc(C(F)(F)F)c3)c3c2C[C@@H](C)CC3=O)cc1 ZINC000020796886 558414605 /nfs/dbraw/zinc/41/46/05/558414605.db2.gz NSKIKGODKUATEJ-CYBMUJFWSA-N 0 0 415.415 5.408 40 0 HKABRN COc1ccc(-n2nc(Nc3ccc(Cl)c(Cl)c3)c3c2C[C@H](C)CC3=O)cc1 ZINC000020796991 558414576 /nfs/dbraw/zinc/41/45/76/558414576.db2.gz HGBINLXNNTZEPW-LBPRGKRZSA-N 0 0 416.308 5.696 40 0 HKABRN COc1ccc(-n2nc(Nc3ccc(Cl)c(Cl)c3)c3c2C[C@@H](C)CC3=O)cc1 ZINC000020796995 558414618 /nfs/dbraw/zinc/41/46/18/558414618.db2.gz HGBINLXNNTZEPW-GFCCVEGCSA-N 0 0 416.308 5.696 40 0 HKABRN COc1ccc(-n2nc(Nc3cc(Cl)cc(Cl)c3)c3c2C[C@H](C)CC3=O)cc1 ZINC000020797006 558414585 /nfs/dbraw/zinc/41/45/85/558414585.db2.gz WMLWJLMHOLQJOD-LBPRGKRZSA-N 0 0 416.308 5.696 40 0 HKABRN COc1ccc(-n2nc(Nc3cc(Cl)cc(Cl)c3)c3c2C[C@@H](C)CC3=O)cc1 ZINC000020797010 558414630 /nfs/dbraw/zinc/41/46/30/558414630.db2.gz WMLWJLMHOLQJOD-GFCCVEGCSA-N 0 0 416.308 5.696 40 0 HKABRN CCOc1ccc(Nc2nn(-c3ccc(OC)cc3)c3c2C(=O)CC(C)(C)C3)cc1 ZINC000020797026 558414634 /nfs/dbraw/zinc/41/46/34/558414634.db2.gz UACPLVXSQIUGAF-UHFFFAOYSA-N 0 0 405.498 5.178 40 0 HKABRN COc1ccc(-n2nc(Nc3ccc(C)cc3Cl)c3c2CC(C)(C)CC3=O)cc1 ZINC000020797038 558414532 /nfs/dbraw/zinc/41/45/32/558414532.db2.gz GTNNVGLDRMIDIY-UHFFFAOYSA-N 0 0 409.917 5.741 40 0 HKABRN COc1ccc(-n2nc(Nc3cccc(Cl)c3C)c3c2CC(C)(C)CC3=O)cc1 ZINC000020797087 558414589 /nfs/dbraw/zinc/41/45/89/558414589.db2.gz KCTRZIBIUDWBQU-UHFFFAOYSA-N 0 0 409.917 5.741 40 0 HKABRN COc1ccc(-n2nc(Nc3ccc(C)c(Cl)c3)c3c2CC(C)(C)CC3=O)cc1 ZINC000020797096 558414660 /nfs/dbraw/zinc/41/46/60/558414660.db2.gz MUJJSQBQADOTNZ-UHFFFAOYSA-N 0 0 409.917 5.741 40 0 HKABRN CCc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020797261 558414571 /nfs/dbraw/zinc/41/45/71/558414571.db2.gz XCLIVAKJTCWTSC-XMMPIXPASA-N 0 0 408.505 5.526 40 0 HKABRN CCc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020797265 558414595 /nfs/dbraw/zinc/41/45/95/558414595.db2.gz XCLIVAKJTCWTSC-DEOSSOPVSA-N 0 0 408.505 5.526 40 0 HKABRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(Cl)c2)n2c3ccccc3nc2N1 ZINC000020797280 558414523 /nfs/dbraw/zinc/41/45/23/558414523.db2.gz HVDAGUUAWCTFKO-JOCHJYFZSA-N 0 0 414.896 5.617 40 0 HKABRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(Cl)c2)n2c3ccccc3nc2N1 ZINC000020797284 558414536 /nfs/dbraw/zinc/41/45/36/558414536.db2.gz HVDAGUUAWCTFKO-QFIPXVFZSA-N 0 0 414.896 5.617 40 0 HKABRN CCc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020797317 558414622 /nfs/dbraw/zinc/41/46/22/558414622.db2.gz ACUGCLPRPDIDMN-RUZDIDTESA-N 0 0 422.532 5.835 40 0 HKABRN CCc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000020797321 558414653 /nfs/dbraw/zinc/41/46/53/558414653.db2.gz ACUGCLPRPDIDMN-VWLOTQADSA-N 0 0 422.532 5.835 40 0 HKABRN Cc1c(C(=O)Nc2cccc(Cl)c2)nnc2c(-c3ccccc3)c(C(C)C)nn21 ZINC000020797832 558414602 /nfs/dbraw/zinc/41/46/02/558414602.db2.gz NBMMPWPWDALYTD-UHFFFAOYSA-N 0 0 405.889 5.129 40 0 HKABRN Cc1c(C(=O)Nc2ccccc2)nnc2c(-c3ccc(Cl)cc3)c(C(C)C)nn21 ZINC000020797850 558414563 /nfs/dbraw/zinc/41/45/63/558414563.db2.gz OCCOAIQKXRHAEG-UHFFFAOYSA-N 0 0 405.889 5.129 40 0 HKABRN Cc1c(C(=O)Nc2ccccc2Cl)nnc2c(-c3ccccc3)c(C(C)C)nn21 ZINC000020797895 558414801 /nfs/dbraw/zinc/41/48/01/558414801.db2.gz DNWPVGMSPUWFMF-UHFFFAOYSA-N 0 0 405.889 5.129 40 0 HKABRN Cc1c(C(=O)Nc2ccc(Cl)cc2)nnc2c(-c3ccccc3)c(C(C)C)nn21 ZINC000020797911 558414798 /nfs/dbraw/zinc/41/47/98/558414798.db2.gz MRERIGVNXFMITQ-UHFFFAOYSA-N 0 0 405.889 5.129 40 0 HKABRN COc1ccc(Nc2nc3c(c(-c4ccc(Cl)cc4)n2)C(=O)c2ccccc2-3)cc1 ZINC000020798098 558414926 /nfs/dbraw/zinc/41/49/26/558414926.db2.gz PITKBUWMMNUUPW-UHFFFAOYSA-N 0 0 413.864 5.761 40 0 HKABRN Cc1ccc(-c2nc(Nc3nc(C)c4cc(C)cc(C)c4n3)nc3c2CCCC3)cc1 ZINC000020798178 558414864 /nfs/dbraw/zinc/41/48/64/558414864.db2.gz QWAJUDVOLFBWSJ-UHFFFAOYSA-N 0 0 409.537 5.943 40 0 HKABRN FC(F)(F)c1cc(-c2cccs2)nc(N2CCC(Cc3ccccc3)CC2)n1 ZINC000020798192 558414788 /nfs/dbraw/zinc/41/47/88/558414788.db2.gz MZHOHHUOTBVFKQ-UHFFFAOYSA-N 0 0 403.473 5.683 40 0 HKABRN CC(C)CCc1cc(=O)[nH]c(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)n1 ZINC000020798219 558414869 /nfs/dbraw/zinc/41/48/69/558414869.db2.gz YPXQCIXLZJYGQQ-UHFFFAOYSA-N 0 0 419.916 5.366 40 0 HKABRN O=c1c2ccccc2nc(-c2ccc(-c3ccccc3)cc2)n1CCc1ccccc1 ZINC000020799212 558415113 /nfs/dbraw/zinc/41/51/13/558415113.db2.gz LPTRNLZJCHMUAM-UHFFFAOYSA-N 0 0 402.497 5.973 40 0 HKABRN O=c1c2ccccc2nc(-c2ccc(-c3ccccc3)cc2)n1CCc1cccs1 ZINC000020799220 558415138 /nfs/dbraw/zinc/41/51/38/558415138.db2.gz WKMWWSLCSVBPSH-UHFFFAOYSA-N 0 0 408.526 6.035 40 0 HKABRN COc1ccc(Cn2c(=O)c3ccccc3nc2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000020799224 558415282 /nfs/dbraw/zinc/41/52/82/558415282.db2.gz LYTUUWVABOQQBF-UHFFFAOYSA-N 0 0 418.496 5.787 40 0 HKABRN CC(C)c1ccc([C@H]2N=C(Nc3ccccc3)c3cnn(-c4ccccc4)c3N2)cc1 ZINC000020799570 558415317 /nfs/dbraw/zinc/41/53/17/558415317.db2.gz MOGGZFCHBUZSJR-DEOSSOPVSA-N 0 0 407.521 5.979 40 0 HKABRN CC(C)c1ccc([C@@H]2N=C(Nc3ccccc3)c3cnn(-c4ccccc4)c3N2)cc1 ZINC000020799575 558415329 /nfs/dbraw/zinc/41/53/29/558415329.db2.gz MOGGZFCHBUZSJR-XMMPIXPASA-N 0 0 407.521 5.979 40 0 HKABRN CCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000020969171 568460808 /nfs/dbraw/zinc/46/08/08/568460808.db2.gz NTSLHKGGTSCVJD-UHFFFAOYSA-N 0 0 401.491 5.385 40 0 HKABRN CCCCc1ccc(-n2nc3ccc(NC(=O)c4cccnc4Cl)cc3n2)cc1 ZINC000020969870 568460816 /nfs/dbraw/zinc/46/08/16/568460816.db2.gz JQDXEOULAZUMOJ-UHFFFAOYSA-N 0 0 405.889 5.064 40 0 HKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(C)cc2)cc1 ZINC000020970006 558425227 /nfs/dbraw/zinc/42/52/27/558425227.db2.gz URAKIMWMIHNFJD-RUZDIDTESA-N 0 0 422.532 5.835 40 0 HKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(C)cc2)cc1 ZINC000020970010 558425190 /nfs/dbraw/zinc/42/51/90/558425190.db2.gz URAKIMWMIHNFJD-VWLOTQADSA-N 0 0 422.532 5.835 40 0 HKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(O)cc2)cc1 ZINC000020970062 558425151 /nfs/dbraw/zinc/42/51/51/558425151.db2.gz DTIPOWHKJOEDNK-XMMPIXPASA-N 0 0 424.504 5.232 40 0 HKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(O)cc2)cc1 ZINC000020970065 558425208 /nfs/dbraw/zinc/42/52/08/558425208.db2.gz DTIPOWHKJOEDNK-DEOSSOPVSA-N 0 0 424.504 5.232 40 0 HKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(C)c2)cc1 ZINC000020970083 558425102 /nfs/dbraw/zinc/42/51/02/558425102.db2.gz HPVPUPMLSRTGRP-RUZDIDTESA-N 0 0 422.532 5.835 40 0 HKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(C)c2)cc1 ZINC000020970087 558425083 /nfs/dbraw/zinc/42/50/83/558425083.db2.gz HPVPUPMLSRTGRP-VWLOTQADSA-N 0 0 422.532 5.835 40 0 HKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(O)c2)cc1 ZINC000020970114 558425097 /nfs/dbraw/zinc/42/50/97/558425097.db2.gz FCZGUKSREJCSKV-XMMPIXPASA-N 0 0 424.504 5.232 40 0 HKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(O)c2)cc1 ZINC000020970118 558425165 /nfs/dbraw/zinc/42/51/65/558425165.db2.gz FCZGUKSREJCSKV-DEOSSOPVSA-N 0 0 424.504 5.232 40 0 HKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2C)cc1 ZINC000020970131 558425093 /nfs/dbraw/zinc/42/50/93/558425093.db2.gz SCLRNICHOBFHKS-RUZDIDTESA-N 0 0 422.532 5.835 40 0 HKABRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2C)cc1 ZINC000020970135 558425112 /nfs/dbraw/zinc/42/51/12/558425112.db2.gz SCLRNICHOBFHKS-VWLOTQADSA-N 0 0 422.532 5.835 40 0 HKABRN CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2)cc1 ZINC000020970326 558425160 /nfs/dbraw/zinc/42/51/60/558425160.db2.gz MSDROWPVVCMDSR-XMMPIXPASA-N 0 0 424.504 5.363 40 0 HKABRN CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2)cc1 ZINC000020970330 558425141 /nfs/dbraw/zinc/42/51/41/558425141.db2.gz MSDROWPVVCMDSR-DEOSSOPVSA-N 0 0 424.504 5.363 40 0 HKABRN CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccccc2)n2c3ccccc3nc2N1 ZINC000020970389 558425122 /nfs/dbraw/zinc/42/51/22/558425122.db2.gz YRQJWBJDTNJMIA-JOCHJYFZSA-N 0 0 414.896 5.617 40 0 HKABRN CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccccc2)n2c3ccccc3nc2N1 ZINC000020970393 558425179 /nfs/dbraw/zinc/42/51/79/558425179.db2.gz YRQJWBJDTNJMIA-QFIPXVFZSA-N 0 0 414.896 5.617 40 0 HKABRN O=C(CSc1n[nH]c(-c2ccccc2)n1)N1c2ccccc2Sc2ccccc21 ZINC000020971035 568460844 /nfs/dbraw/zinc/46/08/44/568460844.db2.gz WHQLPRISCXLXRL-UHFFFAOYSA-N 0 0 416.531 5.393 40 0 HKABRN CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccccc2)n2c3ccccc3nc2N1 ZINC000021005501 558428496 /nfs/dbraw/zinc/42/84/96/558428496.db2.gz UAENYLIOGWBECC-JOCHJYFZSA-N 0 0 414.896 5.617 40 0 HKABRN CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccccc2)n2c3ccccc3nc2N1 ZINC000021005502 558428551 /nfs/dbraw/zinc/42/85/51/558428551.db2.gz UAENYLIOGWBECC-QFIPXVFZSA-N 0 0 414.896 5.617 40 0 HKABRN CCOc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1 ZINC000021005522 558428504 /nfs/dbraw/zinc/42/85/04/558428504.db2.gz YRCADNJJDUAPBV-XMMPIXPASA-N 0 0 424.504 5.363 40 0 HKABRN CCOc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1 ZINC000021005524 558428630 /nfs/dbraw/zinc/42/86/30/558428630.db2.gz YRCADNJJDUAPBV-DEOSSOPVSA-N 0 0 424.504 5.363 40 0 HKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 ZINC000021005529 558428450 /nfs/dbraw/zinc/42/84/50/558428450.db2.gz WIJWMFXLPJIJFX-HSZRJFAPSA-N 0 0 413.452 5.165 40 0 HKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1ccc(F)cc1 ZINC000021005530 558428546 /nfs/dbraw/zinc/42/85/46/558428546.db2.gz WIJWMFXLPJIJFX-QHCPKHFHSA-N 0 0 413.452 5.165 40 0 HKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1ccc(CC)cc1 ZINC000021005535 558428619 /nfs/dbraw/zinc/42/86/19/558428619.db2.gz YYTWMTFVTDDDLX-RUZDIDTESA-N 0 0 423.516 5.588 40 0 HKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1ccc(CC)cc1 ZINC000021005537 558428426 /nfs/dbraw/zinc/42/84/26/558428426.db2.gz YYTWMTFVTDDDLX-VWLOTQADSA-N 0 0 423.516 5.588 40 0 HKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1cccc(C)c1 ZINC000021005550 558428520 /nfs/dbraw/zinc/42/85/20/558428520.db2.gz PVEJVXWFUABVAU-XMMPIXPASA-N 0 0 409.489 5.334 40 0 HKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1cccc(C)c1 ZINC000021005552 558428960 /nfs/dbraw/zinc/42/89/60/558428960.db2.gz PVEJVXWFUABVAU-DEOSSOPVSA-N 0 0 409.489 5.334 40 0 HKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1cccc(F)c1 ZINC000021005557 558428900 /nfs/dbraw/zinc/42/89/00/558428900.db2.gz DZJBGWFEGZTDKK-HSZRJFAPSA-N 0 0 413.452 5.165 40 0 HKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1cccc(F)c1 ZINC000021005558 558428868 /nfs/dbraw/zinc/42/88/68/558428868.db2.gz DZJBGWFEGZTDKK-QHCPKHFHSA-N 0 0 413.452 5.165 40 0 HKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1C ZINC000021005564 558428930 /nfs/dbraw/zinc/42/89/30/558428930.db2.gz YXKJNHOVGMPHKM-XMMPIXPASA-N 0 0 409.489 5.334 40 0 HKABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1ccccc1C ZINC000021005565 558428982 /nfs/dbraw/zinc/42/89/82/558428982.db2.gz YXKJNHOVGMPHKM-DEOSSOPVSA-N 0 0 409.489 5.334 40 0 HKABRN CCOC(=O)C1C(c2ccc(F)cc2)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1 ZINC000021005725 558428919 /nfs/dbraw/zinc/42/89/19/558428919.db2.gz QVDVNSJPCMIFAF-HSZRJFAPSA-N 0 0 413.452 5.165 40 0 HKABRN CCOC(=O)C1C(c2ccc(F)cc2)=Nc2nc3ccccc3n2[C@H]1c1ccccc1 ZINC000021005727 558428954 /nfs/dbraw/zinc/42/89/54/558428954.db2.gz QVDVNSJPCMIFAF-QHCPKHFHSA-N 0 0 413.452 5.165 40 0 HKABRN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000021123879 568461646 /nfs/dbraw/zinc/46/16/46/568461646.db2.gz GCCGZKQIWYPHKQ-UHFFFAOYSA-N 0 0 421.869 5.019 40 0 HKABRN CC(C)OC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000021124428 568461769 /nfs/dbraw/zinc/46/17/69/568461769.db2.gz NMMCZDZWRSQLKM-UHFFFAOYSA-N 0 0 418.276 6.071 40 0 HKABRN CC(C)OC(=O)c1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000021124749 568461797 /nfs/dbraw/zinc/46/17/97/568461797.db2.gz HRVAOOAELNRTJN-UHFFFAOYSA-N 0 0 418.276 6.071 40 0 HKABRN Cc1cccc(CSCC(=O)Nc2nnc(SCc3ccccc3)s2)c1 ZINC000021247718 558434463 /nfs/dbraw/zinc/43/44/63/558434463.db2.gz HPDNWFQUROBKIV-UHFFFAOYSA-N 0 0 401.582 5.011 40 0 HKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccccc1 ZINC000021305598 558435332 /nfs/dbraw/zinc/43/53/32/558435332.db2.gz WSVQDQWFUKXWNR-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1)Nc1nnc(SCc2ccccc2)s1 ZINC000021356652 558437195 /nfs/dbraw/zinc/43/71/95/558437195.db2.gz QUCNRQXUGRXPCY-UHFFFAOYSA-N 0 0 422.000 5.356 40 0 HKABRN O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000021465092 558438873 /nfs/dbraw/zinc/43/88/73/558438873.db2.gz MGSLXBCLGDJMPD-UHFFFAOYSA-N 0 0 413.663 6.012 40 0 HKABRN CCOc1ccccc1-c1nnc(SCC(=O)Nc2cccc3ccccc32)o1 ZINC000021545389 568466646 /nfs/dbraw/zinc/46/66/46/568466646.db2.gz GBMIXWHORTXJQX-UHFFFAOYSA-N 0 0 405.479 5.019 40 0 HKABRN CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000021545440 569349740 /nfs/dbraw/zinc/34/97/40/569349740.db2.gz ABWHCTZGAHPLTO-UHFFFAOYSA-N 0 0 424.309 5.173 40 0 HKABRN CCOc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)o1 ZINC000021545442 569349766 /nfs/dbraw/zinc/34/97/66/569349766.db2.gz VMTRMAQYFFCJEE-UHFFFAOYSA-N 0 0 424.309 5.173 40 0 HKABRN CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000021545940 569349726 /nfs/dbraw/zinc/34/97/26/569349726.db2.gz YDNVETZUXAGSMP-UHFFFAOYSA-N 0 0 424.309 5.173 40 0 HKABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000021576441 571041282 /nfs/dbraw/zinc/04/12/82/571041282.db2.gz YUKGGMZBMCKMCS-ZDUSSCGKSA-N 0 0 411.304 5.529 40 0 HKABRN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000021576466 571041292 /nfs/dbraw/zinc/04/12/92/571041292.db2.gz WXOPMDVTLIMKEN-UHFFFAOYSA-N 0 0 411.304 5.449 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1Br ZINC000021577026 571041367 /nfs/dbraw/zinc/04/13/67/571041367.db2.gz AMPSRUSPOOFPJW-UHFFFAOYSA-N 0 0 421.310 5.230 40 0 HKABRN O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(OCc2ccccc2)cc1 ZINC000021577032 571041385 /nfs/dbraw/zinc/04/13/85/571041385.db2.gz AGXVOULTDUZZOC-UHFFFAOYSA-N 0 0 404.485 5.647 40 0 HKABRN O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1cccc(OCc2ccccc2)c1 ZINC000021577044 568466509 /nfs/dbraw/zinc/46/65/09/568466509.db2.gz XTROHRNKLDKIIK-UHFFFAOYSA-N 0 0 404.485 5.647 40 0 HKABRN COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000021577064 568466465 /nfs/dbraw/zinc/46/64/65/568466465.db2.gz VRMIYESRFNFQPD-UHFFFAOYSA-N 0 0 421.310 5.148 40 0 HKABRN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(F)c2)cc1 ZINC000021577144 568466546 /nfs/dbraw/zinc/46/65/46/568466546.db2.gz NZAJIJMJSYWXCP-UHFFFAOYSA-N 0 0 413.562 5.240 40 0 HKABRN O=C(NC(=S)Nc1ccc(N2CCCCC2)c(F)c1)c1cccc2ccccc21 ZINC000021577301 568466481 /nfs/dbraw/zinc/46/64/81/568466481.db2.gz SQTNPEVFMFTLDM-UHFFFAOYSA-N 0 0 407.514 5.096 40 0 HKABRN O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1cc(Br)ccc1Cl ZINC000021577807 568466521 /nfs/dbraw/zinc/46/65/21/568466521.db2.gz ZWWDSTXGHUUNJI-UHFFFAOYSA-N 0 0 411.702 5.484 40 0 HKABRN O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1sc2cc(Cl)ccc2c1Cl ZINC000021577934 568466475 /nfs/dbraw/zinc/46/64/75/568466475.db2.gz BHWHXTOGNLEKNP-UHFFFAOYSA-N 0 0 423.340 6.590 40 0 HKABRN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000021578491 568466592 /nfs/dbraw/zinc/46/65/92/568466592.db2.gz ALDULFCXFZPIHU-UHFFFAOYSA-N 0 0 412.533 6.970 40 0 HKABRN Cc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1Cl ZINC000021578495 568466632 /nfs/dbraw/zinc/46/66/32/568466632.db2.gz CQGIYQAMOKMDPA-UHFFFAOYSA-N 0 0 404.897 6.634 40 0 HKABRN COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1Cl ZINC000021578542 571041274 /nfs/dbraw/zinc/04/12/74/571041274.db2.gz GIWGITXPXFDHDM-UHFFFAOYSA-N 0 0 420.896 6.334 40 0 HKABRN COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c(OC)c1 ZINC000021578548 571041389 /nfs/dbraw/zinc/04/13/89/571041389.db2.gz WSVLIBXMKWTNTA-UHFFFAOYSA-N 0 0 416.477 5.690 40 0 HKABRN COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1OC ZINC000021578550 571041288 /nfs/dbraw/zinc/04/12/88/571041288.db2.gz JXAXZRTWIYFFAL-UHFFFAOYSA-N 0 0 416.477 5.690 40 0 HKABRN COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c1 ZINC000021578553 571041432 /nfs/dbraw/zinc/04/14/32/571041432.db2.gz LOGMRCRKWVNEEZ-UHFFFAOYSA-N 0 0 416.477 5.690 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 ZINC000021578564 568466462 /nfs/dbraw/zinc/46/64/62/568466462.db2.gz HVWPAZNCWNJXJI-UHFFFAOYSA-N 0 0 400.478 6.071 40 0 HKABRN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000021578580 568466945 /nfs/dbraw/zinc/46/69/45/568466945.db2.gz DEGMIJAXSASDIJ-UHFFFAOYSA-N 0 0 414.505 6.460 40 0 HKABRN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cccc(OC(C)C)c4)c3)oc2cc1C ZINC000021578589 568466955 /nfs/dbraw/zinc/46/69/55/568466955.db2.gz AJAFRNZWSOVPHL-UHFFFAOYSA-N 0 0 414.505 6.460 40 0 HKABRN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)CSc1ccccc1 ZINC000021578643 568467023 /nfs/dbraw/zinc/46/70/23/568467023.db2.gz HHENFFCXMYKDNK-UHFFFAOYSA-N 0 0 402.519 6.151 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000021578648 568466970 /nfs/dbraw/zinc/46/69/70/568466970.db2.gz ZETWCRGCWJMUCC-UHFFFAOYSA-N 0 0 415.537 5.784 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)CC45CC6CC(CC(C6)C4)C5)ccc3o2)c1 ZINC000021578652 568466992 /nfs/dbraw/zinc/46/69/92/568466992.db2.gz UQDJQLNLHSJNKV-UHFFFAOYSA-N 0 0 416.521 6.048 40 0 HKABRN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc2c(c1)OCO2 ZINC000021578660 568466998 /nfs/dbraw/zinc/46/69/98/568466998.db2.gz HKCFVUMQPXIKKO-UHFFFAOYSA-N 0 0 400.434 5.401 40 0 HKABRN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000021578664 568466980 /nfs/dbraw/zinc/46/69/80/568466980.db2.gz OPXXKIIZUJYNRT-UHFFFAOYSA-N 0 0 414.461 5.444 40 0 HKABRN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cccc2ccccc21 ZINC000021578682 568466963 /nfs/dbraw/zinc/46/69/63/568466963.db2.gz CRQJNNHHRMNEHF-UHFFFAOYSA-N 0 0 406.485 6.826 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 ZINC000021578706 568466952 /nfs/dbraw/zinc/46/69/52/568466952.db2.gz CHROCWOTKXLZCY-UHFFFAOYSA-N 0 0 406.507 5.529 40 0 HKABRN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000021578716 568467018 /nfs/dbraw/zinc/46/70/18/568467018.db2.gz IWIKINDCJISLKR-YRNVUSSQSA-N 0 0 416.908 6.725 40 0 HKABRN COc1ccc(/C=C/C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 ZINC000021578723 568466951 /nfs/dbraw/zinc/46/69/51/568466951.db2.gz UNEIBMODUWVOBR-XYOKQWHBSA-N 0 0 412.489 6.081 40 0 HKABRN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000021578725 568466956 /nfs/dbraw/zinc/46/69/56/568466956.db2.gz GKZLQWTWAICQML-UKTHLTGXSA-N 0 0 424.544 7.195 40 0 HKABRN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(-c2ccccc2)o1 ZINC000021578784 568466990 /nfs/dbraw/zinc/46/69/90/568466990.db2.gz QIYSJGYRNLGLJY-UHFFFAOYSA-N 0 0 422.484 6.932 40 0 HKABRN Cc1cccc(OCC(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c1C ZINC000021578814 568466973 /nfs/dbraw/zinc/46/69/73/568466973.db2.gz LNQWSGQKHBDSJA-UHFFFAOYSA-N 0 0 414.505 6.054 40 0 HKABRN Cc1cccc(OCC(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c1 ZINC000021578829 568466954 /nfs/dbraw/zinc/46/69/54/568466954.db2.gz FBDNYQUEXUWIRZ-UHFFFAOYSA-N 0 0 400.478 5.746 40 0 HKABRN CCc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 ZINC000021578833 568466948 /nfs/dbraw/zinc/46/69/48/568466948.db2.gz HDIWRSYURGAJHQ-UHFFFAOYSA-N 0 0 414.505 6.000 40 0 HKABRN Cc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c(C)c1 ZINC000021578850 568467111 /nfs/dbraw/zinc/46/71/11/568467111.db2.gz DIAGPAQNTKMXDF-UHFFFAOYSA-N 0 0 414.505 6.054 40 0 HKABRN Cc1cc(C)cc(OCC(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c1 ZINC000021578854 568467112 /nfs/dbraw/zinc/46/71/12/568467112.db2.gz YMCCRMCWSXJDHQ-UHFFFAOYSA-N 0 0 414.505 6.054 40 0 HKABRN COc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 ZINC000021578858 568467087 /nfs/dbraw/zinc/46/70/87/568467087.db2.gz NIHXQJXNRNKGIS-UHFFFAOYSA-N 0 0 416.477 5.446 40 0 HKABRN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)COc1ccc(Cl)cc1 ZINC000021578869 568467117 /nfs/dbraw/zinc/46/71/17/568467117.db2.gz DCUTUWVXOGZUEV-UHFFFAOYSA-N 0 0 420.896 6.091 40 0 HKABRN Cc1cc2nc(-c3ccc(C)c(NC(=O)COc4ccccc4Cl)c3)oc2cc1C ZINC000021578876 568467071 /nfs/dbraw/zinc/46/70/71/568467071.db2.gz SXSKRMXAXNFXPV-UHFFFAOYSA-N 0 0 420.896 6.091 40 0 HKABRN Cc1cc2nc(-c3ccc(C)c(NC(=O)COc4ccccc4F)c3)oc2cc1C ZINC000021578897 568467080 /nfs/dbraw/zinc/46/70/80/568467080.db2.gz KMAFLMWZLJZZCR-UHFFFAOYSA-N 0 0 404.441 5.577 40 0 HKABRN Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4)c3)oc2cc1C ZINC000021578901 568467109 /nfs/dbraw/zinc/46/71/09/568467109.db2.gz MRHFNDQSJXPXRM-UHFFFAOYSA-N 0 0 415.518 5.547 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)c1 ZINC000021579029 568467084 /nfs/dbraw/zinc/46/70/84/568467084.db2.gz CFFQUVRYGPLUHC-UHFFFAOYSA-N 0 0 400.478 6.053 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)c4ccccc4Br)ccc3o2)c1 ZINC000021579043 568467105 /nfs/dbraw/zinc/46/71/05/568467105.db2.gz GKXKLOHQYNMTBM-UHFFFAOYSA-N 0 0 423.266 5.518 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)c4ccc(Br)cc4)ccc3o2)c1 ZINC000021579064 568467078 /nfs/dbraw/zinc/46/70/78/568467078.db2.gz GOJZITYWUHCRNP-UHFFFAOYSA-N 0 0 423.266 5.518 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3o2)c1 ZINC000021579070 568467081 /nfs/dbraw/zinc/46/70/81/568467081.db2.gz IZYWPZFJPYTJLC-UHFFFAOYSA-N 0 0 413.260 6.063 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)c4ccc(OC)c(Cl)c4)ccc3o2)c1 ZINC000021579090 568467074 /nfs/dbraw/zinc/46/70/74/568467074.db2.gz KLLCTGCOMBENOL-UHFFFAOYSA-N 0 0 408.841 5.418 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5)cc4)ccc3o2)c1 ZINC000021579107 568467116 /nfs/dbraw/zinc/46/71/16/568467116.db2.gz XEBVKUHSHOSBFO-UHFFFAOYSA-N 0 0 420.468 6.423 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)c4ccc(OC(C)C)cc4)ccc3o2)c1 ZINC000021579134 568467075 /nfs/dbraw/zinc/46/70/75/568467075.db2.gz VUCKQPQUZYCVLE-UHFFFAOYSA-N 0 0 402.450 5.543 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)c4cccc(OC(C)C)c4)ccc3o2)c1 ZINC000021579138 568467067 /nfs/dbraw/zinc/46/70/67/568467067.db2.gz MJDDYSNEDGIJGO-UHFFFAOYSA-N 0 0 402.450 5.543 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4OC)ccc3o2)c1 ZINC000021579151 568467092 /nfs/dbraw/zinc/46/70/92/568467092.db2.gz IGSLLYQRSLFGAD-UHFFFAOYSA-N 0 0 408.841 5.418 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)CSc4ccc(Cl)cc4)ccc3o2)c1 ZINC000021579234 568467070 /nfs/dbraw/zinc/46/70/70/568467070.db2.gz WLBVGOVVXAFFPI-UHFFFAOYSA-N 0 0 424.909 5.888 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)c4cc5ccccc5cc4OC)ccc3o2)c1 ZINC000021579250 568467104 /nfs/dbraw/zinc/46/71/04/568467104.db2.gz HLJJCTHYUBVIPV-UHFFFAOYSA-N 0 0 424.456 5.918 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)cc4)ccc3o2)c1 ZINC000021579282 568467068 /nfs/dbraw/zinc/46/70/68/568467068.db2.gz DBHMUGHVDNTIFK-KPKJPENVSA-N 0 0 404.853 5.809 40 0 HKABRN COc1ccc(/C=C/C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 ZINC000021579288 568467102 /nfs/dbraw/zinc/46/71/02/568467102.db2.gz IQRGRJRKYCMELC-MDWZMJQESA-N 0 0 400.434 5.164 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)/C=C/c4ccc(C(C)C)cc4)ccc3o2)c1 ZINC000021579292 568467091 /nfs/dbraw/zinc/46/70/91/568467091.db2.gz PNXWPVCTIKAQMM-NTEUORMPSA-N 0 0 412.489 6.279 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5)o4)ccc3o2)c1 ZINC000021579375 568467094 /nfs/dbraw/zinc/46/70/94/568467094.db2.gz ZHRGRZJCJLGLPY-UHFFFAOYSA-N 0 0 410.429 6.016 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)c4cccc(OCC(C)C)c4)ccc3o2)c1 ZINC000021579384 568467085 /nfs/dbraw/zinc/46/70/85/568467085.db2.gz IFQSUHGDMIXZFB-UHFFFAOYSA-N 0 0 416.477 5.791 40 0 HKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)c1 ZINC000021579388 568467093 /nfs/dbraw/zinc/46/70/93/568467093.db2.gz YCHQPVZKBSALPE-MRXNPFEDSA-N 0 0 416.477 5.933 40 0 HKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)c1 ZINC000021579392 568467101 /nfs/dbraw/zinc/46/71/01/568467101.db2.gz YCHQPVZKBSALPE-INIZCTEOSA-N 0 0 416.477 5.933 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)c4ccc(OCC(C)C)cc4)ccc3o2)c1 ZINC000021579396 568467077 /nfs/dbraw/zinc/46/70/77/568467077.db2.gz RCAPBGIVWPHHKV-UHFFFAOYSA-N 0 0 416.477 5.791 40 0 HKABRN CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 ZINC000021579400 568467107 /nfs/dbraw/zinc/46/71/07/568467107.db2.gz XWDQKGYSVBGXJW-MRXNPFEDSA-N 0 0 416.477 5.933 40 0 HKABRN CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 ZINC000021579404 568467090 /nfs/dbraw/zinc/46/70/90/568467090.db2.gz XWDQKGYSVBGXJW-INIZCTEOSA-N 0 0 416.477 5.933 40 0 HKABRN CCc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 ZINC000021579425 568467103 /nfs/dbraw/zinc/46/71/03/568467103.db2.gz JPBVOZJCBAMKPN-UHFFFAOYSA-N 0 0 402.450 5.083 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)COc4ccc(C(C)C)cc4)ccc3o2)c1 ZINC000021579430 568467118 /nfs/dbraw/zinc/46/71/18/568467118.db2.gz CSUPATDQPIGWEG-UHFFFAOYSA-N 0 0 416.477 5.644 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)COc4cccc(C)c4C)ccc3o2)c1 ZINC000021579453 568467114 /nfs/dbraw/zinc/46/71/14/568467114.db2.gz RUTKGEAWFBGURR-UHFFFAOYSA-N 0 0 402.450 5.138 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)COc4ccc(C)cc4C)ccc3o2)c1 ZINC000021579457 568467076 /nfs/dbraw/zinc/46/70/76/568467076.db2.gz BZJDDRFYHOAWNV-UHFFFAOYSA-N 0 0 402.450 5.138 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)COc4cc(C)cc(C)c4)ccc3o2)c1 ZINC000021579462 568467166 /nfs/dbraw/zinc/46/71/66/568467166.db2.gz HKYSUBATJTVORA-UHFFFAOYSA-N 0 0 402.450 5.138 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)COc4ccc(Cl)c(C)c4)ccc3o2)c1 ZINC000021579474 568467229 /nfs/dbraw/zinc/46/72/29/568467229.db2.gz AHJOVBFFDCFRBX-UHFFFAOYSA-N 0 0 422.868 5.483 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)c1 ZINC000021579479 568467156 /nfs/dbraw/zinc/46/71/56/568467156.db2.gz KWNGLAWWAVJWGV-UHFFFAOYSA-N 0 0 408.841 5.174 40 0 HKABRN COc1cccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3o2)c1 ZINC000021579496 568467179 /nfs/dbraw/zinc/46/71/79/568467179.db2.gz ZMZZNLZBXAKELX-UHFFFAOYSA-N 0 0 408.841 5.174 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1Br ZINC000021580272 568467234 /nfs/dbraw/zinc/46/72/34/568467234.db2.gz LVZPCNNCAAFADI-UHFFFAOYSA-N 0 0 422.282 5.253 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(Br)c1 ZINC000021580287 568467235 /nfs/dbraw/zinc/46/72/35/568467235.db2.gz ADGQUZJLGONUBN-UHFFFAOYSA-N 0 0 422.282 5.253 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(Br)cc1 ZINC000021580301 568467243 /nfs/dbraw/zinc/46/72/43/568467243.db2.gz GCQXCQYLEKYGQI-UHFFFAOYSA-N 0 0 422.282 5.253 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(Cl)c1Cl ZINC000021580311 568467313 /nfs/dbraw/zinc/46/73/13/568467313.db2.gz BEWPXIZWCYDBHM-UHFFFAOYSA-N 0 0 412.276 5.798 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000021580315 568467299 /nfs/dbraw/zinc/46/72/99/568467299.db2.gz RFOCJYXUUQTUIU-UHFFFAOYSA-N 0 0 412.276 5.798 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000021580319 568467353 /nfs/dbraw/zinc/46/73/53/568467353.db2.gz BCUFTESLXZYXRG-UHFFFAOYSA-N 0 0 412.276 5.798 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000021580323 568467279 /nfs/dbraw/zinc/46/72/79/568467279.db2.gz YNNBVWSYXISJOI-UHFFFAOYSA-N 0 0 412.276 5.798 40 0 HKABRN COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1Cl ZINC000021580335 568467329 /nfs/dbraw/zinc/46/73/29/568467329.db2.gz NYZCEIHGUXWAFC-UHFFFAOYSA-N 0 0 407.857 5.153 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000021580361 568467262 /nfs/dbraw/zinc/46/72/62/568467262.db2.gz YPVNESRJHFUZMT-UHFFFAOYSA-N 0 0 419.484 6.158 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1Cl ZINC000021580379 568467321 /nfs/dbraw/zinc/46/73/21/568467321.db2.gz RTPYTBSZUDLUFW-UHFFFAOYSA-N 0 0 421.884 5.543 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1 ZINC000021580389 568467276 /nfs/dbraw/zinc/46/72/76/568467276.db2.gz GOCZGOKFKFFXIA-UHFFFAOYSA-N 0 0 415.493 5.670 40 0 HKABRN CCCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1 ZINC000021580393 568467258 /nfs/dbraw/zinc/46/72/58/568467258.db2.gz PWZNOPMBBLVQSU-UHFFFAOYSA-N 0 0 401.466 5.280 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000021580397 568467339 /nfs/dbraw/zinc/46/73/39/568467339.db2.gz STAZEMFHFMNBQL-UHFFFAOYSA-N 0 0 401.466 5.278 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)c1 ZINC000021580407 568467264 /nfs/dbraw/zinc/46/72/64/568467264.db2.gz RBKWQRFYICKNSX-UHFFFAOYSA-N 0 0 415.493 5.670 40 0 HKABRN CCCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)c1 ZINC000021580411 568467302 /nfs/dbraw/zinc/46/73/02/568467302.db2.gz SWNWOGBMONUFFK-UHFFFAOYSA-N 0 0 401.466 5.280 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(OC(C)C)c1 ZINC000021580415 568467326 /nfs/dbraw/zinc/46/73/26/568467326.db2.gz GZOYBWAOQCSWKQ-UHFFFAOYSA-N 0 0 401.466 5.278 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc(Cl)ccc1OC ZINC000021580425 568467365 /nfs/dbraw/zinc/46/73/65/568467365.db2.gz JTVZLMIVVVBUDU-UHFFFAOYSA-N 0 0 407.857 5.153 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)CSc1ccc(Cl)cc1 ZINC000021580548 568467301 /nfs/dbraw/zinc/46/73/01/568467301.db2.gz LUKKWMGLRXAGBQ-UHFFFAOYSA-N 0 0 423.925 5.623 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc2ccccc2cc1OC ZINC000021580571 568467251 /nfs/dbraw/zinc/46/72/51/568467251.db2.gz NVEKJQITZIQBOM-UHFFFAOYSA-N 0 0 423.472 5.653 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000021580607 568467345 /nfs/dbraw/zinc/46/73/45/568467345.db2.gz MDRUEVJFZYCLHS-MDWZMJQESA-N 0 0 403.869 5.544 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000021580610 568467311 /nfs/dbraw/zinc/46/73/11/568467311.db2.gz JTYYTZGTPFOMLU-XNTDXEJSSA-N 0 0 411.505 6.014 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccccc2)o1 ZINC000021580656 568467350 /nfs/dbraw/zinc/46/73/50/568467350.db2.gz KXRCUJXAHUAWMQ-UHFFFAOYSA-N 0 0 409.445 5.751 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCC(C)C)cc1 ZINC000021580701 568467306 /nfs/dbraw/zinc/46/73/06/568467306.db2.gz RHDASMCHSURMNO-UHFFFAOYSA-N 0 0 415.493 5.526 40 0 HKABRN CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1 ZINC000021580705 568467274 /nfs/dbraw/zinc/46/72/74/568467274.db2.gz HGOWXEGPOQKZGQ-MRXNPFEDSA-N 0 0 415.493 5.668 40 0 HKABRN CC[C@H](C)Oc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1 ZINC000021580708 568467304 /nfs/dbraw/zinc/46/73/04/568467304.db2.gz HGOWXEGPOQKZGQ-INIZCTEOSA-N 0 0 415.493 5.668 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(OCC(C)C)c1 ZINC000021580712 568467249 /nfs/dbraw/zinc/46/72/49/568467249.db2.gz UJHRWKJHKRWKCL-UHFFFAOYSA-N 0 0 415.493 5.526 40 0 HKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)c1 ZINC000021580716 568467298 /nfs/dbraw/zinc/46/72/98/568467298.db2.gz JULRZJGOZVMAFG-MRXNPFEDSA-N 0 0 415.493 5.668 40 0 HKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)c1 ZINC000021580719 568467253 /nfs/dbraw/zinc/46/72/53/568467253.db2.gz JULRZJGOZVMAFG-INIZCTEOSA-N 0 0 415.493 5.668 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000021580743 568467396 /nfs/dbraw/zinc/46/73/96/568467396.db2.gz PNIILTXCJJABIU-UHFFFAOYSA-N 0 0 415.493 5.379 40 0 HKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000021580786 568467486 /nfs/dbraw/zinc/46/74/86/568467486.db2.gz FSNARXLRPWYCTJ-UHFFFAOYSA-N 0 0 421.884 5.218 40 0 HKABRN O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000021587658 558442437 /nfs/dbraw/zinc/44/24/37/558442437.db2.gz UFPQCRBOHPLSNJ-UHFFFAOYSA-N 0 0 401.797 5.042 40 0 HKABRN Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2C)cc1C ZINC000021595167 558442681 /nfs/dbraw/zinc/44/26/81/558442681.db2.gz QSUXPNBSHBAHJI-UHFFFAOYSA-N 0 0 410.517 5.609 40 0 HKABRN CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc5nsnc5c4)cc3)nc2c1 ZINC000021595224 568467480 /nfs/dbraw/zinc/46/74/80/568467480.db2.gz VBZLJIKPNURWEX-UHFFFAOYSA-N 0 0 414.490 5.875 40 0 HKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2nc3c(cccc3Cl)s2)cc1 ZINC000021595241 568467436 /nfs/dbraw/zinc/46/74/36/568467436.db2.gz ZWQVVYZZPRWRIV-UHFFFAOYSA-N 0 0 402.947 6.043 40 0 HKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000021595269 568467462 /nfs/dbraw/zinc/46/74/62/568467462.db2.gz CNUUWCCFJLAAIQ-UHFFFAOYSA-N 0 0 422.322 5.816 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccccc1OC(F)F ZINC000021595271 568467434 /nfs/dbraw/zinc/46/74/34/568467434.db2.gz RLQMUJZLXWYJGD-ACCUITESSA-N 0 0 414.433 5.074 40 0 HKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 ZINC000021595307 568467544 /nfs/dbraw/zinc/46/75/44/568467544.db2.gz IRLYBQNCGULCOZ-UHFFFAOYSA-N 0 0 401.506 6.680 40 0 HKABRN Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cccc1-c1nc2ccccc2o1 ZINC000021595309 568467591 /nfs/dbraw/zinc/46/75/91/568467591.db2.gz UDDVISIZRLFRBP-BMRADRMJSA-N 0 0 420.468 6.715 40 0 HKABRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000021595335 568467545 /nfs/dbraw/zinc/46/75/45/568467545.db2.gz PVCSFDSVHGQLSC-SDNWHVSQSA-N 0 0 421.456 6.110 40 0 HKABRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc5nsnc5c4)c3)nc2c1 ZINC000021595341 568467604 /nfs/dbraw/zinc/46/76/04/568467604.db2.gz PJWHXPZDSHVOAO-UHFFFAOYSA-N 0 0 420.881 5.714 40 0 HKABRN CCc1ccc2oc(-c3cccc(NC(=O)c4ccc5nsnc5c4)c3)nc2c1 ZINC000021595349 568467579 /nfs/dbraw/zinc/46/75/79/568467579.db2.gz CIIWMPYHOFVJCM-UHFFFAOYSA-N 0 0 400.463 5.314 40 0 HKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1 ZINC000021595377 568467505 /nfs/dbraw/zinc/46/75/05/568467505.db2.gz PJCZFDPWXQEUKF-UHFFFAOYSA-N 0 0 413.109 5.008 40 0 HKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(NC(=O)c2ccco2)ccc1C ZINC000021595423 568467551 /nfs/dbraw/zinc/46/75/51/568467551.db2.gz XPQYAUCLEOFCBA-UHFFFAOYSA-N 0 0 419.264 5.408 40 0 HKABRN Cc1cc(NC(=O)c2ccc3ccccc3c2)cc(C)c1I ZINC000021595427 568467565 /nfs/dbraw/zinc/46/75/65/568467565.db2.gz IDJZLFSTZAJCQI-UHFFFAOYSA-N 0 0 401.247 5.314 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cccc2c(O)cccc12 ZINC000021595480 568467569 /nfs/dbraw/zinc/46/75/69/568467569.db2.gz SFYHPGBPFUOWPR-FYWRMAATSA-N 0 0 414.486 5.332 40 0 HKABRN Cc1ccc2c(cccc2NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)n1 ZINC000021595487 568467602 /nfs/dbraw/zinc/46/76/02/568467602.db2.gz OECHVOOPKKBYQS-XYOKQWHBSA-N 0 0 423.299 6.762 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc5nsnc5c4)ccc3o2)c1 ZINC000021595490 568467585 /nfs/dbraw/zinc/46/75/85/568467585.db2.gz VLAXUOFBSXBWSH-UHFFFAOYSA-N 0 0 400.463 5.369 40 0 HKABRN Cc1ccc2cccc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)c2n1 ZINC000021595514 568467529 /nfs/dbraw/zinc/46/75/29/568467529.db2.gz APVVOPLQZGQNIM-UHFFFAOYSA-N 0 0 405.910 5.477 40 0 HKABRN COc1cc2sc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)nc2cc1Cl ZINC000021595516 568467581 /nfs/dbraw/zinc/46/75/81/568467581.db2.gz XAGFGORAPRFDPL-CSKARUKUSA-N 0 0 410.882 5.870 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000021595541 568467553 /nfs/dbraw/zinc/46/75/53/568467553.db2.gz IUQUHIWKSZLVRA-DHZHZOJOSA-N 0 0 400.862 5.266 40 0 HKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000021595548 568467639 /nfs/dbraw/zinc/46/76/39/568467639.db2.gz UEOQTOPZDSEBTN-UHFFFAOYSA-N 0 0 408.311 5.682 40 0 HKABRN Cc1ccc2cccc(NC(=O)c3cc(I)ccc3Cl)c2n1 ZINC000021595566 568467695 /nfs/dbraw/zinc/46/76/95/568467695.db2.gz CXZANIXDWUFHSY-UHFFFAOYSA-N 0 0 422.653 5.054 40 0 HKABRN O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc2nsnc2c1 ZINC000021595584 568467631 /nfs/dbraw/zinc/46/76/31/568467631.db2.gz GPJOMUOUFZNSNG-UHFFFAOYSA-N 0 0 422.469 5.905 40 0 HKABRN CCC(=O)Nc1nc2ccc(NC(=O)COc3ccc([C@H](C)CC)cc3)cc2s1 ZINC000021595625 568467621 /nfs/dbraw/zinc/46/76/21/568467621.db2.gz CWIOPQNCJSPZHQ-CQSZACIVSA-N 0 0 411.527 5.176 40 0 HKABRN CCC(=O)Nc1nc2ccc(NC(=O)COc3ccc([C@@H](C)CC)cc3)cc2s1 ZINC000021595626 568467686 /nfs/dbraw/zinc/46/76/86/568467686.db2.gz CWIOPQNCJSPZHQ-AWEZNQCLSA-N 0 0 411.527 5.176 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c(OC)c1 ZINC000021595649 568467709 /nfs/dbraw/zinc/46/77/09/568467709.db2.gz OZXVCVQBQLEJNX-UHFFFAOYSA-N 0 0 402.450 5.381 40 0 HKABRN COc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c(OC)c1 ZINC000021595668 568467707 /nfs/dbraw/zinc/46/77/07/568467707.db2.gz HWGMRPRTDOCUAU-UHFFFAOYSA-N 0 0 422.868 5.726 40 0 HKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000021595718 568467625 /nfs/dbraw/zinc/46/76/25/568467625.db2.gz ZZPYVYQZVMTEBA-UHFFFAOYSA-N 0 0 410.311 5.497 40 0 HKABRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)c2cccc(F)c2)c1Cl ZINC000021595740 568467633 /nfs/dbraw/zinc/46/76/33/568467633.db2.gz BDDUYAOAVSWUFI-UHFFFAOYSA-N 0 0 404.894 5.474 40 0 HKABRN Cc1ccc2nsnc2c1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000021595768 568467733 /nfs/dbraw/zinc/46/77/33/568467733.db2.gz LGUZEYDQDLXILX-UHFFFAOYSA-N 0 0 404.278 5.819 40 0 HKABRN CC(=O)Nc1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)sc2c1 ZINC000021595794 568467729 /nfs/dbraw/zinc/46/77/29/568467729.db2.gz ZYTVMUQUXISAQY-FMIVXFBMSA-N 0 0 403.463 5.167 40 0 HKABRN CC1CCN(c2ccccc2NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000021595825 568467679 /nfs/dbraw/zinc/46/76/79/568467679.db2.gz OMBSYDJKIHXSCC-UHFFFAOYSA-N 0 0 408.586 6.017 40 0 HKABRN COc1ccc(-c2csc(NC(=O)C(C)(C)Oc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000021595855 568467645 /nfs/dbraw/zinc/46/76/45/568467645.db2.gz CUAAGBACTIYLPM-UHFFFAOYSA-N 0 0 424.566 5.912 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c(OC)c1 ZINC000021595869 568467674 /nfs/dbraw/zinc/46/76/74/568467674.db2.gz UDAQDBGUJGRMCD-UHFFFAOYSA-N 0 0 407.857 5.153 40 0 HKABRN CN1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2Cl)CC1 ZINC000021595883 568467635 /nfs/dbraw/zinc/46/76/35/568467635.db2.gz YYLSDBRBVYOLDU-FMIVXFBMSA-N 0 0 421.928 5.004 40 0 HKABRN O=C(Nc1c2nsnc2ccc1Cl)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000021595918 568467681 /nfs/dbraw/zinc/46/76/81/568467681.db2.gz UUBHZULJUWFWIB-UHFFFAOYSA-N 0 0 424.696 6.164 40 0 HKABRN C[C@@H]1CCCCN1c1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000021595920 568467620 /nfs/dbraw/zinc/46/76/20/568467620.db2.gz UZKFFFCBIBTTDW-LJQANCHMSA-N 0 0 408.586 6.159 40 0 HKABRN C[C@H]1CCCCN1c1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000021595921 568467730 /nfs/dbraw/zinc/46/77/30/568467730.db2.gz UZKFFFCBIBTTDW-IBGZPJMESA-N 0 0 408.586 6.159 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc5nsnc5c4)ccc3o2)cc1C ZINC000021595943 568467667 /nfs/dbraw/zinc/46/76/67/568467667.db2.gz GBMRRYBVJLURGT-UHFFFAOYSA-N 0 0 400.463 5.369 40 0 HKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccccc1N1CCCCC1 ZINC000021595958 568467786 /nfs/dbraw/zinc/46/77/86/568467786.db2.gz LODQEXAGBCTZFU-UHFFFAOYSA-N 0 0 417.347 5.236 40 0 HKABRN CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2s1 ZINC000021595965 568467760 /nfs/dbraw/zinc/46/77/60/568467760.db2.gz JFGPZWFCGOHONH-UHFFFAOYSA-N 0 0 401.491 5.564 40 0 HKABRN CCc1ccc2oc(-c3ccc(NC(=O)c4ccc5nsnc5c4)cc3)nc2c1 ZINC000021595968 568467798 /nfs/dbraw/zinc/46/77/98/568467798.db2.gz HIXNLWFYKKFIEI-UHFFFAOYSA-N 0 0 400.463 5.314 40 0 HKABRN Cc1ccc2c(cccc2NC(=O)c2ccc(-c3ccc(Br)cc3)o2)n1 ZINC000021595974 568467801 /nfs/dbraw/zinc/46/78/01/568467801.db2.gz LSQUGNZELUZCIF-UHFFFAOYSA-N 0 0 407.267 5.818 40 0 HKABRN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc2nsnc2c1 ZINC000021596033 568467809 /nfs/dbraw/zinc/46/78/09/568467809.db2.gz CYZMSNAVJGDCFS-UHFFFAOYSA-N 0 0 422.922 5.874 40 0 HKABRN CCC(=O)Nc1nc2ccc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)cc2s1 ZINC000021596053 568467762 /nfs/dbraw/zinc/46/77/62/568467762.db2.gz FMFRZCDLWKYOOR-UHFFFAOYSA-N 0 0 424.309 5.213 40 0 HKABRN CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c1 ZINC000021596061 568467836 /nfs/dbraw/zinc/46/78/36/568467836.db2.gz WHTSNUMAELTWLG-SDNWHVSQSA-N 0 0 420.534 5.476 40 0 HKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1c2nsnc2ccc1Cl ZINC000021596064 568467769 /nfs/dbraw/zinc/46/77/69/568467769.db2.gz MKFBEZJTTLQSJT-UHFFFAOYSA-N 0 0 401.919 5.410 40 0 HKABRN CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2Cl)CC1 ZINC000021596092 568467841 /nfs/dbraw/zinc/46/78/41/568467841.db2.gz JSTWMECLUVJLCB-FMIVXFBMSA-N 0 0 420.940 6.488 40 0 HKABRN CCCn1nc(NC(=O)c2ccc(C(C)(C)C)cc2)c2cc3cc(C)ccc3nc21 ZINC000021596583 558442616 /nfs/dbraw/zinc/44/26/16/558442616.db2.gz VDEDFOYCGBUFQT-UHFFFAOYSA-N 0 0 400.526 5.853 40 0 HKABRN CCCCn1nc(NC(=O)COc2cccc(C)c2)c2cc3cc(C)ccc3nc21 ZINC000021596596 558442630 /nfs/dbraw/zinc/44/26/30/558442630.db2.gz FKCODJWQYLHQQJ-UHFFFAOYSA-N 0 0 402.498 5.019 40 0 HKABRN CC[C@@H](C)n1nc(NC(=O)COc2ccc(C)cc2)c2cc3cc(C)ccc3nc21 ZINC000021596602 558442638 /nfs/dbraw/zinc/44/26/38/558442638.db2.gz XVLUFLBBXIRDNW-QGZVFWFLSA-N 0 0 402.498 5.190 40 0 HKABRN CC[C@H](C)n1nc(NC(=O)COc2ccc(C)cc2)c2cc3cc(C)ccc3nc21 ZINC000021596603 558442640 /nfs/dbraw/zinc/44/26/40/558442640.db2.gz XVLUFLBBXIRDNW-KRWDZBQOSA-N 0 0 402.498 5.190 40 0 HKABRN CC[C@@H](C)n1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3cc(C)ccc3nc21 ZINC000021596604 558442626 /nfs/dbraw/zinc/44/26/26/558442626.db2.gz BEWSJKWGMIYOHC-OAHLLOKOSA-N 0 0 422.916 5.535 40 0 HKABRN CC[C@H](C)n1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3cc(C)ccc3nc21 ZINC000021596605 558442657 /nfs/dbraw/zinc/44/26/57/558442657.db2.gz BEWSJKWGMIYOHC-HNNXBMFYSA-N 0 0 422.916 5.535 40 0 HKABRN COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1OC ZINC000021706933 558446430 /nfs/dbraw/zinc/44/64/30/558446430.db2.gz MPLWHHKHVDNPSL-UHFFFAOYSA-N 0 0 400.434 5.278 40 0 HKABRN O=C(CSCc1cccc(Cl)c1)Nc1nnc(SCc2ccccc2)s1 ZINC000021954000 558456511 /nfs/dbraw/zinc/45/65/11/558456511.db2.gz TYBKYYXHFAIKPL-UHFFFAOYSA-N 0 0 422.000 5.356 40 0 HKABRN Cc1ccc(CSCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000021954002 558456491 /nfs/dbraw/zinc/45/64/91/558456491.db2.gz VQFJURPRVXTUCJ-UHFFFAOYSA-N 0 0 401.582 5.011 40 0 HKABRN Cc1ccc(S[C@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000021954266 558456505 /nfs/dbraw/zinc/45/65/05/558456505.db2.gz UGKABTRPEKPCBE-CQSZACIVSA-N 0 0 401.582 5.258 40 0 HKABRN Cc1ccc(S[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000021954269 558456410 /nfs/dbraw/zinc/45/64/10/558456410.db2.gz UGKABTRPEKPCBE-AWEZNQCLSA-N 0 0 401.582 5.258 40 0 HKABRN Clc1ccc(CO[C@@H](Cc2ncc[nH]2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000021983497 526950146 /nfs/dbraw/zinc/95/01/46/526950146.db2.gz VHVBYHWOJSMAKP-KRWDZBQOSA-N 0 0 416.135 6.524 40 0 HKABRN Clc1ccc(CO[C@H](Cc2ncc[nH]2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000021983499 526949380 /nfs/dbraw/zinc/94/93/80/526949380.db2.gz VHVBYHWOJSMAKP-QGZVFWFLSA-N 0 0 416.135 6.524 40 0 HKABRN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]23)C[C@@H](O)C[C@H]1O ZINC000021983613 559060961 /nfs/dbraw/zinc/06/09/61/559060961.db2.gz OFHCOWSQAMBJIW-WWWNWEDJSA-N 0 0 400.647 6.590 40 0 HKABRN COc1c(C)cnc(CSc2nc3cc(OCc4ccccc4)ccc3[nH]2)c1C ZINC000022051200 558459858 /nfs/dbraw/zinc/45/98/58/558459858.db2.gz MVSKSPIWDUMZMX-UHFFFAOYSA-N 0 0 405.523 5.455 40 0 in-vitro HKABRN CC(C)(C)OC(=O)NCCOP(=O)(OCc1ccccc1)OCc1ccccc1 ZINC000022052747 558459911 /nfs/dbraw/zinc/45/99/11/558459911.db2.gz RVSMWJQWFJMFMT-UHFFFAOYSA-N 0 0 421.430 5.069 40 0 in-vitro HKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1Nc1ccc(F)c(Cl)c1 ZINC000022053487 558459807 /nfs/dbraw/zinc/45/98/07/558459807.db2.gz YTVUSQKVDVWERE-UHFFFAOYSA-N 0 0 409.770 5.889 40 0 HKABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1Nc1ccc(F)c(Cl)c1 ZINC000022053618 558459914 /nfs/dbraw/zinc/45/99/14/558459914.db2.gz XVRZGKSKLBELGR-UHFFFAOYSA-N 0 0 409.770 5.889 40 0 HKABRN CCOc1ccc(CCNc2ncccc2C(=O)Nc2ccc(C)cc2)cc1OCC ZINC000022053776 558459895 /nfs/dbraw/zinc/45/98/95/558459895.db2.gz DWULVOCWCNAXCG-UHFFFAOYSA-N 0 0 419.525 5.094 40 0 HKABRN COc1ccc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cc1 ZINC000022062299 558460740 /nfs/dbraw/zinc/46/07/40/558460740.db2.gz DBQHWMPFMCOGIW-ABRSJASVSA-N 0 0 405.582 7.165 40 0 in-vitro HKABRN O=C(Nc1ccc(Cl)cc1)c1cccnc1Nc1ccc(Br)cc1 ZINC000022072282 558461540 /nfs/dbraw/zinc/46/15/40/558461540.db2.gz TYQODZXGUXAMBB-UHFFFAOYSA-N 0 0 402.679 5.493 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1cccnc1Nc1cccc(Br)c1 ZINC000022072292 558461563 /nfs/dbraw/zinc/46/15/63/558461563.db2.gz ZUDFXWUZFDBIDR-UHFFFAOYSA-N 0 0 402.679 5.493 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1cccnc1Nc1ccccc1Br ZINC000022072294 558461547 /nfs/dbraw/zinc/46/15/47/558461547.db2.gz KQRAZEANWLDLHM-UHFFFAOYSA-N 0 0 402.679 5.493 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 ZINC000022072302 558461548 /nfs/dbraw/zinc/46/15/48/558461548.db2.gz HIXIGGNYXNLICM-UHFFFAOYSA-N 0 0 407.779 5.630 40 0 HKABRN O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1ccc(Cl)cc1 ZINC000022072332 558461541 /nfs/dbraw/zinc/46/15/41/558461541.db2.gz IZCWSQUZSWUBOD-UHFFFAOYSA-N 0 0 402.679 5.493 40 0 HKABRN O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1ccccc1Cl ZINC000022072336 558461545 /nfs/dbraw/zinc/46/15/45/558461545.db2.gz IJGWTYJFWMZDLL-UHFFFAOYSA-N 0 0 402.679 5.493 40 0 HKABRN O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1ccc(F)c(Cl)c1 ZINC000022072348 558461560 /nfs/dbraw/zinc/46/15/60/558461560.db2.gz YADVZUJIYBPDMV-UHFFFAOYSA-N 0 0 420.669 5.633 40 0 HKABRN O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1cccc(Cl)c1 ZINC000022072350 558461567 /nfs/dbraw/zinc/46/15/67/558461567.db2.gz KVGKMSGBPLCLEB-UHFFFAOYSA-N 0 0 402.679 5.493 40 0 HKABRN CC(C)c1ccc(Nc2ncccc2C(=O)Nc2ccc(Br)cc2)cc1 ZINC000022072359 558461561 /nfs/dbraw/zinc/46/15/61/558461561.db2.gz VHJZDPRSNUVIQZ-UHFFFAOYSA-N 0 0 410.315 5.963 40 0 HKABRN O=C(Nc1ccccc1Cl)c1cccnc1Nc1ccc(Br)cc1 ZINC000022072393 558461584 /nfs/dbraw/zinc/46/15/84/558461584.db2.gz IWRUGNBVRAFTHD-UHFFFAOYSA-N 0 0 402.679 5.493 40 0 HKABRN O=C(Nc1ccccc1Cl)c1cccnc1Nc1cccc(Br)c1 ZINC000022072402 558461552 /nfs/dbraw/zinc/46/15/52/558461552.db2.gz SQOABTMYNQCTFD-UHFFFAOYSA-N 0 0 402.679 5.493 40 0 HKABRN O=C(Nc1ccccc1Cl)c1cccnc1Nc1ccccc1Br ZINC000022072404 558461800 /nfs/dbraw/zinc/46/18/00/558461800.db2.gz KLUYKJWXCFQWRR-UHFFFAOYSA-N 0 0 402.679 5.493 40 0 HKABRN O=C(Nc1ccccc1Cl)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 ZINC000022072412 558461828 /nfs/dbraw/zinc/46/18/28/558461828.db2.gz VTSZRYIKVZFOCB-UHFFFAOYSA-N 0 0 407.779 5.630 40 0 HKABRN CCOc1ccc(CCNc2ncccc2C(=O)Nc2cccc(C)c2)cc1OCC ZINC000022072433 558461732 /nfs/dbraw/zinc/46/17/32/558461732.db2.gz PSIFYVRWLPDNNG-UHFFFAOYSA-N 0 0 419.525 5.094 40 0 HKABRN CCOc1ccc(CCNc2ncccc2C(=O)Nc2ccccc2C)cc1OCC ZINC000022072490 558461819 /nfs/dbraw/zinc/46/18/19/558461819.db2.gz UDJMPISFENLYAX-UHFFFAOYSA-N 0 0 419.525 5.094 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Nc1ccc(F)c(Cl)c1 ZINC000022072575 558461787 /nfs/dbraw/zinc/46/17/87/558461787.db2.gz GVLSEYTXNREWPI-UHFFFAOYSA-N 0 0 410.663 6.177 40 0 HKABRN CC(C)c1ccc(Nc2ncccc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000022072585 558461757 /nfs/dbraw/zinc/46/17/57/558461757.db2.gz CNOYCLOQUHMDRC-UHFFFAOYSA-N 0 0 400.309 6.508 40 0 HKABRN COc1ccccc1CNc1ncccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000022072587 558461809 /nfs/dbraw/zinc/46/18/09/558461809.db2.gz NXUUBQURIRHXHP-UHFFFAOYSA-N 0 0 402.281 5.261 40 0 HKABRN O=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccc(Cl)cc1 ZINC000022072616 558461764 /nfs/dbraw/zinc/46/17/64/558461764.db2.gz HPDWMQRYGKMZGQ-UHFFFAOYSA-N 0 0 402.679 5.493 40 0 HKABRN O=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccccc1Cl ZINC000022072620 558461783 /nfs/dbraw/zinc/46/17/83/558461783.db2.gz PXVSGRSVWCBBIL-UHFFFAOYSA-N 0 0 402.679 5.493 40 0 HKABRN O=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccc(F)c(Cl)c1 ZINC000022072632 558461778 /nfs/dbraw/zinc/46/17/78/558461778.db2.gz HJVYEPUOCHCZQO-UHFFFAOYSA-N 0 0 420.669 5.633 40 0 HKABRN O=C(Nc1cccc(Br)c1)c1cccnc1Nc1cccc(Cl)c1 ZINC000022072634 558461797 /nfs/dbraw/zinc/46/17/97/558461797.db2.gz OMWQXOKXECCYNJ-UHFFFAOYSA-N 0 0 402.679 5.493 40 0 HKABRN CC(C)c1ccc(Nc2ncccc2C(=O)Nc2cccc(Br)c2)cc1 ZINC000022072642 558461771 /nfs/dbraw/zinc/46/17/71/558461771.db2.gz KFTYEZWKONZSSA-UHFFFAOYSA-N 0 0 410.315 5.963 40 0 HKABRN O=C(Nc1ccccc1Br)c1cccnc1Nc1ccc(Cl)cc1 ZINC000022072670 558461751 /nfs/dbraw/zinc/46/17/51/558461751.db2.gz GFJFZVKORAXMGJ-UHFFFAOYSA-N 0 0 402.679 5.493 40 0 HKABRN O=C(Nc1ccccc1Br)c1cccnc1Nc1ccccc1Cl ZINC000022072674 558461780 /nfs/dbraw/zinc/46/17/80/558461780.db2.gz FPNPLMANAQSJMZ-UHFFFAOYSA-N 0 0 402.679 5.493 40 0 HKABRN O=C(Nc1ccccc1Br)c1cccnc1Nc1ccc(F)c(Cl)c1 ZINC000022072686 558461755 /nfs/dbraw/zinc/46/17/55/558461755.db2.gz LBONECFSBMYDDO-UHFFFAOYSA-N 0 0 420.669 5.633 40 0 HKABRN O=C(Nc1ccccc1Br)c1cccnc1Nc1cccc(Cl)c1 ZINC000022072688 558461832 /nfs/dbraw/zinc/46/18/32/558461832.db2.gz IZHNXPBEIUGXIV-UHFFFAOYSA-N 0 0 402.679 5.493 40 0 HKABRN CC(C)c1ccc(Nc2ncccc2C(=O)Nc2ccccc2Br)cc1 ZINC000022072696 558461812 /nfs/dbraw/zinc/46/18/12/558461812.db2.gz WWKZOMIFNGMEJT-UHFFFAOYSA-N 0 0 410.315 5.963 40 0 HKABRN O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000022072702 558461806 /nfs/dbraw/zinc/46/18/06/558461806.db2.gz LVUZKWXNAASOKG-UHFFFAOYSA-N 0 0 409.770 5.889 40 0 HKABRN O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Nc1ccc(C(F)(F)F)cc1 ZINC000022072704 558461789 /nfs/dbraw/zinc/46/17/89/558461789.db2.gz JJRMPYAREBPHEE-UHFFFAOYSA-N 0 0 409.770 5.889 40 0 HKABRN O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Nc1ccc(Br)cc1 ZINC000022072728 558461744 /nfs/dbraw/zinc/46/17/44/558461744.db2.gz GTNVXXKAQBEMAX-UHFFFAOYSA-N 0 0 420.669 5.633 40 0 HKABRN O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 ZINC000022072736 558461738 /nfs/dbraw/zinc/46/17/38/558461738.db2.gz VOKCSUJIMHQLRW-UHFFFAOYSA-N 0 0 410.663 6.177 40 0 HKABRN O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Nc1cccc(Br)c1 ZINC000022072738 558461770 /nfs/dbraw/zinc/46/17/70/558461770.db2.gz WROVRFVCOLSVNT-UHFFFAOYSA-N 0 0 420.669 5.633 40 0 HKABRN O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Nc1ccccc1Br ZINC000022072740 558461802 /nfs/dbraw/zinc/46/18/02/558461802.db2.gz OSMYSJWIDPQPMP-UHFFFAOYSA-N 0 0 420.669 5.633 40 0 HKABRN O=C(Nc1cccc(Cl)c1)c1cccnc1Nc1ccc(Br)cc1 ZINC000022072784 558461793 /nfs/dbraw/zinc/46/17/93/558461793.db2.gz RUGLGPABEKKJEH-UHFFFAOYSA-N 0 0 402.679 5.493 40 0 HKABRN O=C(Nc1cccc(Cl)c1)c1cccnc1Nc1cccc(Br)c1 ZINC000022072794 558461824 /nfs/dbraw/zinc/46/18/24/558461824.db2.gz RBYWFKXVHLTZFJ-UHFFFAOYSA-N 0 0 402.679 5.493 40 0 HKABRN O=C(Nc1cccc(Cl)c1)c1cccnc1Nc1ccccc1Br ZINC000022072796 558461761 /nfs/dbraw/zinc/46/17/61/558461761.db2.gz AGPBURQQPCAQKE-UHFFFAOYSA-N 0 0 402.679 5.493 40 0 HKABRN O=C(Nc1cccc(Cl)c1)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 ZINC000022072804 558461815 /nfs/dbraw/zinc/46/18/15/558461815.db2.gz POACJRRSVFGLQJ-UHFFFAOYSA-N 0 0 407.779 5.630 40 0 HKABRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1Nc1ccc(Cl)cc1 ZINC000022072893 558461923 /nfs/dbraw/zinc/46/19/23/558461923.db2.gz VBYWTSWWQCZNLY-UHFFFAOYSA-N 0 0 407.779 5.630 40 0 HKABRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1Nc1ccccc1Cl ZINC000022072897 558461969 /nfs/dbraw/zinc/46/19/69/558461969.db2.gz PFQGSEHXALMQFI-UHFFFAOYSA-N 0 0 407.779 5.630 40 0 HKABRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1Nc1cccc(Cl)c1 ZINC000022072911 558461933 /nfs/dbraw/zinc/46/19/33/558461933.db2.gz SVRXNPLFSPSYSV-UHFFFAOYSA-N 0 0 407.779 5.630 40 0 HKABRN CC(C)c1ccc(Nc2ncccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000022072919 558461961 /nfs/dbraw/zinc/46/19/61/558461961.db2.gz KKCNQOUAOPLLEP-UHFFFAOYSA-N 0 0 415.415 6.100 40 0 HKABRN Cc1cccc(C)c1Nc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000022072923 558461937 /nfs/dbraw/zinc/46/19/37/558461937.db2.gz AFXXXSAEMJPQJL-UHFFFAOYSA-N 0 0 401.388 5.593 40 0 HKABRN CC(C)c1ccc(NC(=O)c2cccnc2Nc2ccc(Br)cc2)cc1 ZINC000022072985 558461977 /nfs/dbraw/zinc/46/19/77/558461977.db2.gz QTOFLUKVRQQAQO-UHFFFAOYSA-N 0 0 410.315 5.963 40 0 HKABRN CC(C)c1ccc(NC(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000022072993 558461963 /nfs/dbraw/zinc/46/19/63/558461963.db2.gz JDZDRARKYQIZSR-UHFFFAOYSA-N 0 0 400.309 6.508 40 0 HKABRN CC(C)c1ccc(NC(=O)c2cccnc2Nc2cccc(Br)c2)cc1 ZINC000022072995 558461942 /nfs/dbraw/zinc/46/19/42/558461942.db2.gz XVUKYYLHLWESTN-UHFFFAOYSA-N 0 0 410.315 5.963 40 0 HKABRN CC(C)c1ccc(NC(=O)c2cccnc2Nc2ccccc2Br)cc1 ZINC000022072997 558461947 /nfs/dbraw/zinc/46/19/47/558461947.db2.gz JXQUOJPLZLUUAJ-UHFFFAOYSA-N 0 0 410.315 5.963 40 0 HKABRN CC(C)c1ccc(NC(=O)c2cccnc2Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000022073005 558461951 /nfs/dbraw/zinc/46/19/51/558461951.db2.gz HPICUFWDIHEPAK-UHFFFAOYSA-N 0 0 415.415 6.100 40 0 HKABRN COc1ccccc1CNC(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1 ZINC000022073048 558461991 /nfs/dbraw/zinc/46/19/91/558461991.db2.gz SIGWTCGTCGDVOH-UHFFFAOYSA-N 0 0 402.281 5.071 40 0 HKABRN Cc1cccc(C)c1NC(=O)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 ZINC000022073120 558461999 /nfs/dbraw/zinc/46/19/99/558461999.db2.gz KANPRDQTXGNHRE-UHFFFAOYSA-N 0 0 401.388 5.593 40 0 HKABRN CCCc1n[nH]c(=S)n1NCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022109718 568475525 /nfs/dbraw/zinc/47/55/25/568475525.db2.gz IISYHIRNUSLEFI-UHFFFAOYSA-N 0 0 423.369 5.523 40 0 HKABRN CCCc1n[nH]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022109723 568475553 /nfs/dbraw/zinc/47/55/53/568475553.db2.gz KRBRLUWGBZLEBO-UHFFFAOYSA-N 0 0 423.369 5.523 40 0 HKABRN CCCc1n[nH]c(=S)n1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022109809 568475470 /nfs/dbraw/zinc/47/54/70/568475470.db2.gz JQWAOAZUDRIKLI-UHFFFAOYSA-N 0 0 423.369 5.523 40 0 HKABRN CCCc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022109913 568475564 /nfs/dbraw/zinc/47/55/64/568475564.db2.gz XEPFVTATWCMYLW-UHFFFAOYSA-N 0 0 423.369 5.523 40 0 HKABRN CCCc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022109918 568475562 /nfs/dbraw/zinc/47/55/62/568475562.db2.gz POPFTVXYIHUOSN-UHFFFAOYSA-N 0 0 423.369 5.523 40 0 HKABRN S=c1[nH]nc(-c2ccccc2)n1NCc1ccccc1OCc1ccc(Cl)cc1 ZINC000022109964 568475462 /nfs/dbraw/zinc/47/54/62/568475462.db2.gz PATMQHQOTKXIND-UHFFFAOYSA-N 0 0 422.941 5.584 40 0 HKABRN S=c1[nH]nc(-c2ccccc2)n1NCc1ccccc1OCc1ccccc1Cl ZINC000022109969 568475450 /nfs/dbraw/zinc/47/54/50/568475450.db2.gz NEPKZDPZVCNNAE-UHFFFAOYSA-N 0 0 422.941 5.584 40 0 HKABRN S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000022109979 568475479 /nfs/dbraw/zinc/47/54/79/568475479.db2.gz FRTZBCDWPZZGOE-UHFFFAOYSA-N 0 0 422.941 5.584 40 0 HKABRN S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(OCc2ccccc2Cl)cc1 ZINC000022109984 568475521 /nfs/dbraw/zinc/47/55/21/568475521.db2.gz NKGBLMRBQCJISW-UHFFFAOYSA-N 0 0 422.941 5.584 40 0 HKABRN S=c1[nH]nc(-c2ccccc2)n1NCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000022110101 568475447 /nfs/dbraw/zinc/47/54/47/568475447.db2.gz GRVNELIORKQWNU-UHFFFAOYSA-N 0 0 422.941 5.584 40 0 HKABRN S=c1[nH]nc(-c2ccccc2)n1NCc1cccc(OCc2ccccc2Cl)c1 ZINC000022110112 568475560 /nfs/dbraw/zinc/47/55/60/568475560.db2.gz MJNIMGLARKKPFW-UHFFFAOYSA-N 0 0 422.941 5.584 40 0 HKABRN S=c1[nH]nc(-c2ccccc2)n1NCc1cc(Cl)ccc1OCc1ccccc1 ZINC000022110218 568475509 /nfs/dbraw/zinc/47/55/09/568475509.db2.gz REVXDPFEOAYXQQ-UHFFFAOYSA-N 0 0 422.941 5.584 40 0 HKABRN CCc1n[nH]c(=S)n1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000022110383 568475466 /nfs/dbraw/zinc/47/54/66/568475466.db2.gz BQIYBXQILLTURH-UHFFFAOYSA-N 0 0 424.957 5.632 40 0 HKABRN CCc1n[nH]c(=S)n1NCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000022110389 568475531 /nfs/dbraw/zinc/47/55/31/568475531.db2.gz SOKBYCXXSLKMIO-UHFFFAOYSA-N 0 0 424.957 5.632 40 0 HKABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccccc2)ccc1OCc1cccs1 ZINC000022111328 568475712 /nfs/dbraw/zinc/47/57/12/568475712.db2.gz HHDQSBIWYMFFNC-UHFFFAOYSA-N 0 0 424.551 5.000 40 0 HKABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(OCc2cccs2)cc1 ZINC000022111340 568475686 /nfs/dbraw/zinc/47/56/86/568475686.db2.gz YNORURAUHCNBMH-UHFFFAOYSA-N 0 0 424.551 5.000 40 0 HKABRN S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000022111345 568475699 /nfs/dbraw/zinc/47/56/99/568475699.db2.gz SYDLUXIAJUNLKU-UHFFFAOYSA-N 0 0 417.321 5.918 40 0 HKABRN S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000022111349 568475710 /nfs/dbraw/zinc/47/57/10/568475710.db2.gz WWQAPNOFCMKXAA-UHFFFAOYSA-N 0 0 418.309 5.313 40 0 HKABRN S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000022111357 568475695 /nfs/dbraw/zinc/47/56/95/568475695.db2.gz INGRUTZIAXNGRE-UHFFFAOYSA-N 0 0 417.321 5.918 40 0 HKABRN S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000022111361 568475608 /nfs/dbraw/zinc/47/56/08/568475608.db2.gz OIAHBMGBWKUEER-UHFFFAOYSA-N 0 0 418.309 5.313 40 0 HKABRN S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000022111447 568475648 /nfs/dbraw/zinc/47/56/48/568475648.db2.gz KANQMFWDEKDNIA-UHFFFAOYSA-N 0 0 417.321 5.918 40 0 HKABRN S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000022111451 568475601 /nfs/dbraw/zinc/47/56/01/568475601.db2.gz MVJYJVCZLGOWDJ-UHFFFAOYSA-N 0 0 418.309 5.313 40 0 HKABRN S=c1[nH]ncn1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000022111835 568475626 /nfs/dbraw/zinc/47/56/26/568475626.db2.gz ZPRLGJDHFWKIEU-UHFFFAOYSA-N 0 0 415.733 5.224 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)c3cn(CC)c4ccccc4c3=O)ccc21 ZINC000022234495 558470144 /nfs/dbraw/zinc/47/01/44/558470144.db2.gz WZWUHOKHDDLLSZ-UHFFFAOYSA-N 0 0 409.489 5.402 40 0 HKABRN CCn1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(=O)c2cc(C)ccc21 ZINC000022234633 558470175 /nfs/dbraw/zinc/47/01/75/558470175.db2.gz UPYYTMRGEQFNQN-UHFFFAOYSA-N 0 0 409.700 5.542 40 0 HKABRN CCn1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(=O)c2cc(C)ccc21 ZINC000022234651 558470120 /nfs/dbraw/zinc/47/01/20/558470120.db2.gz RNOJNTIGWIVNGO-UHFFFAOYSA-N 0 0 408.807 5.254 40 0 HKABRN CCn1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)c2cc(C)ccc21 ZINC000022234654 558470157 /nfs/dbraw/zinc/47/01/57/558470157.db2.gz GBSPKBJEFCFPQX-UHFFFAOYSA-N 0 0 408.807 5.254 40 0 HKABRN CCn1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(=O)c2cc(C)ccc21 ZINC000022234656 558470150 /nfs/dbraw/zinc/47/01/50/558470150.db2.gz MYJMQJBBJBCYJF-UHFFFAOYSA-N 0 0 412.489 5.161 40 0 HKABRN CCn1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(=O)c2cc(C)ccc21 ZINC000022234726 558470115 /nfs/dbraw/zinc/47/01/15/558470115.db2.gz NDJFZCGUTCHWRK-UHFFFAOYSA-N 0 0 408.807 5.254 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)c3cn(CC)c4ccc(C)cc4c3=O)ccc21 ZINC000022234729 558470117 /nfs/dbraw/zinc/47/01/17/558470117.db2.gz FMVCKMDCSIUKML-UHFFFAOYSA-N 0 0 423.516 5.710 40 0 HKABRN CCn1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(=O)c2cc(Cl)ccc21 ZINC000022235071 558470302 /nfs/dbraw/zinc/47/03/02/558470302.db2.gz NQTULVGCKSGDBN-UHFFFAOYSA-N 0 0 412.770 5.085 40 0 HKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cn2c3c(cccc3c1=O)CCC2 ZINC000022235280 558470318 /nfs/dbraw/zinc/47/03/18/558470318.db2.gz NYJZGGPICBXZMI-UHFFFAOYSA-N 0 0 407.684 5.160 40 0 HKABRN O=C(Nc1ccccc1Sc1ccccc1)c1cn2c3c(cccc3c1=O)CCC2 ZINC000022235474 558470524 /nfs/dbraw/zinc/47/05/24/558470524.db2.gz IXENORFZGFYTDG-UHFFFAOYSA-N 0 0 412.514 5.351 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)c3cn4c5c(cccc5c3=O)CCC4)ccc21 ZINC000022235507 558470487 /nfs/dbraw/zinc/47/04/87/558470487.db2.gz TXOJLGNRBUKMGN-UHFFFAOYSA-N 0 0 421.500 5.328 40 0 HKABRN CCn1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(=O)c2cc(OC)ccc21 ZINC000022235836 558470551 /nfs/dbraw/zinc/47/05/51/558470551.db2.gz DOBVAVGRBBKNGK-UHFFFAOYSA-N 0 0 414.461 5.075 40 0 HKABRN CCn1cc(C(=O)Nc2ccccc2Oc2ccccc2)c(=O)c2cc(OC)ccc21 ZINC000022235989 558470466 /nfs/dbraw/zinc/47/04/66/558470466.db2.gz PSYJATXIEWOJQF-UHFFFAOYSA-N 0 0 414.461 5.075 40 0 HKABRN Cn1cc(C(=O)Nc2ccccc2Sc2ccccc2)c(=O)c2cc(F)ccc21 ZINC000022236467 558470722 /nfs/dbraw/zinc/47/07/22/558470722.db2.gz GPZLGWBHTSKKPY-UHFFFAOYSA-N 0 0 404.466 5.081 40 0 HKABRN Cn1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(=O)c2cc(F)ccc21 ZINC000022236469 558470658 /nfs/dbraw/zinc/47/06/58/558470658.db2.gz UUKIKJAPIUOEIK-UHFFFAOYSA-N 0 0 422.843 5.376 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)c3cn(C)c4ccc(F)cc4c3=O)ccc21 ZINC000022236498 558470700 /nfs/dbraw/zinc/47/07/00/558470700.db2.gz XBKPVJMWEDFYHK-UHFFFAOYSA-N 0 0 413.452 5.058 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1cn(CC)c2ccc(C(F)(F)F)cc2c1=O ZINC000022236731 558470705 /nfs/dbraw/zinc/47/07/05/558470705.db2.gz MPPOSLKGJJADLM-UHFFFAOYSA-N 0 0 402.416 5.163 40 0 HKABRN CCn1cc(C(=O)Nc2ccc(C(C)C)cc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236741 558470664 /nfs/dbraw/zinc/47/06/64/558470664.db2.gz RFTSMIIFUUGDFU-UHFFFAOYSA-N 0 0 402.416 5.416 40 0 HKABRN CCn1cc(C(=O)Nc2cccc3ccccc32)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236744 558470881 /nfs/dbraw/zinc/47/08/81/558470881.db2.gz UXKPKVBXHYBIFC-UHFFFAOYSA-N 0 0 410.395 5.446 40 0 HKABRN CCn1cc(C(=O)Nc2cccc(Cl)c2C)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236769 558470890 /nfs/dbraw/zinc/47/08/90/558470890.db2.gz LTQZGVZJXLTAOZ-UHFFFAOYSA-N 0 0 408.807 5.254 40 0 HKABRN CCn1cc(C(=O)Nc2ccc(Cl)cc2C)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236771 558470950 /nfs/dbraw/zinc/47/09/50/558470950.db2.gz QANMJGJJROGVEN-UHFFFAOYSA-N 0 0 408.807 5.254 40 0 HKABRN CCn1cc(C(=O)Nc2cc(Cl)ccc2C)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236773 558470924 /nfs/dbraw/zinc/47/09/24/558470924.db2.gz JZFDBIUZYFXRNV-UHFFFAOYSA-N 0 0 408.807 5.254 40 0 HKABRN CCn1cc(C(=O)Nc2ccc(C)c(Cl)c2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236775 558470927 /nfs/dbraw/zinc/47/09/27/558470927.db2.gz YYXNSAFHNULSDE-UHFFFAOYSA-N 0 0 408.807 5.254 40 0 HKABRN CCn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236804 558470951 /nfs/dbraw/zinc/47/09/51/558470951.db2.gz OMFPWAJUBKCDFH-UHFFFAOYSA-N 0 0 412.770 5.085 40 0 HKABRN CCn1cc(C(=O)Nc2cccc(SC)c2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236853 558470938 /nfs/dbraw/zinc/47/09/38/558470938.db2.gz WTTCGIRFIWIFIJ-UHFFFAOYSA-N 0 0 406.429 5.014 40 0 HKABRN CCCCc1ccc(NC(=O)c2cn(CC)c3ccc(C(F)(F)F)cc3c2=O)cc1 ZINC000022236952 558470873 /nfs/dbraw/zinc/47/08/73/558470873.db2.gz XAQNFHAPQQDDMK-UHFFFAOYSA-N 0 0 416.443 5.635 40 0 HKABRN CCn1cc(C(=O)Nc2ccccc2SC)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236955 558470935 /nfs/dbraw/zinc/47/09/35/558470935.db2.gz ICKWQWGBVLHHPC-UHFFFAOYSA-N 0 0 406.429 5.014 40 0 HKABRN CCn1cc(C(=O)Nc2c(C)cc(C)cc2C)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236962 558470944 /nfs/dbraw/zinc/47/09/44/558470944.db2.gz NIIRPEGJXABAKE-UHFFFAOYSA-N 0 0 402.416 5.218 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1cn(CC)c2ccc(C(F)(F)F)cc2c1=O ZINC000022236964 558470949 /nfs/dbraw/zinc/47/09/49/558470949.db2.gz SVFDLHFOUACZBG-UHFFFAOYSA-N 0 0 416.443 5.417 40 0 HKABRN CCn1cc(C(=O)Nc2c(C)cccc2C(C)C)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236968 558471066 /nfs/dbraw/zinc/47/10/66/558471066.db2.gz FECXMNQFQBOUJC-UHFFFAOYSA-N 0 0 416.443 5.724 40 0 HKABRN CCn1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022237017 558471038 /nfs/dbraw/zinc/47/10/38/558471038.db2.gz OANTWQIQBUQURW-LBPRGKRZSA-N 0 0 422.834 5.185 40 0 HKABRN CCn1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022237020 558471081 /nfs/dbraw/zinc/47/10/81/558471081.db2.gz OANTWQIQBUQURW-GFCCVEGCSA-N 0 0 422.834 5.185 40 0 HKABRN Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000022237519 558471264 /nfs/dbraw/zinc/47/12/64/558471264.db2.gz XVGZBRLKBGRRHE-UHFFFAOYSA-N 0 0 401.491 5.345 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)c3sc(-c4cccnc4)nc3C)ccc21 ZINC000022237570 558471260 /nfs/dbraw/zinc/47/12/60/558471260.db2.gz AAYJNHFPRZEWNZ-UHFFFAOYSA-N 0 0 412.518 5.894 40 0 HKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)NCc1ccc(Cl)cc1Cl ZINC000022237643 558471192 /nfs/dbraw/zinc/47/11/92/558471192.db2.gz KPDNSCORZVFMLE-UHFFFAOYSA-N 0 0 406.338 5.456 40 0 HKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccccc1Br ZINC000022237714 558471238 /nfs/dbraw/zinc/47/12/38/558471238.db2.gz YSUCXSNDOPPRQI-UHFFFAOYSA-N 0 0 402.317 5.234 40 0 HKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1cccc(Br)c1 ZINC000022237716 558471303 /nfs/dbraw/zinc/47/13/03/558471303.db2.gz MWYHONWCSNTQAW-UHFFFAOYSA-N 0 0 402.317 5.234 40 0 HKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(Br)cc1 ZINC000022237718 558471206 /nfs/dbraw/zinc/47/12/06/558471206.db2.gz YZJXHFYUEFEKJG-UHFFFAOYSA-N 0 0 402.317 5.234 40 0 HKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(Br)cc1F ZINC000022237745 558471294 /nfs/dbraw/zinc/47/12/94/558471294.db2.gz OSIZJSBXLRSFOW-UHFFFAOYSA-N 0 0 420.307 5.373 40 0 HKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000022245325 558471927 /nfs/dbraw/zinc/47/19/27/558471927.db2.gz OPFDAMGYAKWPLA-UHFFFAOYSA-N 0 0 415.518 6.264 40 0 HKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000022245394 558471829 /nfs/dbraw/zinc/47/18/29/558471829.db2.gz AFKWLPREGCILIZ-UHFFFAOYSA-N 0 0 405.567 5.314 40 0 HKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000022245499 558471894 /nfs/dbraw/zinc/47/18/94/558471894.db2.gz BSYJKPYMHWAMKQ-UHFFFAOYSA-N 0 0 415.518 6.264 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1 ZINC000022245508 558471885 /nfs/dbraw/zinc/47/18/85/558471885.db2.gz XXHDWRAKAABXBO-UHFFFAOYSA-N 0 0 423.538 5.429 40 0 HKABRN COc1cc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)c(OC)cc1Cl ZINC000022245523 558471930 /nfs/dbraw/zinc/47/19/30/558471930.db2.gz VBDMDYRNFMPHJO-UHFFFAOYSA-N 0 0 417.918 5.142 40 0 HKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000022245538 558471911 /nfs/dbraw/zinc/47/19/11/558471911.db2.gz UVRVZCYCORUDBU-UHFFFAOYSA-N 0 0 413.546 5.739 40 0 HKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000022245636 558472150 /nfs/dbraw/zinc/47/21/50/558472150.db2.gz ATPDSJGDQDDUSN-UHFFFAOYSA-N 0 0 409.408 5.630 40 0 HKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NCc1ccc(Cl)cc1Cl ZINC000022245699 558472155 /nfs/dbraw/zinc/47/21/55/558472155.db2.gz BSSQYBRNQPROKD-UHFFFAOYSA-N 0 0 410.301 5.571 40 0 HKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccccc1Br ZINC000022245798 558472128 /nfs/dbraw/zinc/47/21/28/558472128.db2.gz SZCKRBFJIZZPPE-UHFFFAOYSA-N 0 0 406.280 5.349 40 0 HKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(Br)cc1F ZINC000022245850 558472099 /nfs/dbraw/zinc/47/20/99/558472099.db2.gz NXXGKOXDAPXUSB-UHFFFAOYSA-N 0 0 424.270 5.488 40 0 HKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000022245957 558472124 /nfs/dbraw/zinc/47/21/24/558472124.db2.gz XCKUPNQVEKROQT-UHFFFAOYSA-N 0 0 409.530 5.429 40 0 HKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000022246060 558472153 /nfs/dbraw/zinc/47/21/53/558472153.db2.gz ZVLAPVIFDIUMBP-UHFFFAOYSA-N 0 0 419.481 6.379 40 0 HKABRN COc1cc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)c(OC)cc1Cl ZINC000022246081 558472133 /nfs/dbraw/zinc/47/21/33/558472133.db2.gz OJIZYLREZBINHS-UHFFFAOYSA-N 0 0 421.881 5.257 40 0 HKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000022246095 558472148 /nfs/dbraw/zinc/47/21/48/558472148.db2.gz NCTAETVXHAFFNF-UHFFFAOYSA-N 0 0 417.509 5.854 40 0 HKABRN CSc1ccc([C@@H](C)NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1 ZINC000022246158 558472143 /nfs/dbraw/zinc/47/21/43/558472143.db2.gz PYOCLDAWHIPNKW-GFCCVEGCSA-N 0 0 401.532 5.547 40 0 HKABRN CSc1ccc([C@H](C)NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1 ZINC000022246163 558472119 /nfs/dbraw/zinc/47/21/19/558472119.db2.gz PYOCLDAWHIPNKW-LBPRGKRZSA-N 0 0 401.532 5.547 40 0 HKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000022246186 558472122 /nfs/dbraw/zinc/47/21/22/558472122.db2.gz PQEWDPWLHKDLTP-UHFFFAOYSA-N 0 0 413.371 5.744 40 0 HKABRN CCCc1nc2ccc(NS(=O)(=O)c3ccc(OCC)c(Cl)c3)cc2s1 ZINC000022255209 558474241 /nfs/dbraw/zinc/47/42/41/558474241.db2.gz IKDDGZWQWHGFQK-UHFFFAOYSA-N 0 0 410.948 5.102 40 0 HKABRN CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCCc2ccccc2)c(C(C)C)c1 ZINC000022257952 558474704 /nfs/dbraw/zinc/47/47/04/558474704.db2.gz FGHDXXHPEALFRM-UHFFFAOYSA-N 0 0 401.616 5.968 40 0 HKABRN O=C(Nc1ccccc1C(F)(F)F)c1cccc(OCc2ccccc2Cl)c1 ZINC000022257995 558474679 /nfs/dbraw/zinc/47/46/79/558474679.db2.gz HINGHJWDYMSPEA-UHFFFAOYSA-N 0 0 405.803 6.190 40 0 HKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258000 558474673 /nfs/dbraw/zinc/47/46/73/558474673.db2.gz PZDTVWVPSMUAHK-UHFFFAOYSA-N 0 0 405.803 6.190 40 0 HKABRN O=C(Nc1ccccc1-c1ccccc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258028 558474651 /nfs/dbraw/zinc/47/46/51/558474651.db2.gz QTVUXMMJFVZYJQ-UHFFFAOYSA-N 0 0 413.904 6.838 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258050 558474685 /nfs/dbraw/zinc/47/46/85/558474685.db2.gz DDIHEJSNPFIHII-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258101 558474719 /nfs/dbraw/zinc/47/47/19/558474719.db2.gz AYGADWUBFQEYSD-UHFFFAOYSA-N 0 0 406.696 6.478 40 0 HKABRN O=C(Nc1ccc(Cl)cc1Cl)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258106 558474682 /nfs/dbraw/zinc/47/46/82/558474682.db2.gz WXFNMGYZWZAJGS-UHFFFAOYSA-N 0 0 406.696 6.478 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258111 558474676 /nfs/dbraw/zinc/47/46/76/558474676.db2.gz XVJXQRHBNQJMCH-UHFFFAOYSA-N 0 0 406.696 6.478 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258116 558474638 /nfs/dbraw/zinc/47/46/38/558474638.db2.gz XMZUAZXCJWFWOC-UHFFFAOYSA-N 0 0 406.696 6.478 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000022258158 558474711 /nfs/dbraw/zinc/47/47/11/558474711.db2.gz IJUJXJOAACDIKV-UHFFFAOYSA-N 0 0 409.869 5.348 40 0 HKABRN O=C(c1cccc(OCc2ccccc2Cl)c1)N1CCC(Cc2ccccc2)CC1 ZINC000022258377 558474648 /nfs/dbraw/zinc/47/46/48/558474648.db2.gz PJAMCPSZSIDQHG-UHFFFAOYSA-N 0 0 419.952 6.014 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258424 558474632 /nfs/dbraw/zinc/47/46/32/558474632.db2.gz WCNXRCBXJPIFFA-UHFFFAOYSA-N 0 0 406.696 6.478 40 0 HKABRN COc1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1Cl ZINC000022258445 558474689 /nfs/dbraw/zinc/47/46/89/558474689.db2.gz PEUVUQMOJPICAH-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN COc1cc(Cl)c(C)cc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258522 558474634 /nfs/dbraw/zinc/47/46/34/558474634.db2.gz AKVJMISZNICFFN-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN O=C(c1cccc(OCc2ccccc2Cl)c1)N1CCN(c2ccccc2F)CC1 ZINC000022258541 558474701 /nfs/dbraw/zinc/47/47/01/558474701.db2.gz CZXBKBOBIHLTMB-UHFFFAOYSA-N 0 0 424.903 5.021 40 0 HKABRN O=C(c1cccc(OCc2ccccc2Cl)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000022258546 558474716 /nfs/dbraw/zinc/47/47/16/558474716.db2.gz BDLMQVCOCSXHOF-UHFFFAOYSA-N 0 0 424.903 5.021 40 0 HKABRN CCCC(=O)Nc1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258558 558474646 /nfs/dbraw/zinc/47/46/46/558474646.db2.gz AQZKLZVCZKKPDC-UHFFFAOYSA-N 0 0 422.912 5.910 40 0 HKABRN O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000022390760 568484669 /nfs/dbraw/zinc/48/46/69/568484669.db2.gz VZTCXRGPHVTKDS-UHFFFAOYSA-N 0 0 400.352 5.490 40 0 HKABRN O=C(Nc1ccccc1N1CCOCC1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000022393108 558486183 /nfs/dbraw/zinc/48/61/83/558486183.db2.gz BRLFJDTUARAUMZ-UHFFFAOYSA-N 0 0 417.292 5.342 40 0 HKABRN Cc1cc(NC(=O)COc2ccc(C3SCCS3)cc2)ccc1Br ZINC000022396337 558486656 /nfs/dbraw/zinc/48/66/56/558486656.db2.gz UJDRNDBXYYGOOM-UHFFFAOYSA-N 0 0 424.385 5.254 40 0 HKABRN Cc1ccc([C@@H](NC(=O)COc2ccc(Br)c(C)c2)c2ccccc2)cc1 ZINC000022508496 558492479 /nfs/dbraw/zinc/49/24/79/558492479.db2.gz OLHHVSNMTRFYQL-QHCPKHFHSA-N 0 0 424.338 5.351 40 0 HKABRN Cc1ccc([C@H](NC(=O)COc2ccc(Br)c(C)c2)c2ccccc2)cc1 ZINC000022508501 558492510 /nfs/dbraw/zinc/49/25/10/558492510.db2.gz OLHHVSNMTRFYQL-HSZRJFAPSA-N 0 0 424.338 5.351 40 0 HKABRN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000022508845 558492495 /nfs/dbraw/zinc/49/24/95/558492495.db2.gz VFMSFGFPVNVXHZ-UHFFFAOYSA-N 0 0 420.512 6.294 40 0 HKABRN CC(C)Oc1ccc(CNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000022509296 534991713 /nfs/dbraw/zinc/99/17/13/534991713.db2.gz DXCSQUYZOVOCRU-UHFFFAOYSA-N 0 0 414.549 5.357 40 0 HKABRN Cc1ccc([C@@H](NC(=O)c2cccc(OCc3ccccc3)c2)c2ccccc2)cc1 ZINC000022510287 558492952 /nfs/dbraw/zinc/49/29/52/558492952.db2.gz HJVOHWZCDIFBSN-MHZLTWQESA-N 0 0 407.513 6.093 40 0 HKABRN Cc1ccc([C@H](NC(=O)c2cccc(OCc3ccccc3)c2)c2ccccc2)cc1 ZINC000022510290 558492983 /nfs/dbraw/zinc/49/29/83/558492983.db2.gz HJVOHWZCDIFBSN-HHHXNRCGSA-N 0 0 407.513 6.093 40 0 HKABRN COc1ccc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OC ZINC000022510476 558492965 /nfs/dbraw/zinc/49/29/65/558492965.db2.gz KBNMPERIROVSAZ-UHFFFAOYSA-N 0 0 405.825 5.107 40 0 HKABRN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000022510505 558492908 /nfs/dbraw/zinc/49/29/08/558492908.db2.gz JENJWIKBFDKIQP-UHFFFAOYSA-N 0 0 411.332 6.199 40 0 HKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000022510593 558492935 /nfs/dbraw/zinc/49/29/35/558492935.db2.gz OLDNIYDFEBNWMG-OAQYLSRUSA-N 0 0 409.913 6.545 40 0 HKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000022510599 558492979 /nfs/dbraw/zinc/49/29/79/558492979.db2.gz OLDNIYDFEBNWMG-NRFANRHFSA-N 0 0 409.913 6.545 40 0 HKABRN COc1ccc(CN(C)C(=O)N2c3ccccc3Sc3ccccc32)cc1OC ZINC000022510889 132474822 /nfs/dbraw/zinc/47/48/22/132474822.db2.gz BWWITKWKPOIILI-UHFFFAOYSA-N 0 0 406.507 5.559 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000022512015 558493090 /nfs/dbraw/zinc/49/30/90/558493090.db2.gz NTVYCDBTZOEEMG-GOSISDBHSA-N 0 0 407.819 6.308 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000022512020 558493153 /nfs/dbraw/zinc/49/31/53/558493153.db2.gz NTVYCDBTZOEEMG-SFHVURJKSA-N 0 0 407.819 6.308 40 0 HKABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000022512030 558493183 /nfs/dbraw/zinc/49/31/83/558493183.db2.gz IFDJSFKQFTXUQO-GOSISDBHSA-N 0 0 409.913 6.464 40 0 HKABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000022512035 558493105 /nfs/dbraw/zinc/49/31/05/558493105.db2.gz IFDJSFKQFTXUQO-SFHVURJKSA-N 0 0 409.913 6.464 40 0 HKABRN CCOC(=O)c1cc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)ccc1Cl ZINC000022512158 558493117 /nfs/dbraw/zinc/49/31/17/558493117.db2.gz NNAKYWPGNQOAFO-HMMYKYKNSA-N 0 0 405.881 5.696 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CCCOc3ccccc3)c2)cc1 ZINC000022513161 558493288 /nfs/dbraw/zinc/49/32/88/558493288.db2.gz DGPHYJHTJOUGLE-UHFFFAOYSA-N 0 0 415.533 6.013 40 0 HKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000022513389 558493366 /nfs/dbraw/zinc/49/33/66/558493366.db2.gz AQPSDGWDZLHBKM-DHUDBDOYSA-N 0 0 423.984 6.604 40 0 HKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000022513393 558493303 /nfs/dbraw/zinc/49/33/03/558493303.db2.gz AQPSDGWDZLHBKM-MHLWUJJFSA-N 0 0 423.984 6.604 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc(C)c3)c2)cc1 ZINC000022514053 558493582 /nfs/dbraw/zinc/49/35/82/558493582.db2.gz YOGGYXGYNKMZAL-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 ZINC000022514254 558493579 /nfs/dbraw/zinc/49/35/79/558493579.db2.gz BVVFJTXVCSJBNG-LOSJGSFVSA-N 0 0 405.538 5.909 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 ZINC000022514259 558493540 /nfs/dbraw/zinc/49/35/40/558493540.db2.gz BVVFJTXVCSJBNG-DQEYMECFSA-N 0 0 405.538 5.909 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 ZINC000022514264 558493567 /nfs/dbraw/zinc/49/35/67/558493567.db2.gz BVVFJTXVCSJBNG-JWQCQUIFSA-N 0 0 405.538 5.909 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 ZINC000022514268 558493510 /nfs/dbraw/zinc/49/35/10/558493510.db2.gz BVVFJTXVCSJBNG-RPBOFIJWSA-N 0 0 405.538 5.909 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000022514298 558493546 /nfs/dbraw/zinc/49/35/46/558493546.db2.gz JGPOAUHTRQNNFM-HOTGVXAUSA-N 0 0 401.572 5.359 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000022514303 558493530 /nfs/dbraw/zinc/49/35/30/558493530.db2.gz JGPOAUHTRQNNFM-JKSUJKDBSA-N 0 0 401.572 5.359 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000022514309 558493571 /nfs/dbraw/zinc/49/35/71/558493571.db2.gz JGPOAUHTRQNNFM-CVEARBPZSA-N 0 0 401.572 5.359 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000022514314 558493586 /nfs/dbraw/zinc/49/35/86/558493586.db2.gz JGPOAUHTRQNNFM-HZPDHXFCSA-N 0 0 401.572 5.359 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000022514696 558493687 /nfs/dbraw/zinc/49/36/87/558493687.db2.gz CVHLJOMAHJFHNM-HXUWFJFHSA-N 0 0 414.549 5.529 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000022514700 132474843 /nfs/dbraw/zinc/47/48/43/132474843.db2.gz CVHLJOMAHJFHNM-FQEVSTJZSA-N 0 0 414.549 5.529 40 0 HKABRN COc1ccc([C@@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1OC ZINC000022514811 558493753 /nfs/dbraw/zinc/49/37/53/558493753.db2.gz YNGAZTDAVAFTJY-GFCCVEGCSA-N 0 0 414.354 5.121 40 0 HKABRN COc1ccc([C@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1OC ZINC000022514815 558493745 /nfs/dbraw/zinc/49/37/45/558493745.db2.gz YNGAZTDAVAFTJY-LBPRGKRZSA-N 0 0 414.354 5.121 40 0 HKABRN O=C(CSCc1ccc(F)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000022515341 558493672 /nfs/dbraw/zinc/49/36/72/558493672.db2.gz NHTVXZYERAPGFA-UHFFFAOYSA-N 0 0 401.890 6.143 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000022515396 558493991 /nfs/dbraw/zinc/49/39/91/558493991.db2.gz JUXQTDQUCFVGBV-JOCHJYFZSA-N 0 0 413.970 5.700 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000022515401 558493937 /nfs/dbraw/zinc/49/39/37/558493937.db2.gz JUXQTDQUCFVGBV-QFIPXVFZSA-N 0 0 413.970 5.700 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)NCCSCc1ccccc1F ZINC000022515602 558493963 /nfs/dbraw/zinc/49/39/63/558493963.db2.gz VQWAPCLKJAHUAO-UHFFFAOYSA-N 0 0 418.386 5.415 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)/C=C/c3ccc(F)cc3)c2)cc1 ZINC000022515872 558493918 /nfs/dbraw/zinc/49/39/18/558493918.db2.gz QCVNMCAAMRUKRZ-CXUHLZMHSA-N 0 0 401.481 6.006 40 0 HKABRN COc1ccc(/C=C(/C(=O)Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 ZINC000022517167 558494101 /nfs/dbraw/zinc/49/41/01/558494101.db2.gz MUSHQUZNSFVWIH-HKOYGPOVSA-N 0 0 412.489 5.001 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)c(Cl)c1 ZINC000022518053 558494057 /nfs/dbraw/zinc/49/40/57/558494057.db2.gz FOOHHCFWVXCVCU-UHFFFAOYSA-N 0 0 409.869 5.348 40 0 HKABRN CCOc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1OCC ZINC000022518277 558494403 /nfs/dbraw/zinc/49/44/03/558494403.db2.gz FDLZNEDPIKSKAY-MHZLTWQESA-N 0 0 417.549 5.631 40 0 HKABRN CCOc1ccc(CCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1OCC ZINC000022518285 558494409 /nfs/dbraw/zinc/49/44/09/558494409.db2.gz FDLZNEDPIKSKAY-HHHXNRCGSA-N 0 0 417.549 5.631 40 0 HKABRN CC(C)C[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccccc1 ZINC000022518648 558494317 /nfs/dbraw/zinc/49/43/17/558494317.db2.gz BSJBFJOENZSAHH-RUZDIDTESA-N 0 0 419.590 6.375 40 0 HKABRN CC(C)C[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccccc1 ZINC000022518653 558494358 /nfs/dbraw/zinc/49/43/58/558494358.db2.gz BSJBFJOENZSAHH-VWLOTQADSA-N 0 0 419.590 6.375 40 0 HKABRN Cc1ccccc1[C@@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccccc1 ZINC000022519290 558494550 /nfs/dbraw/zinc/49/45/50/558494550.db2.gz CIIZFPSEEMBPHT-MHZLTWQESA-N 0 0 407.513 6.093 40 0 HKABRN Cc1ccccc1[C@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccccc1 ZINC000022519295 558494576 /nfs/dbraw/zinc/49/45/76/558494576.db2.gz CIIZFPSEEMBPHT-HHHXNRCGSA-N 0 0 407.513 6.093 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000022520540 558494518 /nfs/dbraw/zinc/49/45/18/558494518.db2.gz BJMIIVYMZZOMEF-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN O=C(Nc1ccc(CSc2ccccc2)cc1)c1cccc(CN2CCOCC2)c1 ZINC000022521411 558494727 /nfs/dbraw/zinc/49/47/27/558494727.db2.gz CYZYERFXLVORRD-UHFFFAOYSA-N 0 0 418.562 5.063 40 0 HKABRN COc1ccc(/C=C(/C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)c2ccccc2)cc1 ZINC000022522165 558494967 /nfs/dbraw/zinc/49/49/67/558494967.db2.gz IXULOWCVKRQFBK-RPNTZMPASA-N 0 0 417.505 5.130 40 0 HKABRN COc1ccc(/C=C(/C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c2ccccc2)cc1 ZINC000022522170 558494977 /nfs/dbraw/zinc/49/49/77/558494977.db2.gz IXULOWCVKRQFBK-OZHVRZOASA-N 0 0 417.505 5.130 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1OC ZINC000022522387 558494944 /nfs/dbraw/zinc/49/49/44/558494944.db2.gz CODCREQCGNAJQZ-UHFFFAOYSA-N 0 0 409.507 5.127 40 0 HKABRN Cc1ccc(CSCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000022522785 558494939 /nfs/dbraw/zinc/49/49/39/558494939.db2.gz YCOZZKWPYAMEBJ-UHFFFAOYSA-N 0 0 416.590 5.221 40 0 HKABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000022522793 558495005 /nfs/dbraw/zinc/49/50/05/558495005.db2.gz FEGPYMFAAGOZQF-CQSZACIVSA-N 0 0 414.288 5.630 40 0 HKABRN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000022522797 558494952 /nfs/dbraw/zinc/49/49/52/558494952.db2.gz FEGPYMFAAGOZQF-AWEZNQCLSA-N 0 0 414.288 5.630 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c(Cl)c1 ZINC000022523024 558495232 /nfs/dbraw/zinc/49/52/32/558495232.db2.gz HXIAORYPBQQPEN-HMMYKYKNSA-N 0 0 405.881 5.696 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000022523552 558495278 /nfs/dbraw/zinc/49/52/78/558495278.db2.gz ISNSOCFQXUWBNE-UHFFFAOYSA-N 0 0 412.338 5.350 40 0 HKABRN COc1ccc(SCC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000022523993 558495148 /nfs/dbraw/zinc/49/51/48/558495148.db2.gz MXPLFNDWKYLIQP-UHFFFAOYSA-N 0 0 409.576 6.027 40 0 HKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000022524040 558495259 /nfs/dbraw/zinc/49/52/59/558495259.db2.gz UVSMCIIUPFEJAZ-IBGZPJMESA-N 0 0 416.521 5.146 40 0 HKABRN CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000022524045 558495503 /nfs/dbraw/zinc/49/55/03/558495503.db2.gz UVSMCIIUPFEJAZ-LJQANCHMSA-N 0 0 416.521 5.146 40 0 HKABRN O=C(NCCSC1CCCCC1)c1ccc(OCCSc2ccccc2)cc1 ZINC000022524566 558495485 /nfs/dbraw/zinc/49/54/85/558495485.db2.gz VFXSCEYZIHAEMM-UHFFFAOYSA-N 0 0 415.624 5.653 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c(C)c1 ZINC000022526030 558495879 /nfs/dbraw/zinc/49/58/79/558495879.db2.gz NLNGVHKIIAOTAA-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCOC(=O)c1cc(NC(=O)CC(c2ccccc2)c2ccccc2)ccc1Cl ZINC000022527462 558496080 /nfs/dbraw/zinc/49/60/80/558496080.db2.gz YUZUOZWTOIJXTF-UHFFFAOYSA-N 0 0 407.897 5.677 40 0 HKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000022527669 558496101 /nfs/dbraw/zinc/49/61/01/558496101.db2.gz YEPOQBXABODXHF-OAQYLSRUSA-N 0 0 411.954 6.428 40 0 HKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000022527675 558496086 /nfs/dbraw/zinc/49/60/86/558496086.db2.gz YEPOQBXABODXHF-NRFANRHFSA-N 0 0 411.954 6.428 40 0 HKABRN O=C(Nc1c(Cl)cccc1Cl)c1ccc(OCCSc2ccccc2)cc1 ZINC000022527765 558496091 /nfs/dbraw/zinc/49/60/91/558496091.db2.gz SZWFXJHYDYESNF-UHFFFAOYSA-N 0 0 418.345 6.417 40 0 HKABRN COc1ccc(CCC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1OC ZINC000022528384 558496359 /nfs/dbraw/zinc/49/63/59/558496359.db2.gz OZESPODMNKCWFI-UHFFFAOYSA-N 0 0 421.562 5.876 40 0 HKABRN Cc1cc(I)ccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000022528548 558496381 /nfs/dbraw/zinc/49/63/81/558496381.db2.gz GUPQSBGSXWILIR-AWEZNQCLSA-N 0 0 423.294 5.129 40 0 HKABRN Cc1cc(I)ccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000022528553 558496370 /nfs/dbraw/zinc/49/63/70/558496370.db2.gz GUPQSBGSXWILIR-CQSZACIVSA-N 0 0 423.294 5.129 40 0 HKABRN CCOC(=O)c1cc(NC(=O)CSCc2c(F)cccc2Cl)ccc1Cl ZINC000022528758 558496233 /nfs/dbraw/zinc/49/62/33/558496233.db2.gz ORMVCHBWTNMWJI-UHFFFAOYSA-N 0 0 416.301 5.181 40 0 HKABRN C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(F)cc1 ZINC000022528815 558496299 /nfs/dbraw/zinc/49/62/99/558496299.db2.gz MBIHFBVFEKJOLN-CYBMUJFWSA-N 0 0 408.311 5.142 40 0 HKABRN C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(F)cc1 ZINC000022528822 558496564 /nfs/dbraw/zinc/49/65/64/558496564.db2.gz MBIHFBVFEKJOLN-ZDUSSCGKSA-N 0 0 408.311 5.142 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CSc3ccccc3)c2)cc1 ZINC000022528829 558496584 /nfs/dbraw/zinc/49/65/84/558496584.db2.gz CLTITUBARAYDAF-UHFFFAOYSA-N 0 0 418.562 5.967 40 0 HKABRN Cn1c(COc2ccccc2Cl)nnc1SCc1ccc(Cl)cc1Cl ZINC000022529061 568486738 /nfs/dbraw/zinc/48/67/38/568486738.db2.gz OABSYFHHIGMNBE-UHFFFAOYSA-N 0 0 414.745 5.647 40 0 HKABRN Cc1ccc(C)c(OCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000022529635 558496579 /nfs/dbraw/zinc/49/65/79/558496579.db2.gz CRRNHIFEGPCFFC-UHFFFAOYSA-N 0 0 415.533 5.849 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2cccc3ccccc32)cc1OCC ZINC000022530329 558496695 /nfs/dbraw/zinc/49/66/95/558496695.db2.gz UTFLGBYZIYAUGK-XMSQKQJNSA-N 0 0 421.537 5.672 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cccc3ccccc32)cc1OCC ZINC000022530333 558496732 /nfs/dbraw/zinc/49/67/32/558496732.db2.gz UTFLGBYZIYAUGK-PGRDOPGGSA-N 0 0 421.537 5.672 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2cccc3ccccc32)cc1OCC ZINC000022530337 558496755 /nfs/dbraw/zinc/49/67/55/558496755.db2.gz UTFLGBYZIYAUGK-GCJKJVERSA-N 0 0 421.537 5.672 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2cccc3ccccc32)cc1OCC ZINC000022530341 558496835 /nfs/dbraw/zinc/49/68/35/558496835.db2.gz UTFLGBYZIYAUGK-AVRDEDQJSA-N 0 0 421.537 5.672 40 0 HKABRN COc1ccc(SCC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1OC ZINC000022530613 558496688 /nfs/dbraw/zinc/49/66/88/558496688.db2.gz KQBVNMLOISTFGA-DEOSSOPVSA-N 0 0 407.535 5.010 40 0 HKABRN COc1ccc(SCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1OC ZINC000022530618 558496744 /nfs/dbraw/zinc/49/67/44/558496744.db2.gz KQBVNMLOISTFGA-XMMPIXPASA-N 0 0 407.535 5.010 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC000022531276 558497105 /nfs/dbraw/zinc/49/71/05/558497105.db2.gz UGWNYGIWJDZJGW-HXUWFJFHSA-N 0 0 407.963 5.323 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC000022531280 558497112 /nfs/dbraw/zinc/49/71/12/558497112.db2.gz UGWNYGIWJDZJGW-FQEVSTJZSA-N 0 0 407.963 5.323 40 0 HKABRN COc1ccc([C@@H](C)NC(=O)N2c3ccccc3Sc3ccccc32)cc1OC ZINC000022531296 558497013 /nfs/dbraw/zinc/49/70/13/558497013.db2.gz UHAMBCOFCMGJLR-OAHLLOKOSA-N 0 0 406.507 5.777 40 0 HKABRN COc1ccc([C@H](C)NC(=O)N2c3ccccc3Sc3ccccc32)cc1OC ZINC000022531301 132474900 /nfs/dbraw/zinc/47/49/00/132474900.db2.gz UHAMBCOFCMGJLR-HNNXBMFYSA-N 0 0 406.507 5.777 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000022531486 558497074 /nfs/dbraw/zinc/49/70/74/558497074.db2.gz SPOWYILEOBVPFI-JOCHJYFZSA-N 0 0 404.510 5.164 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000022531490 558497258 /nfs/dbraw/zinc/49/72/58/558497258.db2.gz SPOWYILEOBVPFI-QFIPXVFZSA-N 0 0 404.510 5.164 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000022532550 558497247 /nfs/dbraw/zinc/49/72/47/558497247.db2.gz UQUDYXKFBLBAGZ-LJQANCHMSA-N 0 0 416.370 5.209 40 0 HKABRN COc1ccc([C@H](CC(C)C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000022532554 558497222 /nfs/dbraw/zinc/49/72/22/558497222.db2.gz UQUDYXKFBLBAGZ-IBGZPJMESA-N 0 0 416.370 5.209 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 ZINC000022532652 558497215 /nfs/dbraw/zinc/49/72/15/558497215.db2.gz UYCSYSVXXKYSSF-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CC[C@@H](NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccc(OC)cc1 ZINC000022532807 558497502 /nfs/dbraw/zinc/49/75/02/558497502.db2.gz YDNLTCFQZVLYQO-XMMPIXPASA-N 0 0 400.522 5.139 40 0 HKABRN CC[C@H](NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccc(OC)cc1 ZINC000022532814 558497454 /nfs/dbraw/zinc/49/74/54/558497454.db2.gz YDNLTCFQZVLYQO-DEOSSOPVSA-N 0 0 400.522 5.139 40 0 HKABRN CC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(C)cc1 ZINC000022532924 558497493 /nfs/dbraw/zinc/49/74/93/558497493.db2.gz YAMWRTWQVFPYED-LJQANCHMSA-N 0 0 418.375 5.701 40 0 HKABRN CC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(C)cc1 ZINC000022532928 558497382 /nfs/dbraw/zinc/49/73/82/558497382.db2.gz YAMWRTWQVFPYED-IBGZPJMESA-N 0 0 418.375 5.701 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000022533141 132474907 /nfs/dbraw/zinc/47/49/07/132474907.db2.gz XDMOLGKYCSOXRF-UHFFFAOYSA-N 0 0 414.505 5.068 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)cc1 ZINC000022533658 558497653 /nfs/dbraw/zinc/49/76/53/558497653.db2.gz FYPDXYHNQSSAPF-VWBBVOOFSA-N 0 0 401.506 5.512 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)cc1 ZINC000022533664 558497647 /nfs/dbraw/zinc/49/76/47/558497647.db2.gz FYPDXYHNQSSAPF-YSRPOPIVSA-N 0 0 401.506 5.512 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000022534070 558497676 /nfs/dbraw/zinc/49/76/76/558497676.db2.gz HILGGWWDSVAUIK-HXUWFJFHSA-N 0 0 413.995 7.001 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000022534079 558497692 /nfs/dbraw/zinc/49/76/92/558497692.db2.gz HILGGWWDSVAUIK-FQEVSTJZSA-N 0 0 413.995 7.001 40 0 HKABRN CCOc1ccc(CCC(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1OCC ZINC000022535223 558497957 /nfs/dbraw/zinc/49/79/57/558497957.db2.gz BRARSKDOZFJHQE-QFIPXVFZSA-N 0 0 413.558 5.329 40 0 HKABRN CCOc1ccc(CCC(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1OCC ZINC000022535228 558497991 /nfs/dbraw/zinc/49/79/91/558497991.db2.gz BRARSKDOZFJHQE-JOCHJYFZSA-N 0 0 413.558 5.329 40 0 HKABRN Cc1cc(C)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C ZINC000022540708 558498956 /nfs/dbraw/zinc/49/89/56/558498956.db2.gz YYPGLDJKAXRLGM-CYBMUJFWSA-N 0 0 412.839 5.100 40 0 HKABRN Cc1cc(C)c([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C ZINC000022540712 558499026 /nfs/dbraw/zinc/49/90/26/558499026.db2.gz YYPGLDJKAXRLGM-ZDUSSCGKSA-N 0 0 412.839 5.100 40 0 HKABRN Cc1cc(C)c([C@@H](C)NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C ZINC000022540780 558499012 /nfs/dbraw/zinc/49/90/12/558499012.db2.gz MCZGJHJVGZVWBX-HXUWFJFHSA-N 0 0 416.521 5.007 40 0 HKABRN Cc1cc(C)c([C@H](C)NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C ZINC000022540784 558499043 /nfs/dbraw/zinc/49/90/43/558499043.db2.gz MCZGJHJVGZVWBX-FQEVSTJZSA-N 0 0 416.521 5.007 40 0 HKABRN O=c1[nH]c(N2CCc3ccccc32)nc2nccc(-c3ccc(-c4ccccc4)cc3)c12 ZINC000022606805 558500579 /nfs/dbraw/zinc/50/05/79/558500579.db2.gz LXIQOFZFYSTXMY-UHFFFAOYSA-N 0 0 416.484 5.346 40 0 HKABRN Cc1nn2c(nccc2-c2ccc(OC(=O)c3ccccc3)cc2)c1-c1ccccc1 ZINC000022607306 558500923 /nfs/dbraw/zinc/50/09/23/558500923.db2.gz YUFMELRKQWVWOP-UHFFFAOYSA-N 0 0 405.457 5.591 40 0 HKABRN O=C(CSCc1ccc(Br)cc1)Nc1ccccc1Br ZINC000022679399 568497325 /nfs/dbraw/zinc/49/73/25/568497325.db2.gz ATEXIULXCBBNIO-UHFFFAOYSA-N 0 0 415.150 5.084 40 0 HKABRN O=C(CSCc1ccccc1Br)Nc1ccccc1Br ZINC000022700247 568498936 /nfs/dbraw/zinc/49/89/36/568498936.db2.gz IHDGFANVDRCJGV-UHFFFAOYSA-N 0 0 415.150 5.084 40 0 HKABRN O=C(CSCc1cccc(Br)c1)Nc1ccccc1Br ZINC000022700839 568498973 /nfs/dbraw/zinc/49/89/73/568498973.db2.gz ZNDNGXYVPBKUMI-UHFFFAOYSA-N 0 0 415.150 5.084 40 0 HKABRN CSc1ccccc1NC(=O)COc1ccc2ccccc2c1Br ZINC000022706073 558505940 /nfs/dbraw/zinc/50/59/40/558505940.db2.gz SZMLFEKAAFGJII-UHFFFAOYSA-N 0 0 402.313 5.342 40 0 HKABRN N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1ccccc1Cl ZINC000022748003 569349785 /nfs/dbraw/zinc/34/97/85/569349785.db2.gz SJKQGYJBJCXADJ-LDADJPATSA-N 0 0 406.844 5.604 40 0 HKABRN O=C(CCc1nc(-c2ccccc2)no1)Nc1ccccc1Sc1ccccc1 ZINC000022839797 558515972 /nfs/dbraw/zinc/51/59/72/558515972.db2.gz HNXXAUWUYXGPIY-UHFFFAOYSA-N 0 0 401.491 5.459 40 0 HKABRN O=C(CCc1nc(-c2cccs2)no1)Nc1ccccc1Sc1ccccc1 ZINC000022839839 558516104 /nfs/dbraw/zinc/51/61/04/558516104.db2.gz NMCCKFSBGSRXNE-UHFFFAOYSA-N 0 0 407.520 5.521 40 0 HKABRN O=C(CSCc1ccc(Br)cc1)Nc1c(Cl)cccc1Cl ZINC000022842197 568500078 /nfs/dbraw/zinc/50/00/78/568500078.db2.gz OBWYBHVMLGZJRB-UHFFFAOYSA-N 0 0 405.144 5.628 40 0 HKABRN Cc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000022852384 569326940 /nfs/dbraw/zinc/32/69/40/569326940.db2.gz RWUUYEFLSSWUDM-BXWFABGCSA-N 0 0 422.554 5.132 40 0 HKABRN CCc1ccc(CCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022914117 569349805 /nfs/dbraw/zinc/34/98/05/569349805.db2.gz BTVHFGUQXXTKRH-UHFFFAOYSA-N 0 0 412.577 5.115 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1Br ZINC000022920507 558522678 /nfs/dbraw/zinc/52/26/78/558522678.db2.gz AZTGCLXHHFTTHW-UHFFFAOYSA-N 0 0 405.144 5.628 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(CN2CCCC2=O)cc1 ZINC000023010603 558530117 /nfs/dbraw/zinc/53/01/17/558530117.db2.gz FXTFXCBFYKPOCN-UHFFFAOYSA-N 0 0 420.896 5.507 40 0 HKABRN CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC ZINC000023101165 569349797 /nfs/dbraw/zinc/34/97/97/569349797.db2.gz ZEFJAJOEVVPILO-LFIBNONCSA-N 0 0 414.889 5.082 40 0 HKABRN CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3Br)n2)cc1 ZINC000023390572 558556448 /nfs/dbraw/zinc/55/64/48/558556448.db2.gz BDKUNWIROCMRMV-UHFFFAOYSA-N 0 0 414.303 5.194 40 0 HKABRN Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000023477220 568509702 /nfs/dbraw/zinc/50/97/02/568509702.db2.gz LJJCHBVTWGAIJH-MHZLTWQESA-N 0 0 423.560 5.218 40 0 HKABRN Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000023477221 568509696 /nfs/dbraw/zinc/50/96/96/568509696.db2.gz LJJCHBVTWGAIJH-HHHXNRCGSA-N 0 0 423.560 5.218 40 0 HKABRN CCOc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccncc2)cc1 ZINC000023588899 568509907 /nfs/dbraw/zinc/50/99/07/568509907.db2.gz LZXPDWKMMNOUQG-UHFFFAOYSA-N 0 0 402.523 5.063 40 0 HKABRN CC(C)c1ccc(-c2noc(CCC(=O)N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000023681203 558567216 /nfs/dbraw/zinc/56/72/16/558567216.db2.gz RJASCRPQYQCMCX-UHFFFAOYSA-N 0 0 417.553 5.274 40 0 HKABRN O=C(COc1cccc2ccccc21)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000024030878 569349846 /nfs/dbraw/zinc/34/98/46/569349846.db2.gz JWEIKBZFLJNUSP-UHFFFAOYSA-N 0 0 402.475 5.171 40 0 HKABRN CC(C)OC(=O)c1ccc(COC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000024522312 569024947 /nfs/dbraw/zinc/02/49/47/569024947.db2.gz PLPZMXQAKGKEQP-UHFFFAOYSA-N 0 0 402.446 5.233 40 0 HKABRN Cc1ccc(C(=O)COC(=O)c2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1C ZINC000024522608 568511637 /nfs/dbraw/zinc/51/16/37/568511637.db2.gz DSXPVJZSLDKJOV-UHFFFAOYSA-N 0 0 412.445 5.060 40 0 HKABRN COc1ccc(/C=C/c2nc3ccccc3nc2OCc2ccccc2Cl)cc1 ZINC000024522660 569024913 /nfs/dbraw/zinc/02/49/13/569024913.db2.gz BWXMKHJZNCYUPO-NTCAYCPXSA-N 0 0 402.881 6.041 40 0 HKABRN Brc1ccc(COc2ccccc2/C=C/c2ccc3ccccc3n2)cc1 ZINC000024522671 569024911 /nfs/dbraw/zinc/02/49/11/569024911.db2.gz CNKKCEAAGMQVOH-FOWTUZBSSA-N 0 0 416.318 6.747 40 0 HKABRN CCOC(=O)c1c(C)oc2c1c1c(c3ccccc23)OCN(Cc2ccccc2)C1 ZINC000025143063 560735023 /nfs/dbraw/zinc/73/50/23/560735023.db2.gz NABXGJIOQLSHMT-UHFFFAOYSA-N 0 0 401.462 5.423 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000025377741 568522455 /nfs/dbraw/zinc/52/24/55/568522455.db2.gz OQIZCOCKDWLVBE-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN COc1ccc(C23C[C@H]4C[C@H](CC(C(=O)N(C)Cc5cccc(OC)c5)(C4)C2)C3)cc1 ZINC000025494109 523870845 /nfs/dbraw/zinc/87/08/45/523870845.db2.gz DFRPFAIIEWIRAF-FTRDYKAISA-N 0 0 419.565 5.200 40 0 HKABRN COc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N3[C@@H]2[C@@H]3c2ccccc2)cc1 ZINC000025504098 568526964 /nfs/dbraw/zinc/52/69/64/568526964.db2.gz MLHWUXUTDHHXKI-UTTOWIBESA-N 0 0 419.322 5.385 40 0 HKABRN COc1ccccc1[C@H]1N=C(c2ccc(Br)cc2)[C@@H]2[C@@H](c3ccccc3)N21 ZINC000025504206 568526925 /nfs/dbraw/zinc/52/69/25/568526925.db2.gz IPKXJAZVJRQVSG-FOMDFCNTSA-N 0 0 419.322 5.385 40 0 HKABRN COc1ccccc1[C@H]1N=C(c2ccc(Br)cc2)[C@H]2[C@@H](c3ccccc3)N21 ZINC000025504214 568526938 /nfs/dbraw/zinc/52/69/38/568526938.db2.gz IPKXJAZVJRQVSG-USDJYLPVSA-N 0 0 419.322 5.385 40 0 HKABRN CC1(C)CC[C@@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000025549432 568528720 /nfs/dbraw/zinc/52/87/20/568528720.db2.gz LIIFBMGUDSHTOU-IGGZLDOOSA-N 0 0 424.713 8.377 40 0 HKABRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000025549437 568528860 /nfs/dbraw/zinc/52/88/60/568528860.db2.gz LIIFBMGUDSHTOU-RKYAPJIDSA-N 0 0 424.713 8.377 40 0 HKABRN 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[C@@]2(O)C1 ZINC000025551086 568528840 /nfs/dbraw/zinc/52/88/40/568528840.db2.gz ZHNJOTFSBYQPKP-RNLUFOAASA-N 0 0 418.706 7.238 40 0 HKABRN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000025552416 568528833 /nfs/dbraw/zinc/52/88/33/568528833.db2.gz ARYTXMNEANMLMU-FAYQQKCYSA-N 0 0 402.707 7.715 40 0 HKABRN COc1ccc([C@H]2N=C(c3ccc(Cl)cc3)[C@@H]3[C@@H](c4ccccc4)N32)cc1OC ZINC000025586352 568527883 /nfs/dbraw/zinc/52/78/83/568527883.db2.gz NFGMDTLOCXECTL-DMCRHAFWSA-N 0 0 404.897 5.284 40 0 HKABRN COc1ccc([C@H]2N=C(c3ccc(Cl)cc3)[C@H]3[C@@H](c4ccccc4)N32)cc1OC ZINC000025586365 568527860 /nfs/dbraw/zinc/52/78/60/568527860.db2.gz NFGMDTLOCXECTL-XECNEKFKSA-N 0 0 404.897 5.284 40 0 HKABRN Cc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N3[C@@H]2[C@@H]3c2ccccc2)cc1 ZINC000025586393 568528479 /nfs/dbraw/zinc/52/84/79/568528479.db2.gz HERMCSUPISYYCQ-UTTOWIBESA-N 0 0 403.323 5.685 40 0 HKABRN CC1(C)Cc2cc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)ccc2O1 ZINC000025767152 568535126 /nfs/dbraw/zinc/53/51/26/568535126.db2.gz PIHCAFQCRQZTCD-UHFFFAOYSA-N 0 0 419.565 5.373 40 0 HKABRN O=C(CSc1nc(=O)c2ccsc2[nH]1)N1c2ccccc2Sc2ccccc21 ZINC000026116046 569350003 /nfs/dbraw/zinc/35/00/03/569350003.db2.gz QUHWFWXYYUWIOO-UHFFFAOYSA-N 0 0 423.544 5.319 40 0 HKABRN Cc1ccc(-n2nc3ccc(NC(=O)c4sc5ccccc5c4Cl)cc3n2)cc1 ZINC000026124029 558655933 /nfs/dbraw/zinc/65/59/33/558655933.db2.gz CBPABQVISUCISR-UHFFFAOYSA-N 0 0 418.909 5.849 40 0 HKABRN Cc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3n2)cc1 ZINC000026124039 558655921 /nfs/dbraw/zinc/65/59/21/558655921.db2.gz POWOBLVBVCRWQX-UHFFFAOYSA-N 0 0 414.509 5.044 40 0 HKABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000026124248 558655910 /nfs/dbraw/zinc/65/59/10/558655910.db2.gz DKMOHGBCKNSPRV-UHFFFAOYSA-N 0 0 420.900 5.017 40 0 HKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(C(C)C)cc1 ZINC000026124273 558655923 /nfs/dbraw/zinc/65/59/23/558655923.db2.gz PDJMIKHSPAQCQQ-UHFFFAOYSA-N 0 0 404.901 5.758 40 0 HKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000026124280 558655926 /nfs/dbraw/zinc/65/59/26/558655926.db2.gz MDOPOTHEYBMJQS-UHFFFAOYSA-N 0 0 418.928 5.932 40 0 HKABRN CCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c1 ZINC000026124386 558655917 /nfs/dbraw/zinc/65/59/17/558655917.db2.gz UDVUFERFJUHMMK-UHFFFAOYSA-N 0 0 406.873 5.033 40 0 HKABRN CCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1 ZINC000026124434 558655893 /nfs/dbraw/zinc/65/58/93/558655893.db2.gz CLPPQDUXUGHKQP-UHFFFAOYSA-N 0 0 420.900 5.423 40 0 HKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000026124441 558655932 /nfs/dbraw/zinc/65/59/32/558655932.db2.gz DOEAUEHOHOONBE-UHFFFAOYSA-N 0 0 420.900 5.422 40 0 HKABRN CCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c1 ZINC000026124457 558655889 /nfs/dbraw/zinc/65/58/89/558655889.db2.gz LYSJMXRNAOQBPH-UHFFFAOYSA-N 0 0 420.900 5.423 40 0 HKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccc(OC(C)C)c1 ZINC000026124464 558655912 /nfs/dbraw/zinc/65/59/12/558655912.db2.gz KMTGVLRADQRQHX-UHFFFAOYSA-N 0 0 420.900 5.422 40 0 HKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccc2ccccc21 ZINC000026124520 558655938 /nfs/dbraw/zinc/65/59/38/558655938.db2.gz QOAWHLKJPPHETM-UHFFFAOYSA-N 0 0 412.880 5.788 40 0 HKABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000026124533 558655935 /nfs/dbraw/zinc/65/59/35/558655935.db2.gz STPRFAVLQJOUFW-NYYWCZLTSA-N 0 0 423.303 5.688 40 0 HKABRN COc1ccc(/C=C/C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1 ZINC000026124543 558655919 /nfs/dbraw/zinc/65/59/19/558655919.db2.gz MVFUUSYECMDZAC-LFYBBSHMSA-N 0 0 418.884 5.043 40 0 HKABRN Cc1cccc(OCC(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c1C ZINC000026124607 558655891 /nfs/dbraw/zinc/65/58/91/558655891.db2.gz HPSMOVBJPZWFIT-UHFFFAOYSA-N 0 0 420.900 5.017 40 0 HKABRN Cc1ccc(OCC(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c(C)c1 ZINC000026124612 558655887 /nfs/dbraw/zinc/65/58/87/558655887.db2.gz ISIQDJFNJIMKIQ-UHFFFAOYSA-N 0 0 420.900 5.017 40 0 HKABRN COc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)cc4)cc3n2)cc1 ZINC000026124696 558655915 /nfs/dbraw/zinc/65/59/15/558655915.db2.gz NWIWHTXZRXALOX-LFYBBSHMSA-N 0 0 418.884 5.043 40 0 HKABRN O=C(CCc1nc(-c2ccccc2)no1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000026364759 558659700 /nfs/dbraw/zinc/65/97/00/558659700.db2.gz HNSVXHLOMBBRCF-UHFFFAOYSA-N 0 0 419.868 5.754 40 0 HKABRN CCN(Cc1ccccc1)[C@H](c1nnnn1C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000026438809 568548484 /nfs/dbraw/zinc/54/84/84/568548484.db2.gz CDJFIQCEUPRUOM-IBGZPJMESA-N 0 0 417.479 5.058 40 0 HKABRN CCN(Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000026438813 568548570 /nfs/dbraw/zinc/54/85/70/568548570.db2.gz CDJFIQCEUPRUOM-LJQANCHMSA-N 0 0 417.479 5.058 40 0 HKABRN Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=C2\N=C3CCCCCN3C2=O)cc1 ZINC000026441910 569031812 /nfs/dbraw/zinc/03/18/12/569031812.db2.gz UDTQWVJEPZCKBV-QJOMJCCJSA-N 0 0 424.500 5.523 40 0 HKABRN Cc1ccc(N(CC(=O)c2ccc(C3CCCCC3)cc2)C2=NCCCS2)cc1 ZINC000026442120 569031849 /nfs/dbraw/zinc/03/18/49/569031849.db2.gz LONCHPVXUFDIPG-UHFFFAOYSA-N 0 0 406.595 6.225 40 0 HKABRN Cc1ccccc1N(CC(=O)c1ccc(Oc2ccccc2)cc1)C1=NCCCS1 ZINC000026442278 569031841 /nfs/dbraw/zinc/03/18/41/569031841.db2.gz LVCOGYQWUJHNBM-UHFFFAOYSA-N 0 0 416.546 5.970 40 0 HKABRN Clc1ccc(Oc2ccc(I)c(Br)c2)cc1 ZINC000026508298 569292272 /nfs/dbraw/zinc/29/22/72/569292272.db2.gz JCQKXJOFCRXJNU-UHFFFAOYSA-N 0 0 409.448 5.499 40 0 HKABRN Cc1ccc(N(C)C(=O)Oc2cccc(OC(=O)N(C)c3ccc(C)cc3)c2)cc1 ZINC000026571275 558663409 /nfs/dbraw/zinc/66/34/09/558663409.db2.gz HQGMJCMXWJONON-UHFFFAOYSA-N 0 0 404.466 5.574 40 0 HKABRN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccccc1Cl ZINC000026593425 569041286 /nfs/dbraw/zinc/04/12/86/569041286.db2.gz VSDKXHCNBSNFFW-YVLHZVERSA-N 0 0 405.928 5.647 40 0 HKABRN COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000026675974 558664201 /nfs/dbraw/zinc/66/42/01/558664201.db2.gz KDVXVVWWCQAKPJ-SXGWCWSVSA-N 0 0 405.928 5.565 40 0 HKABRN Cc1ccc(OCCCn2cc(C=C3SC(=S)NC3=O)c3ccccc32)cc1 ZINC000026712650 569053402 /nfs/dbraw/zinc/05/34/02/569053402.db2.gz KDGJNQLETSOPEJ-MOSHPQCFSA-N 0 0 408.548 5.748 40 0 HKABRN O=C(CSCc1ccccc1Cl)Nc1nnc(SCc2ccccc2)s1 ZINC000026767922 558664777 /nfs/dbraw/zinc/66/47/77/558664777.db2.gz ZRZPQKSJURUBLF-UHFFFAOYSA-N 0 0 422.000 5.356 40 0 HKABRN CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000026779877 568831300 /nfs/dbraw/zinc/83/13/00/568831300.db2.gz DKKBUWCHKDXRGX-UHFFFAOYSA-N 0 0 422.613 7.148 40 0 HKABRN CN(Cc1ccccc1)C(=O)Nc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000026780060 569047882 /nfs/dbraw/zinc/04/78/82/569047882.db2.gz ZIZYDQJSTSVWMR-UHFFFAOYSA-N 0 0 400.457 5.342 40 0 HKABRN O=C(Nc1cn(-c2ccccc2)nc1-c1ccccc1)OCc1ccccc1Cl ZINC000026780067 568831270 /nfs/dbraw/zinc/83/12/70/568831270.db2.gz XVSNALUOCZERLO-UHFFFAOYSA-N 0 0 403.869 5.941 40 0 HKABRN CC(C)CCCCNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000026780138 568831350 /nfs/dbraw/zinc/83/13/50/568831350.db2.gz PPHAKRXBTCANSS-UHFFFAOYSA-N 0 0 422.572 7.125 40 0 HKABRN Cc1cc(NC(=O)c2cc(-c3ccsc3)nc3ccccc32)n(-c2ccccc2)n1 ZINC000026780151 568831297 /nfs/dbraw/zinc/83/12/97/568831297.db2.gz LFCLAIJDASNCCI-UHFFFAOYSA-N 0 0 410.502 5.710 40 0 HKABRN O=C(CC12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)N(Cc1ccc(F)cc1)C1CC1 ZINC000026791116 568554945 /nfs/dbraw/zinc/55/49/45/568554945.db2.gz SACNOZXBSYBVBL-RGMRCXJASA-N 0 0 420.366 5.441 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1 ZINC000026892649 558666516 /nfs/dbraw/zinc/66/65/16/558666516.db2.gz KHKDIUPVDIEHAH-KXLSUQFWSA-N 0 0 414.586 5.896 40 0 in-man HKABRN COc1ccc([C@H]2CC(=O)c3cc(Cl)ccc3N2C(=O)OCc2ccccc2)cc1 ZINC000026896144 569060028 /nfs/dbraw/zinc/06/00/28/569060028.db2.gz BNQLMWIREBQSNF-JOCHJYFZSA-N 0 0 421.880 5.820 40 0 HKABRN CC(C)(C)C(=O)Oc1ccc(C(=O)c2ccccc2-c2ccc3c(c2)OCO3)cc1 ZINC000026897507 569060001 /nfs/dbraw/zinc/06/00/01/569060001.db2.gz WCPBNOWSALNBCQ-UHFFFAOYSA-N 0 0 402.446 5.265 40 0 HKABRN CSC(=Nc1ccccc1)c1c(-c2ccccc2)c(C)n2c3ccccc3n(C)c12 ZINC000026919512 558666955 /nfs/dbraw/zinc/66/69/55/558666955.db2.gz LPNMMWKHYGMKJH-UHFFFAOYSA-O 0 0 410.566 6.011 40 0 HKABRN O=C1CS[C@@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N1Cc1cccnc1 ZINC000027061482 569047356 /nfs/dbraw/zinc/04/73/56/569047356.db2.gz PBXHBYOAPGCINZ-IBGZPJMESA-N 0 0 405.306 5.423 40 0 HKABRN O=C1CS[C@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N1Cc1cccnc1 ZINC000027061486 569047419 /nfs/dbraw/zinc/04/74/19/569047419.db2.gz PBXHBYOAPGCINZ-LJQANCHMSA-N 0 0 405.306 5.423 40 0 HKABRN O=C1CS[C@@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N1Cc1ccccc1 ZINC000027061538 569047393 /nfs/dbraw/zinc/04/73/93/569047393.db2.gz LFOADMWXVPYFFJ-FQEVSTJZSA-N 0 0 404.318 6.028 40 0 HKABRN O=C1CS[C@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N1Cc1ccccc1 ZINC000027061542 569047404 /nfs/dbraw/zinc/04/74/04/569047404.db2.gz LFOADMWXVPYFFJ-HXUWFJFHSA-N 0 0 404.318 6.028 40 0 HKABRN O=C(N[C@@H](Sc1nc2ccccc2s1)C(=O)c1cccs1)c1ccccc1 ZINC000027061731 569047372 /nfs/dbraw/zinc/04/73/72/569047372.db2.gz JERLTJFJCZYGFH-IBGZPJMESA-N 0 0 410.545 5.089 40 0 HKABRN O=C(N[C@H](Sc1nc2ccccc2s1)C(=O)c1cccs1)c1ccccc1 ZINC000027061735 569047365 /nfs/dbraw/zinc/04/73/65/569047365.db2.gz JERLTJFJCZYGFH-LJQANCHMSA-N 0 0 410.545 5.089 40 0 HKABRN O=C1CS[C@@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N1CCc1ccccc1 ZINC000027061882 569047385 /nfs/dbraw/zinc/04/73/85/569047385.db2.gz IANQCLYWKSPRIZ-NRFANRHFSA-N 0 0 418.345 6.070 40 0 HKABRN O=C1CS[C@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N1CCc1ccccc1 ZINC000027061885 569047420 /nfs/dbraw/zinc/04/74/20/569047420.db2.gz IANQCLYWKSPRIZ-OAQYLSRUSA-N 0 0 418.345 6.070 40 0 HKABRN COc1ccc(S(=O)(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)cc1 ZINC000027062028 569047360 /nfs/dbraw/zinc/04/73/60/569047360.db2.gz BDNCDQWVLUJCNJ-UHFFFAOYSA-N 0 0 422.531 5.287 40 0 HKABRN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=S)Nc1ccc(Cl)c(C)c1 ZINC000027232010 568867054 /nfs/dbraw/zinc/86/70/54/568867054.db2.gz LHOSMEWKAXSGKE-UHFFFAOYSA-N 0 0 410.370 5.268 40 0 HKABRN CC(C)Oc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000027248953 568566606 /nfs/dbraw/zinc/56/66/06/568566606.db2.gz CKJFSUDNDFFHAR-UHFFFAOYSA-N 0 0 414.549 5.021 40 0 HKABRN CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 ZINC000027345289 569350026 /nfs/dbraw/zinc/35/00/26/569350026.db2.gz VIELWYIXEODCTJ-SABQQLBSSA-N 0 0 405.626 6.748 40 0 HKABRN CN(C)c1ccc(/C=C2\CCCc3c(-c4ccccc4)cc(-c4ccccc4)nc32)s1 ZINC000027515389 558673972 /nfs/dbraw/zinc/67/39/72/558673972.db2.gz YOQCQAXQWYIXKK-RELWKKBWSA-N 0 0 422.597 7.420 40 0 HKABRN O=C(Nc1cn(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000027515769 568915785 /nfs/dbraw/zinc/91/57/85/568915785.db2.gz QTXHGZXUJWASLO-UHFFFAOYSA-N 0 0 423.303 6.490 40 0 HKABRN COc1ccccc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000027515774 568915923 /nfs/dbraw/zinc/91/59/23/568915923.db2.gz LYYWBEPCLKWEJV-UHFFFAOYSA-N 0 0 412.493 5.178 40 0 HKABRN Cc1ccc(Sc2nn3c(nc(C)cc3C)c2NC(=O)c2ccc(C)cc2)cc1 ZINC000027562095 568919628 /nfs/dbraw/zinc/91/96/28/568919628.db2.gz BEEZBQHGGQJGMG-UHFFFAOYSA-N 0 0 402.523 5.366 40 0 HKABRN Cc1cc(C)n2nc(Sc3ccc(Cl)cc3)c(NC(=O)c3ccccc3)c2n1 ZINC000027562692 569047388 /nfs/dbraw/zinc/04/73/88/569047388.db2.gz SBHOTVXLQJIYBD-UHFFFAOYSA-N 0 0 408.914 5.403 40 0 HKABRN CC(=O)Nc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn32)cc1 ZINC000027585945 569375330 /nfs/dbraw/zinc/37/53/30/569375330.db2.gz RMCWRKKDWBTJPO-UHFFFAOYSA-N 0 0 419.488 5.765 40 0 HKABRN CCCCc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn32)cc1 ZINC000027586057 569375381 /nfs/dbraw/zinc/37/53/81/569375381.db2.gz WGFMHPAVIJEZRT-UHFFFAOYSA-N 0 0 418.544 7.150 40 0 HKABRN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000027632487 558677288 /nfs/dbraw/zinc/67/72/88/558677288.db2.gz NFXDPBQZKKQNKV-UHFFFAOYSA-N 0 0 404.535 5.068 40 0 HKABRN O=C(Nc1ccccc1Cl)OCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000027642622 568928878 /nfs/dbraw/zinc/92/88/78/568928878.db2.gz BZWJHGUXIVTYLY-UHFFFAOYSA-N 0 0 409.898 6.003 40 0 HKABRN c1c2c(nn1-c1ccc(-c3ccccc3)cc1)-c1ccccc1N(Cc1ccccc1)C2 ZINC000027642821 568928943 /nfs/dbraw/zinc/92/89/43/568928943.db2.gz FSRYUUWJQWRHMM-UHFFFAOYSA-N 0 0 413.524 6.727 40 0 HKABRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNC(=O)c1ccc(O)cc1 ZINC000027644793 569385721 /nfs/dbraw/zinc/38/57/21/569385721.db2.gz XCWBOAHOJHPWLA-DOFZRALJSA-N 0 0 409.614 7.268 40 0 in-vitro HKABRN CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCn3ccnc3)cc1OC2(C)C ZINC000027646423 569385655 /nfs/dbraw/zinc/38/56/55/569385655.db2.gz RZGSWWCABDVBGX-NHCUHLMSSA-N 0 0 408.586 6.348 40 0 in-vitro HKABRN CCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)NC1CC1 ZINC000027646780 558677802 /nfs/dbraw/zinc/67/78/02/558677802.db2.gz BIOZTULSBXRZJX-UHFFFAOYSA-N 0 0 403.607 6.293 40 0 in-vitro HKABRN CCCCN(C)C(=O)Cn1c2ccccc2nc1[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000027695306 558680219 /nfs/dbraw/zinc/68/02/19/558680219.db2.gz FUBFYBSSMUAYBE-FQEVSTJZSA-N 0 0 405.586 5.645 40 0 HKABRN CCCCN(C)C(=O)Cn1c2ccccc2nc1[C@H](C)c1ccc(CC(C)C)cc1 ZINC000027695311 558680437 /nfs/dbraw/zinc/68/04/37/558680437.db2.gz FUBFYBSSMUAYBE-HXUWFJFHSA-N 0 0 405.586 5.645 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)CSc1ccc(-c2ccccn2)n1-n1cccc1 ZINC000027753615 569393116 /nfs/dbraw/zinc/39/31/16/569393116.db2.gz CCAKVURKWCRPNY-UHFFFAOYSA-N 0 0 422.941 5.356 40 0 HKABRN Cc1cccc(NC(=O)CSc2ccc(-c3ccccn3)n2-n2cccc2)c1C ZINC000027753642 569393032 /nfs/dbraw/zinc/39/30/32/569393032.db2.gz IOMJAXWISLBCNL-UHFFFAOYSA-N 0 0 402.523 5.011 40 0 HKABRN Cc1ccc(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 ZINC000027789039 558682521 /nfs/dbraw/zinc/68/25/21/558682521.db2.gz QZCLUBNQRFYGLJ-QFIPXVFZSA-N 0 0 409.533 5.530 40 0 HKABRN Cc1ccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 ZINC000027789042 558682464 /nfs/dbraw/zinc/68/24/64/558682464.db2.gz QZCLUBNQRFYGLJ-JOCHJYFZSA-N 0 0 409.533 5.530 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1C ZINC000027830185 558683905 /nfs/dbraw/zinc/68/39/05/558683905.db2.gz QRMHUYQYLQQQRQ-UHFFFAOYSA-N 0 0 419.481 5.378 40 0 HKABRN CCOc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccccc1 ZINC000027831529 568577509 /nfs/dbraw/zinc/57/75/09/568577509.db2.gz UQCIAPIQPZFESH-STZFKDTASA-N 0 0 417.436 5.148 40 0 HKABRN Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 ZINC000027835582 558683983 /nfs/dbraw/zinc/68/39/83/558683983.db2.gz PPAITXCHCNQYPG-UHFFFAOYSA-N 0 0 423.925 5.028 40 0 HKABRN O=C(CCCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1 ZINC000027917255 558684786 /nfs/dbraw/zinc/68/47/86/558684786.db2.gz SHRIMHLKNSIBDX-UHFFFAOYSA-N 0 0 416.974 5.477 40 0 HKABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000027917899 569350102 /nfs/dbraw/zinc/35/01/02/569350102.db2.gz BHONPPAXEUVRGG-OAHLLOKOSA-N 0 0 402.947 5.085 40 0 HKABRN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000027917905 569350081 /nfs/dbraw/zinc/35/00/81/569350081.db2.gz BHONPPAXEUVRGG-HNNXBMFYSA-N 0 0 402.947 5.085 40 0 HKABRN Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)n1 ZINC000027970392 569047510 /nfs/dbraw/zinc/04/75/10/569047510.db2.gz WCENPTHNLHZQTA-UHFFFAOYSA-N 0 0 407.823 5.473 40 0 HKABRN COc1ccc(CNc2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)cc1 ZINC000027985960 568987402 /nfs/dbraw/zinc/98/74/02/568987402.db2.gz LGNTYUKUAQSODL-UHFFFAOYSA-N 0 0 408.461 5.573 40 0 HKABRN CCCCOc1ccc(-c2csc(NC(=O)COc3c(C)cccc3C)n2)cc1 ZINC000028048139 568778471 /nfs/dbraw/zinc/77/84/71/568778471.db2.gz MNNGNSNIGOURKM-UHFFFAOYSA-N 0 0 410.539 5.623 40 0 HKABRN COC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc(C)c1-c1ccc(F)cc1 ZINC000028048205 568778507 /nfs/dbraw/zinc/77/85/07/568778507.db2.gz POEGZWVSMWDDQV-UHFFFAOYSA-N 0 0 403.862 5.555 40 0 HKABRN O=C(c1ccncc1)n1nc(-c2ccccc2Cl)c2cc(Br)ccc21 ZINC000028048326 558690419 /nfs/dbraw/zinc/69/04/19/558690419.db2.gz QKCGNQPPDUYSKO-UHFFFAOYSA-N 0 0 412.674 5.203 40 0 HKABRN CN1c2ccc(Br)cc2C(c2ccccc2)=N[C@H](c2ccccc2)CC1=O ZINC000028048389 558690405 /nfs/dbraw/zinc/69/04/05/558690405.db2.gz IUGSQXVUQIFLBS-FQEVSTJZSA-N 0 0 419.322 5.394 40 0 HKABRN CN1c2ccc(Br)cc2C(c2ccccc2)=N[C@@H](c2ccccc2)CC1=O ZINC000028048392 558690391 /nfs/dbraw/zinc/69/03/91/558690391.db2.gz IUGSQXVUQIFLBS-HXUWFJFHSA-N 0 0 419.322 5.394 40 0 HKABRN COc1cc(NC(=O)c2ccc(CSc3ccccc3)cc2)c(OC)cc1Cl ZINC000028076573 568593528 /nfs/dbraw/zinc/59/35/28/568593528.db2.gz DIXZECAPFMEUFX-UHFFFAOYSA-N 0 0 413.926 5.902 40 0 HKABRN Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000028184219 560856356 /nfs/dbraw/zinc/85/63/56/560856356.db2.gz NAOWUQJCYGNPLW-UHFFFAOYSA-N 0 0 417.745 5.266 40 0 HKABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1CCc1ccccc1 ZINC000028189543 558692079 /nfs/dbraw/zinc/69/20/79/558692079.db2.gz DUFRHACGNILBKK-UHFFFAOYSA-N 0 0 417.534 5.246 40 0 HKABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)c1cccc(OCc2ccccc2)c1 ZINC000028189592 558692049 /nfs/dbraw/zinc/69/20/49/558692049.db2.gz MNXZASSBYNIERH-UHFFFAOYSA-N 0 0 419.506 5.039 40 0 HKABRN Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1Sc1ccccc1 ZINC000028210391 569350253 /nfs/dbraw/zinc/35/02/53/569350253.db2.gz YKTWBMMSWFLCBN-UHFFFAOYSA-N 0 0 403.532 5.917 40 0 HKABRN Cc1nc(-c2cccnc2)sc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000028210393 569350233 /nfs/dbraw/zinc/35/02/33/569350233.db2.gz NRVVSLZUUHZKRG-UHFFFAOYSA-N 0 0 421.909 6.212 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000028210500 568598667 /nfs/dbraw/zinc/59/86/67/568598667.db2.gz VWYZFGNPMVJGLG-UHFFFAOYSA-N 0 0 403.787 5.842 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1C(F)(F)F ZINC000028210688 569350213 /nfs/dbraw/zinc/35/02/13/569350213.db2.gz UKLGNDRHJGFVPP-UHFFFAOYSA-N 0 0 403.787 5.842 40 0 HKABRN CCOc1cc(OCc2nc(-c3ccc(Cl)cc3)no2)cc(OCC)c1OCC ZINC000028218086 558692987 /nfs/dbraw/zinc/69/29/87/558692987.db2.gz IUFUQWMNNJGOMR-UHFFFAOYSA-N 0 0 418.877 5.165 40 0 HKABRN CC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1 ZINC000028229354 569047582 /nfs/dbraw/zinc/04/75/82/569047582.db2.gz KEWXJJPNXCNSPL-UHFFFAOYSA-N 0 0 404.249 5.620 40 0 HKABRN CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)c1cccc(C)c1 ZINC000028284347 568783928 /nfs/dbraw/zinc/78/39/28/568783928.db2.gz FZHGEGJMXNYPCA-UHFFFAOYSA-N 0 0 409.507 5.551 40 0 HKABRN CCCOc1ccc(-c2csc(NC(=O)c3cccc(C)c3)c2C(=O)OC)cc1 ZINC000028284357 568783903 /nfs/dbraw/zinc/78/39/03/568783903.db2.gz HZCFYKBLGAKYCO-UHFFFAOYSA-N 0 0 409.507 5.551 40 0 HKABRN Cc1cc2sc(NC(=O)COc3c(C)cc(Br)cc3C)nc2c(C)c1 ZINC000028284401 568783952 /nfs/dbraw/zinc/78/39/52/568783952.db2.gz MWONQYYBGCQQKM-UHFFFAOYSA-N 0 0 419.344 5.310 40 0 HKABRN Cc1cc2nc(NC(=O)COc3c(C)cc(Br)cc3C)sc2cc1C ZINC000028284413 568783944 /nfs/dbraw/zinc/78/39/44/568783944.db2.gz BUDVEHMODNHSQZ-UHFFFAOYSA-N 0 0 419.344 5.310 40 0 HKABRN CCc1ccc(-c2csc(NC(=O)COc3cc(C)cc(C)c3)c2C(=O)OC)cc1 ZINC000028284443 568783964 /nfs/dbraw/zinc/78/39/64/568783964.db2.gz RJFRJGGSMVGWDB-UHFFFAOYSA-N 0 0 423.534 5.398 40 0 HKABRN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1ccccc1C(C)C ZINC000028284484 568784002 /nfs/dbraw/zinc/78/40/02/568784002.db2.gz WDVSHJWBZFASIA-UHFFFAOYSA-N 0 0 423.534 5.733 40 0 HKABRN CCC(CC)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC ZINC000028284519 568783898 /nfs/dbraw/zinc/78/38/98/568783898.db2.gz CYUSQBUQHDRXHV-UHFFFAOYSA-N 0 0 424.360 5.647 40 0 HKABRN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1cccc(Cl)c1 ZINC000028284614 568783892 /nfs/dbraw/zinc/78/38/92/568783892.db2.gz OCIWHMJMCYEISX-UHFFFAOYSA-N 0 0 413.926 6.114 40 0 HKABRN Cc1ccc(NC(=O)Cn2c(=O)sc3c2SC(C)(C)[C@@H]2CC[C@@H](C)C[C@@H]32)cc1 ZINC000028295003 558698808 /nfs/dbraw/zinc/69/88/08/558698808.db2.gz JFSJRKGBQLYKOI-DJIMGWMZSA-N 0 0 416.612 5.261 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)/C=C/c1ccccc1 ZINC000028296338 569026519 /nfs/dbraw/zinc/02/65/19/569026519.db2.gz YDLGPSRBKLWFAV-MOGKMSSSSA-N 0 0 406.610 7.044 40 0 HKABRN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)/C=C/c1ccccc1 ZINC000028296340 569350307 /nfs/dbraw/zinc/35/03/07/569350307.db2.gz YDLGPSRBKLWFAV-LGKUEVIHSA-N 0 0 406.610 7.044 40 0 HKABRN Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000028303794 526291927 /nfs/dbraw/zinc/29/19/27/526291927.db2.gz MMUAKKQQPBPPGI-DHZHZOJOSA-N 0 0 400.309 5.507 40 0 HKABRN COc1ccc(-c2nc(-c3cccc(NC(=O)c4sccc4C)c3)no2)cc1OC ZINC000028304113 523185839 /nfs/dbraw/zinc/18/58/39/523185839.db2.gz ZLHPEIRAUZMBHY-UHFFFAOYSA-N 0 0 421.478 5.043 40 0 HKABRN COc1ccc(NC(=O)c2ccc(COc3cccc4ccccc43)o2)c(OC)c1 ZINC000028304366 524633535 /nfs/dbraw/zinc/63/35/35/524633535.db2.gz VITNFPSVMHMHJI-UHFFFAOYSA-N 0 0 403.434 5.281 40 0 HKABRN O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)C(c1ccccc1)c1ccccc1 ZINC000028305895 527530093 /nfs/dbraw/zinc/53/00/93/527530093.db2.gz ZUGGYGMBGRBBCZ-UHFFFAOYSA-N 0 0 419.887 5.495 40 0 HKABRN Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)NC1CCCCC1 ZINC000028306102 526284174 /nfs/dbraw/zinc/28/41/74/526284174.db2.gz KEVFSWIPFZGQFZ-UHFFFAOYSA-N 0 0 410.440 5.009 40 0 HKABRN Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)Nc1ccccc1 ZINC000028306113 526282745 /nfs/dbraw/zinc/28/27/45/526282745.db2.gz XEOSRFJWVMIXKY-UHFFFAOYSA-N 0 0 405.285 5.487 40 0 HKABRN O=C(Nc1ccccc1Br)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000028355692 558699839 /nfs/dbraw/zinc/69/98/39/558699839.db2.gz LOMBEAYQUXCQDJ-UHFFFAOYSA-N 0 0 411.082 6.268 40 0 HKABRN O=C(Nc1cccc(Br)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000028355699 568627193 /nfs/dbraw/zinc/62/71/93/568627193.db2.gz IHPMURSQYFVXLF-UHFFFAOYSA-N 0 0 411.082 6.268 40 0 HKABRN CCOc1ccccc1Nc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1 ZINC000028406070 569026541 /nfs/dbraw/zinc/02/65/41/569026541.db2.gz TYTLUJCNFVSCDW-UHFFFAOYSA-N 0 0 400.269 5.265 40 0 HKABRN CCCCN(CC)c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(C)cc2)n1 ZINC000028406132 569026549 /nfs/dbraw/zinc/02/65/49/569026549.db2.gz OJOMRWCAYDTUKY-UHFFFAOYSA-N 0 0 400.530 5.494 40 0 HKABRN O=C(CSc1noc(-c2ccccc2)n1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000028527147 568786458 /nfs/dbraw/zinc/78/64/58/568786458.db2.gz MTBIGWHZKUDADP-UHFFFAOYSA-N 0 0 413.808 5.140 40 0 HKABRN O=C(CSc1noc(-c2ccc(Br)cc2)n1)c1ccc(Cl)cc1 ZINC000028527291 568786692 /nfs/dbraw/zinc/78/66/92/568786692.db2.gz KPZZFKFIKCDYFS-UHFFFAOYSA-N 0 0 409.692 5.128 40 0 HKABRN O=C1CSc2ccccc2N1C(=S)N1c2ccccc2Sc2ccccc21 ZINC000028527518 568786613 /nfs/dbraw/zinc/78/66/13/568786613.db2.gz LZDBBRIVIIPTMK-UHFFFAOYSA-N 0 0 406.557 5.713 40 0 HKABRN Cc1cccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(Cl)c2)c1 ZINC000028527530 568786718 /nfs/dbraw/zinc/78/67/18/568786718.db2.gz DSBZRIFRTDBFRF-UHFFFAOYSA-N 0 0 409.921 5.205 40 0 HKABRN Cc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000028527534 568786738 /nfs/dbraw/zinc/78/67/38/568786738.db2.gz FDYWSZVQGIFHPG-UHFFFAOYSA-N 0 0 409.921 5.205 40 0 HKABRN O=C(Nc1cccc(Cl)c1)N(Cc1nc2n(n1)CCCCC2)c1ccc(F)cc1 ZINC000028527594 568786695 /nfs/dbraw/zinc/78/66/95/568786695.db2.gz WLONBRXLBHJIEG-UHFFFAOYSA-N 0 0 413.884 5.036 40 0 HKABRN Cc1c(Cl)cccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccccc1 ZINC000028527601 568786639 /nfs/dbraw/zinc/78/66/39/568786639.db2.gz KDMGVQZPXGIPOE-UHFFFAOYSA-N 0 0 409.921 5.205 40 0 HKABRN Cc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(C)c2C)cc1 ZINC000028527799 568786714 /nfs/dbraw/zinc/78/67/14/568786714.db2.gz JKSWPBRPCAHDTE-UHFFFAOYSA-N 0 0 403.530 5.168 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)N(Cc1nc2n(n1)CCCCC2)c1cccc(F)c1 ZINC000028527807 568786664 /nfs/dbraw/zinc/78/66/64/568786664.db2.gz KEXXYNFQQWXZBG-UHFFFAOYSA-N 0 0 413.884 5.036 40 0 HKABRN O=C(Nc1cccc(Cl)c1)N(Cc1nc2n(n1)CCCCC2)c1cccc(F)c1 ZINC000028527822 568786648 /nfs/dbraw/zinc/78/66/48/568786648.db2.gz OMVCSFTWCCLIHZ-UHFFFAOYSA-N 0 0 413.884 5.036 40 0 HKABRN Cc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1cccc(Cl)c1 ZINC000028527830 568786661 /nfs/dbraw/zinc/78/66/61/568786661.db2.gz GOXOOJJUBQUWHT-UHFFFAOYSA-N 0 0 409.921 5.205 40 0 HKABRN Cc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccc(Cl)cc1 ZINC000028527838 568786798 /nfs/dbraw/zinc/78/67/98/568786798.db2.gz UFACRSUTNDYWNF-UHFFFAOYSA-N 0 0 409.921 5.205 40 0 HKABRN Cc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)cc1Cl ZINC000028527888 568786813 /nfs/dbraw/zinc/78/68/13/568786813.db2.gz LJCUPCWNCWBMAC-UHFFFAOYSA-N 0 0 409.921 5.205 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)N(Cc1nc2n(n1)CCCCC2)c1ccc(F)cc1 ZINC000028527895 568786856 /nfs/dbraw/zinc/78/68/56/568786856.db2.gz LYUMXRXJJMPTNQ-UHFFFAOYSA-N 0 0 413.884 5.036 40 0 HKABRN O=C(Nc1ccccc1)N(Cc1nc2n(n1)CCCCC2)c1ccc(F)c(Cl)c1 ZINC000028527905 568786853 /nfs/dbraw/zinc/78/68/53/568786853.db2.gz OURIRNJQVXWXPK-UHFFFAOYSA-N 0 0 413.884 5.036 40 0 HKABRN O=C(Nc1ccccc1Cl)N(Cc1nc2n(n1)CCCCC2)c1ccc(F)cc1 ZINC000028534640 568787208 /nfs/dbraw/zinc/78/72/08/568787208.db2.gz OEMVYSFYDZVECK-UHFFFAOYSA-N 0 0 413.884 5.036 40 0 HKABRN Cc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(Cl)c2C)cc1 ZINC000028534820 568787223 /nfs/dbraw/zinc/78/72/23/568787223.db2.gz OAALVVOIFBWEEF-UHFFFAOYSA-N 0 0 423.948 5.513 40 0 HKABRN Cc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2Cl)cc1 ZINC000028534898 568787205 /nfs/dbraw/zinc/78/72/05/568787205.db2.gz TVNOAWNQBFVVFB-UHFFFAOYSA-N 0 0 409.921 5.205 40 0 HKABRN Nc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccc2n1C(=O)c1ccc(Cl)cc1 ZINC000028535023 568787206 /nfs/dbraw/zinc/78/72/06/568787206.db2.gz PBDYAZNPVVEXMN-UHFFFAOYSA-N 0 0 424.287 5.471 40 0 HKABRN Cc1cccc(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)cc3)c3ccccc32)c1 ZINC000028535057 568787272 /nfs/dbraw/zinc/78/72/72/568787272.db2.gz NIXMVYPUKSHKOT-UHFFFAOYSA-N 0 0 403.869 5.126 40 0 HKABRN Cc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)cc3)c3ccccc32)cc1C ZINC000028535060 568787215 /nfs/dbraw/zinc/78/72/15/568787215.db2.gz CBHCLZADUYERHT-UHFFFAOYSA-N 0 0 417.896 5.435 40 0 HKABRN Cc1ccc(C(=O)n2c(N)c(C(=O)Nc3cccc(Cl)c3)c3ccccc32)cc1 ZINC000028535119 568787216 /nfs/dbraw/zinc/78/72/16/568787216.db2.gz RBMARUQSYFZHPX-UHFFFAOYSA-N 0 0 403.869 5.126 40 0 HKABRN Nc1c(C(=O)Nc2ccccc2)c2ccccc2n1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000028535149 568787433 /nfs/dbraw/zinc/78/74/33/568787433.db2.gz ACVMIETZOMIUJF-UHFFFAOYSA-N 0 0 424.287 5.471 40 0 HKABRN Cc1ccccc1NC(=O)c1c(N)n(C(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000028535204 568787436 /nfs/dbraw/zinc/78/74/36/568787436.db2.gz IITQYRFCWOQLJM-UHFFFAOYSA-N 0 0 403.869 5.126 40 0 HKABRN Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2n1C(=O)c1ccccc1 ZINC000028535232 568787429 /nfs/dbraw/zinc/78/74/29/568787429.db2.gz JZFQWQJDBZBPQT-UHFFFAOYSA-N 0 0 423.394 5.183 40 0 HKABRN Cc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000028535349 568787403 /nfs/dbraw/zinc/78/74/03/568787403.db2.gz GMXDXHWERRKPRZ-UHFFFAOYSA-N 0 0 403.869 5.126 40 0 HKABRN Cc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)cc3)c3ccccc32)c(C)c1 ZINC000028535373 568787398 /nfs/dbraw/zinc/78/73/98/568787398.db2.gz USGVZWVSHYYZQA-UHFFFAOYSA-N 0 0 417.896 5.435 40 0 HKABRN Nc1c(C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1C(=O)c1ccccc1 ZINC000028535379 568787431 /nfs/dbraw/zinc/78/74/31/568787431.db2.gz OXGRFUAJLDHYGY-UHFFFAOYSA-N 0 0 424.287 5.471 40 0 HKABRN Cc1cc(C)cc(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)cc3)c3ccccc32)c1 ZINC000028535385 568787438 /nfs/dbraw/zinc/78/74/38/568787438.db2.gz MIBAGJILCNOTGX-UHFFFAOYSA-N 0 0 417.896 5.435 40 0 HKABRN Cc1ccc(NC(=O)c2c(N)n(C(=O)c3ccccc3)c3ccccc32)cc1Cl ZINC000028535421 568787391 /nfs/dbraw/zinc/78/73/91/568787391.db2.gz XAYUWSXJCLLWKD-UHFFFAOYSA-N 0 0 403.869 5.126 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)cc3)c3ccccc32)c1 ZINC000028535433 568787406 /nfs/dbraw/zinc/78/74/06/568787406.db2.gz ABWVYOJLLQBNNZ-UHFFFAOYSA-N 0 0 417.896 5.435 40 0 HKABRN Cc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(F)cc3)c3ccccc32)cc1Cl ZINC000028535444 568787407 /nfs/dbraw/zinc/78/74/07/568787407.db2.gz GDZMUOOPVXYBKK-UHFFFAOYSA-N 0 0 421.859 5.265 40 0 HKABRN Cc1ccc(C(=O)n2c(N)c(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccc32)cc1 ZINC000028535517 568787424 /nfs/dbraw/zinc/78/74/24/568787424.db2.gz OKGSTGFTAUMQSI-UHFFFAOYSA-N 0 0 417.896 5.435 40 0 HKABRN Cc1cccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c1 ZINC000028539295 569026556 /nfs/dbraw/zinc/02/65/56/569026556.db2.gz RTMXRSBDJXFHQM-UHFFFAOYSA-N 0 0 415.496 6.525 40 0 HKABRN Cc1ccccc1NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000028539299 569026544 /nfs/dbraw/zinc/02/65/44/569026544.db2.gz UOYCRMCUBAJCGU-UHFFFAOYSA-N 0 0 415.496 6.525 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000028539315 569026586 /nfs/dbraw/zinc/02/65/86/569026586.db2.gz WJXYIHQCNWUOBH-UHFFFAOYSA-N 0 0 419.459 6.355 40 0 HKABRN O=C(Nc1cccc(F)c1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000028539320 569026579 /nfs/dbraw/zinc/02/65/79/569026579.db2.gz XKTYXNHZELYRRJ-UHFFFAOYSA-N 0 0 419.459 6.355 40 0 HKABRN O=C(Nc1ccccc1F)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000028539323 569026571 /nfs/dbraw/zinc/02/65/71/569026571.db2.gz DNLLQBVDCDNRPV-UHFFFAOYSA-N 0 0 419.459 6.355 40 0 HKABRN O=C(Nc1nncs1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000028539353 569026578 /nfs/dbraw/zinc/02/65/78/569026578.db2.gz BQFZSLYSMXJIMB-UHFFFAOYSA-N 0 0 409.474 5.068 40 0 HKABRN Cc1nnc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)s1 ZINC000028539356 569026593 /nfs/dbraw/zinc/02/65/93/569026593.db2.gz LVOQUVRTBHCFKF-UHFFFAOYSA-N 0 0 423.501 5.376 40 0 HKABRN O=C(Cn1c2ccccc2nc1-c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000028539458 569026572 /nfs/dbraw/zinc/02/65/72/569026572.db2.gz CFBNUBAVIMTHQA-UHFFFAOYSA-N 0 0 415.707 6.546 40 0 HKABRN COc1ccc2nc(NC(=O)Cc3csc(-c4ccc(Cl)cc4)n3)sc2c1 ZINC000028539598 569026568 /nfs/dbraw/zinc/02/65/68/569026568.db2.gz XYPNKTUDVUASJX-UHFFFAOYSA-N 0 0 415.927 5.263 40 0 HKABRN Cc1ccnc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c1 ZINC000028539677 569026554 /nfs/dbraw/zinc/02/65/54/569026554.db2.gz FXDSRCZNFGSELM-UHFFFAOYSA-N 0 0 416.484 5.920 40 0 HKABRN COC(=O)c1c2c(sc1NC(=O)c1sc(C)nc1C)C[C@@H](C(C)(C)C)CC2 ZINC000028540157 569026539 /nfs/dbraw/zinc/02/65/39/569026539.db2.gz CCZQALKNNKHLKF-LBPRGKRZSA-N 0 0 406.573 5.011 40 0 HKABRN COC(=O)c1c2c(sc1NC(=O)c1sc(C)nc1C)C[C@H](C(C)(C)C)CC2 ZINC000028540161 569026577 /nfs/dbraw/zinc/02/65/77/569026577.db2.gz CCZQALKNNKHLKF-GFCCVEGCSA-N 0 0 406.573 5.011 40 0 HKABRN COC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000028540225 569026589 /nfs/dbraw/zinc/02/65/89/569026589.db2.gz ULVWDOGMBHPFSU-UHFFFAOYSA-N 0 0 419.527 6.183 40 0 HKABRN COc1ccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000028579237 568633778 /nfs/dbraw/zinc/63/37/78/568633778.db2.gz SUSRFBSFPIMNMX-UHFFFAOYSA-N 0 0 422.333 5.398 40 0 HKABRN COc1ccc(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000028579241 569350332 /nfs/dbraw/zinc/35/03/32/569350332.db2.gz IPSMNCJZKPWOJJ-UHFFFAOYSA-N 0 0 422.333 5.398 40 0 HKABRN COc1ccc(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000028579242 569350331 /nfs/dbraw/zinc/35/03/31/569350331.db2.gz VWLMGEJQBVEZPM-UHFFFAOYSA-N 0 0 422.333 5.398 40 0 HKABRN CCOc1ccc(N(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000028579259 568633810 /nfs/dbraw/zinc/63/38/10/568633810.db2.gz IFPGMWDFIHVSHF-UHFFFAOYSA-N 0 0 419.905 5.273 40 0 HKABRN CCOc1ccc(N(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000028579260 568633737 /nfs/dbraw/zinc/63/37/37/568633737.db2.gz DVYVDKFIFFNLNX-UHFFFAOYSA-N 0 0 401.915 5.134 40 0 HKABRN CCOc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000028579263 569350367 /nfs/dbraw/zinc/35/03/67/569350367.db2.gz NMVJXLORIXISQP-UHFFFAOYSA-N 0 0 401.915 5.134 40 0 HKABRN CCOc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000028579269 569350360 /nfs/dbraw/zinc/35/03/60/569350360.db2.gz CTLSKNRGIAHJGM-UHFFFAOYSA-N 0 0 401.915 5.134 40 0 HKABRN Cc1cc(NC(=O)c2ccc(COc3ncnc4ccccc43)cc2)ccc1Cl ZINC000028616802 568796106 /nfs/dbraw/zinc/79/61/06/568796106.db2.gz NWFQMXDMRCKGSA-UHFFFAOYSA-N 0 0 403.869 5.423 40 0 HKABRN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000028831341 569350369 /nfs/dbraw/zinc/35/03/69/569350369.db2.gz VDLKIRFMMCJBAY-UHFFFAOYSA-N 0 0 413.717 5.163 40 0 HKABRN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)Nc1cc(Cl)ccc1Cl ZINC000028831353 568639386 /nfs/dbraw/zinc/63/93/86/568639386.db2.gz IGGULRLDJBJCGG-UHFFFAOYSA-N 0 0 413.717 5.163 40 0 HKABRN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)Nc1ccc(Cl)cc1Cl ZINC000028831400 568639400 /nfs/dbraw/zinc/63/94/00/568639400.db2.gz JLJYHFWXCQWCJY-UHFFFAOYSA-N 0 0 413.717 5.163 40 0 HKABRN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)Nc1cccc(Cl)c1Cl ZINC000028831402 568639377 /nfs/dbraw/zinc/63/93/77/568639377.db2.gz TXVNSUYYLJBBJW-UHFFFAOYSA-N 0 0 413.717 5.163 40 0 HKABRN COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1O ZINC000028975117 568649466 /nfs/dbraw/zinc/64/94/66/568649466.db2.gz GZWXHAKNPLJOPT-CHHVJCJISA-N 0 0 412.319 5.113 40 0 HKABRN COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1O ZINC000028975151 569350323 /nfs/dbraw/zinc/35/03/23/569350323.db2.gz WNTSESKSUIKCQL-CHHVJCJISA-N 0 0 412.319 5.113 40 0 HKABRN COc1ccc(CN(C)C(=O)c2ccc(CSc3ccccc3)cc2)cc1OC ZINC000029262939 558712526 /nfs/dbraw/zinc/71/25/26/558712526.db2.gz CLJZDFVTTQZKNL-UHFFFAOYSA-N 0 0 407.535 5.268 40 0 HKABRN CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000029458899 558715375 /nfs/dbraw/zinc/71/53/75/558715375.db2.gz KBJQNCYDSHVZGD-UHFFFAOYSA-N 0 0 415.424 5.358 40 0 HKABRN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC000029462057 558715532 /nfs/dbraw/zinc/71/55/32/558715532.db2.gz MPXQGIOZBRCFJG-UHFFFAOYSA-N 0 0 402.381 5.129 40 0 HKABRN O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC000029462357 558715505 /nfs/dbraw/zinc/71/55/05/558715505.db2.gz CGCHHWMLIMLSFM-UHFFFAOYSA-N 0 0 416.408 5.171 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)c1ccc(F)cc1 ZINC000029505546 558716257 /nfs/dbraw/zinc/71/62/57/558716257.db2.gz QANRYCRBRMKICJ-OAHLLOKOSA-N 0 0 404.416 5.778 40 0 HKABRN C[C@H](NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)c1ccc(F)cc1 ZINC000029505547 558716391 /nfs/dbraw/zinc/71/63/91/558716391.db2.gz QANRYCRBRMKICJ-HNNXBMFYSA-N 0 0 404.416 5.778 40 0 HKABRN CSc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)c1 ZINC000029506760 558716298 /nfs/dbraw/zinc/71/62/98/558716298.db2.gz WOFHBLGJKCBIFS-UHFFFAOYSA-N 0 0 404.466 6.122 40 0 HKABRN COc1ccccc1CNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC000029506961 558716382 /nfs/dbraw/zinc/71/63/82/558716382.db2.gz ZPALIUZTKNDZMZ-UHFFFAOYSA-N 0 0 402.425 5.086 40 0 HKABRN CCOc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000029508235 558716396 /nfs/dbraw/zinc/71/63/96/558716396.db2.gz VQSIGVSLVOFSNH-UHFFFAOYSA-N 0 0 402.425 5.799 40 0 HKABRN COC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000029511173 558716400 /nfs/dbraw/zinc/71/64/00/558716400.db2.gz GVSDBHBVUPRZRB-UHFFFAOYSA-N 0 0 416.408 5.187 40 0 HKABRN CC(=O)Nc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)c1 ZINC000029511994 558716295 /nfs/dbraw/zinc/71/62/95/558716295.db2.gz ORXPHAQLGJPPCP-UHFFFAOYSA-N 0 0 415.424 5.358 40 0 HKABRN COc1ccc(CCNC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000029517489 558716314 /nfs/dbraw/zinc/71/63/14/558716314.db2.gz QKPWZPCBOWPCOR-UHFFFAOYSA-N 0 0 416.452 5.129 40 0 HKABRN CC(=O)c1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)c1 ZINC000029562650 558716903 /nfs/dbraw/zinc/71/69/03/558716903.db2.gz DVICZEPYQAAYKA-UHFFFAOYSA-N 0 0 400.409 5.603 40 0 HKABRN COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1OC ZINC000029564869 558717083 /nfs/dbraw/zinc/71/70/83/558717083.db2.gz CCCNUJSNEQNVBI-UHFFFAOYSA-N 0 0 418.424 5.417 40 0 HKABRN COc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000029566112 558717106 /nfs/dbraw/zinc/71/71/06/558717106.db2.gz NSWYNOUCGSQSGB-UHFFFAOYSA-N 0 0 402.425 5.086 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000030725695 519645977 /nfs/dbraw/zinc/64/59/77/519645977.db2.gz HKHHYUSFWJROEJ-MYMLUCEJSA-N 0 0 404.679 6.584 40 0 biogenic,in-vitro HKABRN CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000030725719 558735928 /nfs/dbraw/zinc/73/59/28/558735928.db2.gz ISBSSBGEYIBVTO-TYKWNDPBSA-N 0 0 418.662 5.474 40 0 endogenous,in-man HKABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)C1CCCCC1 ZINC000030729149 525353771 /nfs/dbraw/zinc/35/37/71/525353771.db2.gz YOVFVQWNQMEMNF-LVYWIKMTSA-N 0 0 400.603 6.090 40 0 in-vitro HKABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)CO2 ZINC000030731556 574414013 /nfs/dbraw/zinc/41/40/13/574414013.db2.gz GMBQZIIUCVWOCD-PUHUBZITSA-N 0 0 416.646 5.794 40 0 endogenous,in-man HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000030751018 558735905 /nfs/dbraw/zinc/73/59/05/558735905.db2.gz MLZGHHUIFLEZCO-GOSISDBHSA-N 0 0 407.819 6.308 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000030751022 558735919 /nfs/dbraw/zinc/73/59/19/558735919.db2.gz MLZGHHUIFLEZCO-SFHVURJKSA-N 0 0 407.819 6.308 40 0 HKABRN COc1cccc(OC)c1C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000030751052 558736151 /nfs/dbraw/zinc/73/61/51/558736151.db2.gz SBGOETWGPMJQHK-UHFFFAOYSA-N 0 0 417.505 5.485 40 0 HKABRN Cc1ccc(CCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000030751765 558736131 /nfs/dbraw/zinc/73/61/31/558736131.db2.gz UEEDZZKRAWUGCI-UHFFFAOYSA-N 0 0 405.563 5.529 40 0 HKABRN COc1ccc(CCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000030751797 558736114 /nfs/dbraw/zinc/73/61/14/558736114.db2.gz LNGMAJYSVBHXAN-UHFFFAOYSA-N 0 0 414.549 5.011 40 0 HKABRN CSc1ccccc1C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000030752260 558736236 /nfs/dbraw/zinc/73/62/36/558736236.db2.gz CNQOCWHXEVBEGM-UHFFFAOYSA-N 0 0 403.547 6.189 40 0 HKABRN O=C(CSCc1ccc(F)cc1)NCCSCc1ccc(Cl)cc1Cl ZINC000030752285 558736272 /nfs/dbraw/zinc/73/62/72/558736272.db2.gz LURMRDIBKZGAQF-UHFFFAOYSA-N 0 0 418.386 5.415 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(I)cc1C ZINC000030752289 558736221 /nfs/dbraw/zinc/73/62/21/558736221.db2.gz WCBGQAUZCQNTJB-QGZVFWFLSA-N 0 0 423.294 5.013 40 0 HKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(I)cc1C ZINC000030752293 558736308 /nfs/dbraw/zinc/73/63/08/558736308.db2.gz WCBGQAUZCQNTJB-KRWDZBQOSA-N 0 0 423.294 5.013 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000030752689 558736263 /nfs/dbraw/zinc/73/62/63/558736263.db2.gz FNGGTFVCJLGFHE-LJQANCHMSA-N 0 0 412.382 5.509 40 0 HKABRN CC[C@H](Oc1cccc(C)c1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000030752693 558736225 /nfs/dbraw/zinc/73/62/25/558736225.db2.gz FNGGTFVCJLGFHE-IBGZPJMESA-N 0 0 412.382 5.509 40 0 HKABRN Cc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c(C)c1 ZINC000030752971 558736450 /nfs/dbraw/zinc/73/64/50/558736450.db2.gz NZMDUIWNJFQRIV-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN O=C(NCc1ccccc1-n1ccnc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000030753001 558736389 /nfs/dbraw/zinc/73/63/89/558736389.db2.gz IIWNTVVYTAJUQB-UHFFFAOYSA-N 0 0 417.896 5.035 40 0 HKABRN CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1Cl ZINC000030753316 558736380 /nfs/dbraw/zinc/73/63/80/558736380.db2.gz SJJVGJLJDPFYGQ-CQSZACIVSA-N 0 0 403.906 5.220 40 0 HKABRN CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1Cl ZINC000030753320 558736397 /nfs/dbraw/zinc/73/63/97/558736397.db2.gz SJJVGJLJDPFYGQ-AWEZNQCLSA-N 0 0 403.906 5.220 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000030753738 558736366 /nfs/dbraw/zinc/73/63/66/558736366.db2.gz JENPEMUJRHHTIB-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000030753863 558736687 /nfs/dbraw/zinc/73/66/87/558736687.db2.gz LTJJTDXAMKOEFE-HSZRJFAPSA-N 0 0 411.448 5.018 40 0 HKABRN CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000030753867 558736737 /nfs/dbraw/zinc/73/67/37/558736737.db2.gz LTJJTDXAMKOEFE-QHCPKHFHSA-N 0 0 411.448 5.018 40 0 HKABRN CCOc1ccc(CNC(=O)[C@@H](CC)Oc2cccc3ccccc32)cc1OCC ZINC000030754076 558736690 /nfs/dbraw/zinc/73/66/90/558736690.db2.gz KHGPGTOYCUDZHA-OAQYLSRUSA-N 0 0 407.510 5.111 40 0 HKABRN CCOc1ccc(CNC(=O)[C@H](CC)Oc2cccc3ccccc32)cc1OCC ZINC000030754080 558736745 /nfs/dbraw/zinc/73/67/45/558736745.db2.gz KHGPGTOYCUDZHA-NRFANRHFSA-N 0 0 407.510 5.111 40 0 HKABRN Cc1nccn1-c1ccc(CNC(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000030754332 558736762 /nfs/dbraw/zinc/73/67/62/558736762.db2.gz QPKJJNUEFNMUFM-UHFFFAOYSA-N 0 0 420.365 5.037 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000030754457 558736671 /nfs/dbraw/zinc/73/66/71/558736671.db2.gz QMWCBJRHSJICLX-XMMPIXPASA-N 0 0 421.512 5.495 40 0 HKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000030754460 558736731 /nfs/dbraw/zinc/73/67/31/558736731.db2.gz QMWCBJRHSJICLX-DEOSSOPVSA-N 0 0 421.512 5.495 40 0 HKABRN CSc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000030754523 558736742 /nfs/dbraw/zinc/73/67/42/558736742.db2.gz YXYBZQCSONDBGV-UHFFFAOYSA-N 0 0 418.562 6.211 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CCSc3ccccc3)c2)cc1 ZINC000030754883 558736941 /nfs/dbraw/zinc/73/69/41/558736941.db2.gz HQRMSQKLBBZHRB-UHFFFAOYSA-N 0 0 417.574 6.336 40 0 HKABRN Cc1ccc(CN(C)C(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000030755186 558736878 /nfs/dbraw/zinc/73/68/78/558736878.db2.gz CLONUUWPNFQZPH-UHFFFAOYSA-N 0 0 404.348 5.092 40 0 HKABRN COc1ccc(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000030755418 558736911 /nfs/dbraw/zinc/73/69/11/558736911.db2.gz ODDPKIGHRXEWJC-UHFFFAOYSA-N 0 0 401.506 5.405 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)NCCSc1ccc(Cl)cc1 ZINC000030755426 558736901 /nfs/dbraw/zinc/73/69/01/558736901.db2.gz RVRZOBVLDIVHIX-UHFFFAOYSA-N 0 0 420.814 5.789 40 0 HKABRN O=C(NCCCc1ccccc1Cl)c1ccc(CN2CCc3ccccc32)cc1 ZINC000030755879 558737148 /nfs/dbraw/zinc/73/71/48/558737148.db2.gz YWHAQHUFCLDHOB-UHFFFAOYSA-N 0 0 404.941 5.265 40 0 HKABRN COc1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1Cl ZINC000030756409 558737314 /nfs/dbraw/zinc/73/73/14/558737314.db2.gz SNXSMNZJGMCKQM-UHFFFAOYSA-N 0 0 406.913 5.554 40 0 HKABRN Cc1cccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c1C ZINC000030756875 558737394 /nfs/dbraw/zinc/73/73/94/558737394.db2.gz LUHLBSGSLZUTKI-OAHLLOKOSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1cccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c1C ZINC000030756879 558737378 /nfs/dbraw/zinc/73/73/78/558737378.db2.gz LUHLBSGSLZUTKI-HNNXBMFYSA-N 0 0 412.382 5.427 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000030756906 558737326 /nfs/dbraw/zinc/73/73/26/558737326.db2.gz NXIZZJDCSVASQS-QGZVFWFLSA-N 0 0 400.327 5.520 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000030756910 558737343 /nfs/dbraw/zinc/73/73/43/558737343.db2.gz NXIZZJDCSVASQS-KRWDZBQOSA-N 0 0 400.327 5.520 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1 ZINC000030757021 558737388 /nfs/dbraw/zinc/73/73/88/558737388.db2.gz XQHADPFDBWPXGT-OAHLLOKOSA-N 0 0 420.347 5.227 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1 ZINC000030757025 558737308 /nfs/dbraw/zinc/73/73/08/558737308.db2.gz XQHADPFDBWPXGT-HNNXBMFYSA-N 0 0 420.347 5.227 40 0 HKABRN Cc1cccc(O[C@H](C)C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1C ZINC000030757172 558737569 /nfs/dbraw/zinc/73/75/69/558737569.db2.gz HBFPXBXCMDNCEN-LJQANCHMSA-N 0 0 407.485 5.105 40 0 HKABRN Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1C ZINC000030757176 558737472 /nfs/dbraw/zinc/73/74/72/558737472.db2.gz HBFPXBXCMDNCEN-IBGZPJMESA-N 0 0 407.485 5.105 40 0 HKABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1C ZINC000030757239 558737460 /nfs/dbraw/zinc/73/74/60/558737460.db2.gz ZYYKSEGRCWTIHQ-HXUWFJFHSA-N 0 0 405.563 6.310 40 0 HKABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1C ZINC000030757243 558737555 /nfs/dbraw/zinc/73/75/55/558737555.db2.gz ZYYKSEGRCWTIHQ-FQEVSTJZSA-N 0 0 405.563 6.310 40 0 HKABRN COc1ccc(SCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000030757294 558737500 /nfs/dbraw/zinc/73/75/00/558737500.db2.gz PIUOWBZPPFBCND-UHFFFAOYSA-N 0 0 416.395 5.144 40 0 HKABRN COC(=O)c1ccc(C)c(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 ZINC000030757347 558737539 /nfs/dbraw/zinc/73/75/39/558737539.db2.gz UMQCLGUFPFAZDS-UHFFFAOYSA-N 0 0 421.518 5.205 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC000030757514 558737520 /nfs/dbraw/zinc/73/75/20/558737520.db2.gz RECYDGLGDHFCTQ-UHFFFAOYSA-N 0 0 418.345 6.658 40 0 HKABRN Cc1ccccc1[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000030757822 558737452 /nfs/dbraw/zinc/73/74/52/558737452.db2.gz SDOIJXFBOUMSLZ-NRFANRHFSA-N 0 0 420.361 5.511 40 0 HKABRN Cc1ccccc1[C@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000030757826 558737457 /nfs/dbraw/zinc/73/74/57/558737457.db2.gz SDOIJXFBOUMSLZ-OAQYLSRUSA-N 0 0 420.361 5.511 40 0 HKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000030758311 558737687 /nfs/dbraw/zinc/73/76/87/558737687.db2.gz YCZPGKBCWLJERV-LJQANCHMSA-N 0 0 416.304 6.582 40 0 HKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000030758315 558737766 /nfs/dbraw/zinc/73/77/66/558737766.db2.gz YCZPGKBCWLJERV-IBGZPJMESA-N 0 0 416.304 6.582 40 0 HKABRN CCOc1cc([C@@H]2Nc3ccc(F)cc3[C@H]3OCCC[C@@H]23)cc(Cl)c1OCC ZINC000030781598 558738091 /nfs/dbraw/zinc/73/80/91/558738091.db2.gz BMOATCANHRXWSH-JHVJFLLYSA-N 0 0 405.897 5.911 40 0 HKABRN COc1ccccc1/C=C/C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000030848423 558739622 /nfs/dbraw/zinc/73/96/22/558739622.db2.gz AAJPSIQPPNXHMI-SAPNQHFASA-N 0 0 413.517 5.876 40 0 HKABRN CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(OC)cc1 ZINC000030848793 558739598 /nfs/dbraw/zinc/73/95/98/558739598.db2.gz SIHUJDYCTDRMRW-LJQANCHMSA-N 0 0 420.347 5.227 40 0 HKABRN CC[C@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(OC)cc1 ZINC000030848797 558739616 /nfs/dbraw/zinc/73/96/16/558739616.db2.gz SIHUJDYCTDRMRW-IBGZPJMESA-N 0 0 420.347 5.227 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000030849251 558739611 /nfs/dbraw/zinc/73/96/11/558739611.db2.gz WNFNLUUBGGWHBT-UHFFFAOYSA-N 0 0 413.542 6.701 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000030849826 558739770 /nfs/dbraw/zinc/73/97/70/558739770.db2.gz OQRUCODFEYDRKH-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1OC ZINC000030849904 558739790 /nfs/dbraw/zinc/73/97/90/558739790.db2.gz LQYQQESNVJJIKR-KRWDZBQOSA-N 0 0 407.535 5.090 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1OC ZINC000030849908 558739764 /nfs/dbraw/zinc/73/97/64/558739764.db2.gz LQYQQESNVJJIKR-QGZVFWFLSA-N 0 0 407.535 5.090 40 0 HKABRN COc1ccccc1CN(C)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000030849980 558739714 /nfs/dbraw/zinc/73/97/14/558739714.db2.gz KZUPIAVGVGGQOC-UHFFFAOYSA-N 0 0 411.954 5.913 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)c(Cl)c1 ZINC000030850564 558739738 /nfs/dbraw/zinc/73/97/38/558739738.db2.gz MYONFLOGWFPYKB-UHFFFAOYSA-N 0 0 407.897 5.554 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000030850610 558739784 /nfs/dbraw/zinc/73/97/84/558739784.db2.gz URURDXJDFYMCED-HSZRJFAPSA-N 0 0 422.981 6.977 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000030850614 558739703 /nfs/dbraw/zinc/73/97/03/558739703.db2.gz URURDXJDFYMCED-QHCPKHFHSA-N 0 0 422.981 6.977 40 0 HKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000030851007 558740005 /nfs/dbraw/zinc/74/00/05/558740005.db2.gz SSNDKENQFHEJRX-JOCHJYFZSA-N 0 0 411.954 6.428 40 0 HKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000030851012 558740039 /nfs/dbraw/zinc/74/00/39/558740039.db2.gz SSNDKENQFHEJRX-QFIPXVFZSA-N 0 0 411.954 6.428 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000030851336 558740000 /nfs/dbraw/zinc/74/00/00/558740000.db2.gz FKCOUYASVBQHTN-JOCHJYFZSA-N 0 0 408.542 5.116 40 0 HKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000030851340 558739964 /nfs/dbraw/zinc/73/99/64/558739964.db2.gz FKCOUYASVBQHTN-QFIPXVFZSA-N 0 0 408.542 5.116 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000030851418 558740042 /nfs/dbraw/zinc/74/00/42/558740042.db2.gz JNBOIPAFMXIWAV-UHFFFAOYSA-N 0 0 411.498 5.155 40 0 HKABRN CCOc1cccc(CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 ZINC000030851522 558740015 /nfs/dbraw/zinc/74/00/15/558740015.db2.gz NQYTWINXDIFZGU-UHFFFAOYSA-N 0 0 411.954 5.961 40 0 HKABRN COc1ccc(SCC(=O)Nc2ccccc2Sc2ccccc2)cc1OC ZINC000030851547 558740196 /nfs/dbraw/zinc/74/01/96/558740196.db2.gz ALDFNIMBPVIKFN-UHFFFAOYSA-N 0 0 411.548 5.586 40 0 HKABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000030852152 558740161 /nfs/dbraw/zinc/74/01/61/558740161.db2.gz NAACKEGIGZJEEX-IBGZPJMESA-N 0 0 405.563 6.256 40 0 HKABRN CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000030852157 558740122 /nfs/dbraw/zinc/74/01/22/558740122.db2.gz NAACKEGIGZJEEX-LJQANCHMSA-N 0 0 405.563 6.256 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCc2ccc(OC(C)C)cc2)c2ccccc2)cc1 ZINC000030852253 558740212 /nfs/dbraw/zinc/74/02/12/558740212.db2.gz PXUHYEBTFLHGJU-KOEQRZSOSA-N 0 0 401.506 5.339 40 0 HKABRN CCOC(=O)c1cc(NC(=O)c2ccccc2CCc2ccccc2)ccc1Cl ZINC000030852278 558740165 /nfs/dbraw/zinc/74/01/65/558740165.db2.gz BMKUFBQESAJBGS-UHFFFAOYSA-N 0 0 407.897 5.554 40 0 HKABRN CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)ccc1Cl ZINC000030853812 558740645 /nfs/dbraw/zinc/74/06/45/558740645.db2.gz JVYHAXWVPWQABJ-OAQYLSRUSA-N 0 0 411.885 5.466 40 0 HKABRN CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)ccc1Cl ZINC000030853817 558740627 /nfs/dbraw/zinc/74/06/27/558740627.db2.gz JVYHAXWVPWQABJ-NRFANRHFSA-N 0 0 411.885 5.466 40 0 HKABRN O=C(NCCSc1ccccc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000030854027 558740591 /nfs/dbraw/zinc/74/05/91/558740591.db2.gz PFHMTDNURSJTPR-UHFFFAOYSA-N 0 0 402.563 5.162 40 0 HKABRN COc1ccc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC ZINC000030854096 558740638 /nfs/dbraw/zinc/74/06/38/558740638.db2.gz VDTFMFOGVRDSMW-UHFFFAOYSA-N 0 0 405.825 5.107 40 0 HKABRN Cc1ccc([C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000030854168 558740628 /nfs/dbraw/zinc/74/06/28/558740628.db2.gz NISLETPFDBHVKD-LJAQVGFWSA-N 0 0 405.541 6.423 40 0 HKABRN Cc1ccc([C@H](NC(=O)CC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000030854173 558740623 /nfs/dbraw/zinc/74/06/23/558740623.db2.gz NISLETPFDBHVKD-GDLZYMKVSA-N 0 0 405.541 6.423 40 0 HKABRN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000030854887 558740875 /nfs/dbraw/zinc/74/08/75/558740875.db2.gz GBBQCOASIAEWNP-UHFFFAOYSA-N 0 0 411.954 5.783 40 0 HKABRN COc1ccc(CN(C)C(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1OC ZINC000030855009 558740895 /nfs/dbraw/zinc/74/08/95/558740895.db2.gz QAWDMKWGQWJLDA-UHFFFAOYSA-N 0 0 421.562 5.577 40 0 HKABRN Cc1ccc([C@@H](NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 ZINC000030855197 558740850 /nfs/dbraw/zinc/74/08/50/558740850.db2.gz HKHFDGCMYFDVIO-NRFANRHFSA-N 0 0 420.361 5.511 40 0 HKABRN Cc1ccc([C@H](NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 ZINC000030855201 558740877 /nfs/dbraw/zinc/74/08/77/558740877.db2.gz HKHFDGCMYFDVIO-OAQYLSRUSA-N 0 0 420.361 5.511 40 0 HKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000030855556 558741068 /nfs/dbraw/zinc/74/10/68/558741068.db2.gz IJGNNARTFRYAHK-JOCHJYFZSA-N 0 0 408.542 5.162 40 0 HKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000030855562 558741066 /nfs/dbraw/zinc/74/10/66/558741066.db2.gz IJGNNARTFRYAHK-QFIPXVFZSA-N 0 0 408.542 5.162 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000030856212 558741102 /nfs/dbraw/zinc/74/11/02/558741102.db2.gz VDYXEPJVZHOSCN-JOCHJYFZSA-N 0 0 404.510 5.022 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000030856218 558741075 /nfs/dbraw/zinc/74/10/75/558741075.db2.gz VDYXEPJVZHOSCN-QFIPXVFZSA-N 0 0 404.510 5.022 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000030856620 558741062 /nfs/dbraw/zinc/74/10/62/558741062.db2.gz FGXPRBZLKBUHBS-LJQANCHMSA-N 0 0 418.718 6.052 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000030856625 558741039 /nfs/dbraw/zinc/74/10/39/558741039.db2.gz FGXPRBZLKBUHBS-IBGZPJMESA-N 0 0 418.718 6.052 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)COc2ccc3ccccc3c2Br)c(C)c1 ZINC000030856862 558741280 /nfs/dbraw/zinc/74/12/80/558741280.db2.gz LECQOWPIINQYAQ-MRXNPFEDSA-N 0 0 412.327 5.475 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)COc2ccc3ccccc3c2Br)c(C)c1 ZINC000030856868 558741301 /nfs/dbraw/zinc/74/13/01/558741301.db2.gz LECQOWPIINQYAQ-INIZCTEOSA-N 0 0 412.327 5.475 40 0 HKABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000030857146 558741225 /nfs/dbraw/zinc/74/12/25/558741225.db2.gz ICKRUSFQQGBJPR-OAQYLSRUSA-N 0 0 411.860 5.506 40 0 HKABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000030857152 558741267 /nfs/dbraw/zinc/74/12/67/558741267.db2.gz ICKRUSFQQGBJPR-NRFANRHFSA-N 0 0 411.860 5.506 40 0 HKABRN CCOc1ccc(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC ZINC000030857517 558741258 /nfs/dbraw/zinc/74/12/58/558741258.db2.gz BRERULCGXKJLJL-UHFFFAOYSA-N 0 0 419.521 5.634 40 0 HKABRN COc1ccc(CN(C)C(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1OC ZINC000030857532 558741270 /nfs/dbraw/zinc/74/12/70/558741270.db2.gz GARBTABVNLURHJ-LTGZKZEYSA-N 0 0 421.924 5.556 40 0 HKABRN COc1ccc(SCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1OC ZINC000030858620 558741488 /nfs/dbraw/zinc/74/14/88/558741488.db2.gz HWMXKRQFTIZNNP-DEOSSOPVSA-N 0 0 407.535 5.010 40 0 HKABRN COc1ccc(SCC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1OC ZINC000030858628 558741518 /nfs/dbraw/zinc/74/15/18/558741518.db2.gz HWMXKRQFTIZNNP-XMMPIXPASA-N 0 0 407.535 5.010 40 0 HKABRN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000030858765 132497529 /nfs/dbraw/zinc/49/75/29/132497529.db2.gz HMMXKOMBHSLGAC-UHFFFAOYSA-N 0 0 400.566 5.338 40 0 HKABRN CCOC(=O)c1cc(NC(=O)c2cccc(OCc3ccccc3)c2)ccc1Cl ZINC000030859226 558741479 /nfs/dbraw/zinc/74/14/79/558741479.db2.gz QYOTYWMULXHRTC-UHFFFAOYSA-N 0 0 409.869 5.348 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=O)CSCc2c(F)cccc2Cl)cc1 ZINC000030860085 558741631 /nfs/dbraw/zinc/74/16/31/558741631.db2.gz BQIAVWIREHEDDQ-HXUWFJFHSA-N 0 0 409.954 5.625 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=O)CSCc2c(F)cccc2Cl)cc1 ZINC000030860091 558741619 /nfs/dbraw/zinc/74/16/19/558741619.db2.gz BQIAVWIREHEDDQ-FQEVSTJZSA-N 0 0 409.954 5.625 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000030860171 558741625 /nfs/dbraw/zinc/74/16/25/558741625.db2.gz JUABTGHMWZUNIG-XMMPIXPASA-N 0 0 419.590 6.505 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000030860176 558741643 /nfs/dbraw/zinc/74/16/43/558741643.db2.gz JUABTGHMWZUNIG-DEOSSOPVSA-N 0 0 419.590 6.505 40 0 HKABRN CCOC(=O)c1cc(NC(=O)c2ccccc2OCc2ccccc2)ccc1Cl ZINC000030861030 558741624 /nfs/dbraw/zinc/74/16/24/558741624.db2.gz WIVAOJDLFXPOPO-UHFFFAOYSA-N 0 0 409.869 5.348 40 0 HKABRN O=C(CSCc1ccc(F)cc1)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000030861601 558741807 /nfs/dbraw/zinc/74/18/07/558741807.db2.gz BKWKHDYNODWZAG-UHFFFAOYSA-N 0 0 413.489 5.093 40 0 HKABRN COc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1OC ZINC000030861974 558741804 /nfs/dbraw/zinc/74/18/04/558741804.db2.gz ADKGWSHFALDZCL-GOSISDBHSA-N 0 0 421.562 5.796 40 0 HKABRN COc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1OC ZINC000030861978 558741848 /nfs/dbraw/zinc/74/18/48/558741848.db2.gz ADKGWSHFALDZCL-SFHVURJKSA-N 0 0 421.562 5.796 40 0 HKABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1C ZINC000030861985 558741794 /nfs/dbraw/zinc/74/17/94/558741794.db2.gz NMNNPMYJMXEEMR-WOJBJXKFSA-N 0 0 416.521 5.200 40 0 HKABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1C ZINC000030861991 558741798 /nfs/dbraw/zinc/74/17/98/558741798.db2.gz NMNNPMYJMXEEMR-VQTJNVASSA-N 0 0 416.521 5.200 40 0 HKABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1C ZINC000030861997 558741816 /nfs/dbraw/zinc/74/18/16/558741816.db2.gz NMNNPMYJMXEEMR-UXHICEINSA-N 0 0 416.521 5.200 40 0 HKABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1C ZINC000030862003 558741849 /nfs/dbraw/zinc/74/18/49/558741849.db2.gz NMNNPMYJMXEEMR-PMACEKPBSA-N 0 0 416.521 5.200 40 0 HKABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000030862275 558741867 /nfs/dbraw/zinc/74/18/67/558741867.db2.gz LTQLHXFOOUJYTM-UHFFFAOYSA-N 0 0 405.563 6.542 40 0 HKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000030862504 558742020 /nfs/dbraw/zinc/74/20/20/558742020.db2.gz HXJCCSOUHXYWKU-UHFFFAOYSA-N 0 0 420.512 6.294 40 0 HKABRN Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccc2)cc1 ZINC000030862907 558742039 /nfs/dbraw/zinc/74/20/39/558742039.db2.gz SAODBYZRWLWOBB-DVECYGJZSA-N 0 0 407.941 5.938 40 0 HKABRN Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccc2)cc1 ZINC000030862911 558742014 /nfs/dbraw/zinc/74/20/14/558742014.db2.gz SAODBYZRWLWOBB-CYFREDJKSA-N 0 0 407.941 5.938 40 0 HKABRN Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccc2)cc1 ZINC000030862916 558742034 /nfs/dbraw/zinc/74/20/34/558742034.db2.gz SAODBYZRWLWOBB-NTKDMRAZSA-N 0 0 407.941 5.938 40 0 HKABRN Cc1ccc([C@H](NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccc2)cc1 ZINC000030862920 558742046 /nfs/dbraw/zinc/74/20/46/558742046.db2.gz SAODBYZRWLWOBB-YADARESESA-N 0 0 407.941 5.938 40 0 HKABRN COc1cc2ccccc2cc1C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000030863152 558742079 /nfs/dbraw/zinc/74/20/79/558742079.db2.gz LPIBQMCRNLWFAO-UHFFFAOYSA-N 0 0 415.464 5.497 40 0 HKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OCCSc2ccccc2)cc1 ZINC000030863623 558742058 /nfs/dbraw/zinc/74/20/58/558742058.db2.gz XYGOBIAJNZATOJ-UHFFFAOYSA-N 0 0 417.452 6.129 40 0 HKABRN COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000030863717 558742025 /nfs/dbraw/zinc/74/20/25/558742025.db2.gz XDLOZJPAKALSNV-LJQANCHMSA-N 0 0 400.522 5.139 40 0 HKABRN COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000030863722 558742032 /nfs/dbraw/zinc/74/20/32/558742032.db2.gz XDLOZJPAKALSNV-IBGZPJMESA-N 0 0 400.522 5.139 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1F ZINC000030864315 558742264 /nfs/dbraw/zinc/74/22/64/558742264.db2.gz FXTLSYXWLOPSQY-OAHLLOKOSA-N 0 0 402.716 5.751 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1F ZINC000030864320 558742271 /nfs/dbraw/zinc/74/22/71/558742271.db2.gz FXTLSYXWLOPSQY-HNNXBMFYSA-N 0 0 402.716 5.751 40 0 HKABRN Cc1ccc(O[C@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000030864529 558742214 /nfs/dbraw/zinc/74/22/14/558742214.db2.gz IQXNQOMANKEFAV-LJQANCHMSA-N 0 0 415.533 5.930 40 0 HKABRN Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000030864535 558742209 /nfs/dbraw/zinc/74/22/09/558742209.db2.gz IQXNQOMANKEFAV-IBGZPJMESA-N 0 0 415.533 5.930 40 0 HKABRN CC(C)Oc1cccc(CNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 ZINC000030864661 558742188 /nfs/dbraw/zinc/74/21/88/558742188.db2.gz GWVZFLZUMMPJGX-UHFFFAOYSA-N 0 0 414.549 5.357 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3C)c2)cc1 ZINC000030864668 558742232 /nfs/dbraw/zinc/74/22/32/558742232.db2.gz SMBCBYBPXBHAJE-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccccc1CSCCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000030865431 558742484 /nfs/dbraw/zinc/74/24/84/558742484.db2.gz DDUMXACLLDISQU-UHFFFAOYSA-N 0 0 416.590 5.221 40 0 HKABRN O=S(=O)(NCc1ccc(Cl)cc1Cl)c1ccc(Oc2ccccc2)cc1 ZINC000030866125 558742703 /nfs/dbraw/zinc/74/27/03/558742703.db2.gz PXPUTQOKRJBJAE-UHFFFAOYSA-N 0 0 408.306 5.264 40 0 HKABRN O=C(CSCc1ccc(F)cc1)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000030866297 558742739 /nfs/dbraw/zinc/74/27/39/558742739.db2.gz ZSQXVVLJAFMZHJ-UHFFFAOYSA-N 0 0 418.386 5.415 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000030867149 558742691 /nfs/dbraw/zinc/74/26/91/558742691.db2.gz NEOHJIZRCWAGNQ-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000030867188 558742720 /nfs/dbraw/zinc/74/27/20/558742720.db2.gz RJKFTAXEBTVXGA-XMMPIXPASA-N 0 0 405.538 5.533 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000030867193 558742750 /nfs/dbraw/zinc/74/27/50/558742750.db2.gz RJKFTAXEBTVXGA-DEOSSOPVSA-N 0 0 405.538 5.533 40 0 HKABRN O=C(CSCc1ccc(F)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000030867220 558742699 /nfs/dbraw/zinc/74/26/99/558742699.db2.gz KTMQDAGYAKQXIP-UHFFFAOYSA-N 0 0 413.901 5.582 40 0 HKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000030867681 558742899 /nfs/dbraw/zinc/74/28/99/558742899.db2.gz GXVXBQPIXBMOHK-XMMPIXPASA-N 0 0 421.512 5.495 40 0 HKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000030867687 558742920 /nfs/dbraw/zinc/74/29/20/558742920.db2.gz GXVXBQPIXBMOHK-DEOSSOPVSA-N 0 0 421.512 5.495 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cccc(CN2CCOCC2)c1 ZINC000030868014 558742892 /nfs/dbraw/zinc/74/28/92/558742892.db2.gz OZSGQAHSUGIQPT-UHFFFAOYSA-N 0 0 422.912 5.217 40 0 HKABRN Cc1nccn1-c1ccc(CNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000030869013 558743160 /nfs/dbraw/zinc/74/31/60/558743160.db2.gz UMXRABWWAIKGPO-UHFFFAOYSA-N 0 0 420.365 5.037 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 ZINC000030869140 558743187 /nfs/dbraw/zinc/74/31/87/558743187.db2.gz TUQZBGCLKUBLBA-KIJZHVTOSA-N 0 0 405.925 6.157 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 ZINC000030869145 558743174 /nfs/dbraw/zinc/74/31/74/558743174.db2.gz TUQZBGCLKUBLBA-LWJGVMBGSA-N 0 0 405.925 6.157 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000030869346 132497588 /nfs/dbraw/zinc/49/75/88/132497588.db2.gz YIASZIYDILTZJP-LJQANCHMSA-N 0 0 409.382 5.213 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000030869351 558743171 /nfs/dbraw/zinc/74/31/71/558743171.db2.gz YIASZIYDILTZJP-IBGZPJMESA-N 0 0 409.382 5.213 40 0 HKABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000030869791 558743143 /nfs/dbraw/zinc/74/31/43/558743143.db2.gz ZKWBOOZREQPISO-CQSZACIVSA-N 0 0 402.277 6.192 40 0 HKABRN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000030869797 558743180 /nfs/dbraw/zinc/74/31/80/558743180.db2.gz ZKWBOOZREQPISO-AWEZNQCLSA-N 0 0 402.277 6.192 40 0 HKABRN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(OCCSc2ccccc2)cc1 ZINC000030870117 558743185 /nfs/dbraw/zinc/74/31/85/558743185.db2.gz QYCMRJGVWYWIQL-UHFFFAOYSA-N 0 0 401.890 5.903 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)COc3ccccc3Cl)c2)cc1 ZINC000030870643 558743326 /nfs/dbraw/zinc/74/33/26/558743326.db2.gz YHNNQVZNRAFFIW-UHFFFAOYSA-N 0 0 421.924 5.886 40 0 HKABRN CN(Cc1ccc(Cl)cc1)C(=O)COc1ccc2ccccc2c1Br ZINC000030870922 558743348 /nfs/dbraw/zinc/74/33/48/558743348.db2.gz XERFTMLIFOBLIR-UHFFFAOYSA-N 0 0 418.718 5.293 40 0 HKABRN Cc1ccccc1CSCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000030870993 558743324 /nfs/dbraw/zinc/74/33/24/558743324.db2.gz AOVKMLBNGXTROB-UHFFFAOYSA-N 0 0 414.423 5.585 40 0 HKABRN O=C(COc1ccc2ccccc2c1Br)N[C@@H]1CCCc2ccccc21 ZINC000030871058 558743359 /nfs/dbraw/zinc/74/33/59/558743359.db2.gz DLEOFAKGKRXDHD-LJQANCHMSA-N 0 0 410.311 5.175 40 0 HKABRN O=C(COc1ccc2ccccc2c1Br)N[C@H]1CCCc2ccccc21 ZINC000030871065 558743377 /nfs/dbraw/zinc/74/33/77/558743377.db2.gz DLEOFAKGKRXDHD-IBGZPJMESA-N 0 0 410.311 5.175 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1Cl ZINC000030871195 558743343 /nfs/dbraw/zinc/74/33/43/558743343.db2.gz RMNGDSMBNZCARU-UHFFFAOYSA-N 0 0 407.897 5.677 40 0 HKABRN COc1cccc(CCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 ZINC000030871548 558743392 /nfs/dbraw/zinc/74/33/92/558743392.db2.gz STJJKRMFKDZASZ-UHFFFAOYSA-N 0 0 421.562 5.229 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(OCCSc2ccccc2)cc1 ZINC000030871973 558743543 /nfs/dbraw/zinc/74/35/43/558743543.db2.gz NWVVTGGOAOPONS-UHFFFAOYSA-N 0 0 418.345 6.417 40 0 HKABRN O=C(Nc1ccccc1Br)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000030872857 527407952 /nfs/dbraw/zinc/40/79/52/527407952.db2.gz HPEHFJLGZDCZGL-UHFFFAOYSA-N 0 0 421.338 5.654 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000030873289 558743547 /nfs/dbraw/zinc/74/35/47/558743547.db2.gz OXQAMUXSZJVIHM-OAHLLOKOSA-N 0 0 408.272 6.522 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000030873294 558743560 /nfs/dbraw/zinc/74/35/60/558743560.db2.gz OXQAMUXSZJVIHM-HNNXBMFYSA-N 0 0 408.272 6.522 40 0 HKABRN CC(C)C[C@@H](NC(=O)c1ccc(CN2CCCc3ccccc32)cc1)c1ccccc1 ZINC000030873445 132497566 /nfs/dbraw/zinc/49/75/66/132497566.db2.gz FCDHBAXTKARYRU-AREMUKBSSA-N 0 0 412.577 6.157 40 0 HKABRN CC(C)C[C@H](NC(=O)c1ccc(CN2CCCc3ccccc32)cc1)c1ccccc1 ZINC000030873452 558743739 /nfs/dbraw/zinc/74/37/39/558743739.db2.gz FCDHBAXTKARYRU-SANMLTNESA-N 0 0 412.577 6.157 40 0 HKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000030873472 558743756 /nfs/dbraw/zinc/74/37/56/558743756.db2.gz NMNUODOZBWNANT-OAQYLSRUSA-N 0 0 414.933 5.199 40 0 HKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000030873479 558743812 /nfs/dbraw/zinc/74/38/12/558743812.db2.gz NMNUODOZBWNANT-NRFANRHFSA-N 0 0 414.933 5.199 40 0 HKABRN CC1=C[C@@H](CNC(=O)C(C)(C)C)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1ccccc1 ZINC000030880142 291290320 /nfs/dbraw/zinc/29/03/20/291290320.db2.gz VAUKYLRTSOUELR-VABKMULXSA-N 0 0 412.618 5.052 40 0 biogenic,in-vitro HKABRN CSc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000030938087 558744947 /nfs/dbraw/zinc/74/49/47/558744947.db2.gz ZPZIBMPNAXSVJU-UHFFFAOYSA-N 0 0 409.382 5.566 40 0 HKABRN CSc1ccccc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000030938089 558744808 /nfs/dbraw/zinc/74/48/08/558744808.db2.gz XOGULMWBZZYFNT-UHFFFAOYSA-N 0 0 409.382 5.566 40 0 HKABRN CSc1ccccc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000030938094 558744791 /nfs/dbraw/zinc/74/47/91/558744791.db2.gz XEWWBCBYQUPJDY-UHFFFAOYSA-N 0 0 419.388 5.022 40 0 HKABRN CCCCc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000030938195 558744778 /nfs/dbraw/zinc/74/47/78/558744778.db2.gz VODBFEQZHDUZIC-LJQANCHMSA-N 0 0 419.396 6.187 40 0 HKABRN CCCCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000030938198 558744920 /nfs/dbraw/zinc/74/49/20/558744920.db2.gz VODBFEQZHDUZIC-IBGZPJMESA-N 0 0 419.396 6.187 40 0 HKABRN CCCCc1ccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000030938201 558744826 /nfs/dbraw/zinc/74/48/26/558744826.db2.gz PAXFDBWEDQARKP-GOSISDBHSA-N 0 0 419.396 6.187 40 0 HKABRN CCCCc1ccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000030938204 558744814 /nfs/dbraw/zinc/74/48/14/558744814.db2.gz PAXFDBWEDQARKP-SFHVURJKSA-N 0 0 419.396 6.187 40 0 HKABRN CCCCc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000030938235 558744979 /nfs/dbraw/zinc/74/49/79/558744979.db2.gz YJSVQGVKKSRAMX-UHFFFAOYSA-N 0 0 419.396 6.187 40 0 HKABRN CCCCc1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000030938238 558744892 /nfs/dbraw/zinc/74/48/92/558744892.db2.gz DQZJYSPKQWPJDX-UHFFFAOYSA-N 0 0 419.396 6.187 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000030940201 558745417 /nfs/dbraw/zinc/74/54/17/558745417.db2.gz NPROORBLGXPMRY-UHFFFAOYSA-N 0 0 421.368 5.631 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000030940204 558745453 /nfs/dbraw/zinc/74/54/53/558745453.db2.gz KSNKLMSBBYIAQB-UHFFFAOYSA-N 0 0 421.368 5.631 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000030940207 558745449 /nfs/dbraw/zinc/74/54/49/558745449.db2.gz OTUBAPPIBHSZMJ-UHFFFAOYSA-N 0 0 421.368 5.631 40 0 HKABRN CC(C)Oc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000030940375 558745386 /nfs/dbraw/zinc/74/53/86/558745386.db2.gz YTVLQRLULWTHMC-UHFFFAOYSA-N 0 0 421.368 5.631 40 0 HKABRN CC(C)Oc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000030940378 558745393 /nfs/dbraw/zinc/74/53/93/558745393.db2.gz VMGBOXRFMMZTQT-UHFFFAOYSA-N 0 0 421.368 5.631 40 0 HKABRN CC(C)Oc1cccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000030940380 558745372 /nfs/dbraw/zinc/74/53/72/558745372.db2.gz ORUQBEVKUZYZPJ-UHFFFAOYSA-N 0 0 421.368 5.631 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Cn2ccnc2)cc1 ZINC000030943270 558745950 /nfs/dbraw/zinc/74/59/50/558745950.db2.gz SYWVEKPTTWFCGB-UHFFFAOYSA-N 0 0 415.880 5.068 40 0 HKABRN C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000030943711 558745894 /nfs/dbraw/zinc/74/58/94/558745894.db2.gz WCOYJJKWPRFBFQ-FXAWDEMLSA-N 0 0 419.396 5.343 40 0 HKABRN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000030943714 558745988 /nfs/dbraw/zinc/74/59/88/558745988.db2.gz WCOYJJKWPRFBFQ-YLJYHZDGSA-N 0 0 419.396 5.343 40 0 HKABRN C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000030943717 568683383 /nfs/dbraw/zinc/68/33/83/568683383.db2.gz WCOYJJKWPRFBFQ-PXNSSMCTSA-N 0 0 419.396 5.343 40 0 HKABRN C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000030943720 568683425 /nfs/dbraw/zinc/68/34/25/568683425.db2.gz WCOYJJKWPRFBFQ-XLIONFOSSA-N 0 0 419.396 5.343 40 0 HKABRN C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000030943734 558745815 /nfs/dbraw/zinc/74/58/15/558745815.db2.gz WSPBQJJAYHNRJV-PKOBYXMFSA-N 0 0 419.396 5.343 40 0 HKABRN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000030943737 558745847 /nfs/dbraw/zinc/74/58/47/558745847.db2.gz WSPBQJJAYHNRJV-IEBWSBKVSA-N 0 0 419.396 5.343 40 0 HKABRN C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000030943738 569350373 /nfs/dbraw/zinc/35/03/73/569350373.db2.gz WSPBQJJAYHNRJV-HKUYNNGSSA-N 0 0 419.396 5.343 40 0 HKABRN C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000030943740 568683346 /nfs/dbraw/zinc/68/33/46/568683346.db2.gz WSPBQJJAYHNRJV-MJGOQNOKSA-N 0 0 419.396 5.343 40 0 HKABRN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000030943801 558745917 /nfs/dbraw/zinc/74/59/17/558745917.db2.gz VAQCNEQIMOLVCA-KRWDZBQOSA-N 0 0 419.396 5.343 40 0 HKABRN C[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000030943804 558745910 /nfs/dbraw/zinc/74/59/10/558745910.db2.gz VAQCNEQIMOLVCA-QGZVFWFLSA-N 0 0 419.396 5.343 40 0 HKABRN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000030943806 558745959 /nfs/dbraw/zinc/74/59/59/558745959.db2.gz WSZGZJNYFSXDJA-KRWDZBQOSA-N 0 0 419.396 5.343 40 0 HKABRN C[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000030943809 558745838 /nfs/dbraw/zinc/74/58/38/558745838.db2.gz WSZGZJNYFSXDJA-QGZVFWFLSA-N 0 0 419.396 5.343 40 0 HKABRN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000030943812 558745971 /nfs/dbraw/zinc/74/59/71/558745971.db2.gz PTOOZNWNIWNXIC-KRWDZBQOSA-N 0 0 419.396 5.343 40 0 HKABRN C[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000030943815 558745882 /nfs/dbraw/zinc/74/58/82/558745882.db2.gz PTOOZNWNIWNXIC-QGZVFWFLSA-N 0 0 419.396 5.343 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)c3ccc(Cn4ccnc4C)cc3)ccc21 ZINC000030945345 558746195 /nfs/dbraw/zinc/74/61/95/558746195.db2.gz WARKXJFGUKHVIR-UHFFFAOYSA-N 0 0 408.505 5.620 40 0 HKABRN O=C(C1CCN(Cc2ccc(Cl)cc2Cl)CC1)N1CCCc2ccccc21 ZINC000030946789 558746519 /nfs/dbraw/zinc/74/65/19/558746519.db2.gz PLLRYIVSPWMEED-UHFFFAOYSA-N 0 0 403.353 5.185 40 0 HKABRN O=C(C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)N1CCCc2ccccc21 ZINC000030946792 558746570 /nfs/dbraw/zinc/74/65/70/558746570.db2.gz HBAXXFKNMPIEHO-UHFFFAOYSA-N 0 0 403.353 5.185 40 0 HKABRN O=C(C1CCN(Cc2c(Cl)cccc2Cl)CC1)N1CCCc2ccccc21 ZINC000030946794 558746566 /nfs/dbraw/zinc/74/65/66/558746566.db2.gz FNSSYXFBPSDMLX-UHFFFAOYSA-N 0 0 403.353 5.185 40 0 HKABRN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Cn2ccnc2)cc1 ZINC000030947149 558746786 /nfs/dbraw/zinc/74/67/86/558746786.db2.gz WMZOTKHBFMBVFG-UHFFFAOYSA-N 0 0 411.549 5.652 40 0 HKABRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000031165761 291289117 /nfs/dbraw/zinc/28/91/17/291289117.db2.gz LIIFBMGUDSHTOU-CFYIDONUSA-N 0 0 424.713 8.377 40 0 biogenic,in-vitro HKABRN COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]1CC[C@]13C=C[C@](C)(C1)CC[C@H]32 ZINC000031165839 291293093 /nfs/dbraw/zinc/29/30/93/291293093.db2.gz CNEWEMXPRRKCTL-KLDKJETLSA-N 0 0 402.575 5.452 40 0 biogenic,in-vitro HKABRN COC(=O)CCC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@]4(C)C=C[C@]3(C4)CC[C@@H]12 ZINC000031165842 291293039 /nfs/dbraw/zinc/29/30/39/291293039.db2.gz CNEWEMXPRRKCTL-UATDTJQXSA-N 0 0 402.575 5.452 40 0 biogenic,in-vitro HKABRN Oc1cc(O)cc(CCCCC/C=C\CCCCCCCc2cc(O)cc(O)c2)c1 ZINC000031167312 291298878 /nfs/dbraw/zinc/29/88/78/291298878.db2.gz INRCFVYVWPWZJS-IWQZZHSRSA-N 0 0 412.570 6.751 40 0 biogenic,in-vitro HKABRN Cc1c(COC(=O)[C@H]2[C@@H](/C=C(/Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1 ZINC000031274539 558749098 /nfs/dbraw/zinc/74/90/98/558749098.db2.gz OMFRMAHOUUJSGP-OYYQYXLBSA-N 0 0 422.874 6.662 40 0 HKABRN C[C@H](/C=C\[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C ZINC000031302857 569350391 /nfs/dbraw/zinc/35/03/91/569350391.db2.gz BPKAHTKRCLCHEA-DCUJIKHJSA-N 0 0 416.646 5.561 40 0 HKABRN CCCC[C@@H](CC)COC(=O)CCSCCC(=O)OC[C@@H](CC)CCCC ZINC000031362369 558750357 /nfs/dbraw/zinc/75/03/57/558750357.db2.gz NKNLSBYMGKTWDT-BGYRXZFFSA-N 0 0 402.641 6.019 40 0 HKABRN COc1ccc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C\C2=C(C)CCCC2(C)C)cc1 ZINC000031425011 569350434 /nfs/dbraw/zinc/35/04/34/569350434.db2.gz DBQHWMPFMCOGIW-RYCBKSCRSA-N 0 0 405.582 7.165 40 0 HKABRN Nc1c(Cl)cc(-c2cc(Cl)c(N)c(Br)c2)cc1Br ZINC000031439506 569027317 /nfs/dbraw/zinc/02/73/17/569027317.db2.gz PJPFXYSJCFZWNF-UHFFFAOYSA-N 0 0 410.924 5.350 40 0 HKABRN C[C@H](c1ccccc1)N1COc2cc3c(cc2C1)OCN([C@@H](C)c1ccccc1)C3 ZINC000031628933 558751419 /nfs/dbraw/zinc/75/14/19/558751419.db2.gz ZNAJPOXHIBRONX-BGYRXZFFSA-N 0 0 400.522 5.513 40 0 HKABRN C[C@@H](c1ccccc1)N1COc2cc3c(cc2C1)OCN([C@@H](C)c1ccccc1)C3 ZINC000031628937 558751451 /nfs/dbraw/zinc/75/14/51/558751451.db2.gz ZNAJPOXHIBRONX-PMACEKPBSA-N 0 0 400.522 5.513 40 0 HKABRN C[C@H](c1ccccc1)N1COc2cc3c(cc2C1)CN([C@@H](C)c1ccccc1)CO3 ZINC000031628940 560756907 /nfs/dbraw/zinc/75/69/07/560756907.db2.gz VQIMBTRUSRMLDH-BGYRXZFFSA-N 0 0 400.522 5.513 40 0 HKABRN C[C@@H](c1ccccc1)N1COc2cc3c(cc2C1)CN([C@@H](C)c1ccccc1)CO3 ZINC000031628942 560756895 /nfs/dbraw/zinc/75/68/95/560756895.db2.gz VQIMBTRUSRMLDH-PMACEKPBSA-N 0 0 400.522 5.513 40 0 HKABRN c1ccc(CN[C@H]2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000031638224 558751621 /nfs/dbraw/zinc/75/16/21/558751621.db2.gz UQNIZCLCTUZFFG-WUFINQPMSA-N 0 0 403.529 5.811 40 0 HKABRN c1ccc(CN[C@@H]2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000031638227 558751580 /nfs/dbraw/zinc/75/15/80/558751580.db2.gz UQNIZCLCTUZFFG-VSGBNLITSA-N 0 0 403.529 5.811 40 0 HKABRN c1ccc(CN[C@H]2C(c3ccccc3)=NN(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000031638231 558751600 /nfs/dbraw/zinc/75/16/00/558751600.db2.gz UQNIZCLCTUZFFG-NSOVKSMOSA-N 0 0 403.529 5.811 40 0 HKABRN c1ccc(CN[C@@H]2C(c3ccccc3)=NN(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000031638234 558751625 /nfs/dbraw/zinc/75/16/25/558751625.db2.gz UQNIZCLCTUZFFG-IZLXSDGUSA-N 0 0 403.529 5.811 40 0 HKABRN c1ccc(CN2COc3c4ccccc4c4c(c3C2)CN(Cc2ccccc2)CO4)cc1 ZINC000031658774 558751643 /nfs/dbraw/zinc/75/16/43/558751643.db2.gz BDHIZHPIQURMAP-UHFFFAOYSA-N 0 0 422.528 5.544 40 0 HKABRN c1ccc(CN2COc3ccc4ccc5c(c4c3C2)CN(Cc2ccccc2)CO5)cc1 ZINC000031666695 558751937 /nfs/dbraw/zinc/75/19/37/558751937.db2.gz MHBIQHGBNITKBD-UHFFFAOYSA-N 0 0 422.528 5.544 40 0 HKABRN Clc1ccc(SCN(CSc2ccc(Cl)cc2)Cc2ccccc2)cc1 ZINC000031670201 558751915 /nfs/dbraw/zinc/75/19/15/558751915.db2.gz SPSAUKAJDRGLHB-UHFFFAOYSA-N 0 0 420.430 7.295 40 0 HKABRN Cc1ccccc1SCN(CSc1ccccc1C)C(C)(C)CC(C)(C)C ZINC000031670216 558751860 /nfs/dbraw/zinc/75/18/60/558751860.db2.gz UVKJJMXATATNND-UHFFFAOYSA-N 0 0 401.685 7.620 40 0 HKABRN Brc1ccc([C@@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716542 560757534 /nfs/dbraw/zinc/75/75/34/560757534.db2.gz IRGYIDPXYHPMEG-BJKOFHAPSA-N 0 0 416.318 6.373 40 0 HKABRN Brc1ccc([C@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716545 560757549 /nfs/dbraw/zinc/75/75/49/560757549.db2.gz IRGYIDPXYHPMEG-ZEQRLZLVSA-N 0 0 416.318 6.373 40 0 HKABRN Brc1ccc([C@@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716548 560757559 /nfs/dbraw/zinc/75/75/59/560757559.db2.gz IRGYIDPXYHPMEG-DNQXCXABSA-N 0 0 416.318 6.373 40 0 HKABRN Brc1ccc([C@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716551 560757553 /nfs/dbraw/zinc/75/75/53/560757553.db2.gz IRGYIDPXYHPMEG-RPWUZVMVSA-N 0 0 416.318 6.373 40 0 HKABRN Clc1ccc([C@@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1Cl ZINC000031716565 560757538 /nfs/dbraw/zinc/75/75/38/560757538.db2.gz PKYMTSJXAMCLLY-BJKOFHAPSA-N 0 0 406.312 6.917 40 0 HKABRN Clc1ccc([C@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1Cl ZINC000031716568 560757546 /nfs/dbraw/zinc/75/75/46/560757546.db2.gz PKYMTSJXAMCLLY-ZEQRLZLVSA-N 0 0 406.312 6.917 40 0 HKABRN Clc1ccc([C@@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1Cl ZINC000031716571 560757551 /nfs/dbraw/zinc/75/75/51/560757551.db2.gz PKYMTSJXAMCLLY-DNQXCXABSA-N 0 0 406.312 6.917 40 0 HKABRN Clc1ccc([C@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1Cl ZINC000031716574 560757555 /nfs/dbraw/zinc/75/75/55/560757555.db2.gz PKYMTSJXAMCLLY-RPWUZVMVSA-N 0 0 406.312 6.917 40 0 HKABRN O=C(/C=C\c1ccccc1)N(C(=O)/C=C\c1ccccc1)C(=O)/C=C\c1ccccc1 ZINC000031716810 558752143 /nfs/dbraw/zinc/75/21/43/558752143.db2.gz GGOUTAXSTICLOM-JFJOQQEJSA-N 0 0 407.469 5.008 40 0 HKABRN COc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2/C=C\c2ccc(Cl)cc2)cc1 ZINC000031771950 558752354 /nfs/dbraw/zinc/75/23/54/558752354.db2.gz RFALBESTBSCGMQ-VEKXRIONSA-N 0 0 414.892 5.848 40 0 HKABRN O=C(CCN(CCC(=O)c1ccccc1)CCC(=O)c1ccccc1)c1ccccc1 ZINC000031772661 558752421 /nfs/dbraw/zinc/75/24/21/558752421.db2.gz AZDCRHWRAARDET-UHFFFAOYSA-N 0 0 413.517 5.107 40 0 HKABRN O=C(N/C=C(/c1ccccc1)[S@@](=O)Cc1ccccc1)Nc1ccccc1Cl ZINC000031853185 527434778 /nfs/dbraw/zinc/43/47/78/527434778.db2.gz OXHRPTPKWHJDAN-USPYDQLOSA-N 0 0 410.926 5.409 40 0 HKABRN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1ccc(C)cc1C ZINC000031903363 521113463 /nfs/dbraw/zinc/11/34/63/521113463.db2.gz GFDDPVZTFNCGCC-JOCHJYFZSA-N 0 0 405.542 5.196 40 0 HKABRN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1ccc(C)cc1C ZINC000031903364 521119419 /nfs/dbraw/zinc/11/94/19/521119419.db2.gz GFDDPVZTFNCGCC-QFIPXVFZSA-N 0 0 405.542 5.196 40 0 HKABRN Cc1ccc(C(C)C)c(OCCCCn2c3ccccc3nc2CN2CCCCC2)c1 ZINC000031903416 526247941 /nfs/dbraw/zinc/24/79/41/526247941.db2.gz KAKIVQVGUZOTRB-UHFFFAOYSA-N 0 0 419.613 6.313 40 0 HKABRN Cc1ccc(OCCCCn2c(COc3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000031903428 525411841 /nfs/dbraw/zinc/41/18/41/525411841.db2.gz GEKCBSBHFHKDKE-UHFFFAOYSA-N 0 0 420.940 6.436 40 0 HKABRN Cc1ccccc1OCCCn1c(Cc2cccc3ccccc32)nc2ccccc21 ZINC000031903431 525293322 /nfs/dbraw/zinc/29/33/22/525293322.db2.gz XHABUEIHNMKSDB-UHFFFAOYSA-N 0 0 406.529 6.558 40 0 HKABRN O=C1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CN1CCc1ccccc1 ZINC000031903446 527026383 /nfs/dbraw/zinc/02/63/83/527026383.db2.gz HBJLAWZKIILBEV-HSZRJFAPSA-N 0 0 415.581 5.565 40 0 HKABRN O=C1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CN1CCc1ccccc1 ZINC000031903447 527034164 /nfs/dbraw/zinc/03/41/64/527034164.db2.gz HBJLAWZKIILBEV-QHCPKHFHSA-N 0 0 415.581 5.565 40 0 HKABRN CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2[C@@H](C)c2ccccc2)CC1=O ZINC000031903462 521855123 /nfs/dbraw/zinc/85/51/23/521855123.db2.gz QXMPFCADAFNWQE-UGKGYDQZSA-N 0 0 409.533 5.729 40 0 HKABRN CCc1ccccc1N1C[C@H](c2nc3ccccc3n2[C@@H](C)c2ccccc2)CC1=O ZINC000031903463 521857996 /nfs/dbraw/zinc/85/79/96/521857996.db2.gz QXMPFCADAFNWQE-SIKLNZKXSA-N 0 0 409.533 5.729 40 0 HKABRN CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2[C@H](C)c2ccccc2)CC1=O ZINC000031903464 521856177 /nfs/dbraw/zinc/85/61/77/521856177.db2.gz QXMPFCADAFNWQE-KNQAVFIVSA-N 0 0 409.533 5.729 40 0 HKABRN CCc1ccccc1N1C[C@H](c2nc3ccccc3n2[C@H](C)c2ccccc2)CC1=O ZINC000031903465 521858846 /nfs/dbraw/zinc/85/88/46/521858846.db2.gz QXMPFCADAFNWQE-DENIHFKCSA-N 0 0 409.533 5.729 40 0 HKABRN Cc1ccccc1OCc1nc2ccccc2n1C[C@@H](O)COc1ccccc1Cl ZINC000031903630 525316799 /nfs/dbraw/zinc/31/67/99/525316799.db2.gz YIWGYSIWJWDBDE-GOSISDBHSA-N 0 0 422.912 5.017 40 0 HKABRN Cc1ccccc1OCc1nc2ccccc2n1C[C@H](O)COc1ccccc1Cl ZINC000031903631 525317155 /nfs/dbraw/zinc/31/71/55/525317155.db2.gz YIWGYSIWJWDBDE-SFHVURJKSA-N 0 0 422.912 5.017 40 0 HKABRN Cc1cc(C)c(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3C)C2)c(C)c1 ZINC000031903634 524277125 /nfs/dbraw/zinc/27/71/25/524277125.db2.gz XURNRRNGWIBIGW-QFIPXVFZSA-N 0 0 423.560 5.839 40 0 HKABRN Cc1cc(C)c(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3C)C2)c(C)c1 ZINC000031903635 524276020 /nfs/dbraw/zinc/27/60/20/524276020.db2.gz XURNRRNGWIBIGW-JOCHJYFZSA-N 0 0 423.560 5.839 40 0 HKABRN CCCCOc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)c2ccccc12 ZINC000031904027 569350393 /nfs/dbraw/zinc/35/03/93/569350393.db2.gz ZOPUUQKEGSRLHU-UHFFFAOYSA-N 0 0 408.523 5.222 40 0 HKABRN N[C@@H](Cc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000031939058 527338136 /nfs/dbraw/zinc/33/81/36/527338136.db2.gz NDLKVNXPSRMINB-QMMMGPOBSA-N 0 0 413.515 5.429 40 0 HKABRN O=C(CNCc1ccccc1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000031947329 526883541 /nfs/dbraw/zinc/88/35/41/526883541.db2.gz TZCSGSGZPKDXGC-UHFFFAOYSA-N 0 0 413.515 5.649 40 0 HKABRN Cc1ccc(SCC(=O)Nc2cc(Br)ccc2Br)cc1 ZINC000031950637 569350381 /nfs/dbraw/zinc/35/03/81/569350381.db2.gz BTBRQGXEWQIHII-UHFFFAOYSA-N 0 0 415.150 5.251 40 0 HKABRN Cc1cc2nc(-c3ccc(Cl)c(NC(=O)C(Cl)(Cl)Cl)c3)oc2c(C)c1 ZINC000032109309 525666350 /nfs/dbraw/zinc/66/63/50/525666350.db2.gz YXNJAIYJGABYKX-UHFFFAOYSA-N 0 0 418.107 6.074 40 0 HKABRN CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)C(Cl)(Cl)Cl)c3)nc2c1 ZINC000032109310 524060809 /nfs/dbraw/zinc/06/08/09/524060809.db2.gz ZIYNOQHVTSRXDM-UHFFFAOYSA-N 0 0 418.107 6.019 40 0 HKABRN O=C1NC(=S)SC1=Cc1ccccc1OCCCOc1ccc(Cl)cc1 ZINC000032109510 527514674 /nfs/dbraw/zinc/51/46/74/527514674.db2.gz CTTCDDKMPHBECC-ATVHPVEESA-N 0 0 405.928 5.517 40 0 HKABRN COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1ccccc1F ZINC000032109514 521977515 /nfs/dbraw/zinc/97/75/15/521977515.db2.gz UCTPPAMFXOGWSC-NVNXTCNLSA-N 0 0 409.891 5.396 40 0 HKABRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1ccccc1F ZINC000032109515 520635679 /nfs/dbraw/zinc/63/56/79/520635679.db2.gz ZKHXHISPVYPSRB-SXGWCWSVSA-N 0 0 423.918 5.786 40 0 HKABRN C[C@@H](c1ccccc1)c1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 ZINC000032109930 526099268 /nfs/dbraw/zinc/09/92/68/526099268.db2.gz PGZRBRVDKXUPES-SFHVURJKSA-N 0 0 414.574 5.731 40 0 HKABRN C[C@H](c1ccccc1)c1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 ZINC000032109931 526108187 /nfs/dbraw/zinc/10/81/87/526108187.db2.gz PGZRBRVDKXUPES-GOSISDBHSA-N 0 0 414.574 5.731 40 0 HKABRN Cc1cc(NC(=O)c2cccc3ccccc32)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032111968 558753703 /nfs/dbraw/zinc/75/37/03/558753703.db2.gz OQVMNXRSPHYEGC-UHFFFAOYSA-N 0 0 420.468 6.399 40 0 HKABRN COc1cccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1 ZINC000032114879 558753749 /nfs/dbraw/zinc/75/37/49/558753749.db2.gz AFHPHEUPJDLVOD-UHFFFAOYSA-N 0 0 414.795 5.687 40 0 HKABRN CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000032114974 518572101 /nfs/dbraw/zinc/57/21/01/518572101.db2.gz PHNMSQRTZYWPPZ-UHFFFAOYSA-N 0 0 423.872 5.286 40 0 HKABRN CCCCC(=O)Nc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1OC ZINC000032114989 519915080 /nfs/dbraw/zinc/91/50/80/519915080.db2.gz UCHUYYYDBPAMQI-UHFFFAOYSA-N 0 0 412.530 5.139 40 0 HKABRN O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cccc(F)c1 ZINC000032115011 527305221 /nfs/dbraw/zinc/30/52/21/527305221.db2.gz MCSAQOGJRQZCHK-UHFFFAOYSA-N 0 0 402.759 5.818 40 0 HKABRN O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccccc1F ZINC000032115085 527305078 /nfs/dbraw/zinc/30/50/78/527305078.db2.gz DHQPEAUVAPWPBO-UHFFFAOYSA-N 0 0 402.759 5.818 40 0 HKABRN O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccc(F)cc1 ZINC000032115103 527304262 /nfs/dbraw/zinc/30/42/62/527304262.db2.gz XEDCSVLONKIWTD-UHFFFAOYSA-N 0 0 402.759 5.818 40 0 HKABRN O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccccc1Cl ZINC000032115114 527305362 /nfs/dbraw/zinc/30/53/62/527305362.db2.gz IAMPOGXMMWBKIH-UHFFFAOYSA-N 0 0 419.214 6.332 40 0 HKABRN CCCCC(=O)Nc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000032115201 519915122 /nfs/dbraw/zinc/91/51/22/519915122.db2.gz NHMYDURASXYMOT-UHFFFAOYSA-N 0 0 418.921 5.112 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1C ZINC000032115276 526223720 /nfs/dbraw/zinc/22/37/20/526223720.db2.gz OEFASDDGOPJTMI-UHFFFAOYSA-N 0 0 412.823 6.296 40 0 HKABRN CC(C)CC(=O)NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000032115324 519584489 /nfs/dbraw/zinc/58/44/89/519584489.db2.gz RTJCTDQMLOCUQS-UHFFFAOYSA-N 0 0 423.872 5.286 40 0 HKABRN CCCCC(=O)NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000032115336 519910533 /nfs/dbraw/zinc/91/05/33/519910533.db2.gz RJXVOIUWJDVYQW-UHFFFAOYSA-N 0 0 423.872 5.430 40 0 HKABRN CCCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1OC ZINC000032115381 519914651 /nfs/dbraw/zinc/91/46/51/519914651.db2.gz LSNMNGAZGNYSFZ-UHFFFAOYSA-N 0 0 406.482 5.238 40 0 HKABRN CCCCC(=O)Nc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1OC ZINC000032115382 519914864 /nfs/dbraw/zinc/91/48/64/519914864.db2.gz QNYZLWSNLHKBSU-UHFFFAOYSA-N 0 0 416.521 5.595 40 0 HKABRN O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccc(Cl)cc1 ZINC000032115454 527304470 /nfs/dbraw/zinc/30/44/70/527304470.db2.gz RZOOYVDKDTWQQQ-UHFFFAOYSA-N 0 0 419.214 6.332 40 0 HKABRN O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000032115536 527640509 /nfs/dbraw/zinc/64/05/09/527640509.db2.gz TXQLUCXPADZWBH-GQCTYLIASA-N 0 0 400.768 5.671 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3o2)cc1C ZINC000032116417 525824312 /nfs/dbraw/zinc/82/43/12/525824312.db2.gz UBEWBXOKGBPNDT-UHFFFAOYSA-N 0 0 419.481 5.378 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(Br)cc4)ccc3o2)cc1C ZINC000032116488 525822537 /nfs/dbraw/zinc/82/25/37/525822537.db2.gz BDLLCIJDUFUZAR-UHFFFAOYSA-N 0 0 421.294 6.126 40 0 HKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 ZINC000032116600 522269856 /nfs/dbraw/zinc/26/98/56/522269856.db2.gz HPFFWJCYTGFTMP-GOSISDBHSA-N 0 0 414.505 6.541 40 0 HKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 ZINC000032116601 521773577 /nfs/dbraw/zinc/77/35/77/521773577.db2.gz HPFFWJCYTGFTMP-SFHVURJKSA-N 0 0 414.505 6.541 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)COc4ccc5ccccc5c4)ccc3o2)cc1C ZINC000032116681 525823143 /nfs/dbraw/zinc/82/31/43/525823143.db2.gz ADHCTDCAMAWBHM-UHFFFAOYSA-N 0 0 422.484 6.282 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)CSc4ccc(Cl)cc4)ccc3o2)cc1C ZINC000032116736 525823224 /nfs/dbraw/zinc/82/32/24/525823224.db2.gz DJTODXMSKWUGPV-UHFFFAOYSA-N 0 0 422.937 6.496 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)COc4cccc5ccccc54)ccc3o2)cc1C ZINC000032116753 525823050 /nfs/dbraw/zinc/82/30/50/525823050.db2.gz LMWCKQRVXPCOEO-UHFFFAOYSA-N 0 0 422.484 6.282 40 0 HKABRN CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 ZINC000032116799 522262802 /nfs/dbraw/zinc/26/28/02/522262802.db2.gz XUGWVKSBQMMAIZ-GOSISDBHSA-N 0 0 414.505 6.541 40 0 HKABRN CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 ZINC000032116800 521769334 /nfs/dbraw/zinc/76/93/34/521769334.db2.gz XUGWVKSBQMMAIZ-SFHVURJKSA-N 0 0 414.505 6.541 40 0 HKABRN CSc1nsc(SCc2ccc(C(=O)Nc3c(C)cccc3C)cc2)n1 ZINC000032117642 526233875 /nfs/dbraw/zinc/23/38/75/526233875.db2.gz UCEDNFQUDATMBE-UHFFFAOYSA-N 0 0 401.582 5.421 40 0 HKABRN Cc1ccc2[nH]c(SCc3ccc(C(=O)Nc4c(C)cccc4C)cc3)nc2c1 ZINC000032117649 526102976 /nfs/dbraw/zinc/10/29/76/526102976.db2.gz YCQPIZVSKAJXAV-UHFFFAOYSA-N 0 0 401.535 6.033 40 0 HKABRN Cc1cccc(C)c1NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000032117661 524296734 /nfs/dbraw/zinc/29/67/34/524296734.db2.gz XKFUOJSJMJRXRU-UHFFFAOYSA-N 0 0 404.560 6.458 40 0 HKABRN COc1ccc2[nH]c(SCc3ccc(C(=O)Nc4c(C)cccc4C)cc3)nc2c1 ZINC000032117671 525480725 /nfs/dbraw/zinc/48/07/25/525480725.db2.gz SGTSKANMENHVCZ-UHFFFAOYSA-N 0 0 417.534 5.733 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)c1sc2nc(C(F)(F)F)cc(C)c2c1N ZINC000032117761 524242362 /nfs/dbraw/zinc/24/23/62/524242362.db2.gz WOAMDQVMNRPNLV-UHFFFAOYSA-N 0 0 415.824 5.120 40 0 HKABRN Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3ccc(F)c(Cl)c3)c(N)c21 ZINC000032117766 524205709 /nfs/dbraw/zinc/20/57/09/524205709.db2.gz SGTQCCJNQPXMSJ-UHFFFAOYSA-N 0 0 403.788 5.251 40 0 HKABRN Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3ccccc3C(F)(F)F)c(N)c21 ZINC000032117770 524205113 /nfs/dbraw/zinc/20/51/13/524205113.db2.gz LOSXCTYIQWUQHT-UHFFFAOYSA-N 0 0 419.350 5.477 40 0 HKABRN COc1ccc(NC(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)cc1Cl ZINC000032117831 524661814 /nfs/dbraw/zinc/66/18/14/524661814.db2.gz YMXPEMLINYCODU-UHFFFAOYSA-N 0 0 415.824 5.120 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(CSc3cccc4cccnc43)cc2)cc1Cl ZINC000032117944 525236834 /nfs/dbraw/zinc/23/68/34/525236834.db2.gz MXXOUWZITPLMLZ-UHFFFAOYSA-N 0 0 418.949 6.741 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc1Cl ZINC000032117954 525237106 /nfs/dbraw/zinc/23/71/06/525237106.db2.gz KYPGSGQMEJFGEH-UHFFFAOYSA-N 0 0 424.978 6.803 40 0 HKABRN CSc1nsc(SCc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)n1 ZINC000032117956 526234334 /nfs/dbraw/zinc/23/43/34/526234334.db2.gz ZOUCNEXUCUAIJN-UHFFFAOYSA-N 0 0 422.000 5.766 40 0 HKABRN Cc1ccc2[nH]c(SCc3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)nc2c1 ZINC000032117964 526100665 /nfs/dbraw/zinc/10/06/65/526100665.db2.gz UELGIQLMMKERMD-UHFFFAOYSA-N 0 0 421.953 6.378 40 0 HKABRN CCCCc1ccc2nc(NC(=O)COc3ccc(C4CCCCC4)cc3)sc2c1 ZINC000032118565 521289083 /nfs/dbraw/zinc/28/90/83/521289083.db2.gz WLSNTEGACLEYCJ-UHFFFAOYSA-N 0 0 422.594 6.704 40 0 HKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)sc2c1 ZINC000032118583 571306940 /nfs/dbraw/zinc/30/69/40/571306940.db2.gz PBEMLDAVVHOHCS-UHFFFAOYSA-N 0 0 411.596 5.889 40 0 HKABRN CCCCc1ccc2nc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)sc2c1 ZINC000032118597 571306907 /nfs/dbraw/zinc/30/69/07/571306907.db2.gz IKFZWLDIRGZLGL-UHFFFAOYSA-N 0 0 417.987 5.348 40 0 HKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3cc4ccccc4o3)sc2c1 ZINC000032118615 571306936 /nfs/dbraw/zinc/30/69/36/571306936.db2.gz JIIOPXHCWHQDRA-UHFFFAOYSA-N 0 0 409.536 5.512 40 0 HKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccccc3Cl)sc2c1 ZINC000032118657 571306900 /nfs/dbraw/zinc/30/69/00/571306900.db2.gz SBRUICRWYZKQRU-UHFFFAOYSA-N 0 0 403.960 5.419 40 0 HKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(Cl)cc3)sc2c1 ZINC000032118693 571306930 /nfs/dbraw/zinc/30/69/30/571306930.db2.gz XGFILINLWJHKDA-UHFFFAOYSA-N 0 0 403.960 5.419 40 0 HKABRN O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(-c2cccc(Cl)c2)o1 ZINC000032118749 527457669 /nfs/dbraw/zinc/45/76/69/527457669.db2.gz BIZGSIZJZKAHEM-UHFFFAOYSA-N 0 0 414.958 5.029 40 0 HKABRN CCCCc1ccc2nc(NC(=O)COc3ccc(Br)cc3)sc2c1 ZINC000032118753 521288311 /nfs/dbraw/zinc/28/83/11/521288311.db2.gz UBCLFRYRQWJVKC-UHFFFAOYSA-N 0 0 419.344 5.419 40 0 HKABRN CCCCc1ccc2nc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)sc2c1 ZINC000032118907 521288425 /nfs/dbraw/zinc/28/84/25/521288425.db2.gz PDKRXNSBPCLKSE-UHFFFAOYSA-N 0 0 410.926 6.805 40 0 HKABRN O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000032118919 527458737 /nfs/dbraw/zinc/45/87/37/527458737.db2.gz KCSFBOLTRPYMKY-UHFFFAOYSA-N 0 0 414.958 5.029 40 0 HKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(C)c(Cl)c3)sc2c1 ZINC000032118958 571306915 /nfs/dbraw/zinc/30/69/15/571306915.db2.gz WCEMVCPEMLLXMJ-UHFFFAOYSA-N 0 0 417.987 5.728 40 0 HKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc4ccccc4c3)sc2c1 ZINC000032118965 571306878 /nfs/dbraw/zinc/30/68/78/571306878.db2.gz XUXUCHCCQSEEKY-UHFFFAOYSA-N 0 0 419.575 5.919 40 0 HKABRN CCCCc1ccc2nc(NC(=O)COc3cc(C)c(Cl)c(C)c3)sc2c1 ZINC000032119054 521287813 /nfs/dbraw/zinc/28/78/13/521287813.db2.gz XQNNEBKDISYENC-UHFFFAOYSA-N 0 0 402.947 5.927 40 0 HKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc(OCC)c3)sc2c1 ZINC000032119091 571306860 /nfs/dbraw/zinc/30/68/60/571306860.db2.gz REKWGQOTNLPZGB-UHFFFAOYSA-N 0 0 413.568 5.164 40 0 HKABRN CCCCc1ccc2nc(NC(=O)c3cc(Br)ccc3Cl)sc2c1 ZINC000032119097 521288041 /nfs/dbraw/zinc/28/80/41/521288041.db2.gz DPHSKHFMEFLCMH-UHFFFAOYSA-N 0 0 423.763 6.307 40 0 HKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc(Cl)c3)sc2c1 ZINC000032119149 571306951 /nfs/dbraw/zinc/30/69/51/571306951.db2.gz FTEMFLALNCVWOX-UHFFFAOYSA-N 0 0 403.960 5.419 40 0 HKABRN CCCCc1ccc2nc(NC(=O)COc3ccc(Cl)cc3Cl)sc2c1 ZINC000032119202 521287945 /nfs/dbraw/zinc/28/79/45/521287945.db2.gz WFMAUFQBDXNQLJ-UHFFFAOYSA-N 0 0 409.338 5.963 40 0 HKABRN CCCCc1ccc2nc(NC(=O)c3ccc(OC)c(Br)c3)sc2c1 ZINC000032119210 521288353 /nfs/dbraw/zinc/28/83/53/521288353.db2.gz IZXLTSPPGSUGRD-UHFFFAOYSA-N 0 0 419.344 5.662 40 0 HKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(OCC)cc3)sc2c1 ZINC000032119235 521288054 /nfs/dbraw/zinc/28/80/54/521288054.db2.gz GKSVZLAOEKWNDX-UHFFFAOYSA-N 0 0 413.568 5.164 40 0 HKABRN Cc1cc(NC(=O)Cn2ccc3cc(Br)ccc32)ccc1Br ZINC000032124589 525164893 /nfs/dbraw/zinc/16/48/93/525164893.db2.gz LRXGACBPTRLBOG-UHFFFAOYSA-N 0 0 422.120 5.113 40 0 HKABRN Brc1ccc2c(ccn2Cc2ccc(I)cc2)c1 ZINC000032124750 518217145 /nfs/dbraw/zinc/21/71/45/518217145.db2.gz HGTZXIMQKWAVOY-UHFFFAOYSA-N 0 0 412.068 5.057 40 0 HKABRN Cc1cc(Br)ccc1NC(=O)Cn1ccc2cc(Br)ccc21 ZINC000032124784 526171579 /nfs/dbraw/zinc/17/15/79/526171579.db2.gz UFZHUMUOQIEGKY-UHFFFAOYSA-N 0 0 422.120 5.113 40 0 HKABRN CC1CCN(c2ccc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC000032125051 521042847 /nfs/dbraw/zinc/04/28/47/521042847.db2.gz CUEZDVDHUBYPTH-UHFFFAOYSA-N 0 0 422.381 5.357 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c(C)c1 ZINC000032125115 526145957 /nfs/dbraw/zinc/14/59/57/526145957.db2.gz NBKHLBOMCSXJKS-UHFFFAOYSA-N 0 0 419.481 5.378 40 0 HKABRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000032125154 521043936 /nfs/dbraw/zinc/04/39/36/521043936.db2.gz DLROVLAVLXQVHJ-UHFFFAOYSA-N 0 0 422.381 5.357 40 0 HKABRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000032125201 521043304 /nfs/dbraw/zinc/04/33/04/521043304.db2.gz ZRCKOVVIDSJQLP-UHFFFAOYSA-N 0 0 422.381 5.357 40 0 HKABRN CC1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000032125353 521043619 /nfs/dbraw/zinc/04/36/19/521043619.db2.gz QVLDSYXVGUBUHF-UHFFFAOYSA-N 0 0 422.381 5.357 40 0 HKABRN Cc1cc(I)cnc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000032125362 525012652 /nfs/dbraw/zinc/01/26/52/525012652.db2.gz IPMWUWOMHMAFHG-UHFFFAOYSA-N 0 0 422.653 5.054 40 0 HKABRN CCCOc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1 ZINC000032126217 520337962 /nfs/dbraw/zinc/33/79/62/520337962.db2.gz BTJZCNQISHCKHX-UHFFFAOYSA-N 0 0 422.484 6.689 40 0 HKABRN COc1cc2sc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)nc2cc1Cl ZINC000032126257 523072615 /nfs/dbraw/zinc/07/26/15/523072615.db2.gz JDRIMLQKCTYNCB-HWKANZROSA-N 0 0 413.713 5.917 40 0 HKABRN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000032126341 527509467 /nfs/dbraw/zinc/50/94/67/527509467.db2.gz TVMFIMDILUHGST-UHFFFAOYSA-N 0 0 423.708 6.769 40 0 HKABRN O=C(NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1ccco1 ZINC000032126350 527460673 /nfs/dbraw/zinc/46/06/73/527460673.db2.gz IDVUDTLNITUQRB-UHFFFAOYSA-N 0 0 413.458 5.368 40 0 HKABRN COc1cc2sc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)nc2cc1Cl ZINC000032126442 571308760 /nfs/dbraw/zinc/30/87/60/571308760.db2.gz MPOFDVWYBQFKAQ-UHFFFAOYSA-N 0 0 419.959 5.209 40 0 HKABRN COc1cc(OC)cc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)c1 ZINC000032126529 522856275 /nfs/dbraw/zinc/85/62/75/522856275.db2.gz JNRRYQSIFAIZRO-UHFFFAOYSA-N 0 0 424.456 5.918 40 0 HKABRN O=C(NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccc(Cl)cc1 ZINC000032126576 571306706 /nfs/dbraw/zinc/30/67/06/571306706.db2.gz TXLXWKKBAPCEDI-UHFFFAOYSA-N 0 0 416.742 5.383 40 0 HKABRN COc1cc2sc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)nc2cc1Cl ZINC000032126588 523073081 /nfs/dbraw/zinc/07/30/81/523073081.db2.gz YIROMTSHLGJSEH-UHFFFAOYSA-N 0 0 419.289 6.124 40 0 HKABRN CCc1ccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1 ZINC000032126594 524005914 /nfs/dbraw/zinc/00/59/14/524005914.db2.gz URDAQSGGSROVCN-UHFFFAOYSA-N 0 0 422.484 6.228 40 0 HKABRN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000032126612 527509422 /nfs/dbraw/zinc/50/94/22/527509422.db2.gz QFNJKWRBDOAWGN-UHFFFAOYSA-N 0 0 423.708 6.769 40 0 HKABRN Cc1ccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)c(C)c1 ZINC000032126676 525394922 /nfs/dbraw/zinc/39/49/22/525394922.db2.gz YHRFKLCFZLYITC-UHFFFAOYSA-N 0 0 422.484 6.282 40 0 HKABRN COc1cc2sc(NC(=O)c3ccc(OCc4ccccc4)cc3)nc2cc1Cl ZINC000032126703 523074236 /nfs/dbraw/zinc/07/42/36/523074236.db2.gz CFYJIHVTZQRQHC-UHFFFAOYSA-N 0 0 424.909 5.790 40 0 HKABRN CC(C)Oc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1 ZINC000032126712 519778908 /nfs/dbraw/zinc/77/89/08/519778908.db2.gz OMHSOKDNKJKPDK-UHFFFAOYSA-N 0 0 422.484 6.688 40 0 HKABRN COc1cc2sc(NC(=O)c3cccc(OCc4ccccc4)c3)nc2cc1Cl ZINC000032126722 523072026 /nfs/dbraw/zinc/07/20/26/523072026.db2.gz QYKXPNXLULFNBJ-UHFFFAOYSA-N 0 0 424.909 5.790 40 0 HKABRN COc1c(Cl)cc(C(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1Cl ZINC000032126737 521835564 /nfs/dbraw/zinc/83/55/64/521835564.db2.gz RIRXBRZLEGIEJI-UHFFFAOYSA-N 0 0 422.120 6.171 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000032126743 527607350 /nfs/dbraw/zinc/60/73/50/527607350.db2.gz FQFXRWIDUHKPBQ-XNTDXEJSSA-N 0 0 424.887 6.953 40 0 HKABRN Cc1ccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1C ZINC000032126756 525395267 /nfs/dbraw/zinc/39/52/67/525395267.db2.gz WZRQWNGRBHHKPA-UHFFFAOYSA-N 0 0 422.484 6.282 40 0 HKABRN CC(=O)Nc1ccc2nc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)oc2c1 ZINC000032126850 519735382 /nfs/dbraw/zinc/73/53/82/519735382.db2.gz GSRLDWIZVMPLSY-UHFFFAOYSA-N 0 0 420.277 5.560 40 0 HKABRN Cc1cccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)c1C ZINC000032126893 524721106 /nfs/dbraw/zinc/72/11/06/524721106.db2.gz WSHRQCXGBXNEFI-UHFFFAOYSA-N 0 0 422.484 6.282 40 0 HKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000032127082 521839454 /nfs/dbraw/zinc/83/94/54/521839454.db2.gz CELJYBGDPPWDPD-UHFFFAOYSA-N 0 0 422.120 6.171 40 0 HKABRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(Cl)c(Cl)c4)c3)nn12 ZINC000032127112 526423248 /nfs/dbraw/zinc/42/32/48/526423248.db2.gz IHHBISLANCXCEA-UHFFFAOYSA-N 0 0 418.309 5.029 40 0 HKABRN O=C(NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1)c1cc2ccccc2o1 ZINC000032127173 571306655 /nfs/dbraw/zinc/30/66/55/571306655.db2.gz OAUIORRLLYHHQC-UHFFFAOYSA-N 0 0 422.318 5.476 40 0 HKABRN Cc1cc(OCC(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)cc(C)c1Cl ZINC000032127217 525368348 /nfs/dbraw/zinc/36/83/48/525368348.db2.gz DJEBUXMSJFNPEI-UHFFFAOYSA-N 0 0 415.729 5.891 40 0 HKABRN CC(C)Oc1cccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)c1 ZINC000032127232 519782551 /nfs/dbraw/zinc/78/25/51/519782551.db2.gz ZJKKVNNPAPSECG-UHFFFAOYSA-N 0 0 422.484 6.688 40 0 HKABRN COc1ccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1 ZINC000032127255 524935909 /nfs/dbraw/zinc/93/59/09/524935909.db2.gz ZLVFQDJWNBBPAZ-UHFFFAOYSA-N 0 0 424.456 5.674 40 0 HKABRN CC(C)c1ccc(C(=O)NC(=S)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1 ZINC000032127269 571306497 /nfs/dbraw/zinc/30/64/97/571306497.db2.gz VCHVCXBNQQGGKY-UHFFFAOYSA-N 0 0 424.378 5.853 40 0 HKABRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(Cl)cc4Cl)c3)nn12 ZINC000032127315 526423832 /nfs/dbraw/zinc/42/38/32/526423832.db2.gz FYENNAADNDFWBF-UHFFFAOYSA-N 0 0 418.309 5.029 40 0 HKABRN O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1cccc2c(Cl)cccc12 ZINC000032127319 527513980 /nfs/dbraw/zinc/51/39/80/527513980.db2.gz SDRFHYWKHQCDEH-UHFFFAOYSA-N 0 0 423.925 5.192 40 0 HKABRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4cc(Cl)ccc4Cl)c3)nn12 ZINC000032127398 526422934 /nfs/dbraw/zinc/42/29/34/526422934.db2.gz XONLNSHJFPTBEG-UHFFFAOYSA-N 0 0 418.309 5.029 40 0 HKABRN COc1cc2sc(NC(=O)COc3ccc(Cl)cc3Cl)nc2cc1Cl ZINC000032127430 523072228 /nfs/dbraw/zinc/07/22/28/523072228.db2.gz VJBATAWDHLLMGG-UHFFFAOYSA-N 0 0 417.701 5.283 40 0 HKABRN COc1cc2sc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)nc2cc1Cl ZINC000032127487 523074102 /nfs/dbraw/zinc/07/41/02/523074102.db2.gz JVGWUSRNSWBDOB-UHFFFAOYSA-N 0 0 419.289 6.124 40 0 HKABRN COc1cc2sc(NC(=O)c3cc(Cl)cc(Cl)c3OC)nc2cc1Cl ZINC000032127506 523071979 /nfs/dbraw/zinc/07/19/79/523071979.db2.gz RCKJUOWNFPNFBJ-UHFFFAOYSA-N 0 0 417.701 5.526 40 0 HKABRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nn12 ZINC000032127579 526422737 /nfs/dbraw/zinc/42/27/37/526422737.db2.gz DZSBMSFGCPGRPL-UHFFFAOYSA-N 0 0 405.527 5.019 40 0 HKABRN CCCOc1cccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)c1 ZINC000032127587 520446030 /nfs/dbraw/zinc/44/60/30/520446030.db2.gz RIZGQSKJILUQAL-UHFFFAOYSA-N 0 0 422.484 6.689 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000032127652 527607614 /nfs/dbraw/zinc/60/76/14/527607614.db2.gz FYHKOTGGTUFZOL-QHHAFSJGSA-N 0 0 418.132 6.562 40 0 HKABRN O=C(NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccccc1Cl ZINC000032127702 571306652 /nfs/dbraw/zinc/30/66/52/571306652.db2.gz OUBGNSIICPVKPQ-UHFFFAOYSA-N 0 0 416.742 5.383 40 0 HKABRN O=C(NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1ccccc1 ZINC000032127783 527461148 /nfs/dbraw/zinc/46/11/48/527461148.db2.gz XQPCAYLHTRJAAO-UHFFFAOYSA-N 0 0 423.497 5.775 40 0 HKABRN O=C(NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1)c1cccc(Cl)c1 ZINC000032127875 571306714 /nfs/dbraw/zinc/30/67/14/571306714.db2.gz OGSKKIFZMGXSRJ-UHFFFAOYSA-N 0 0 416.742 5.383 40 0 HKABRN COc1cccc(OC)c1C(=O)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000032127877 526218556 /nfs/dbraw/zinc/21/85/56/526218556.db2.gz OOSIJWWIRGOIER-UHFFFAOYSA-N 0 0 424.456 5.918 40 0 HKABRN Cc1cc(C)cc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)c1 ZINC000032127999 524440184 /nfs/dbraw/zinc/44/01/84/524440184.db2.gz ASALKHRNXUOGLY-UHFFFAOYSA-N 0 0 422.484 6.282 40 0 HKABRN Cc1cc2nc(-c3cccc(NC(=O)c4ccccc4Br)c3)oc2cc1C ZINC000032204020 525668744 /nfs/dbraw/zinc/66/87/44/525668744.db2.gz IEAPCZPLHUCLIC-UHFFFAOYSA-N 0 0 421.294 6.126 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1Br)c1ccccc1Br ZINC000032204043 527102295 /nfs/dbraw/zinc/10/22/95/527102295.db2.gz FBUOXWQLPNGRSZ-UHFFFAOYSA-N 0 0 423.026 5.483 40 0 HKABRN O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(-c2ccccc2)cc1 ZINC000032250881 558754309 /nfs/dbraw/zinc/75/43/09/558754309.db2.gz YHTCUUPQEPBRRC-UHFFFAOYSA-N 0 0 402.386 6.999 40 0 HKABRN Cc1ccc(OCc2nnc(NC(=O)c3ccc(-c4ccccc4F)o3)s2)cc1 ZINC000032502375 525451845 /nfs/dbraw/zinc/45/18/45/525451845.db2.gz PFNGJMZEOZMITA-UHFFFAOYSA-N 0 0 409.442 5.077 40 0 HKABRN CCCc1nnc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)s1 ZINC000032502379 521566360 /nfs/dbraw/zinc/56/63/60/521566360.db2.gz YSEJESLTWOHOEJ-UHFFFAOYSA-N 0 0 415.824 5.675 40 0 HKABRN CC(C)c1nnc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)s1 ZINC000032502383 519890250 /nfs/dbraw/zinc/89/02/50/519890250.db2.gz GNIOUOBJSOSCAX-UHFFFAOYSA-N 0 0 415.824 5.846 40 0 HKABRN O=C(Nc1nnc(C2CC2)s1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000032502385 527534605 /nfs/dbraw/zinc/53/46/05/527534605.db2.gz TZFIQMOJILCMGN-UHFFFAOYSA-N 0 0 413.808 5.600 40 0 HKABRN CSc1nnc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)s1 ZINC000032502394 526229176 /nfs/dbraw/zinc/22/91/76/526229176.db2.gz BEWWRQHAHKJVPY-UHFFFAOYSA-N 0 0 419.837 5.445 40 0 HKABRN Cc1ccc(SC[C@@H]2CSc3nc(=O)c4c5c(sc4n32)CCCC5)cc1 ZINC000032594515 525662578 /nfs/dbraw/zinc/66/25/78/525662578.db2.gz LPBBXMFNTIMQRD-CYBMUJFWSA-N 0 0 400.594 5.084 40 0 HKABRN Cc1ccc(SC[C@H]2CSc3nc(=O)c4c5c(sc4n32)CCCC5)cc1 ZINC000032594516 525662115 /nfs/dbraw/zinc/66/21/15/525662115.db2.gz LPBBXMFNTIMQRD-ZDUSSCGKSA-N 0 0 400.594 5.084 40 0 HKABRN O=C1/C(=C/C=C/c2ccccc2)S[C@H](c2ccc(Cl)cc2)N1c1ccc(O)cc1 ZINC000032597788 526938524 /nfs/dbraw/zinc/93/85/24/526938524.db2.gz GYDGQRCPABKTDQ-NDHHZTIMSA-N 0 0 419.933 6.422 40 0 HKABRN O=C1/C(=C/C=C/c2ccccc2)S[C@@H](c2ccc(Cl)cc2)N1c1ccc(O)cc1 ZINC000032597791 526938860 /nfs/dbraw/zinc/93/88/60/526938860.db2.gz GYDGQRCPABKTDQ-QFVGWFHHSA-N 0 0 419.933 6.422 40 0 HKABRN O=C1Nc2ccccc2[C@]12S/C(=C\c1ccccc1)C(=O)N2c1ccc(Cl)cc1 ZINC000032597818 527091527 /nfs/dbraw/zinc/09/15/27/527091527.db2.gz ZTWUJARVEHKLFP-CBIIRDDDSA-N 0 0 418.905 5.266 40 0 HKABRN O=C1Nc2ccccc2[C@@]12S/C(=C\c1ccccc1)C(=O)N2c1ccc(Cl)cc1 ZINC000032597820 527091876 /nfs/dbraw/zinc/09/18/76/527091876.db2.gz ZTWUJARVEHKLFP-QFXXMJIKSA-N 0 0 418.905 5.266 40 0 HKABRN CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C2CC2)cc1 ZINC000032604132 519837146 /nfs/dbraw/zinc/83/71/46/519837146.db2.gz HNHKOQGYHUAZJT-UHFFFAOYSA-N 0 0 410.518 5.273 40 0 HKABRN Fc1ccc(-c2nnc(SCc3ccc(Br)cc3)n2C2CC2)cc1 ZINC000032604135 526317787 /nfs/dbraw/zinc/31/77/87/526317787.db2.gz RTCWBJXDMMQPRX-UHFFFAOYSA-N 0 0 404.308 5.474 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C1CC1 ZINC000032604140 525767781 /nfs/dbraw/zinc/76/77/81/525767781.db2.gz DXGPSDWKRCHUQH-UHFFFAOYSA-N 0 0 416.909 5.112 40 0 HKABRN Cc1cccc(NC(=O)c2c3ccccc3c(N)n2C(=O)c2ccc(Cl)cc2)c1 ZINC000032604254 524659092 /nfs/dbraw/zinc/65/90/92/524659092.db2.gz XUEACWXKEFGEQC-UHFFFAOYSA-N 0 0 403.869 5.126 40 0 HKABRN Fc1ccc(-c2nnc(SCc3cccc(Cl)c3)n2C[C@@H]2CCCO2)cc1 ZINC000032604416 526317471 /nfs/dbraw/zinc/31/74/71/526317471.db2.gz KTAXJARIBKWSGM-SFHVURJKSA-N 0 0 403.910 5.209 40 0 HKABRN Fc1ccc(-c2nnc(SCc3cccc(Cl)c3)n2C[C@H]2CCCO2)cc1 ZINC000032604418 526318067 /nfs/dbraw/zinc/31/80/67/526318067.db2.gz KTAXJARIBKWSGM-GOSISDBHSA-N 0 0 403.910 5.209 40 0 HKABRN Fc1ccc(-c2nnc(SCc3ccccc3Cl)n2C[C@@H]2CCCO2)cc1 ZINC000032604420 526318059 /nfs/dbraw/zinc/31/80/59/526318059.db2.gz SZGKCSHVLRPCFU-KRWDZBQOSA-N 0 0 403.910 5.209 40 0 HKABRN Fc1ccc(-c2nnc(SCc3ccccc3Cl)n2C[C@H]2CCCO2)cc1 ZINC000032604422 526318469 /nfs/dbraw/zinc/31/84/69/526318469.db2.gz SZGKCSHVLRPCFU-QGZVFWFLSA-N 0 0 403.910 5.209 40 0 HKABRN O=C(Nc1cnn(Cc2cccc3ccccc32)c1)Nc1ccccc1C(F)(F)F ZINC000032609578 527492805 /nfs/dbraw/zinc/49/28/05/527492805.db2.gz ZSEXFUDXNOQQFU-UHFFFAOYSA-N 0 0 410.399 5.747 40 0 HKABRN CC(=O)CCC(=O)Nc1cccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c1 ZINC000032609584 519393756 /nfs/dbraw/zinc/39/37/56/519393756.db2.gz LBWAPRPLRODTBN-UHFFFAOYSA-N 0 0 404.253 5.018 40 0 HKABRN COCCCC(=O)Nc1cccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c1 ZINC000032609585 523084470 /nfs/dbraw/zinc/08/44/70/523084470.db2.gz CVUVDSIIQCOLEH-UHFFFAOYSA-N 0 0 406.269 5.076 40 0 HKABRN Cc1ccc(C)c(NC(=O)Nc2nn(Cc3ccccc3F)cc2Br)c1 ZINC000032609644 524152105 /nfs/dbraw/zinc/15/21/05/524152105.db2.gz GIIAHZYSQWYQHO-UHFFFAOYSA-N 0 0 417.282 5.094 40 0 HKABRN Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)C1CCC(C(C)(C)C)CC1 ZINC000032609822 526282581 /nfs/dbraw/zinc/28/25/81/526282581.db2.gz XYBXAZRKOMJKHA-UHFFFAOYSA-N 0 0 419.516 5.606 40 0 HKABRN Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)Nc1cccc2ccccc21 ZINC000032609827 526283354 /nfs/dbraw/zinc/28/33/54/526283354.db2.gz RKWLWPJLVVTQIN-UHFFFAOYSA-N 0 0 422.435 5.612 40 0 HKABRN Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)c1cc(Cl)ccc1Cl ZINC000032609839 526284058 /nfs/dbraw/zinc/28/40/58/526284058.db2.gz XZNSQLSCLPLRGZ-UHFFFAOYSA-N 0 0 408.260 5.235 40 0 HKABRN Cc1ccc(C(=O)Nc2c(C)nn(COc3cccc(C(F)(F)F)c3)c2C)s1 ZINC000032609858 526216629 /nfs/dbraw/zinc/21/66/29/526216629.db2.gz DVODWEFPOYRDII-UHFFFAOYSA-N 0 0 409.433 5.177 40 0 HKABRN Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)CCC1CCCCC1 ZINC000032609859 526284217 /nfs/dbraw/zinc/28/42/17/526284217.db2.gz RWPNISRHULQCHR-UHFFFAOYSA-N 0 0 423.479 5.854 40 0 HKABRN Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)NC1CCCCC1 ZINC000032609873 526282961 /nfs/dbraw/zinc/28/29/61/526282961.db2.gz UTBXWMPHVZFFKL-UHFFFAOYSA-N 0 0 411.333 5.297 40 0 HKABRN Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)CCc1ccccc1 ZINC000032609874 526282382 /nfs/dbraw/zinc/28/23/82/526282382.db2.gz NSVWJTMLVLQQJR-UHFFFAOYSA-N 0 0 418.324 5.415 40 0 HKABRN Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)CCC1CCCC1 ZINC000032609878 526282813 /nfs/dbraw/zinc/28/28/13/526282813.db2.gz HTFQQKQXRZGZLS-UHFFFAOYSA-N 0 0 410.345 5.752 40 0 HKABRN Cc1cc(C(=O)Nc2c(C)nn(COc3ccc(Cl)cc3Cl)c2C)c(C)o1 ZINC000032609880 524159258 /nfs/dbraw/zinc/15/92/58/524159258.db2.gz RSNSJFXIUAQGGM-UHFFFAOYSA-N 0 0 408.285 5.305 40 0 HKABRN Cc1ccc(NC(=O)Nc2nn(Cc3ccccc3F)cc2Br)c(C)c1 ZINC000032609983 525187171 /nfs/dbraw/zinc/18/71/71/525187171.db2.gz MPRLEQGPMDEXIQ-UHFFFAOYSA-N 0 0 417.282 5.094 40 0 HKABRN O=C(Nc1nn(Cc2ccccc2F)cc1Cl)Nc1ccccc1C(F)(F)F ZINC000032610005 527530947 /nfs/dbraw/zinc/53/09/47/527530947.db2.gz GXNCFAVLTMIVQZ-UHFFFAOYSA-N 0 0 412.774 5.387 40 0 HKABRN O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)Nc1ccccc1C(F)(F)F ZINC000032610025 527530857 /nfs/dbraw/zinc/53/08/57/527530857.db2.gz XYYOWIJWJYZQDX-UHFFFAOYSA-N 0 0 412.774 5.387 40 0 HKABRN O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)Nc1ccccc1C(F)(F)F ZINC000032610042 527492194 /nfs/dbraw/zinc/49/21/94/527492194.db2.gz UVURCXHKNSULLA-UHFFFAOYSA-N 0 0 412.774 5.387 40 0 HKABRN Cc1nn(Cc2cccc(C)c2)c(C)c1NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000032610089 526292215 /nfs/dbraw/zinc/29/22/15/526292215.db2.gz JQYYGSJFXMNYSR-UHFFFAOYSA-N 0 0 411.505 5.901 40 0 HKABRN Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000032610102 526296898 /nfs/dbraw/zinc/29/68/98/526296898.db2.gz CYPBPWMTBMCNSY-UHFFFAOYSA-N 0 0 413.496 5.458 40 0 HKABRN COc1cccc(Cn2nc(C)c(NC(=O)c3cc(Cl)ccc3Cl)c2C)c1 ZINC000032610108 526112311 /nfs/dbraw/zinc/11/23/11/526112311.db2.gz GPJMJBLMVPEESU-UHFFFAOYSA-N 0 0 404.297 5.116 40 0 HKABRN COc1cccc(Cn2nc(C)c(NC(=O)c3ccc(Cl)c(Cl)c3)c2C)c1 ZINC000032610109 526112356 /nfs/dbraw/zinc/11/23/56/526112356.db2.gz BYSRCZAPEMKCFH-UHFFFAOYSA-N 0 0 404.297 5.116 40 0 HKABRN COc1cccc(Cn2nc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2C)c1 ZINC000032610112 526111681 /nfs/dbraw/zinc/11/16/81/526111681.db2.gz UZLKNOPNMWKDKA-UHFFFAOYSA-N 0 0 411.505 5.476 40 0 HKABRN COc1cccc(Cn2nc(C)c(NC(=O)Nc3ccccc3C(F)(F)F)c2C)c1 ZINC000032610114 526111407 /nfs/dbraw/zinc/11/14/07/526111407.db2.gz VJIKZZPWZZVBJQ-UHFFFAOYSA-N 0 0 418.419 5.220 40 0 HKABRN COc1cccc(Cn2nc(C)c(NC(=O)Nc3cccc4ccccc43)c2C)c1 ZINC000032610118 526112390 /nfs/dbraw/zinc/11/23/90/526112390.db2.gz GBHFIDQVBDKLGH-UHFFFAOYSA-N 0 0 400.482 5.354 40 0 HKABRN Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)Nc1cccc2ccccc21 ZINC000032610194 526284486 /nfs/dbraw/zinc/28/44/86/526284486.db2.gz ONLWQSTWRJSUGG-UHFFFAOYSA-N 0 0 404.445 5.473 40 0 HKABRN Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1cccc(C)c1 ZINC000032610195 526284385 /nfs/dbraw/zinc/28/43/85/526284385.db2.gz RQMTTYACQDBSCV-UHFFFAOYSA-N 0 0 403.404 5.116 40 0 HKABRN Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1ccc(C)cc1 ZINC000032610196 526284504 /nfs/dbraw/zinc/28/45/04/526284504.db2.gz BANHBJFFFZABGY-UHFFFAOYSA-N 0 0 403.404 5.116 40 0 HKABRN Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)CCC1CCCC1 ZINC000032610201 526283881 /nfs/dbraw/zinc/28/38/81/526283881.db2.gz VELZSBDSADVCHV-UHFFFAOYSA-N 0 0 409.452 5.464 40 0 HKABRN Cc1cc(C(=O)Nc2c(C)nn(COc3cccc(C(F)(F)F)c3)c2C)c(C)o1 ZINC000032610203 524159893 /nfs/dbraw/zinc/15/98/93/524159893.db2.gz WSPCTTPMAIPKHL-UHFFFAOYSA-N 0 0 407.392 5.017 40 0 HKABRN Cc1ccsc1C(=O)Nc1c(C)nn(COc2cccc(C(F)(F)F)c2)c1C ZINC000032610205 525826768 /nfs/dbraw/zinc/82/67/68/525826768.db2.gz FIFIYVYPQZVVBK-UHFFFAOYSA-N 0 0 409.433 5.177 40 0 HKABRN CCOc1ccc(-c2nc(-c3cccc(NC(=O)c4ccco4)c3)no2)cc1OCC ZINC000032610291 520812915 /nfs/dbraw/zinc/81/29/15/520812915.db2.gz JKMBUUFCRFFMJC-UHFFFAOYSA-N 0 0 419.437 5.046 40 0 HKABRN Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)CCc1ccccc1 ZINC000032610402 526283633 /nfs/dbraw/zinc/28/36/33/526283633.db2.gz UEKRFHCSDDSXJO-UHFFFAOYSA-N 0 0 417.431 5.127 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)Nc1nn(Cc2ccccc2F)cc1Cl ZINC000032610587 524238512 /nfs/dbraw/zinc/23/85/12/524238512.db2.gz GZKIZRXYQFJQQA-UHFFFAOYSA-N 0 0 409.248 5.030 40 0 HKABRN O=C(Nc1nn(Cc2ccccc2F)cc1Cl)C(c1ccccc1)c1ccccc1 ZINC000032610590 527530539 /nfs/dbraw/zinc/53/05/39/527530539.db2.gz BKOXDIARCOPMDC-UHFFFAOYSA-N 0 0 419.887 5.495 40 0 HKABRN Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)Cc1ccc(Cl)cc1 ZINC000032610618 526292584 /nfs/dbraw/zinc/29/25/84/526292584.db2.gz AUDJCJLXJONUAV-UHFFFAOYSA-N 0 0 406.288 5.175 40 0 HKABRN Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)Cc1cccs1 ZINC000032610642 526282695 /nfs/dbraw/zinc/28/26/95/526282695.db2.gz HARVUCYYQAVWOD-UHFFFAOYSA-N 0 0 410.326 5.086 40 0 HKABRN Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1ccccc1C ZINC000032610643 526283324 /nfs/dbraw/zinc/28/33/24/526283324.db2.gz DUJBQQCUIOOEAG-UHFFFAOYSA-N 0 0 404.297 5.404 40 0 HKABRN Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)Nc1cccc(C)c1 ZINC000032610647 526282645 /nfs/dbraw/zinc/28/26/45/526282645.db2.gz AQPVBCJTDSJCQA-UHFFFAOYSA-N 0 0 419.312 5.796 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c1 ZINC000032611282 526247791 /nfs/dbraw/zinc/24/77/91/526247791.db2.gz QZPJLRQBMLWPMB-UHFFFAOYSA-N 0 0 420.578 6.138 40 0 HKABRN Cc1nn(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c(C)c1Br ZINC000032611496 527531375 /nfs/dbraw/zinc/53/13/75/527531375.db2.gz ZSRUTBPJGLYUCX-UHFFFAOYSA-N 0 0 404.695 5.157 40 0 HKABRN Cc1nn(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(C)c1Br ZINC000032611497 527531577 /nfs/dbraw/zinc/53/15/77/527531577.db2.gz DUBSUXMVJHTGSF-UHFFFAOYSA-N 0 0 404.695 5.157 40 0 HKABRN Clc1ccc(OCc2nn3cc(-c4ccc(Cl)cc4)c4c3n2CCCC4)cc1 ZINC000032611756 526959328 /nfs/dbraw/zinc/95/93/28/526959328.db2.gz NWOUMWIOJNGCDS-UHFFFAOYSA-N 0 0 412.320 6.025 40 0 HKABRN CCn1c(SCc2ccc(OC)cc2)nnc1-c1ccc(Br)cc1 ZINC000032611792 523239210 /nfs/dbraw/zinc/23/92/10/523239210.db2.gz PCHUBPXOUQADRI-UHFFFAOYSA-N 0 0 404.333 5.028 40 0 HKABRN CCSCn1nnc(-c2ccc(F)cc2)c1C(=O)Nc1cccc(Cl)c1C ZINC000032611806 521720055 /nfs/dbraw/zinc/72/00/55/521720055.db2.gz GZBXRFMCELAECW-UHFFFAOYSA-N 0 0 404.898 5.009 40 0 HKABRN CCc1nnsc1N(Cc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000032611842 522820219 /nfs/dbraw/zinc/82/02/19/522820219.db2.gz CDEVUVZJXQFEJL-UHFFFAOYSA-N 0 0 408.752 5.855 40 0 HKABRN CCSCn1nnc(-c2ccc(OC)cc2)c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000032611852 521719629 /nfs/dbraw/zinc/71/96/29/521719629.db2.gz FQGJILYMCCWZSB-UHFFFAOYSA-N 0 0 410.543 5.040 40 0 HKABRN Cc1nc2c(s1)n(Cc1ccc(C(F)(F)F)cc1)c(=O)nc2-c1ccc(C)cc1 ZINC000032615794 527112880 /nfs/dbraw/zinc/11/28/80/527112880.db2.gz XKWKWJKMYVMJOA-UHFFFAOYSA-N 0 0 415.440 5.204 40 0 HKABRN Cc1ncc(NC(=O)c2cccc(Cl)c2)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000032615894 527301441 /nfs/dbraw/zinc/30/14/41/527301441.db2.gz VBJXSKKSLHXRAL-UHFFFAOYSA-N 0 0 412.877 5.349 40 0 HKABRN Cc1ncc(NC(=O)c2cc3ccccc3o2)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000032615940 527300019 /nfs/dbraw/zinc/30/00/19/527300019.db2.gz LOBITWKTSRJDJK-UHFFFAOYSA-N 0 0 418.453 5.442 40 0 HKABRN Cc1ncc(NC(=O)CCCc2ccccc2)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000032615942 527293060 /nfs/dbraw/zinc/29/30/60/527293060.db2.gz YQLUCZZLSDLMOK-UHFFFAOYSA-N 0 0 420.513 5.405 40 0 HKABRN Cc1ncc(NC(=O)/C=C/c2ccccc2)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000032615946 527288899 /nfs/dbraw/zinc/28/88/99/527288899.db2.gz JOIFUBRMEWEMCR-KPKJPENVSA-N 0 0 404.470 5.095 40 0 HKABRN Cc1ncc(NC(=O)[C@@H](C)Oc2ccccc2)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000032616148 527297108 /nfs/dbraw/zinc/29/71/08/527297108.db2.gz ZXKWUFFNQFLGGN-MRXNPFEDSA-N 0 0 418.522 5.019 40 0 HKABRN Cc1ncc(NC(=O)[C@H](C)Oc2ccccc2)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000032616150 527298008 /nfs/dbraw/zinc/29/80/08/527298008.db2.gz ZXKWUFFNQFLGGN-INIZCTEOSA-N 0 0 418.522 5.019 40 0 HKABRN Cc1ncc(NC(=O)Cc2cccc(C)c2)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000032616182 527294351 /nfs/dbraw/zinc/29/43/51/527294351.db2.gz DWEOSGHHHKPZLD-UHFFFAOYSA-N 0 0 402.523 5.102 40 0 HKABRN Cc1ncc(NC(=O)c2ccc(F)cc2F)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000032616188 527300421 /nfs/dbraw/zinc/30/04/21/527300421.db2.gz POCSVJOWWCSRSI-UHFFFAOYSA-N 0 0 410.449 5.143 40 0 HKABRN Cc1ncc(NC(=O)c2c(F)cccc2F)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000032616194 527299420 /nfs/dbraw/zinc/29/94/20/527299420.db2.gz DDMHKJDLWMLTFO-UHFFFAOYSA-N 0 0 410.449 5.143 40 0 HKABRN Cc1nc2c(s1)n(Cc1ccc(Cl)cc1Cl)c(=O)nc2-c1cccs1 ZINC000032616303 527113290 /nfs/dbraw/zinc/11/32/90/527113290.db2.gz RZQKWMKLVRWXGZ-UHFFFAOYSA-N 0 0 408.335 5.245 40 0 HKABRN Cc1nc2c(s1)n(Cc1ccc(Cl)c(Cl)c1)c(=O)nc2-c1cccs1 ZINC000032616307 527113678 /nfs/dbraw/zinc/11/36/78/527113678.db2.gz SQJOYZMYGBIUIA-UHFFFAOYSA-N 0 0 408.335 5.245 40 0 HKABRN Cn1c(=O)sc(Sc2ccc(Cl)cc2)c1Sc1ccc(Cl)cc1 ZINC000032617735 527039333 /nfs/dbraw/zinc/03/93/33/527039333.db2.gz ASBXQUIRYNKFRX-UHFFFAOYSA-N 0 0 400.377 6.056 40 0 HKABRN CC(C)(C)c1ccc(Nc2nc3ccccc3nc2Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000032647067 519038743 /nfs/dbraw/zinc/03/87/43/519038743.db2.gz MIINJHJXXNZAND-UHFFFAOYSA-N 0 0 424.592 7.712 40 0 HKABRN CSc1ccc(Nc2nc3ccccc3nc2Nc2ccc(SC)cc2)cc1 ZINC000032647068 526045010 /nfs/dbraw/zinc/04/50/10/526045010.db2.gz FSBZBRHEPBRYHN-UHFFFAOYSA-N 0 0 404.564 6.561 40 0 HKABRN CC[C@@H](C)c1ccc(Nc2nc3ccccc3nc2Nc2ccc([C@@H](C)CC)cc2)cc1 ZINC000032647070 522429116 /nfs/dbraw/zinc/42/91/16/522429116.db2.gz TZNNNOALACDCHW-BGYRXZFFSA-N 0 0 424.592 8.144 40 0 HKABRN CC[C@H](C)c1ccc(Nc2nc3ccccc3nc2Nc2ccc([C@@H](C)CC)cc2)cc1 ZINC000032647073 522039102 /nfs/dbraw/zinc/03/91/02/522039102.db2.gz TZNNNOALACDCHW-PMACEKPBSA-N 0 0 424.592 8.144 40 0 HKABRN CC[C@@H](C)c1ccc(Nc2nc3ccccc3nc2Nc2ccc([C@H](C)CC)cc2)cc1 ZINC000032647075 522429370 /nfs/dbraw/zinc/42/93/70/522429370.db2.gz TZNNNOALACDCHW-WOJBJXKFSA-N 0 0 424.592 8.144 40 0 HKABRN Cc1c(Br)cn2cc(-c3ccc(Cl)cc3)nc2c1Br ZINC000032647093 525529605 /nfs/dbraw/zinc/52/96/05/525529605.db2.gz LGOWMPMGMGCZFC-UHFFFAOYSA-N 0 0 400.501 5.488 40 0 HKABRN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000032647235 527478801 /nfs/dbraw/zinc/47/88/01/527478801.db2.gz GISRJGORJJCOKW-UHFFFAOYSA-N 0 0 423.862 6.317 40 0 HKABRN COc1ccccc1-c1nc(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)no1 ZINC000032647473 524276301 /nfs/dbraw/zinc/27/63/01/524276301.db2.gz KJOCMKFKXLPCRH-UHFFFAOYSA-N 0 0 400.438 5.365 40 0 HKABRN COc1ccccc1-c1nc(-c2cccc(NC(=O)Nc3cccc(C)c3)c2)no1 ZINC000032647508 524277171 /nfs/dbraw/zinc/27/71/71/524277171.db2.gz DPFNNVQFRQXJHC-UHFFFAOYSA-N 0 0 400.438 5.365 40 0 HKABRN CC(=O)c1cccc(NC(=O)Nc2cccc(-c3noc(-c4cccc(F)c4)n3)c2)c1 ZINC000032647572 518439754 /nfs/dbraw/zinc/43/97/54/518439754.db2.gz UHWGVIDYIBPTDS-UHFFFAOYSA-N 0 0 416.412 5.389 40 0 HKABRN O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000032647769 527529764 /nfs/dbraw/zinc/52/97/64/527529764.db2.gz FFOVHLZMBHPTIK-UHFFFAOYSA-N 0 0 405.860 5.643 40 0 HKABRN Clc1cccc(Cl)c1Cn1c2ccccc2nc1-c1c(Cl)cccc1Cl ZINC000032664123 526979077 /nfs/dbraw/zinc/97/90/77/526979077.db2.gz WHYBHEKNYGPGLE-UHFFFAOYSA-N 0 0 422.142 7.365 40 0 HKABRN O=C(CSc1ccc2ccccc2c1)Nc1ccc(I)cc1 ZINC000032691906 569350424 /nfs/dbraw/zinc/35/04/24/569350424.db2.gz GVRVNTSGCPHLFX-UHFFFAOYSA-N 0 0 419.287 5.175 40 0 HKABRN O=C(CSc1cccc2ccccc21)Nc1ccc(I)cc1 ZINC000032691907 569350435 /nfs/dbraw/zinc/35/04/35/569350435.db2.gz ZLXIOOAKMKTZEU-UHFFFAOYSA-N 0 0 419.287 5.175 40 0 HKABRN O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1ccccc1F ZINC000032691993 568694932 /nfs/dbraw/zinc/69/49/32/568694932.db2.gz WEOJOINRIKLNIN-UHFFFAOYSA-N 0 0 415.493 5.681 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)CSc3ccc4ccccc4c3)ccc21 ZINC000032692412 569350431 /nfs/dbraw/zinc/35/04/31/569350431.db2.gz AYVSFZASFFNQCA-UHFFFAOYSA-N 0 0 410.542 6.698 40 0 HKABRN Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000032692443 568694946 /nfs/dbraw/zinc/69/49/46/568694946.db2.gz SFHSLHDJSCXDOU-UHFFFAOYSA-N 0 0 411.530 5.850 40 0 HKABRN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000032692459 568694823 /nfs/dbraw/zinc/69/48/23/568694823.db2.gz SZYZSJWNTCRNRJ-UHFFFAOYSA-N 0 0 411.530 5.850 40 0 HKABRN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1cccc(Cl)c1 ZINC000032692501 568695037 /nfs/dbraw/zinc/69/50/37/568695037.db2.gz GMULZYBIPXPYTQ-UHFFFAOYSA-N 0 0 419.937 6.128 40 0 HKABRN O=C(CSc1cccc2ccccc21)Nc1cccc(I)c1 ZINC000032693114 569350415 /nfs/dbraw/zinc/35/04/15/569350415.db2.gz CVFAGCCOEIACMH-UHFFFAOYSA-N 0 0 419.287 5.175 40 0 HKABRN COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(F)cc1 ZINC000032751993 569350465 /nfs/dbraw/zinc/35/04/65/569350465.db2.gz JHKRLSWGABIIGX-LDADJPATSA-N 0 0 420.415 5.098 40 0 HKABRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(/C)CC/C=C(/C)CCC=C(C)C ZINC000032785907 519402555 /nfs/dbraw/zinc/40/25/55/519402555.db2.gz YYGNTYWPHWGJRM-LIPVTOFQSA-N 0 0 410.730 10.605 40 0 in-vivo HKABRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(/C)CC/C=C(\C)CCC=C(C)C ZINC000032785909 571315698 /nfs/dbraw/zinc/31/56/98/571315698.db2.gz YYGNTYWPHWGJRM-GQVJHIFRSA-N 0 0 410.730 10.605 40 0 in-vivo HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1sc(=S)n2c1[nH]c(=O)c1ccccc12 ZINC000032946451 527109419 /nfs/dbraw/zinc/10/94/19/527109419.db2.gz VOIUDFIMXTXMSS-UHFFFAOYSA-N 0 0 422.318 5.543 40 0 HKABRN CCCn1c2nnc(SCc3cccc(Cl)c3)n2c2ccc(Cl)cc2c1=O ZINC000032985579 569326994 /nfs/dbraw/zinc/32/69/94/569326994.db2.gz IVHGQWZLAQRCQG-UHFFFAOYSA-N 0 0 419.337 5.053 40 0 HKABRN Cc1ccc(NC(=O)c2sc(=S)n3c2[nH]c(=O)c2cc(Cl)ccc23)cc1 ZINC000033251332 569327018 /nfs/dbraw/zinc/32/70/18/569327018.db2.gz QMNZRXZHGZQWEA-UHFFFAOYSA-N 0 0 401.900 5.198 40 0 HKABRN CCc1ccc(NC(=O)c2sc(=S)n3c2[nH]c(=O)c2ccc(Cl)cc23)cc1 ZINC000033251389 569326996 /nfs/dbraw/zinc/32/69/96/569326996.db2.gz PITQWCWLXFYKID-UHFFFAOYSA-N 0 0 415.927 5.452 40 0 HKABRN C=Cc1ccc(CSc2nnc3n2c2ccc(Cl)cc2c(=O)n3CCC)cc1 ZINC000033256513 569327203 /nfs/dbraw/zinc/32/72/03/569327203.db2.gz SVCURUBNLWGDOF-UHFFFAOYSA-N 0 0 410.930 5.043 40 0 HKABRN CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000033323438 568696866 /nfs/dbraw/zinc/69/68/66/568696866.db2.gz YJPHRXUIMMHLAM-IUXPMGMMSA-N 0 0 423.321 5.110 40 0 HKABRN Clc1ccc(CSc2nnc3n(Cc4ccccc4)c4ccccc4n23)cc1 ZINC000033373688 568514349 /nfs/dbraw/zinc/51/43/49/568514349.db2.gz UGHNUSOLMYPSMB-UHFFFAOYSA-N 0 0 404.926 5.678 40 0 HKABRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000033379927 568696778 /nfs/dbraw/zinc/69/67/78/568696778.db2.gz NHXJRNUANRWJRJ-ZRDDSIGQSA-N 0 0 420.295 5.087 40 0 HKABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000033379928 568696679 /nfs/dbraw/zinc/69/66/79/568696679.db2.gz NHXJRNUANRWJRJ-ISQHLFTMSA-N 0 0 420.295 5.087 40 0 HKABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)C1c3ccccc3C2(Cl)c2ccccc21 ZINC000033379929 568696695 /nfs/dbraw/zinc/69/66/95/568696695.db2.gz NHXJRNUANRWJRJ-CAZKKTPXSA-N 0 0 420.295 5.087 40 0 HKABRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000033379930 568696698 /nfs/dbraw/zinc/69/66/98/568696698.db2.gz NHXJRNUANRWJRJ-YQORSWRPSA-N 0 0 420.295 5.087 40 0 HKABRN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000033379931 568696738 /nfs/dbraw/zinc/69/67/38/568696738.db2.gz NPVJGFQTYBSJJL-ZRDDSIGQSA-N 0 0 420.295 5.087 40 0 HKABRN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000033379932 568696685 /nfs/dbraw/zinc/69/66/85/568696685.db2.gz NPVJGFQTYBSJJL-ISQHLFTMSA-N 0 0 420.295 5.087 40 0 HKABRN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)C1c3ccccc3C2(Cl)c2ccccc21 ZINC000033379933 568696573 /nfs/dbraw/zinc/69/65/73/568696573.db2.gz NPVJGFQTYBSJJL-CAZKKTPXSA-N 0 0 420.295 5.087 40 0 HKABRN O=C1[C@H]2[C@H](C(=O)N1c1cccc(Cl)c1)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000033379934 568696787 /nfs/dbraw/zinc/69/67/87/568696787.db2.gz NPVJGFQTYBSJJL-YQORSWRPSA-N 0 0 420.295 5.087 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5ncccc5o4)ccc3C)o2)cc1C ZINC000033380354 569350439 /nfs/dbraw/zinc/35/04/39/569350439.db2.gz YOZGUDUGVANHRY-UHFFFAOYSA-N 0 0 423.472 6.327 40 0 HKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2cccc(F)c2)cc1 ZINC000033381838 569350458 /nfs/dbraw/zinc/35/04/58/569350458.db2.gz HAPQFMIIKPVOGL-OAQYLSRUSA-N 0 0 424.497 5.173 40 0 HKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCc2cccc(F)c2)cc1 ZINC000033381839 569350444 /nfs/dbraw/zinc/35/04/44/569350444.db2.gz HAPQFMIIKPVOGL-NRFANRHFSA-N 0 0 424.497 5.173 40 0 HKABRN CCOc1c(Cl)cc(C(=O)OCC(=O)c2ccccc2)cc1OCc1ccccc1 ZINC000033382772 569350487 /nfs/dbraw/zinc/35/04/87/569350487.db2.gz DQLJODMQNGGIMX-UHFFFAOYSA-N 0 0 424.880 5.357 40 0 HKABRN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)Nc1ccc(Cl)c(Cl)c1 ZINC000033409191 569350524 /nfs/dbraw/zinc/35/05/24/569350524.db2.gz BQAZOBWFZWRKEN-UHFFFAOYSA-N 0 0 422.259 5.022 40 0 HKABRN O=C(COc1ccc(CNc2cccc(Cl)c2)cc1Cl)Nc1ccc(F)cc1 ZINC000033412395 569350556 /nfs/dbraw/zinc/35/05/56/569350556.db2.gz PLAOJYZOIKEJSK-UHFFFAOYSA-N 0 0 419.283 5.762 40 0 HKABRN O=C(CSc1nnc(-c2ccccn2)o1)N1c2ccccc2Sc2ccccc21 ZINC000033412613 568697174 /nfs/dbraw/zinc/69/71/74/568697174.db2.gz WJMOSRJVSVMKAZ-UHFFFAOYSA-N 0 0 418.503 5.053 40 0 HKABRN CCOc1cc(/C=C2/SC(=N)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000033417781 559167739 /nfs/dbraw/zinc/16/77/39/559167739.db2.gz OLRYTTXXVAQCDH-RQZCQDPDSA-N 0 0 423.321 5.110 40 0 HKABRN CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000033424438 568697100 /nfs/dbraw/zinc/69/71/00/568697100.db2.gz ZSIWITYVDAUYPS-YVLHZVERSA-N 0 0 419.955 5.955 40 0 HKABRN Cc1ccc(COc2ccc(C(=S)N3CCC(C)CC3)cc2Br)cc1 ZINC000033450178 569350508 /nfs/dbraw/zinc/35/05/08/569350508.db2.gz YTRWBTNBKCEJRO-UHFFFAOYSA-N 0 0 418.400 5.744 40 0 HKABRN Cc1ccc(C)c(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000033451151 569350507 /nfs/dbraw/zinc/35/05/07/569350507.db2.gz FEESJFUBRJYWQV-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN Cc1cccc(C)c1N(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 ZINC000033453131 569350538 /nfs/dbraw/zinc/35/05/38/569350538.db2.gz WKYTWLNSWSXMMN-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN Cc1ccc(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033458796 569350515 /nfs/dbraw/zinc/35/05/15/569350515.db2.gz YXLUFKJXEJCDRQ-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN CCn1c(COc2ccc(OC)cc2)nnc1SCc1ccc(Cl)cc1Cl ZINC000033509631 569350602 /nfs/dbraw/zinc/35/06/02/569350602.db2.gz DTPFTGKGYQSQFD-UHFFFAOYSA-N 0 0 424.353 5.485 40 0 HKABRN FC(F)(F)c1cc(NC(=S)NCCSCc2ccccc2)ccc1Cl ZINC000033518768 558769351 /nfs/dbraw/zinc/76/93/51/558769351.db2.gz RATFTVOQJITBKA-UHFFFAOYSA-N 0 0 404.910 5.579 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccccc3C(F)(F)F)o2)cc1C ZINC000033519666 569350589 /nfs/dbraw/zinc/35/05/89/569350589.db2.gz MRRZCSWBWNIFJZ-UHFFFAOYSA-N 0 0 418.440 5.709 40 0 HKABRN O=C(/C=C\c1cccs1)n1c(SC/C=C/c2ccccc2)nc2ccccc21 ZINC000033524708 558769281 /nfs/dbraw/zinc/76/92/81/558769281.db2.gz DUVYEMAHJHFDCG-RNLJQKQWSA-N 0 0 402.544 6.257 40 0 HKABRN CCc1ccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccncc2)cc1 ZINC000033533573 569350571 /nfs/dbraw/zinc/35/05/71/569350571.db2.gz QDHDWIFVLHQWSJ-UHFFFAOYSA-N 0 0 422.557 6.337 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCc1ccccc1 ZINC000033534352 568697210 /nfs/dbraw/zinc/69/72/10/568697210.db2.gz LOKLLUBOHNUFBN-UHFFFAOYSA-N 0 0 401.384 5.545 40 0 HKABRN O=C(CNC(=O)OCc1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000033534880 568697299 /nfs/dbraw/zinc/69/72/99/568697299.db2.gz QCKDEFFFOYJSCM-UHFFFAOYSA-N 0 0 418.537 5.019 40 0 HKABRN Cn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000033538135 568697108 /nfs/dbraw/zinc/69/71/08/568697108.db2.gz XNTKHPIEINLLNQ-UHFFFAOYSA-N 0 0 424.740 6.481 40 0 HKABRN Cc1ccccc1NC(=O)COc1ccc(CNc2ccccc2Cl)cc1Cl ZINC000033541254 568697283 /nfs/dbraw/zinc/69/72/83/568697283.db2.gz IZQNIKYZKULYNO-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN Cc1ccc(C)c(NC(=O)COc2ccc(CNc3ccc(F)cc3)cc2Cl)c1 ZINC000033545973 569350614 /nfs/dbraw/zinc/35/06/14/569350614.db2.gz AHWIYLVNBOJRRG-UHFFFAOYSA-N 0 0 412.892 5.726 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000033547105 569350582 /nfs/dbraw/zinc/35/05/82/569350582.db2.gz CQUSKDGTOZDUCP-UHFFFAOYSA-N 0 0 414.864 5.117 40 0 HKABRN S=C(c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)N1CCCC1 ZINC000033551222 569350615 /nfs/dbraw/zinc/35/06/15/569350615.db2.gz FOILEFCNKUVWML-UHFFFAOYSA-N 0 0 400.758 5.997 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nc5ccccc5o4)c3C)o2)cc1C ZINC000033555424 569350563 /nfs/dbraw/zinc/35/05/63/569350563.db2.gz BPCVHKMRCSNYGL-UHFFFAOYSA-N 0 0 422.484 6.932 40 0 HKABRN S=C(c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)N1CCCC1 ZINC000033559997 569350578 /nfs/dbraw/zinc/35/05/78/569350578.db2.gz ISEFKYITCUGTOG-UHFFFAOYSA-N 0 0 400.758 5.997 40 0 HKABRN COc1ccc(C=Cc2nc3ccccc3nc2OCC(=O)c2ccc(C)cc2)cc1 ZINC000033561548 569350595 /nfs/dbraw/zinc/35/05/95/569350595.db2.gz XKAHAFWVHZVAPO-LFIBNONCSA-N 0 0 410.473 5.379 40 0 HKABRN COc1ccc(/C=C/c2nc3ccccc3nc2OCc2ccc(C(C)(C)C)cc2)cc1 ZINC000033561552 569027710 /nfs/dbraw/zinc/02/77/10/569027710.db2.gz AJEGNSGTBVQDGU-QGOAFFKASA-N 0 0 424.544 6.685 40 0 HKABRN Fc1cccc(COc2c(Cl)cc(CNc3cccc(Cl)c3)cc2Cl)c1 ZINC000033567140 569350590 /nfs/dbraw/zinc/35/05/90/569350590.db2.gz DSUNSPIYSWODIG-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN Cc1ccc(COc2ccc(/C=C3\N=C(c4cccc(Cl)c4)OC3=O)cc2)cc1 ZINC000033567575 568697069 /nfs/dbraw/zinc/69/70/69/568697069.db2.gz BAFWKCLUMYJFHO-XKZIYDEJSA-N 0 0 403.865 5.572 40 0 HKABRN CCCOc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000033569338 558770295 /nfs/dbraw/zinc/77/02/95/558770295.db2.gz BLFNQFZIXNCBND-UHFFFAOYSA-N 0 0 414.549 5.023 40 0 HKABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000033572043 568697154 /nfs/dbraw/zinc/69/71/54/568697154.db2.gz VEOZJDBUYNVZJU-YADARESESA-N 0 0 416.521 5.282 40 0 HKABRN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000033572045 568697508 /nfs/dbraw/zinc/69/75/08/568697508.db2.gz VEOZJDBUYNVZJU-CYFREDJKSA-N 0 0 416.521 5.282 40 0 HKABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000033572047 568697497 /nfs/dbraw/zinc/69/74/97/568697497.db2.gz VEOZJDBUYNVZJU-NTKDMRAZSA-N 0 0 416.521 5.282 40 0 HKABRN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000033572049 568697345 /nfs/dbraw/zinc/69/73/45/568697345.db2.gz VEOZJDBUYNVZJU-DVECYGJZSA-N 0 0 416.521 5.282 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)o2)cc1C ZINC000033574124 569350624 /nfs/dbraw/zinc/35/06/24/569350624.db2.gz RSXGGJKKOJREAQ-UHFFFAOYSA-N 0 0 416.502 6.130 40 0 HKABRN CC1=C(C(=O)OC(C)(C)C)C(/C=C/c2ccccc2)C(C(=O)OC(C)(C)C)=C(C)N1 ZINC000033575149 558770493 /nfs/dbraw/zinc/77/04/93/558770493.db2.gz OZFDLGYIBGONIT-CCEZHUSRSA-N 0 0 411.542 5.151 40 0 HKABRN Cc1ccc(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000033575478 569350674 /nfs/dbraw/zinc/35/06/74/569350674.db2.gz CEMJRELXTLROKU-UHFFFAOYSA-N 0 0 406.334 5.697 40 0 HKABRN Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000033575569 568697421 /nfs/dbraw/zinc/69/74/21/568697421.db2.gz PABDPXIKCJFZMI-UHFFFAOYSA-N 0 0 404.322 5.490 40 0 HKABRN Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2cc(C)ccc2C)cc1 ZINC000033579357 569350660 /nfs/dbraw/zinc/35/06/60/569350660.db2.gz MDXXGTHUYLBKHZ-UHFFFAOYSA-N 0 0 417.933 5.800 40 0 HKABRN Cc1ccc(COc2ccc(C(=S)N3CCCCC3)cc2Br)cc1 ZINC000033586259 569350667 /nfs/dbraw/zinc/35/06/67/569350667.db2.gz JLQHYXKQGJECTR-UHFFFAOYSA-N 0 0 404.373 5.498 40 0 HKABRN O=C(CSc1ccc2ccccc2c1)N1c2ccccc2S[C@H]2C=CC=C[C@H]21 ZINC000033586957 568697470 /nfs/dbraw/zinc/69/74/70/568697470.db2.gz JMIYQJXXZKKCMH-IRLDBZIGSA-N 0 0 401.556 5.934 40 0 HKABRN O=C(CSc1ccc2ccccc2c1)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21 ZINC000033586958 569350632 /nfs/dbraw/zinc/35/06/32/569350632.db2.gz JMIYQJXXZKKCMH-UNMCSNQZSA-N 0 0 401.556 5.934 40 0 HKABRN O=C(CSc1ccc2ccccc2c1)N1c2ccccc2S[C@@H]2C=CC=C[C@H]21 ZINC000033586959 569350668 /nfs/dbraw/zinc/35/06/68/569350668.db2.gz JMIYQJXXZKKCMH-IFMALSPDSA-N 0 0 401.556 5.934 40 0 HKABRN O=C(CSc1ccc2ccccc2c1)N1c2ccccc2S[C@@H]2C=CC=C[C@@H]21 ZINC000033586960 569350634 /nfs/dbraw/zinc/35/06/34/569350634.db2.gz JMIYQJXXZKKCMH-RBBKRZOGSA-N 0 0 401.556 5.934 40 0 HKABRN Cc1sc(NC(=O)CSc2nnc(-c3cccc(C)c3)o2)nc1-c1ccccc1 ZINC000033587112 569350646 /nfs/dbraw/zinc/35/06/46/569350646.db2.gz WILVFHYTHJGLOR-UHFFFAOYSA-N 0 0 422.535 5.208 40 0 HKABRN COc1ccc(C=Cc2nc3ccccc3nc2OCC(=O)c2ccc(C)c(C)c2)cc1 ZINC000033590118 569027678 /nfs/dbraw/zinc/02/76/78/569027678.db2.gz SJWURXSJUZWQTQ-RVDMUPIBSA-N 0 0 424.500 5.687 40 0 HKABRN Cc1ccccc1N(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000033590728 569350645 /nfs/dbraw/zinc/35/06/45/569350645.db2.gz VUEABTLOPFCBGP-UHFFFAOYSA-N 0 0 406.334 5.697 40 0 HKABRN CCn1c(COc2ccc3ccccc3c2C)nnc1SCc1ccc(Cl)cc1 ZINC000033595338 569350665 /nfs/dbraw/zinc/35/06/65/569350665.db2.gz YQIVOQLORPHHOL-UHFFFAOYSA-N 0 0 423.969 6.284 40 0 HKABRN Cc1ccccc1N(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000033595525 569350633 /nfs/dbraw/zinc/35/06/33/569350633.db2.gz VHOPOPVWURRCOL-UHFFFAOYSA-N 0 0 416.340 5.153 40 0 HKABRN CCOc1cc(CNc2cccc(Cl)c2)ccc1OCc1ccccc1Cl ZINC000033597098 568697493 /nfs/dbraw/zinc/69/74/93/568697493.db2.gz DZLOVEZCHDRGSX-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN Cc1sc2nc(-c3ccc(Sc4cccc5cccnc54)o3)[nH]c(=O)c2c1C ZINC000033597663 569350655 /nfs/dbraw/zinc/35/06/55/569350655.db2.gz BYWYDSXQNBRNPM-UHFFFAOYSA-N 0 0 405.504 5.561 40 0 HKABRN CCn1c(COc2c(C)cccc2C)nnc1SCc1ccc(Cl)cc1Cl ZINC000033598378 569350740 /nfs/dbraw/zinc/35/07/40/569350740.db2.gz XAUIVWVSFASGDR-UHFFFAOYSA-N 0 0 422.381 6.093 40 0 HKABRN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000033600470 569350681 /nfs/dbraw/zinc/35/06/81/569350681.db2.gz VUSJLAIRIGUZOY-HXUWFJFHSA-N 0 0 412.411 5.205 40 0 HKABRN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000033600471 569350689 /nfs/dbraw/zinc/35/06/89/569350689.db2.gz VUSJLAIRIGUZOY-FQEVSTJZSA-N 0 0 412.411 5.205 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000033600873 569350726 /nfs/dbraw/zinc/35/07/26/569350726.db2.gz OIDHGBDLJNLIGO-UHFFFAOYSA-N 0 0 401.453 6.558 40 0 HKABRN COc1c(Cl)cc(C(=O)Nc2cc(Cl)ccc2C)cc1OCc1ccccc1 ZINC000033608920 569350713 /nfs/dbraw/zinc/35/07/13/569350713.db2.gz UKHJBFLODZZXHO-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN CCCOc1c(Br)cc(C(=O)Nc2ccc(CC)cc2)cc1OCC ZINC000033609876 569350714 /nfs/dbraw/zinc/35/07/14/569350714.db2.gz LNHVPOYTWPILPT-UHFFFAOYSA-N 0 0 406.320 5.451 40 0 HKABRN Cc1cc(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c1 ZINC000033613401 569350715 /nfs/dbraw/zinc/35/07/15/569350715.db2.gz MPBTXIUAKRAIIL-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1ccc(N(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000033613462 569350699 /nfs/dbraw/zinc/35/06/99/569350699.db2.gz JFFLZRATJNPBLZ-UHFFFAOYSA-N 0 0 403.906 5.491 40 0 HKABRN Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c(C)c1 ZINC000033613730 559221420 /nfs/dbraw/zinc/22/14/20/559221420.db2.gz CRPJQIAPMYZHPE-UHFFFAOYSA-N 0 0 401.535 5.432 40 0 HKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1N1CCCC1 ZINC000033615109 569350739 /nfs/dbraw/zinc/35/07/39/569350739.db2.gz INBVGNPFHIXVFP-GFCCVEGCSA-N 0 0 413.732 5.653 40 0 HKABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1N1CCCC1 ZINC000033615111 569350695 /nfs/dbraw/zinc/35/06/95/569350695.db2.gz INBVGNPFHIXVFP-LBPRGKRZSA-N 0 0 413.732 5.653 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc4cccnc43)o2)cc1C ZINC000033615581 569350688 /nfs/dbraw/zinc/35/06/88/569350688.db2.gz BVKAKGDCQIHCTK-UHFFFAOYSA-N 0 0 401.491 5.238 40 0 HKABRN CCOc1c(Cl)cc(C(=O)Nc2ccc(OC)cc2)cc1OCc1ccccc1 ZINC000033616267 569350709 /nfs/dbraw/zinc/35/07/09/569350709.db2.gz KAHYJNWVQSJQIW-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCc1ccccc1 ZINC000033618226 569350797 /nfs/dbraw/zinc/35/07/97/569350797.db2.gz IIYDFIZPJOCHPX-UHFFFAOYSA-N 0 0 415.411 5.935 40 0 HKABRN CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c1 ZINC000033618777 569350760 /nfs/dbraw/zinc/35/07/60/569350760.db2.gz SCFUJJXVRXVYKU-UHFFFAOYSA-N 0 0 421.522 5.039 40 0 HKABRN Cc1ccc(C)c(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000033618875 569350782 /nfs/dbraw/zinc/35/07/82/569350782.db2.gz PLTMKCURUVKKRG-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN CC(C)c1ccc(OCc2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000033619290 569350742 /nfs/dbraw/zinc/35/07/42/569350742.db2.gz ZVODDORFOPSDML-UHFFFAOYSA-N 0 0 409.338 6.371 40 0 HKABRN CCOc1cc(C(=S)N2CCCCC2)cc(Cl)c1OCc1ccccc1F ZINC000033619458 569350778 /nfs/dbraw/zinc/35/07/78/569350778.db2.gz HECYVFKFXUNJEC-UHFFFAOYSA-N 0 0 407.938 5.618 40 0 HKABRN S=C(c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)N1CCCC1 ZINC000033620360 569350774 /nfs/dbraw/zinc/35/07/74/569350774.db2.gz FNRLNJASYKGULF-UHFFFAOYSA-N 0 0 400.758 5.997 40 0 HKABRN S=C(c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)N1CCCCC1 ZINC000033620994 569350776 /nfs/dbraw/zinc/35/07/76/569350776.db2.gz JRRSDFGPWHRNNZ-UHFFFAOYSA-N 0 0 414.785 6.387 40 0 HKABRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1cccc(Cl)c1 ZINC000033621043 569350793 /nfs/dbraw/zinc/35/07/93/569350793.db2.gz WEKKBUPMLSDWAE-UHFFFAOYSA-N 0 0 408.354 5.111 40 0 HKABRN Cc1ccc(NC(=O)c2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1C ZINC000033623403 569350762 /nfs/dbraw/zinc/35/07/62/569350762.db2.gz RPLRZGNPCWQXAH-UHFFFAOYSA-N 0 0 407.477 5.489 40 0 HKABRN Cc1ccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1C ZINC000033623770 569350754 /nfs/dbraw/zinc/35/07/54/569350754.db2.gz MAUTZQDUMQMWRT-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccc(C)c(C)c2)o1 ZINC000033628165 569350748 /nfs/dbraw/zinc/35/07/48/569350748.db2.gz OAJIWKKXRMQWAD-UHFFFAOYSA-N 0 0 414.914 5.352 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000033631537 569350746 /nfs/dbraw/zinc/35/07/46/569350746.db2.gz CEYIYYSUBZOROB-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c(C)c1 ZINC000033636509 568697841 /nfs/dbraw/zinc/69/78/41/568697841.db2.gz AGAIDZBVLWZVFJ-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN CC(C)N(C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(C)C ZINC000033636836 568697645 /nfs/dbraw/zinc/69/76/45/568697645.db2.gz PBNKREGCQAYWMQ-UHFFFAOYSA-N 0 0 404.470 5.801 40 0 HKABRN COc1cc(C(=S)N2CCCC2)cc(Br)c1OCc1ccc(C)cc1 ZINC000033644237 569350860 /nfs/dbraw/zinc/35/08/60/569350860.db2.gz KYLGAJXQYYGVEG-UHFFFAOYSA-N 0 0 420.372 5.116 40 0 HKABRN Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2ccc(C)c(C)c2)cc1 ZINC000033644297 569350800 /nfs/dbraw/zinc/35/08/00/569350800.db2.gz MCPSWBDKNGUSRN-UHFFFAOYSA-N 0 0 417.933 5.800 40 0 HKABRN CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000033645537 569350850 /nfs/dbraw/zinc/35/08/50/569350850.db2.gz OADPPQVAZOVBLC-UHFFFAOYSA-N 0 0 424.928 5.677 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nc5ccccc5o4)c3)o2)cc1C ZINC000033647026 569350824 /nfs/dbraw/zinc/35/08/24/569350824.db2.gz LYVJLHHVPYZWQW-UHFFFAOYSA-N 0 0 408.457 6.624 40 0 HKABRN O=C(Nc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 ZINC000033648439 560858316 /nfs/dbraw/zinc/85/83/16/560858316.db2.gz VLOXKCMNJNZULN-UHFFFAOYSA-N 0 0 400.261 5.603 40 0 HKABRN CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000033648504 560858310 /nfs/dbraw/zinc/85/83/10/560858310.db2.gz SRSRUFPAEKRQOK-UHFFFAOYSA-N 0 0 424.928 5.677 40 0 HKABRN COc1cccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c1 ZINC000033652428 569350812 /nfs/dbraw/zinc/35/08/12/569350812.db2.gz RZYHESKNHOODOL-UHFFFAOYSA-N 0 0 405.837 5.374 40 0 HKABRN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c3ccccc32)cc1Cl ZINC000033653014 569350818 /nfs/dbraw/zinc/35/08/18/569350818.db2.gz RQVNOBAKHWQRIO-UHFFFAOYSA-N 0 0 402.881 5.473 40 0 HKABRN CC1CCN(C(=S)c2ccc(OCc3ccc(Br)cc3)cc2)CC1 ZINC000033653130 569350826 /nfs/dbraw/zinc/35/08/26/569350826.db2.gz TUWFJIBXXOFGKT-UHFFFAOYSA-N 0 0 404.373 5.436 40 0 HKABRN COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1Cl ZINC000033653348 569350819 /nfs/dbraw/zinc/35/08/19/569350819.db2.gz NKSBMPGRYRCMKJ-UHFFFAOYSA-N 0 0 414.914 5.352 40 0 HKABRN CCn1c(COc2ccccc2OC)nnc1SCc1ccc(Cl)cc1Cl ZINC000033654237 569350888 /nfs/dbraw/zinc/35/08/88/569350888.db2.gz DFVLHRRSNKIDRV-UHFFFAOYSA-N 0 0 424.353 5.485 40 0 HKABRN COc1cc(C(=S)N2CCCC2)c(Br)cc1OCc1ccc(C)cc1 ZINC000033654539 569350907 /nfs/dbraw/zinc/35/09/07/569350907.db2.gz CMJZPGQPNFWBCV-UHFFFAOYSA-N 0 0 420.372 5.116 40 0 HKABRN O=C(CSc1nnc(Cc2ccc(Cl)cc2)o1)Nc1cccc2ccccc21 ZINC000033655251 569350927 /nfs/dbraw/zinc/35/09/27/569350927.db2.gz ZXKCYXAYIFZZEO-UHFFFAOYSA-N 0 0 409.898 5.198 40 0 HKABRN CCOc1c(Cl)cc(C(=O)Nc2cc(C)ccc2C)cc1OCc1ccccc1 ZINC000033655472 569350929 /nfs/dbraw/zinc/35/09/29/569350929.db2.gz SVYUEQHXNGSXGI-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)Nc1ccc(Cl)c(Cl)c1 ZINC000033656708 569350928 /nfs/dbraw/zinc/35/09/28/569350928.db2.gz CKZAGWQUNCKDAL-UHFFFAOYSA-N 0 0 423.299 5.818 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(F)c(Cl)c3)o2)cc1C ZINC000033659058 569350909 /nfs/dbraw/zinc/35/09/09/569350909.db2.gz BAYLYKGQWRILFW-UHFFFAOYSA-N 0 0 402.878 5.483 40 0 HKABRN Cc1ccc(C)c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000033659061 569350897 /nfs/dbraw/zinc/35/08/97/569350897.db2.gz DZWIYRRBOOYIQC-UHFFFAOYSA-N 0 0 409.363 5.952 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Cl)c(Cl)c3)o2)cc1C ZINC000033659279 569350871 /nfs/dbraw/zinc/35/08/71/569350871.db2.gz DEZYWALKYJRGES-UHFFFAOYSA-N 0 0 419.333 5.997 40 0 HKABRN Cc1ccc(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1C ZINC000033659406 569350874 /nfs/dbraw/zinc/35/08/74/569350874.db2.gz RDBGSMJEBYNGTP-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN CC(C)(C)c1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(C(C)(C)C)c1O ZINC000033659450 569350899 /nfs/dbraw/zinc/35/08/99/569350899.db2.gz GKQUTRAHLFQHHX-RGEXLXHISA-N 0 0 409.551 6.228 40 0 HKABRN CCCOc1c(Br)cc(C(=O)Nc2ccccc2Cl)cc1OCC ZINC000033659608 569350887 /nfs/dbraw/zinc/35/08/87/569350887.db2.gz KQCRJGSWKQCUNL-UHFFFAOYSA-N 0 0 412.711 5.542 40 0 HKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 ZINC000033659669 569350876 /nfs/dbraw/zinc/35/08/76/569350876.db2.gz GWMDHLQQKFRGJM-UHFFFAOYSA-N 0 0 404.510 5.196 40 0 HKABRN CCOc1ccc2nc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)sc2c1 ZINC000033659982 568697989 /nfs/dbraw/zinc/69/79/89/568697989.db2.gz UAUMUCWZBZEKJC-UHFFFAOYSA-N 0 0 423.346 6.469 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)o2)cc1C ZINC000033660500 569350919 /nfs/dbraw/zinc/35/09/19/569350919.db2.gz GTVQOCIEEJBWAY-UHFFFAOYSA-N 0 0 416.502 6.130 40 0 HKABRN CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000033660721 568698025 /nfs/dbraw/zinc/69/80/25/568698025.db2.gz QLPUTKHYNVNZBY-UHFFFAOYSA-N 0 0 418.537 5.640 40 0 HKABRN CCOc1cccc2c1N(C(=O)c1cnccn1)C(C)(C)c1ssc(=S)c1-2 ZINC000033661306 569350867 /nfs/dbraw/zinc/35/08/67/569350867.db2.gz LUORKPVYJXRFMU-UHFFFAOYSA-N 0 0 415.565 5.290 40 0 HKABRN Cc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccccc2)cc1C ZINC000033661440 568698062 /nfs/dbraw/zinc/69/80/62/568698062.db2.gz DPMLNIHKTCDBHY-UHFFFAOYSA-N 0 0 401.535 5.722 40 0 HKABRN COc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1cccc(F)c1 ZINC000033663109 560858422 /nfs/dbraw/zinc/85/84/22/560858422.db2.gz BJIWPRYKURNFTR-UHFFFAOYSA-N 0 0 407.938 5.474 40 0 HKABRN O=C1S/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000033663593 568698132 /nfs/dbraw/zinc/69/81/32/568698132.db2.gz DINDFRUKLZXXKW-XDHOZWIPSA-N 0 0 410.882 5.073 40 0 HKABRN CCOc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000033663815 569350933 /nfs/dbraw/zinc/35/09/33/569350933.db2.gz LWTGLBOJHMCBFL-UHFFFAOYSA-N 0 0 404.510 5.332 40 0 HKABRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1cccc2ccccc21 ZINC000033663907 569350931 /nfs/dbraw/zinc/35/09/31/569350931.db2.gz RUYUCNOZGRQDQR-UHFFFAOYSA-N 0 0 409.942 5.220 40 0 HKABRN S=C(c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)N1CCOCC1 ZINC000033664030 569350951 /nfs/dbraw/zinc/35/09/51/569350951.db2.gz GIZKYTHKKBWOPK-UHFFFAOYSA-N 0 0 416.757 5.234 40 0 HKABRN Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000033664106 569350972 /nfs/dbraw/zinc/35/09/72/569350972.db2.gz PCSSYDDVIZWJCD-UHFFFAOYSA-N 0 0 424.740 6.481 40 0 HKABRN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(-c4ccc(C)c(C)c4)o3)cc2)c1 ZINC000033664527 569350930 /nfs/dbraw/zinc/35/09/30/569350930.db2.gz DBTOFLXEUMHDJY-UHFFFAOYSA-N 0 0 424.500 6.376 40 0 HKABRN O=C(COc1ccc(CNc2ccccc2Cl)cc1Cl)Nc1ccc(F)cc1 ZINC000033665619 569350982 /nfs/dbraw/zinc/35/09/82/569350982.db2.gz DIBNMJMKZWUBEY-UHFFFAOYSA-N 0 0 419.283 5.762 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000033665792 568698048 /nfs/dbraw/zinc/69/80/48/568698048.db2.gz QZPSTNGSQLNUGY-UHFFFAOYSA-N 0 0 410.901 5.287 40 0 HKABRN Cc1ccc(NC(=O)COc2ccc(CNc3ccc(F)cc3)cc2Cl)c(C)c1 ZINC000033667321 569350945 /nfs/dbraw/zinc/35/09/45/569350945.db2.gz OAHUOMQOLCXNFE-UHFFFAOYSA-N 0 0 412.892 5.726 40 0 HKABRN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000033667385 569350943 /nfs/dbraw/zinc/35/09/43/569350943.db2.gz BCVMZDAQJVZPBO-UHFFFAOYSA-N 0 0 420.940 6.162 40 0 HKABRN Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2cc(C)cc(C)c2)cc1 ZINC000033670966 569350941 /nfs/dbraw/zinc/35/09/41/569350941.db2.gz JBSOREXIRZVCCY-UHFFFAOYSA-N 0 0 417.933 5.800 40 0 HKABRN CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000033672251 569350974 /nfs/dbraw/zinc/35/09/74/569350974.db2.gz QFCYCRWEYGNGJI-UHFFFAOYSA-N 0 0 418.537 5.640 40 0 HKABRN Cc1cccc(COc2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000033675996 569351050 /nfs/dbraw/zinc/35/10/50/569351050.db2.gz GDSAKIHKMAMKFM-UHFFFAOYSA-N 0 0 416.590 5.067 40 0 HKABRN Cc1cccc(C2=N/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)c1 ZINC000033680638 568697534 /nfs/dbraw/zinc/69/75/34/568697534.db2.gz ZSZSCMASRFBRDD-HMAPJEAMSA-N 0 0 403.865 5.572 40 0 HKABRN COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000033681358 569350994 /nfs/dbraw/zinc/35/09/94/569350994.db2.gz QCPVXJREUWBAGV-UHFFFAOYSA-N 0 0 404.510 5.250 40 0 HKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1C ZINC000033684147 569351040 /nfs/dbraw/zinc/35/10/40/569351040.db2.gz CJKSHBRFUKWLNT-UHFFFAOYSA-N 0 0 412.892 5.726 40 0 HKABRN O=C(NC(=S)Nc1ccc(F)cc1F)c1sc2cc(Cl)ccc2c1Cl ZINC000033684708 560858515 /nfs/dbraw/zinc/85/85/15/560858515.db2.gz DUQURSGQZOSMOJ-UHFFFAOYSA-N 0 0 417.289 5.613 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)Nc3cccc(Br)c3)cc2)cc1 ZINC000033688668 569351048 /nfs/dbraw/zinc/35/10/48/569351048.db2.gz FLUAHZLPULDEPH-UHFFFAOYSA-N 0 0 412.352 6.302 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 ZINC000033689143 569351017 /nfs/dbraw/zinc/35/10/17/569351017.db2.gz PTZGIWWFZSIPCL-UHFFFAOYSA-N 0 0 405.837 5.374 40 0 HKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)c1 ZINC000033691841 569351043 /nfs/dbraw/zinc/35/10/43/569351043.db2.gz IPTGXCWAZIHYDY-UHFFFAOYSA-N 0 0 422.550 5.480 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCC ZINC000033692644 569350998 /nfs/dbraw/zinc/35/09/98/569350998.db2.gz ANCSBNGXFIZRJN-UHFFFAOYSA-N 0 0 411.885 6.182 40 0 HKABRN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)cc1 ZINC000033693159 569351028 /nfs/dbraw/zinc/35/10/28/569351028.db2.gz HRVDZTNPZZYSSP-UHFFFAOYSA-N 0 0 415.990 5.365 40 0 HKABRN CCn1c(COc2ccc3ccccc3c2C)nnc1SCc1ccccc1Cl ZINC000033693416 569351045 /nfs/dbraw/zinc/35/10/45/569351045.db2.gz HPUYSAQCLYDNGH-UHFFFAOYSA-N 0 0 423.969 6.284 40 0 HKABRN COc1ccc(NCc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000033693901 569351026 /nfs/dbraw/zinc/35/10/26/569351026.db2.gz NRILCRUTZHZBMA-UHFFFAOYSA-N 0 0 414.864 5.117 40 0 HKABRN CC[C@H](C)Oc1ccc2ccccc2c1C=C1C(=O)[N-]C(=O)N(Cc2ccco2)C1=O ZINC000033694426 568697578 /nfs/dbraw/zinc/69/75/78/568697578.db2.gz NYKIWCYKNZXOJP-NPRIEWAGSA-N 0 0 418.449 5.112 40 0 HKABRN COc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000033700646 568697360 /nfs/dbraw/zinc/69/73/60/568697360.db2.gz IUDNPWFVJAEMIL-UHFFFAOYSA-N 0 0 414.864 5.117 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccccc5)nc4c3)o2)cc1C ZINC000033701357 569351058 /nfs/dbraw/zinc/35/10/58/569351058.db2.gz JNKOYOVJPWAEID-UHFFFAOYSA-N 0 0 408.457 6.624 40 0 HKABRN CCOc1cc(C(=S)N2CCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000033702596 569351054 /nfs/dbraw/zinc/35/10/54/569351054.db2.gz PKQVDKQFUHXNPI-UHFFFAOYSA-N 0 0 424.393 6.133 40 0 HKABRN COc1c(Cl)cc(C(=O)Nc2ccccc2Cl)cc1OCc1ccccc1 ZINC000033703359 569351101 /nfs/dbraw/zinc/35/11/01/569351101.db2.gz WDDPQQYWUFEUPI-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN COc1c(Cl)cc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OCc1ccccc1 ZINC000033703574 569351073 /nfs/dbraw/zinc/35/10/73/569351073.db2.gz FAYQYNYFHKQSOK-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 ZINC000033704318 568697415 /nfs/dbraw/zinc/69/74/15/568697415.db2.gz HVJURQUCUSTZFO-UHFFFAOYSA-N 0 0 421.566 5.536 40 0 HKABRN O=C1NC(=S)SC1=Cc1ccc(OCc2ccccc2F)c(Br)c1 ZINC000033706072 569351091 /nfs/dbraw/zinc/35/10/91/569351091.db2.gz GISVLBBPRJPERR-NVNXTCNLSA-N 0 0 424.316 5.496 40 0 HKABRN O=C(OCc1ccc(Br)cc1)c1cc(-c2cccs2)nc2ccccc21 ZINC000033707333 569351104 /nfs/dbraw/zinc/35/11/04/569351104.db2.gz MAQVSKAHTCVUED-UHFFFAOYSA-N 0 0 424.319 6.083 40 0 HKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccccc1OCc1cccc(F)c1 ZINC000033707789 569351069 /nfs/dbraw/zinc/35/10/69/569351069.db2.gz HWZFYJQGEMVWPF-OAQYLSRUSA-N 0 0 424.497 5.173 40 0 HKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccccc1OCc1cccc(F)c1 ZINC000033707791 569351055 /nfs/dbraw/zinc/35/10/55/569351055.db2.gz HWZFYJQGEMVWPF-NRFANRHFSA-N 0 0 424.497 5.173 40 0 HKABRN Cc1ccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033708294 569351093 /nfs/dbraw/zinc/35/10/93/569351093.db2.gz XNJKRYFKTGJZDP-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN COc1cc(COc2c(Cl)cc(CO)cc2OC)ccc1OCc1ccccc1 ZINC000033711807 569351078 /nfs/dbraw/zinc/35/10/78/569351078.db2.gz SGIHRKOPWSPEGE-UHFFFAOYSA-N 0 0 414.885 5.008 40 0 HKABRN CC1CCN(C(=S)c2ccc(OCc3ccc(F)cc3)c(Br)c2)CC1 ZINC000033717274 569351166 /nfs/dbraw/zinc/35/11/66/569351166.db2.gz JZYOTZFCACTRGA-UHFFFAOYSA-N 0 0 422.363 5.575 40 0 HKABRN CCOc1cc(C(=S)N2CCCC2)ccc1OCc1ccc(Br)cc1 ZINC000033717357 569351126 /nfs/dbraw/zinc/35/11/26/569351126.db2.gz NAYAGRUTSZQQFP-UHFFFAOYSA-N 0 0 420.372 5.198 40 0 HKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc2)cc1 ZINC000033717761 569351137 /nfs/dbraw/zinc/35/11/37/569351137.db2.gz JXXPWUSPWRTZHF-UHFFFAOYSA-N 0 0 406.334 5.697 40 0 HKABRN CCn1c(COc2c(C)cccc2C)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000033720198 569351146 /nfs/dbraw/zinc/35/11/46/569351146.db2.gz ACTBQIVCUDMMNP-UHFFFAOYSA-N 0 0 422.381 6.093 40 0 HKABRN O=C(CSCc1ccc(Br)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000033720753 568697819 /nfs/dbraw/zinc/69/78/19/568697819.db2.gz UUZBSSUABFVZTK-UHFFFAOYSA-N 0 0 405.144 5.628 40 0 HKABRN CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccccc1C ZINC000033722497 569351148 /nfs/dbraw/zinc/35/11/48/569351148.db2.gz ZDJUQLUFXPEZNR-UHFFFAOYSA-N 0 0 418.537 5.586 40 0 HKABRN O=C(COc1ccccc1F)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@H]1c1ccco1 ZINC000033723140 569047981 /nfs/dbraw/zinc/04/79/81/569047981.db2.gz FJPHBQRGPJCXIG-YPODGNFJSA-N 0 0 420.440 5.214 40 0 HKABRN O=C(COc1ccccc1F)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 ZINC000033723141 569047950 /nfs/dbraw/zinc/04/79/50/569047950.db2.gz FJPHBQRGPJCXIG-OLGBWWKPSA-N 0 0 420.440 5.214 40 0 HKABRN Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2ccccc2C)cc1 ZINC000033724799 569351161 /nfs/dbraw/zinc/35/11/61/569351161.db2.gz RHWDNESAUXEGEO-UHFFFAOYSA-N 0 0 403.906 5.491 40 0 HKABRN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(c1ccccc1)c1ccccc1 ZINC000033727165 558771063 /nfs/dbraw/zinc/77/10/63/558771063.db2.gz UIDFSMGXVVYEQR-UHFFFAOYSA-N 0 0 421.584 6.925 40 0 HKABRN O=C(NC(=S)Nc1cccc2cc(O)ccc21)C(c1ccccc1)c1ccccc1 ZINC000033730905 569351176 /nfs/dbraw/zinc/35/11/76/569351176.db2.gz IDMVCQSQWWBJSU-UHFFFAOYSA-N 0 0 412.514 5.191 40 0 HKABRN Fc1ccc(COc2c(Cl)cc(CNc3cccc(Cl)c3)cc2Cl)cc1 ZINC000033731784 569351209 /nfs/dbraw/zinc/35/12/09/569351209.db2.gz MXZFBUCYEMVEIL-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN CC1CCN(C(=S)c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)CC1 ZINC000033732848 569351225 /nfs/dbraw/zinc/35/12/25/569351225.db2.gz UJDGQISDRPYQBF-UHFFFAOYSA-N 0 0 412.357 6.119 40 0 HKABRN CCOc1cc(C(=S)N2CCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000033733860 569351193 /nfs/dbraw/zinc/35/11/93/569351193.db2.gz KOBYNPDZPAOQSW-UHFFFAOYSA-N 0 0 410.366 5.742 40 0 HKABRN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1-c1ccccc1 ZINC000033735701 569351224 /nfs/dbraw/zinc/35/12/24/569351224.db2.gz QKSDJGLTFRYCJG-UHFFFAOYSA-N 0 0 406.510 6.883 40 0 HKABRN COc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1 ZINC000033735990 569351208 /nfs/dbraw/zinc/35/12/08/569351208.db2.gz AQUDQIFCNOJYCB-UHFFFAOYSA-N 0 0 410.901 5.287 40 0 HKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 ZINC000033736734 569351207 /nfs/dbraw/zinc/35/12/07/569351207.db2.gz ILOKFLKLLPRMQR-UHFFFAOYSA-N 0 0 404.510 5.196 40 0 HKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1C ZINC000033736777 569351223 /nfs/dbraw/zinc/35/12/23/569351223.db2.gz RBYALQHJGKMJSZ-UHFFFAOYSA-N 0 0 408.929 5.895 40 0 HKABRN CC1CCN(C(=S)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)CC1 ZINC000033737669 569351188 /nfs/dbraw/zinc/35/11/88/569351188.db2.gz RBHMSAASLGJEMP-UHFFFAOYSA-N 0 0 416.554 5.049 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OCC ZINC000033737706 569351200 /nfs/dbraw/zinc/35/12/00/569351200.db2.gz XJNSJGIMIUFMAA-UHFFFAOYSA-N 0 0 414.299 5.652 40 0 HKABRN O=C(CSc1cccc2ccccc21)Nc1ccc(Br)c2ccccc12 ZINC000033739472 569351182 /nfs/dbraw/zinc/35/11/82/569351182.db2.gz NCFVUFQCKNIRHC-UHFFFAOYSA-N 0 0 422.347 6.486 40 0 HKABRN Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1C ZINC000033739804 569351284 /nfs/dbraw/zinc/35/12/84/569351284.db2.gz LGQYSJMWQKZCRN-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c(Cl)c1 ZINC000033739870 559239475 /nfs/dbraw/zinc/23/94/75/559239475.db2.gz DJBVNQAYCHFVMG-UHFFFAOYSA-N 0 0 421.953 5.777 40 0 HKABRN CCCOc1c(Br)cc(C(=O)Nc2cc(C)ccc2C)cc1OCC ZINC000033740240 569351250 /nfs/dbraw/zinc/35/12/50/569351250.db2.gz GINUGLWEEMPZCS-UHFFFAOYSA-N 0 0 406.320 5.506 40 0 HKABRN CCn1c(SCc2cccc3ccccc32)nnc1-c1cc(OC)cc(OC)c1 ZINC000033740688 569351292 /nfs/dbraw/zinc/35/12/92/569351292.db2.gz QKAAYOAZIGSHPO-UHFFFAOYSA-N 0 0 405.523 5.428 40 0 HKABRN O=S(=O)(Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1)c1ccc2ccccc2c1 ZINC000033741418 569351276 /nfs/dbraw/zinc/35/12/76/569351276.db2.gz YGWAGEBGKUWSPM-UHFFFAOYSA-N 0 0 417.574 6.180 40 0 HKABRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccc2ccccc2c1 ZINC000033741714 569351296 /nfs/dbraw/zinc/35/12/96/569351296.db2.gz VLKDGVZYAFBFOU-UHFFFAOYSA-N 0 0 423.969 5.610 40 0 HKABRN CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000033743328 569351239 /nfs/dbraw/zinc/35/12/39/569351239.db2.gz CBBTYFYDIIGNEG-OAHLLOKOSA-N 0 0 414.962 5.043 40 0 HKABRN CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000033743329 569351268 /nfs/dbraw/zinc/35/12/68/569351268.db2.gz CBBTYFYDIIGNEG-HNNXBMFYSA-N 0 0 414.962 5.043 40 0 HKABRN CCOc1c(Br)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC ZINC000033743383 569351238 /nfs/dbraw/zinc/35/12/38/569351238.db2.gz DMLABEMNYOISLO-UHFFFAOYSA-N 0 0 419.102 5.416 40 0 HKABRN S=C(c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)N1CCOCC1 ZINC000033746837 569351290 /nfs/dbraw/zinc/35/12/90/569351290.db2.gz CZIVRAAMBUINAA-UHFFFAOYSA-N 0 0 416.757 5.234 40 0 HKABRN Cc1ccc(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000033749133 569351264 /nfs/dbraw/zinc/35/12/64/569351264.db2.gz TZYIXTUBXSBVHL-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN CCOc1cc(C(=S)N2CCCC2)cc(Br)c1OCc1ccccc1 ZINC000033750731 569351251 /nfs/dbraw/zinc/35/12/51/569351251.db2.gz HSZXPJIJHYRHEK-UHFFFAOYSA-N 0 0 420.372 5.198 40 0 HKABRN CCc1ccc(O[C@@H](C)c2nnc(SCc3ccc(Cl)cc3Cl)n2C)cc1 ZINC000033750790 569351291 /nfs/dbraw/zinc/35/12/91/569351291.db2.gz VVTVBHWCFVRNQJ-ZDUSSCGKSA-N 0 0 422.381 6.117 40 0 HKABRN CCc1ccc(O[C@H](C)c2nnc(SCc3ccc(Cl)cc3Cl)n2C)cc1 ZINC000033750791 569351283 /nfs/dbraw/zinc/35/12/83/569351283.db2.gz VVTVBHWCFVRNQJ-CYBMUJFWSA-N 0 0 422.381 6.117 40 0 HKABRN CCCOc1c(Cl)cc(C(=O)Nc2cccc(Br)c2)cc1OCC ZINC000033750799 560858539 /nfs/dbraw/zinc/85/85/39/560858539.db2.gz DCKPAKXRFCLSPM-UHFFFAOYSA-N 0 0 412.711 5.542 40 0 HKABRN O=C(COc1ccc(Cl)cc1Br)Nc1ccc(OC(F)(F)F)cc1 ZINC000033756971 558771360 /nfs/dbraw/zinc/77/13/60/558771360.db2.gz BMNAZJJYJDKPFL-UHFFFAOYSA-N 0 0 424.600 5.019 40 0 HKABRN COc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000033757209 568698521 /nfs/dbraw/zinc/69/85/21/568698521.db2.gz UHHHXKQBLOAAKA-UHFFFAOYSA-N 0 0 415.518 5.226 40 0 HKABRN O=C(COc1ccc(CNc2ccc(F)cc2)cc1Cl)Nc1ccc(F)cc1 ZINC000033759990 569351288 /nfs/dbraw/zinc/35/12/88/569351288.db2.gz AESPTHLAQJRQAE-UHFFFAOYSA-N 0 0 402.828 5.248 40 0 HKABRN CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000033761404 569351243 /nfs/dbraw/zinc/35/12/43/569351243.db2.gz GBXIVGKEKCQXDR-UHFFFAOYSA-N 0 0 422.550 5.227 40 0 HKABRN CCOc1cc(C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCC ZINC000033762655 569351293 /nfs/dbraw/zinc/35/12/93/569351293.db2.gz NCLVGICSMJHFQK-UHFFFAOYSA-N 0 0 412.711 5.461 40 0 HKABRN CCOc1cccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)c1 ZINC000033763129 568698684 /nfs/dbraw/zinc/69/86/84/568698684.db2.gz PSVCXEALUUFPIO-BOPFTXTBSA-N 0 0 418.312 5.084 40 0 HKABRN O=c1c2ccccc2nc(SCCOc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000033765046 568698699 /nfs/dbraw/zinc/69/86/99/568698699.db2.gz IDFOYKAIEWWZCK-UHFFFAOYSA-N 0 0 408.910 5.210 40 0 HKABRN CN(C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)c1ccccc1 ZINC000033766157 569351319 /nfs/dbraw/zinc/35/13/19/569351319.db2.gz JSFCYFUDHHEPCO-UHFFFAOYSA-N 0 0 410.433 5.818 40 0 HKABRN CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000033768350 569351335 /nfs/dbraw/zinc/35/13/35/569351335.db2.gz WUFSCBZSNYZAEI-UHFFFAOYSA-N 0 0 422.500 5.416 40 0 HKABRN CCCCOc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000033769487 569351326 /nfs/dbraw/zinc/35/13/26/569351326.db2.gz ZSCKXJRZFOGVDB-UHFFFAOYSA-N 0 0 418.489 5.581 40 0 HKABRN CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 ZINC000033771313 569351334 /nfs/dbraw/zinc/35/13/34/569351334.db2.gz NBEXIMCGPGUZSP-UHFFFAOYSA-N 0 0 420.509 5.032 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1F ZINC000033773101 569351314 /nfs/dbraw/zinc/35/13/14/569351314.db2.gz OJEVPZJPYLCLQI-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 ZINC000033775956 569351348 /nfs/dbraw/zinc/35/13/48/569351348.db2.gz UBDSNFVJQGZVSV-UHFFFAOYSA-N 0 0 422.956 6.149 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc(Cl)ccc3Cl)o2)cc1C ZINC000033776158 569351337 /nfs/dbraw/zinc/35/13/37/569351337.db2.gz JSAUVIQMHDAKBK-UHFFFAOYSA-N 0 0 419.333 5.997 40 0 HKABRN CC(C)c1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000033780513 559245014 /nfs/dbraw/zinc/24/50/14/559245014.db2.gz DOSFQEQWILETSG-UHFFFAOYSA-N 0 0 415.562 5.939 40 0 HKABRN O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000033783065 569351418 /nfs/dbraw/zinc/35/14/18/569351418.db2.gz OAKLBKJPRZTHSB-UHFFFAOYSA-N 0 0 401.293 6.106 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000033784490 569351403 /nfs/dbraw/zinc/35/14/03/569351403.db2.gz NJYNZVMVLXWHAP-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN Cc1ccccc1N(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000033784581 569351427 /nfs/dbraw/zinc/35/14/27/569351427.db2.gz PALHAUSEZDISSU-UHFFFAOYSA-N 0 0 406.334 5.697 40 0 HKABRN CCOc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000033784838 569351406 /nfs/dbraw/zinc/35/14/06/569351406.db2.gz WNWCYIASTTUBRS-UHFFFAOYSA-N 0 0 404.510 5.332 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000033785104 569351390 /nfs/dbraw/zinc/35/13/90/569351390.db2.gz KJKYTVHWYYFRGB-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN Cc1cc(C)c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C)c1 ZINC000033785371 560858728 /nfs/dbraw/zinc/85/87/28/560858728.db2.gz BKUIFLSZIKGDSI-UHFFFAOYSA-N 0 0 423.390 6.260 40 0 HKABRN Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)cc3)nc2c1 ZINC000033787264 569351429 /nfs/dbraw/zinc/35/14/29/569351429.db2.gz SFTLPAKQZUBLDY-UHFFFAOYSA-N 0 0 422.484 6.932 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 ZINC000033789724 558771414 /nfs/dbraw/zinc/77/14/14/558771414.db2.gz WQXKZMBOQPIELY-YDXVBCDDSA-N 0 0 417.549 5.648 40 0 HKABRN C[C@H](NC(=O)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000033789795 558771553 /nfs/dbraw/zinc/77/15/53/558771553.db2.gz JJHGYKITNHLJFA-XVQUNYFWSA-N 0 0 420.435 5.441 40 0 HKABRN C[C@@H](NC(=O)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000033789796 558771421 /nfs/dbraw/zinc/77/14/21/558771421.db2.gz JJHGYKITNHLJFA-DVAHGIKASA-N 0 0 420.435 5.441 40 0 HKABRN Fc1cccc(COc2ccc(Br)cc2C(=S)N2CCCCC2)c1 ZINC000033792558 569351389 /nfs/dbraw/zinc/35/13/89/569351389.db2.gz PFQIVHUNKHFROI-UHFFFAOYSA-N 0 0 408.336 5.329 40 0 HKABRN CCOc1c(Cl)cc(C(=O)Nc2ccc(C)c(C)c2)cc1OCc1ccccc1 ZINC000033793702 569351370 /nfs/dbraw/zinc/35/13/70/569351370.db2.gz IFKGLCXRWNGRPF-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN Cc1cc(C)cc(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000033794101 569351378 /nfs/dbraw/zinc/35/13/78/569351378.db2.gz OQPBHUBNYUTPSW-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN CCn1c(COc2ccccc2OC)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000033794245 569351391 /nfs/dbraw/zinc/35/13/91/569351391.db2.gz PZYBUWQWZLJGFN-UHFFFAOYSA-N 0 0 424.353 5.485 40 0 HKABRN CCCOc1c(Br)cc(C(=O)Nc2cccc(C)c2C)cc1OCC ZINC000033795278 569351410 /nfs/dbraw/zinc/35/14/10/569351410.db2.gz ZFDORQLNCVCLLD-UHFFFAOYSA-N 0 0 406.320 5.506 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1C ZINC000033797293 569351405 /nfs/dbraw/zinc/35/14/05/569351405.db2.gz XRFPRSPKJZAAIY-UHFFFAOYSA-N 0 0 403.865 5.983 40 0 HKABRN Cc1cccc(C)c1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000033803328 569351364 /nfs/dbraw/zinc/35/13/64/569351364.db2.gz GXMLAOJSGIXSIK-UHFFFAOYSA-N 0 0 409.363 5.952 40 0 HKABRN S=C(c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)N1CCCCC1 ZINC000033806848 569351372 /nfs/dbraw/zinc/35/13/72/569351372.db2.gz UAZMWGXOVYFXKB-UHFFFAOYSA-N 0 0 414.785 6.387 40 0 HKABRN CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000033806967 569351411 /nfs/dbraw/zinc/35/14/11/569351411.db2.gz SJFFHXIOBXTEDR-UHFFFAOYSA-N 0 0 418.537 5.640 40 0 HKABRN COc1ccc2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(=O)oc2c1 ZINC000033809355 558771511 /nfs/dbraw/zinc/77/15/11/558771511.db2.gz TWZSVZDKCLQHEV-UHFFFAOYSA-N 0 0 421.836 5.500 40 0 HKABRN COc1ccc2cc(C(=O)Nc3ccccc3Sc3ccccc3)c(=O)oc2c1 ZINC000033809443 558771482 /nfs/dbraw/zinc/77/14/82/558771482.db2.gz KEOQBSULNPKHMV-UHFFFAOYSA-N 0 0 403.459 5.205 40 0 HKABRN CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000033820606 569052246 /nfs/dbraw/zinc/05/22/46/569052246.db2.gz LGJMUZUPVCAVPU-GJAZBXDESA-N 0 0 416.734 8.105 40 0 in-vitro HKABRN CC(=O)O/C(C)=C1/CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000033848823 568698435 /nfs/dbraw/zinc/69/84/35/568698435.db2.gz DQHKOPGHSPUDFM-RDKLMWBYSA-N 0 0 400.559 5.718 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000033856091 569351432 /nfs/dbraw/zinc/35/14/32/569351432.db2.gz VUKBPEPKMWPLCJ-UHFFFAOYSA-N 0 0 412.352 6.302 40 0 HKABRN CC1CCN(C(=S)c2cc(Br)ccc2OCc2cccc(F)c2)CC1 ZINC000033859629 569351489 /nfs/dbraw/zinc/35/14/89/569351489.db2.gz XUJCAIDXNJIBLJ-UHFFFAOYSA-N 0 0 422.363 5.575 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nc5ccccc5s4)c3)o2)cc1C ZINC000033860495 569351490 /nfs/dbraw/zinc/35/14/90/569351490.db2.gz JYJUDYVIZJUSFV-UHFFFAOYSA-N 0 0 424.525 7.092 40 0 HKABRN CCc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1 ZINC000033862442 569351473 /nfs/dbraw/zinc/35/14/73/569351473.db2.gz ZSALJSAJYBLQJW-UHFFFAOYSA-N 0 0 401.963 5.020 40 0 HKABRN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(-c3ccc(C)c(C)c3)o1)CCCC2 ZINC000033870600 569351484 /nfs/dbraw/zinc/35/14/84/569351484.db2.gz JGFPUHDOWXURKJ-UHFFFAOYSA-N 0 0 423.534 5.933 40 0 HKABRN CCOc1c(Cl)cc(C(=O)Nc2cccc(C)c2C)cc1OCc1ccccc1 ZINC000033871064 569351451 /nfs/dbraw/zinc/35/14/51/569351451.db2.gz NSHRBKXYWILPEK-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CC1=C(C(=O)OC(C)(C)C)C(c2ccccc2Cl)C(C(=O)OC(C)(C)C)=C(C)N1 ZINC000033874773 558772070 /nfs/dbraw/zinc/77/20/70/558772070.db2.gz BVWBHYFAHPBXMI-UHFFFAOYSA-N 0 0 419.949 5.258 40 0 HKABRN Cc1cccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000033879943 568698305 /nfs/dbraw/zinc/69/83/05/568698305.db2.gz WOTMJNKGJQRYCK-UHFFFAOYSA-N 0 0 406.334 5.697 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000033902804 558771962 /nfs/dbraw/zinc/77/19/62/558771962.db2.gz LNGLEOIUQBVRRY-XYLRQVFISA-N 0 0 400.647 6.856 40 0 HKABRN Cc1ccc(NCN2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)c(C)c1 ZINC000033907148 569351526 /nfs/dbraw/zinc/35/15/26/569351526.db2.gz RCNDLSDTJGLEHI-LICLKQGHSA-N 0 0 417.328 5.172 40 0 HKABRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)o1 ZINC000033908418 569351531 /nfs/dbraw/zinc/35/15/31/569351531.db2.gz UZXBSESEDMDNHF-UNOMPAQXSA-N 0 0 406.419 5.404 40 0 HKABRN O=C1S/C(=C\c2ccccc2Cl)C(=O)N1CNc1cccc(Br)c1 ZINC000033921521 568698337 /nfs/dbraw/zinc/69/83/37/568698337.db2.gz YRLDRJXDDACBPV-NVNXTCNLSA-N 0 0 423.719 5.208 40 0 HKABRN O=C1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000033926918 558435212 /nfs/dbraw/zinc/43/52/12/558435212.db2.gz CRLQJTSACHTAGF-JUDWXZBOSA-N 0 0 403.525 6.209 40 0 HKABRN O=C1[C@@H](c2ccccc2)[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000033926919 558434990 /nfs/dbraw/zinc/43/49/90/558434990.db2.gz CRLQJTSACHTAGF-YVHASNINSA-N 0 0 403.525 6.209 40 0 HKABRN Clc1ccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000033941535 569351520 /nfs/dbraw/zinc/35/15/20/569351520.db2.gz KEBYZNCAUCDDID-UHFFFAOYSA-N 0 0 424.356 6.805 40 0 HKABRN CC(=O)OC[C@H](OC(C)=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000033950267 568698670 /nfs/dbraw/zinc/69/86/70/568698670.db2.gz RZMRLFZKLOVKNA-QBTNRFHPSA-N 0 0 404.591 5.530 40 0 HKABRN CC(=O)OC[C@@H](OC(C)=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000033950273 569351538 /nfs/dbraw/zinc/35/15/38/569351538.db2.gz RZMRLFZKLOVKNA-ZZPPOGJJSA-N 0 0 404.591 5.530 40 0 HKABRN COc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCc2ccccc2)cc1 ZINC000034011641 558772703 /nfs/dbraw/zinc/77/27/03/558772703.db2.gz GXAWUBYOPVAHKZ-UHFFFAOYSA-N 0 0 418.536 7.180 40 0 in-vitro HKABRN CC(C)CCC[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 ZINC000034169038 290694313 /nfs/dbraw/zinc/69/43/13/290694313.db2.gz YMMFNKXZULYSOQ-UGQNCKOESA-N 0 0 420.678 5.554 40 0 biogenic,in-vitro HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000034187260 291287912 /nfs/dbraw/zinc/28/79/12/291287912.db2.gz HKHHYUSFWJROEJ-UXWTYBCRSA-N 0 0 404.679 6.584 40 0 biogenic,in-vitro HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)C(=O)CCC[C@]4(C)[C@H]3CC[C@]12C ZINC000034294298 568698736 /nfs/dbraw/zinc/69/87/36/568698736.db2.gz KTMRGGHFNOAMRH-ZLLXVZCVSA-N 0 0 402.663 6.792 40 0 HKABRN CCC(=O)[C@H]1[C@H](CC)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000034340928 568698798 /nfs/dbraw/zinc/69/87/98/568698798.db2.gz XFFDYWGJZFMHBB-KKFNWEDRSA-N 0 0 400.603 6.112 40 0 HKABRN CCOc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000034378539 569351522 /nfs/dbraw/zinc/35/15/22/569351522.db2.gz FJZRBLUXZQHYPT-XQNSMLJCSA-N 0 0 416.908 5.882 40 0 HKABRN CC(C)CCC[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 ZINC000034576029 558782280 /nfs/dbraw/zinc/78/22/80/558782280.db2.gz LZHRRGGNNXYJOT-KEDFQAJKSA-N 0 0 402.663 6.360 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000034629790 558782192 /nfs/dbraw/zinc/78/21/92/558782192.db2.gz NWQBDOPDVUJEGJ-DDLCNDOBSA-N 0 0 404.679 6.439 40 0 HKABRN CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1[C@H](O)c1ccccc1F ZINC000034654712 558782514 /nfs/dbraw/zinc/78/25/14/558782514.db2.gz ZHFUSBZXTDCTPY-MRXNPFEDSA-N 0 0 401.356 5.153 40 0 HKABRN CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1[C@@H](O)c1ccccc1F ZINC000034654714 558782517 /nfs/dbraw/zinc/78/25/17/558782517.db2.gz ZHFUSBZXTDCTPY-INIZCTEOSA-N 0 0 401.356 5.153 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccccc3I)o2)cc1C ZINC000034687667 569351521 /nfs/dbraw/zinc/35/15/21/569351521.db2.gz HQZLDKVUAHKZBT-UHFFFAOYSA-N 0 0 417.246 5.420 40 0 HKABRN Cc1cccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)ccc3o2)c1 ZINC000034703547 569351512 /nfs/dbraw/zinc/35/15/12/569351512.db2.gz CKFPQYZCHBELHX-UHFFFAOYSA-N 0 0 422.484 6.932 40 0 HKABRN Cn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1Cl ZINC000034704946 569351519 /nfs/dbraw/zinc/35/15/19/569351519.db2.gz OZQFHQIVWVYAAO-UHFFFAOYSA-N 0 0 419.164 6.388 40 0 HKABRN O=C(c1ccccc1Cl)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 ZINC000034713857 557395232 /nfs/dbraw/zinc/39/52/32/557395232.db2.gz PWLRFSGCYPTTSM-OAZSGATJSA-N 0 0 406.869 5.963 40 0 HKABRN O=C(CN1CCCCC1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000034718938 569048005 /nfs/dbraw/zinc/04/80/05/569048005.db2.gz IFAGTGSSDRZZGP-NFUVXALQSA-N 0 0 413.565 5.296 40 0 HKABRN CC(C)c1ccccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000034736970 569351494 /nfs/dbraw/zinc/35/14/94/569351494.db2.gz BYUGQRCNFLROLC-UHFFFAOYSA-N 0 0 423.390 6.458 40 0 HKABRN Cc1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)ccc1Br ZINC000034765152 558783801 /nfs/dbraw/zinc/78/38/01/558783801.db2.gz WKIKPGKCSRUBJM-UHFFFAOYSA-N 0 0 415.139 6.531 40 0 HKABRN OCc1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000034772831 557017305 /nfs/dbraw/zinc/01/73/05/557017305.db2.gz VISZODWVDKHBQH-UHFFFAOYSA-N 0 0 422.116 5.436 40 0 HKABRN CC1=C(C(=O)OC(C)(C)C)C(c2ccc(Cl)cc2)C(C(=O)OC(C)(C)C)=C(C)N1 ZINC000034781701 558783897 /nfs/dbraw/zinc/78/38/97/558783897.db2.gz DQXAUPAMUJAGTF-UHFFFAOYSA-N 0 0 419.949 5.258 40 0 HKABRN Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000034784112 557454552 /nfs/dbraw/zinc/45/45/52/557454552.db2.gz JIPFBNWOAPTVPU-UHFFFAOYSA-N 0 0 421.953 5.777 40 0 HKABRN S=C(c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)N1CCOCC1 ZINC000034794002 569351608 /nfs/dbraw/zinc/35/16/08/569351608.db2.gz TYNYUKKLWQAOLH-UHFFFAOYSA-N 0 0 416.757 5.234 40 0 HKABRN Cc1ccc(C)c(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000034828493 569351559 /nfs/dbraw/zinc/35/15/59/569351559.db2.gz HFFCZHFGTXLUBU-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c(Cl)c1 ZINC000034836635 569351560 /nfs/dbraw/zinc/35/15/60/569351560.db2.gz BEMRPQSFEFOTBH-UHFFFAOYSA-N 0 0 424.283 6.328 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)cc1 ZINC000034853160 569292666 /nfs/dbraw/zinc/29/26/66/569292666.db2.gz HHEDIVNBGNEIHF-UHFFFAOYSA-N 0 0 412.127 5.739 40 0 HKABRN CCc1cccc(C)c1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000034860873 569351566 /nfs/dbraw/zinc/35/15/66/569351566.db2.gz ZPAQIFKMQUEOBZ-UHFFFAOYSA-N 0 0 423.390 6.206 40 0 HKABRN C=CCOc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000034865080 569351607 /nfs/dbraw/zinc/35/16/07/569351607.db2.gz MEXPCXXGCPNBNQ-UNOMPAQXSA-N 0 0 415.898 5.544 40 0 HKABRN COc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000034868727 557028509 /nfs/dbraw/zinc/02/85/09/557028509.db2.gz XODQCFDEEYUFHW-UHFFFAOYSA-N 0 0 424.393 5.988 40 0 HKABRN O=C(/C=C\c1ccccc1)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000034871651 558786117 /nfs/dbraw/zinc/78/61/17/558786117.db2.gz JOOYPKRHTHZXRM-WDZFZDKYSA-N 0 0 409.272 6.454 40 0 HKABRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(Cl)c2Cl)c1 ZINC000034930624 557096821 /nfs/dbraw/zinc/09/68/21/557096821.db2.gz VGPULTWIQHLWJC-UHFFFAOYSA-N 0 0 424.353 5.249 40 0 HKABRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000034930626 560858751 /nfs/dbraw/zinc/85/87/51/560858751.db2.gz JTZFDQJJQLMYDX-UHFFFAOYSA-N 0 0 424.353 5.249 40 0 HKABRN CCCCCn1cc(C(=O)c2cccc3ccccc32)cc1-c1ccccc1Cl ZINC000034947165 568834216 /nfs/dbraw/zinc/83/42/16/568834216.db2.gz SUELCWQJMQQCTF-UHFFFAOYSA-N 0 0 401.937 7.383 40 0 in-vivo HKABRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cc(Br)ccc1OC ZINC000034965518 569351623 /nfs/dbraw/zinc/35/16/23/569351623.db2.gz VRCXBHFCWXOHGH-GFCCVEGCSA-N 0 0 421.360 5.098 40 0 HKABRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cc(Br)ccc1OC ZINC000034965520 569351671 /nfs/dbraw/zinc/35/16/71/569351671.db2.gz VRCXBHFCWXOHGH-LBPRGKRZSA-N 0 0 421.360 5.098 40 0 HKABRN O=C(Nc1ccc(Br)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000034981731 557107362 /nfs/dbraw/zinc/10/73/62/557107362.db2.gz VBVVUGIKUZSTCK-UHFFFAOYSA-N 0 0 411.082 6.268 40 0 HKABRN CCOc1c(Br)cc(CNc2cccc(Cl)c2)cc1Br ZINC000034990097 557139538 /nfs/dbraw/zinc/13/95/38/557139538.db2.gz MWPZKRPPTRCMIB-UHFFFAOYSA-N 0 0 419.544 5.876 40 0 HKABRN CCOc1ccc(NCc2cc(Br)cc(Br)c2OC)cc1 ZINC000035014447 557256960 /nfs/dbraw/zinc/25/69/60/557256960.db2.gz OSFFKCDRVDCRFN-UHFFFAOYSA-N 0 0 415.125 5.231 40 0 HKABRN COc1c(Br)cc(Br)cc1CNc1ccc(F)c(Cl)c1 ZINC000035018418 557259051 /nfs/dbraw/zinc/25/90/51/557259051.db2.gz XEQDUXWDFKESKG-UHFFFAOYSA-N 0 0 423.507 5.625 40 0 HKABRN COc1c(Br)cc(CNc2ccc(F)c(Cl)c2)cc1Br ZINC000035018419 557259036 /nfs/dbraw/zinc/25/90/36/557259036.db2.gz SKDWPVLNQHASRO-UHFFFAOYSA-N 0 0 423.507 5.625 40 0 HKABRN COc1cc(Br)c(CNc2ccc(Br)cc2C)cc1OC ZINC000035018451 557259352 /nfs/dbraw/zinc/25/93/52/557259352.db2.gz HKPSFKBIJXQICL-UHFFFAOYSA-N 0 0 415.125 5.149 40 0 HKABRN CCCOc1ccc(Br)cc1CNc1ccc(Br)cc1C ZINC000035018458 557259346 /nfs/dbraw/zinc/25/93/46/557259346.db2.gz ZBDWBDDXRPUNKK-UHFFFAOYSA-N 0 0 413.153 5.921 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(Br)ccc1Cl ZINC000035024909 557260619 /nfs/dbraw/zinc/26/06/19/557260619.db2.gz LYROXBMNVPPRJA-UHFFFAOYSA-N 0 0 413.020 6.027 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000035033169 557260477 /nfs/dbraw/zinc/26/04/77/557260477.db2.gz YIGWOKYLCVPSEG-ZXQYGXPFSA-N 0 0 404.679 6.439 40 0 HKABRN CC(C)CCC[C@@H](C)[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 ZINC000035033171 558787977 /nfs/dbraw/zinc/78/79/77/558787977.db2.gz APYVEUGLZHAHDJ-XZPSAQQASA-N 0 0 404.679 6.439 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000035033190 557260511 /nfs/dbraw/zinc/26/05/11/557260511.db2.gz YIGWOKYLCVPSEG-JEDGHXOGSA-N 0 0 404.679 6.439 40 0 HKABRN CC(C)CCC[C@@H](C)[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 ZINC000035033194 558787963 /nfs/dbraw/zinc/78/79/63/558787963.db2.gz APYVEUGLZHAHDJ-BOKMIASKSA-N 0 0 404.679 6.439 40 0 HKABRN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cc2ccccc2o1 ZINC000035073966 569351624 /nfs/dbraw/zinc/35/16/24/569351624.db2.gz YMWDUWKEMIZERY-UHFFFAOYSA-N 0 0 415.832 6.112 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)ccc3o2)cc1 ZINC000035074296 569351649 /nfs/dbraw/zinc/35/16/49/569351649.db2.gz CXAQUOLYPDMHJK-UHFFFAOYSA-N 0 0 422.484 6.932 40 0 HKABRN O=C(Nc1ccc(Br)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000035078140 557294834 /nfs/dbraw/zinc/29/48/34/557294834.db2.gz YQTHVTOTKUDOML-UHFFFAOYSA-N 0 0 419.278 5.190 40 0 HKABRN O=C(Nc1ccc(Cl)cc1Cl)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000035078147 557295179 /nfs/dbraw/zinc/29/51/79/557295179.db2.gz CFANDBNQOPWLLG-UHFFFAOYSA-N 0 0 409.272 5.735 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000035078168 557295228 /nfs/dbraw/zinc/29/52/28/557295228.db2.gz DRSLRFUBNOGLPV-UHFFFAOYSA-N 0 0 409.272 5.735 40 0 HKABRN Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4cccc(C)c4)o3)n2)cc1 ZINC000035078264 557295177 /nfs/dbraw/zinc/29/51/77/557295177.db2.gz OUSFJQZYFKMCRZ-UHFFFAOYSA-N 0 0 422.535 5.208 40 0 HKABRN CC1CCN(C(=S)c2cc(Br)ccc2OCc2ccc(F)cc2)CC1 ZINC000035104983 569351662 /nfs/dbraw/zinc/35/16/62/569351662.db2.gz FEGVQLGMGRMHRW-UHFFFAOYSA-N 0 0 422.363 5.575 40 0 HKABRN O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)Nc1cccc(Cl)c1Cl ZINC000035105220 569351638 /nfs/dbraw/zinc/35/16/38/569351638.db2.gz HPCZGQXMCBMWBU-UHFFFAOYSA-N 0 0 423.299 5.818 40 0 HKABRN CC(=O)c1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000035107541 557345568 /nfs/dbraw/zinc/34/55/68/557345568.db2.gz GJLCPMIXWBSTHG-UHFFFAOYSA-N 0 0 423.346 5.538 40 0 HKABRN Cc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000035126447 557388857 /nfs/dbraw/zinc/38/88/57/557388857.db2.gz JPBIWOXHPBVEEB-RCCKNPSSSA-N 0 0 417.306 5.592 40 0 HKABRN O=C(COc1ccc(Br)cc1)Nc1cccc(Cl)c1N1CCCCC1 ZINC000035126732 569351650 /nfs/dbraw/zinc/35/16/50/569351650.db2.gz KWCVNWMADSKCRN-UHFFFAOYSA-N 0 0 423.738 5.110 40 0 HKABRN CCOc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000035128704 569351653 /nfs/dbraw/zinc/35/16/53/569351653.db2.gz WNSJUKPNFIKXET-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN CCOc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000035131168 557409224 /nfs/dbraw/zinc/40/92/24/557409224.db2.gz AGVHMTJPHJOGJU-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN O=C(Nc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1)c1ccccc1 ZINC000035146716 557455968 /nfs/dbraw/zinc/45/59/68/557455968.db2.gz HBKFLWKOVDFVPV-UHFFFAOYSA-N 0 0 404.554 6.047 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(I)cc3)o2)cc1C ZINC000035155492 557474875 /nfs/dbraw/zinc/47/48/75/557474875.db2.gz IWKDMRHUMUYHEW-UHFFFAOYSA-N 0 0 417.246 5.420 40 0 HKABRN COc1cc(CNc2ccc(Br)cc2C)cc(Br)c1OC ZINC000035163852 558788748 /nfs/dbraw/zinc/78/87/48/558788748.db2.gz AVXNAGATCPNATJ-UHFFFAOYSA-N 0 0 415.125 5.149 40 0 HKABRN Cc1ccc(SCc2nnc(NC(=O)c3ccc(Br)cc3)s2)cc1 ZINC000035167449 557498265 /nfs/dbraw/zinc/49/82/65/557498265.db2.gz JPQFRNOXZPKEOA-UHFFFAOYSA-N 0 0 420.357 5.154 40 0 HKABRN CC1=C(C(=O)OC(C)(C)C)C(c2cccc(Cl)c2)C(C(=O)OC(C)(C)C)=C(C)N1 ZINC000035181710 558788955 /nfs/dbraw/zinc/78/89/55/558788955.db2.gz ZWRWUGYRVUDOOY-UHFFFAOYSA-N 0 0 419.949 5.258 40 0 HKABRN CCOP(=O)(OCC)[C@@H](/C=C(\Cl)c1ccc(Br)cc1)N(C)C ZINC000035185374 558789141 /nfs/dbraw/zinc/78/91/41/558789141.db2.gz ZGLZTKBZSIIJCD-SZGZABIGSA-N 0 0 410.676 5.183 40 0 HKABRN CCOP(=O)(OCC)[C@H](/C=C(\Cl)c1ccc(Br)cc1)N(C)C ZINC000035185376 558789122 /nfs/dbraw/zinc/78/91/22/558789122.db2.gz ZGLZTKBZSIIJCD-QKXCFHHRSA-N 0 0 410.676 5.183 40 0 HKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@H](Nc1ccccn1)C(Cl)(Cl)Cl ZINC000035185515 557521944 /nfs/dbraw/zinc/52/19/44/557521944.db2.gz PQOGPQCDZDICOM-KQTLUZQSSA-N 0 0 422.784 5.377 40 0 HKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)N[C@H](Nc1ccccn1)C(Cl)(Cl)Cl ZINC000035185516 557521981 /nfs/dbraw/zinc/52/19/81/557521981.db2.gz PQOGPQCDZDICOM-NHIYQJMISA-N 0 0 422.784 5.377 40 0 HKABRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@H](Nc1ccccn1)C(Cl)(Cl)Cl ZINC000035185518 557522171 /nfs/dbraw/zinc/52/21/71/557522171.db2.gz PQOGPQCDZDICOM-CTASWTNQSA-N 0 0 422.784 5.377 40 0 HKABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)N[C@H](Nc1ccccn1)C(Cl)(Cl)Cl ZINC000035185521 557522189 /nfs/dbraw/zinc/52/21/89/557522189.db2.gz PQOGPQCDZDICOM-AYDFFVQHSA-N 0 0 422.784 5.377 40 0 HKABRN O=C1[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccccc1 ZINC000035196425 557552238 /nfs/dbraw/zinc/55/22/38/557552238.db2.gz DNSLOEAIBOMUHM-USXZWKKNSA-N 0 0 403.481 5.110 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1Cl ZINC000035200185 569351708 /nfs/dbraw/zinc/35/17/08/569351708.db2.gz WITTYGPEHXGVLJ-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN S=C(Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCCC1 ZINC000035200375 557548909 /nfs/dbraw/zinc/54/89/09/557548909.db2.gz DJUIAJVWYKSBMS-UHFFFAOYSA-N 0 0 422.604 5.879 40 0 HKABRN O=C(Nc1cccc(F)c1)c1sc(=S)n2c1[nH]c(=O)c1cc(Cl)ccc12 ZINC000035201762 558789215 /nfs/dbraw/zinc/78/92/15/558789215.db2.gz CKJHJBYRDBOECA-UHFFFAOYSA-N 0 0 405.863 5.029 40 0 HKABRN O=C1NC(=S)SC1=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000035213827 557573368 /nfs/dbraw/zinc/57/33/68/557573368.db2.gz CTTUKDUHLBTIQV-AUWJEWJLSA-N 0 0 414.310 6.041 40 0 HKABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 ZINC000035264079 569351709 /nfs/dbraw/zinc/35/17/09/569351709.db2.gz MEBHTBSEVOSDOL-MRXNPFEDSA-N 0 0 422.912 6.022 40 0 HKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 ZINC000035264080 569351688 /nfs/dbraw/zinc/35/16/88/569351688.db2.gz MEBHTBSEVOSDOL-INIZCTEOSA-N 0 0 422.912 6.022 40 0 HKABRN CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000035264082 569351734 /nfs/dbraw/zinc/35/17/34/569351734.db2.gz KYEJEDDPNSMBLE-MRXNPFEDSA-N 0 0 422.912 6.022 40 0 HKABRN CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000035264083 557655415 /nfs/dbraw/zinc/65/54/15/557655415.db2.gz KYEJEDDPNSMBLE-INIZCTEOSA-N 0 0 422.912 6.022 40 0 HKABRN O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccc(Cl)c1 ZINC000035264151 557657960 /nfs/dbraw/zinc/65/79/60/557657960.db2.gz BNQLCPIJAJEHFA-UHFFFAOYSA-N 0 0 419.695 6.151 40 0 HKABRN O=C(Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1cccc(Cl)c1 ZINC000035264237 557657956 /nfs/dbraw/zinc/65/79/56/557657956.db2.gz SJNZUOMBUFQSLT-UHFFFAOYSA-N 0 0 419.695 6.151 40 0 HKABRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000035264247 557658014 /nfs/dbraw/zinc/65/80/14/557658014.db2.gz MVEZKSGVOLVZQA-KPKJPENVSA-N 0 0 421.840 5.152 40 0 HKABRN O=C(OCC1c2ccccc2-c2ccccc21)N1Cc2nc(Cl)nc(Cl)c2C1 ZINC000035269842 558878722 /nfs/dbraw/zinc/87/87/22/558878722.db2.gz KDHGOSCKKDVTGX-UHFFFAOYSA-N 0 0 412.276 5.048 40 0 HKABRN Cc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000035269858 557661971 /nfs/dbraw/zinc/66/19/71/557661971.db2.gz LFHUPKYHLIOFSU-UHFFFAOYSA-N 0 0 423.925 5.028 40 0 HKABRN Cc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 ZINC000035269868 557662001 /nfs/dbraw/zinc/66/20/01/557662001.db2.gz OYYALJMIWJHTPY-UHFFFAOYSA-N 0 0 423.925 5.028 40 0 HKABRN COc1ccc(Cn2c(C)nc3cc(NC(=O)c4ccc(Cl)cc4)c(C)nc32)cc1 ZINC000035288558 557668164 /nfs/dbraw/zinc/66/81/64/557668164.db2.gz AUJJBCWOQOONAJ-UHFFFAOYSA-N 0 0 420.900 5.011 40 0 HKABRN Cc1nc2cc(NC(=O)Nc3ccccc3Cl)c(C)nc2n1Cc1ccccc1 ZINC000035288565 557668371 /nfs/dbraw/zinc/66/83/71/557668371.db2.gz ZBKJVBUXPBSYEL-UHFFFAOYSA-N 0 0 405.889 5.394 40 0 HKABRN CCn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCc1ccc(C)cc1 ZINC000035288654 557668598 /nfs/dbraw/zinc/66/85/98/557668598.db2.gz LVIZHSBULSVKPT-UHFFFAOYSA-N 0 0 421.595 5.634 40 0 HKABRN CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3cc2CC2CCCC2)c1 ZINC000035288708 557668605 /nfs/dbraw/zinc/66/86/05/557668605.db2.gz QEGQWUQLXPVSMJ-UHFFFAOYSA-N 0 0 418.562 5.901 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)CSc1nnc2c(n1)-c1cccc3cccc-2c13 ZINC000035288805 557673726 /nfs/dbraw/zinc/67/37/26/557673726.db2.gz DRERHIMHWCCUQZ-UHFFFAOYSA-N 0 0 418.909 5.365 40 0 HKABRN CCC(=O)Nc1cc(NC(=O)CSc2nc3ccc(C)cc3cc2CC)ccc1C ZINC000035288870 557673968 /nfs/dbraw/zinc/67/39/68/557673968.db2.gz RBHLWKJNAJGFFN-UHFFFAOYSA-N 0 0 421.566 5.493 40 0 HKABRN Cc1ccc(NC(=O)CSc2nnc3c(n2)-c2cccc4cccc-3c24)cc1Cl ZINC000035288948 557669583 /nfs/dbraw/zinc/66/95/83/557669583.db2.gz FFAOTECOQHMCIL-UHFFFAOYSA-N 0 0 418.909 5.365 40 0 HKABRN O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 ZINC000035289592 557672560 /nfs/dbraw/zinc/67/25/60/557672560.db2.gz NKCCLYVCNLQHGD-QFIPXVFZSA-N 0 0 419.912 5.642 40 0 HKABRN O=C(Nc1ccccc1-c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 ZINC000035289593 557672502 /nfs/dbraw/zinc/67/25/02/557672502.db2.gz NKCCLYVCNLQHGD-JOCHJYFZSA-N 0 0 419.912 5.642 40 0 HKABRN COc1ccc(CN(Cc2cc3ccc(C)c(C)c3nc2Cl)C(=O)C2CC2)cc1 ZINC000035289725 557672998 /nfs/dbraw/zinc/67/29/98/557672998.db2.gz LKBICVJAWWMSTF-UHFFFAOYSA-N 0 0 408.929 5.452 40 0 HKABRN COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)Nc1ccccc1C ZINC000035289727 557672995 /nfs/dbraw/zinc/67/29/95/557672995.db2.gz PWOBHEGJVHPTDA-UHFFFAOYSA-N 0 0 411.933 5.494 40 0 HKABRN COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)Nc1ccccc1F ZINC000035289729 557672914 /nfs/dbraw/zinc/67/29/14/557672914.db2.gz FPRPAPPJSXWTQE-UHFFFAOYSA-N 0 0 415.896 5.325 40 0 HKABRN Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=O)c3ccccc3)c(Cl)nc2c1 ZINC000035290140 557674186 /nfs/dbraw/zinc/67/41/86/557674186.db2.gz VTVJYXNOOCSMTK-UHFFFAOYSA-N 0 0 415.924 5.743 40 0 HKABRN Cc1cc(C)c2nc(Cl)c(CN(Cc3ccccc3)C(=O)c3cnccn3)cc2c1 ZINC000035290185 557674356 /nfs/dbraw/zinc/67/43/56/557674356.db2.gz LXOOUQJNWZWSMZ-UHFFFAOYSA-N 0 0 416.912 5.138 40 0 HKABRN Cc1cc(C)c2nc(Cl)c(CN(Cc3cccnc3)C(=O)c3ccccc3)cc2c1 ZINC000035290186 557674411 /nfs/dbraw/zinc/67/44/11/557674411.db2.gz HOFQVJKHHADYPC-UHFFFAOYSA-N 0 0 415.924 5.743 40 0 HKABRN Cc1cc(C)c2nc(Cl)c(CN(Cc3cccnc3)C(=O)c3ccco3)cc2c1 ZINC000035290194 557674337 /nfs/dbraw/zinc/67/43/37/557674337.db2.gz IJBITXCBLYWVRL-UHFFFAOYSA-N 0 0 405.885 5.336 40 0 HKABRN Fc1ccc(CN(CCc2nc3ccccc3[nH]2)C(=S)Nc2ccccc2)cc1 ZINC000035290196 557674326 /nfs/dbraw/zinc/67/43/26/557674326.db2.gz WMUCBPVBABNSQQ-UHFFFAOYSA-N 0 0 404.514 5.144 40 0 HKABRN Cc1cccc(NC(=S)N(CCc2nc3ccccc3[nH]2)Cc2ccc(F)cc2)c1 ZINC000035290198 557674571 /nfs/dbraw/zinc/67/45/71/557674571.db2.gz CRHOTQYRUQAHCB-UHFFFAOYSA-N 0 0 418.541 5.452 40 0 HKABRN Cc1ccc(NC(=S)N(CCc2nc3ccccc3[nH]2)Cc2ccc(F)cc2)cc1 ZINC000035290200 557674484 /nfs/dbraw/zinc/67/44/84/557674484.db2.gz CGAUNEKAEBIIRZ-UHFFFAOYSA-N 0 0 418.541 5.452 40 0 HKABRN Fc1ccc(CN(CCc2nc3ccccc3[nH]2)C(=S)Nc2ccc(F)cc2)cc1 ZINC000035290205 557674518 /nfs/dbraw/zinc/67/45/18/557674518.db2.gz XSZQWHGMDJTWHE-UHFFFAOYSA-N 0 0 422.504 5.283 40 0 HKABRN Cc1ccc(CN(CCc2nc3ccccc3[nH]2)C(=S)Nc2ccc(F)cc2)cc1 ZINC000035290207 557674581 /nfs/dbraw/zinc/67/45/81/557674581.db2.gz NBHFWCMGAVFHAR-UHFFFAOYSA-N 0 0 418.541 5.452 40 0 HKABRN Cc1sc2nc(C3CC3)nc(SCc3nnc(-c4ccc(C)cc4)o3)c2c1C ZINC000035290885 557676468 /nfs/dbraw/zinc/67/64/68/557676468.db2.gz MCYHPBFUTOPABJ-UHFFFAOYSA-N 0 0 408.552 5.836 40 0 HKABRN CC(C)c1nc2ccccc2c(SCC(=O)Nc2ccccc2Br)n1 ZINC000035290900 557676442 /nfs/dbraw/zinc/67/64/42/557676442.db2.gz XTERKZWSOSPMOL-UHFFFAOYSA-N 0 0 416.344 5.247 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)CSc1nc(C(C)C)nc2ccccc21 ZINC000035290902 557676481 /nfs/dbraw/zinc/67/64/81/557676481.db2.gz DQDOZOXPSSHZSJ-UHFFFAOYSA-N 0 0 401.919 5.146 40 0 HKABRN O=C(CSc1nc(Cc2ccccc2)nc2ccccc21)Nc1ccccc1F ZINC000035290904 557676453 /nfs/dbraw/zinc/67/64/53/557676453.db2.gz PKAXAWKJRAVLLR-UHFFFAOYSA-N 0 0 403.482 5.091 40 0 HKABRN CC(C)c1nc2ccccc2c(SCC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000035290923 557676691 /nfs/dbraw/zinc/67/66/91/557676691.db2.gz TUFLNQNRJPZAOG-UHFFFAOYSA-N 0 0 405.445 5.503 40 0 HKABRN Cc1cc2cc(CN(Cc3cccnc3)C(=O)c3cccs3)c(Cl)nc2cc1C ZINC000035290983 557677159 /nfs/dbraw/zinc/67/71/59/557677159.db2.gz AKZKOCASANSXPW-UHFFFAOYSA-N 0 0 421.953 5.804 40 0 HKABRN CCc1cccc(C)c1NC(=O)CSc1nnc2c(n1)-c1cccc3cccc-2c13 ZINC000035291157 558789392 /nfs/dbraw/zinc/78/93/92/558789392.db2.gz DZUREZYEXNKBLL-UHFFFAOYSA-N 0 0 412.518 5.274 40 0 HKABRN Cc1cccc(NC(=O)N(CCc2nc3ccccc3[nH]2)Cc2ccc(F)cc2)c1 ZINC000035291237 557678544 /nfs/dbraw/zinc/67/85/44/557678544.db2.gz PJQRMMWVUOJEID-UHFFFAOYSA-N 0 0 402.473 5.287 40 0 HKABRN Cc1ccc(NC(=O)N(CCc2nc3ccccc3[nH]2)Cc2ccc(F)cc2)cc1 ZINC000035291242 557678529 /nfs/dbraw/zinc/67/85/29/557678529.db2.gz PASRIWYVFAUAOT-UHFFFAOYSA-N 0 0 402.473 5.287 40 0 HKABRN CCc1ccccc1NC(=O)N(CCc1nc2ccccc2[nH]1)Cc1ccc(F)cc1 ZINC000035291244 557678512 /nfs/dbraw/zinc/67/85/12/557678512.db2.gz XRMUWXOEEFCLOL-UHFFFAOYSA-N 0 0 416.500 5.541 40 0 HKABRN O=C(Nc1ccc(F)cc1)N(CCc1nc2ccccc2[nH]1)Cc1ccc(F)cc1 ZINC000035291246 557678580 /nfs/dbraw/zinc/67/85/80/557678580.db2.gz LGLSEAUJBMJKHM-UHFFFAOYSA-N 0 0 406.436 5.118 40 0 HKABRN CCc1cc2ccc(C)c(C)c2nc1SCC(=O)Nc1cccc(NC(C)=O)c1 ZINC000035291444 557678780 /nfs/dbraw/zinc/67/87/80/557678780.db2.gz CGEZPUXVXZHOEJ-UHFFFAOYSA-N 0 0 407.539 5.103 40 0 HKABRN CC(C)c1nc2ccccc2c(SCC(=O)Nc2ccccc2-c2ccccc2)n1 ZINC000035291543 557679278 /nfs/dbraw/zinc/67/92/78/557679278.db2.gz IQGKTUUDIXHWFX-UHFFFAOYSA-N 0 0 413.546 6.151 40 0 HKABRN CCOc1ccc2nc(Cl)c(CN(Cc3ccco3)C(=O)c3ccncc3)cc2c1 ZINC000035291705 557679706 /nfs/dbraw/zinc/67/97/06/557679706.db2.gz JVDABOAIUZWNCT-UHFFFAOYSA-N 0 0 421.884 5.118 40 0 HKABRN O=C(CSc1nc(COc2ccccc2)nc2ccccc21)Nc1cccc(F)c1 ZINC000035292056 557680172 /nfs/dbraw/zinc/68/01/72/557680172.db2.gz KNAKUXRKEQSYAO-UHFFFAOYSA-N 0 0 419.481 5.079 40 0 HKABRN COc1ccc(C(=O)CSc2nc(COc3ccccc3)nc3ccccc32)cc1 ZINC000035292065 557680162 /nfs/dbraw/zinc/68/01/62/557680162.db2.gz WCSJUHYQXCSRRF-UHFFFAOYSA-N 0 0 416.502 5.192 40 0 HKABRN Cc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)Nc3ccccc3)cc2c1 ZINC000035311112 557693285 /nfs/dbraw/zinc/69/32/85/557693285.db2.gz RRYUTWBEUADSFU-UHFFFAOYSA-N 0 0 421.953 6.492 40 0 HKABRN CCOc1ccc2nc(Cl)c(CN(Cc3cccnc3)C(=O)c3ccco3)cc2c1 ZINC000035311148 557693228 /nfs/dbraw/zinc/69/32/28/557693228.db2.gz FVSWNCQGLRQMKK-UHFFFAOYSA-N 0 0 421.884 5.118 40 0 HKABRN Cc1ccc(CN(CCc2nc3ccccc3[nH]2)C(=O)Nc2ccc(F)cc2)cc1 ZINC000035311580 557687383 /nfs/dbraw/zinc/68/73/83/557687383.db2.gz APKJKSOQESFCKY-UHFFFAOYSA-N 0 0 402.473 5.287 40 0 HKABRN O=C(CSc1nc2ccccc2cc1CC1CCCC1)Nc1ccc2c(c1)OCO2 ZINC000035311590 557687358 /nfs/dbraw/zinc/68/73/58/557687358.db2.gz HAXCVHWGAHJDIB-UHFFFAOYSA-N 0 0 420.534 5.427 40 0 HKABRN COCCN(Cc1cc2cc(C)ccc2nc1Cl)C(=O)Nc1cccc(F)c1 ZINC000035311767 557687651 /nfs/dbraw/zinc/68/76/51/557687651.db2.gz HEXPCFFAKOHESF-UHFFFAOYSA-N 0 0 401.869 5.016 40 0 HKABRN COCCN(Cc1cc2cc(C)ccc2nc1Cl)C(=O)Nc1ccccc1F ZINC000035311768 557687622 /nfs/dbraw/zinc/68/76/22/557687622.db2.gz RFBCYRDFERGWGL-UHFFFAOYSA-N 0 0 401.869 5.016 40 0 HKABRN Cc1ccc2cc(CN(Cc3cccnc3)C(=O)c3ccccc3)c(Cl)nc2c1C ZINC000035311770 557687822 /nfs/dbraw/zinc/68/78/22/557687822.db2.gz INSJMSCLSFATGH-UHFFFAOYSA-N 0 0 415.924 5.743 40 0 HKABRN CCc1cc2cc(C)c(C)cc2nc1SCC(=O)Nc1cccc(NC(C)=O)c1 ZINC000035311954 557687817 /nfs/dbraw/zinc/68/78/17/557687817.db2.gz CKUAWZLCCKQWSZ-UHFFFAOYSA-N 0 0 407.539 5.103 40 0 HKABRN Cc1cccc2cc(-c3nc4ccc(Cl)cn4c3NCc3ccco3)c(=O)[nH]c12 ZINC000035312116 557688009 /nfs/dbraw/zinc/68/80/09/557688009.db2.gz HFRWCBQGBZIVQX-UHFFFAOYSA-N 0 0 404.857 5.010 40 0 HKABRN Cc1ccc2cc(CN(Cc3cccnc3)C(=O)c3ccco3)c(Cl)nc2c1C ZINC000035312123 557688039 /nfs/dbraw/zinc/68/80/39/557688039.db2.gz TUEDDYMPYHKECT-UHFFFAOYSA-N 0 0 405.885 5.336 40 0 HKABRN Cc1cccc2cc(CN(Cc3ccccc3)C(=O)c3ccccc3F)c(Cl)nc12 ZINC000035312140 557688081 /nfs/dbraw/zinc/68/80/81/557688081.db2.gz VGHOMQMJDBHWQX-UHFFFAOYSA-N 0 0 418.899 6.178 40 0 HKABRN CCC(=O)Nc1cccc(NC(=O)CSc2nc(C(C)(C)C)nc3ccccc32)c1 ZINC000035312157 557688055 /nfs/dbraw/zinc/68/80/55/557688055.db2.gz HSFOUVUIIBZXHG-UHFFFAOYSA-N 0 0 422.554 5.007 40 0 HKABRN Cc1ccc(NC(=O)N(Cc2ccco2)Cc2cc3cccc(C)c3nc2Cl)cc1 ZINC000035312293 557688122 /nfs/dbraw/zinc/68/81/22/557688122.db2.gz FTBXSUWYGJYKNF-UHFFFAOYSA-N 0 0 419.912 6.332 40 0 HKABRN Cc1cc(C)c2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)c3ccco3)cc2c1 ZINC000035312361 557688224 /nfs/dbraw/zinc/68/82/24/557688224.db2.gz VATCXDVPTJHBFC-UHFFFAOYSA-N 0 0 422.887 6.080 40 0 HKABRN COc1cccc(-c2nc3ccc(F)cc3c(SCC(=O)Nc3ccccc3)n2)c1 ZINC000035312778 557688533 /nfs/dbraw/zinc/68/85/33/557688533.db2.gz QMWFMQCKJGYCCB-UHFFFAOYSA-N 0 0 419.481 5.175 40 0 HKABRN O=C(c1ccc(F)cc1)C1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000035313146 557688904 /nfs/dbraw/zinc/68/89/04/557688904.db2.gz GGUDIWPHYLZRLR-UHFFFAOYSA-N 0 0 402.469 5.679 40 0 HKABRN O=C(CN1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1cccc2ccccc21 ZINC000035313154 557688909 /nfs/dbraw/zinc/68/89/09/557688909.db2.gz YYBWWRHPMBIXSI-UHFFFAOYSA-N 0 0 406.913 5.027 40 0 HKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000035313671 557689402 /nfs/dbraw/zinc/68/94/02/557689402.db2.gz IIJNHOCBQMKAPI-UHFFFAOYSA-N 0 0 421.541 5.172 40 0 HKABRN CCC(=O)N1CCc2cc(-c3nc(NC(=O)CC4CCCCC4)sc3C)ccc21 ZINC000035313934 557689603 /nfs/dbraw/zinc/68/96/03/557689603.db2.gz OEAHSXADZKALRT-UHFFFAOYSA-N 0 0 411.571 5.327 40 0 HKABRN Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1 ZINC000035313967 557689677 /nfs/dbraw/zinc/68/96/77/557689677.db2.gz GLNKHBADIPZUHN-UHFFFAOYSA-N 0 0 412.533 5.195 40 0 HKABRN O=C(Nc1cccc(F)c1)N(CCc1nc2ccccc2[nH]1)Cc1ccc(F)cc1 ZINC000035314007 557689610 /nfs/dbraw/zinc/68/96/10/557689610.db2.gz HDFAYIUJIJZOJA-UHFFFAOYSA-N 0 0 406.436 5.118 40 0 HKABRN CCc1nnc(NC(=O)CSc2nc3ccccc3cc2CC2CCCC2)s1 ZINC000035314059 557689874 /nfs/dbraw/zinc/68/98/74/557689874.db2.gz HGQBOSOEACWXMP-UHFFFAOYSA-N 0 0 412.584 5.112 40 0 HKABRN Cc1ccccc1NC(=O)N(CCc1nc2ccccc2[nH]1)Cc1ccc(F)cc1 ZINC000035314218 557689841 /nfs/dbraw/zinc/68/98/41/557689841.db2.gz FXXRTSZSXCPPNS-UHFFFAOYSA-N 0 0 402.473 5.287 40 0 HKABRN O=C(Nc1nc(SCCOc2ccccc2)ns1)Nc1ccccc1Cl ZINC000035314230 557689821 /nfs/dbraw/zinc/68/98/21/557689821.db2.gz ASOGUUYVQOMNGB-UHFFFAOYSA-N 0 0 406.920 5.007 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1cccc2cc(O)ccc21 ZINC000035314704 558789960 /nfs/dbraw/zinc/78/99/60/558789960.db2.gz MUQSAGJAEANWOR-WEVVVXLNSA-N 0 0 417.317 5.379 40 0 HKABRN O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)Nc1cccc2ccccc21 ZINC000035315023 557690658 /nfs/dbraw/zinc/69/06/58/557690658.db2.gz MNTGGPJBVZWCNR-UHFFFAOYSA-N 0 0 410.502 5.509 40 0 HKABRN O=C(Nc1ccccc1-c1ccccc1)C1CCN(c2nc3ccccc3s2)CC1 ZINC000035315112 557690629 /nfs/dbraw/zinc/69/06/29/557690629.db2.gz SJJUQVMPNRXXET-UHFFFAOYSA-N 0 0 413.546 5.818 40 0 HKABRN O=C(CN1CCC(C(=O)c2ccc(F)cc2)CC1)Nc1ccccc1-c1ccccc1 ZINC000035315484 557690880 /nfs/dbraw/zinc/69/08/80/557690880.db2.gz FISIRBJUOZXGEA-UHFFFAOYSA-N 0 0 416.496 5.026 40 0 HKABRN CCOc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)C3CC3)cc2c1 ZINC000035316003 557691297 /nfs/dbraw/zinc/69/12/97/557691297.db2.gz RBECGFUDXDIZRO-UHFFFAOYSA-N 0 0 400.931 5.287 40 0 HKABRN Cc1ccc2[nH]c(Cc3ccc(NC(=O)[C@@H](C)Oc4ccc(F)cc4)cc3)nc2c1 ZINC000035316708 557691564 /nfs/dbraw/zinc/69/15/64/557691564.db2.gz QJFOIXWYJYEPQO-MRXNPFEDSA-N 0 0 403.457 5.007 40 0 HKABRN Cc1ccc2[nH]c(Cc3ccc(NC(=O)[C@H](C)Oc4ccc(F)cc4)cc3)nc2c1 ZINC000035316711 557691550 /nfs/dbraw/zinc/69/15/50/557691550.db2.gz QJFOIXWYJYEPQO-INIZCTEOSA-N 0 0 403.457 5.007 40 0 HKABRN Cc1cc(-c2csc(NC(=O)C3(c4ccccc4F)CCOCC3)n2)c(C)s1 ZINC000035316931 557691776 /nfs/dbraw/zinc/69/17/76/557691776.db2.gz IVSQPQXWSXDXPU-UHFFFAOYSA-N 0 0 416.543 5.314 40 0 HKABRN Cc1cc(-c2csc(NC(=O)C3(c4cccc(C)c4)CCOCC3)n2)c(C)s1 ZINC000035316934 557691769 /nfs/dbraw/zinc/69/17/69/557691769.db2.gz ZUVLYCQIVCROKX-UHFFFAOYSA-N 0 0 412.580 5.484 40 0 HKABRN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000035316987 557691829 /nfs/dbraw/zinc/69/18/29/557691829.db2.gz NFKQHXINJJIWPC-CQSZACIVSA-N 0 0 408.889 5.417 40 0 HKABRN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000035316988 557691799 /nfs/dbraw/zinc/69/17/99/557691799.db2.gz NFKQHXINJJIWPC-AWEZNQCLSA-N 0 0 408.889 5.417 40 0 HKABRN CCOc1ccccc1-c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000035316994 557691816 /nfs/dbraw/zinc/69/18/16/557691816.db2.gz QAPWCDVIJUYUPZ-UHFFFAOYSA-N 0 0 418.880 6.313 40 0 HKABRN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000035317015 557691818 /nfs/dbraw/zinc/69/18/18/557691818.db2.gz HIYWNLYFAKQHQS-OAHLLOKOSA-N 0 0 419.916 5.219 40 0 HKABRN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000035317016 557691820 /nfs/dbraw/zinc/69/18/20/557691820.db2.gz HIYWNLYFAKQHQS-HNNXBMFYSA-N 0 0 419.916 5.219 40 0 HKABRN Cc1cc(-c2csc(NC(=O)C3(c4cccc(F)c4)CCOCC3)n2)c(C)s1 ZINC000035317039 557691814 /nfs/dbraw/zinc/69/18/14/557691814.db2.gz ANTIOEPKUDNZLR-UHFFFAOYSA-N 0 0 416.543 5.314 40 0 HKABRN COc1ccc(-c2cc(C(=O)Nc3nc(-c4cc(C)sc4C)cs3)n[nH]2)cc1 ZINC000035317078 557691781 /nfs/dbraw/zinc/69/17/81/557691781.db2.gz HYKLVZGVTYIRSI-UHFFFAOYSA-N 0 0 410.524 5.139 40 0 HKABRN CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)Nc2cc3cc(C)oc3c(Cl)c2)nn1 ZINC000035317097 557691997 /nfs/dbraw/zinc/69/19/97/557691997.db2.gz JPXYTXIOAOPVLH-IBGZPJMESA-N 0 0 412.852 5.377 40 0 HKABRN CC[C@H](c1ccc(F)cc1)n1cc(C(=O)Nc2cc3cc(C)oc3c(Cl)c2)nn1 ZINC000035317101 557692084 /nfs/dbraw/zinc/69/20/84/557692084.db2.gz JPXYTXIOAOPVLH-LJQANCHMSA-N 0 0 412.852 5.377 40 0 HKABRN COc1cccc(CC[C@H]2CCCCN2C(=O)c2ccc(-n3nc(C)cc3C)cc2)c1 ZINC000035317109 557691986 /nfs/dbraw/zinc/69/19/86/557691986.db2.gz UDALWBDUUNLWDT-HSZRJFAPSA-N 0 0 417.553 5.125 40 0 HKABRN COc1cccc(CC[C@@H]2CCCCN2C(=O)c2ccc(-n3nc(C)cc3C)cc2)c1 ZINC000035317112 557692009 /nfs/dbraw/zinc/69/20/09/557692009.db2.gz UDALWBDUUNLWDT-QHCPKHFHSA-N 0 0 417.553 5.125 40 0 HKABRN Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4cc(C)sc4C)cs3)cc2)n1 ZINC000035317119 557692070 /nfs/dbraw/zinc/69/20/70/557692070.db2.gz VZUBQFJQGDOIFJ-UHFFFAOYSA-N 0 0 408.552 5.543 40 0 HKABRN CCOc1ccccc1-c1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)no1 ZINC000035322651 557692185 /nfs/dbraw/zinc/69/21/85/557692185.db2.gz QEFIUTOUYLZYAZ-UHFFFAOYSA-N 0 0 402.425 5.799 40 0 HKABRN COc1cccc(-c2noc(CCC(=O)Nc3cc4cc(C)oc4c(Cl)c3)n2)c1 ZINC000035322681 557692181 /nfs/dbraw/zinc/69/21/81/557692181.db2.gz MSOAHIYLGHFWAA-UHFFFAOYSA-N 0 0 411.845 5.025 40 0 HKABRN Cc1c2cc(Cl)ccc2n(C)c1C(=O)Nc1ccccc1OCc1ccccn1 ZINC000035322765 557692389 /nfs/dbraw/zinc/69/23/89/557692389.db2.gz ASLPXBCNIVNSMG-UHFFFAOYSA-N 0 0 405.885 5.366 40 0 HKABRN Cn1c2cccc3nc(-c4ccccc4)cc(-c4ccccc4)c(c23)c1-c1ccccc1 ZINC000035325100 558790243 /nfs/dbraw/zinc/79/02/43/558790243.db2.gz XKQLUGFNZRMEHC-UHFFFAOYSA-N 0 0 410.520 7.728 40 0 HKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)c2cccc(C)c2)cc1 ZINC000035328677 557692478 /nfs/dbraw/zinc/69/24/78/557692478.db2.gz IXGXCHUMQJYOBG-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(OC(F)(F)F)cc1 ZINC000035330554 558790237 /nfs/dbraw/zinc/79/02/37/558790237.db2.gz VABAFDLNQRJDGG-UHFFFAOYSA-N 0 0 424.600 5.019 40 0 HKABRN O=C1S/C(=C\c2cccc(OCc3ccccc3)c2)C(=O)N1c1cccc(Cl)c1 ZINC000035339440 557692858 /nfs/dbraw/zinc/69/28/58/557692858.db2.gz SFBQFWNPCFJRMC-BKUYFWCQSA-N 0 0 421.905 6.160 40 0 HKABRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(Cl)c1N1CCCCC1 ZINC000035351267 557694475 /nfs/dbraw/zinc/69/44/75/557694475.db2.gz TUAWCALDDABVIG-CSKARUKUSA-N 0 0 420.296 5.544 40 0 HKABRN Cc1cccc(C2=N/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C(=O)O2)c1 ZINC000035362007 557698011 /nfs/dbraw/zinc/69/80/11/557698011.db2.gz AWHARVAXDVTOCW-STZFKDTASA-N 0 0 403.865 5.572 40 0 HKABRN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)Nc1cccc(Cl)c1Cl ZINC000035362468 569351684 /nfs/dbraw/zinc/35/16/84/569351684.db2.gz RBMGFYNSOOHLNA-UHFFFAOYSA-N 0 0 422.259 5.022 40 0 HKABRN CCc1nnc2sc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(Cl)cc4)c3)nn12 ZINC000035400724 569351728 /nfs/dbraw/zinc/35/17/28/569351728.db2.gz LDLQOMPQBWCQTQ-YRNVUSSQSA-N 0 0 423.929 5.029 40 0 HKABRN S=C(c1cc(Br)ccc1OCc1ccc(Cl)cc1)N1CCCCC1 ZINC000035405204 557709122 /nfs/dbraw/zinc/70/91/22/557709122.db2.gz HIYRECDBMHWDDG-UHFFFAOYSA-N 0 0 424.791 5.843 40 0 HKABRN CC(=O)O[C@H](C)[C@]1(C)CCC2=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C[C@H](OC(C)=O)CC[C@]12C ZINC000035415697 569357964 /nfs/dbraw/zinc/35/79/64/569357964.db2.gz PFGGRDCYFHNFSS-QOLRKYBBSA-N 0 0 416.602 5.983 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000035415704 569357983 /nfs/dbraw/zinc/35/79/83/569357983.db2.gz VUCDSTCRVYGRSG-HZAFHUMQSA-N 0 0 400.647 6.568 40 0 HKABRN O=C(NC(=S)Nc1cccc2cc(O)ccc21)c1ccc(-c2cccc(Cl)c2)o1 ZINC000035419888 557712328 /nfs/dbraw/zinc/71/23/28/557712328.db2.gz VGUFPNMHQPIYNC-UHFFFAOYSA-N 0 0 422.893 5.586 40 0 HKABRN c1ccc(CN2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1 ZINC000035425489 291299275 /nfs/dbraw/zinc/29/92/75/291299275.db2.gz VKYDGONYYAMZDK-NRFANRHFSA-N 0 0 404.514 5.180 40 0 biogenic,in-vitro HKABRN Fc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1 ZINC000035425502 291298397 /nfs/dbraw/zinc/29/83/97/291298397.db2.gz BSFJENRWMMYKEU-NRFANRHFSA-N 0 0 422.504 5.319 40 0 biogenic,in-vitro HKABRN Cc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1 ZINC000035425527 291297598 /nfs/dbraw/zinc/29/75/98/291297598.db2.gz BQFGPDARWUEBJK-QFIPXVFZSA-N 0 0 418.541 5.489 40 0 biogenic,in-vitro HKABRN COC(=O)CCC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@]4(C)C=C[C@]3(C4)CC[C@H]12 ZINC000035459251 291293047 /nfs/dbraw/zinc/29/30/47/291293047.db2.gz CNEWEMXPRRKCTL-ALGSGBDSSA-N 0 0 402.575 5.452 40 0 biogenic,in-vitro HKABRN COC(=O)CCC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@]4(C)C=C[C@]3(C4)CC[C@H]12 ZINC000035459254 291293075 /nfs/dbraw/zinc/29/30/75/291293075.db2.gz CNEWEMXPRRKCTL-LAXOWTJVSA-N 0 0 402.575 5.452 40 0 biogenic,in-vitro HKABRN CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNc3ccc(F)cc3)cc12 ZINC000035533869 557743870 /nfs/dbraw/zinc/74/38/70/557743870.db2.gz KZVHZEHWWKNLHU-UHFFFAOYSA-N 0 0 424.907 5.416 40 0 HKABRN CCCCCCOc1ccc(C(=O)Oc2ccc(O)cc2)cc1OCCCCCC ZINC000035585924 558793673 /nfs/dbraw/zinc/79/36/73/558793673.db2.gz AUEGPGGLGRULRO-UHFFFAOYSA-N 0 0 414.542 6.530 40 0 HKABRN CCOc1ccc(-c2nnc(NC(=O)c3c(C)onc3-c3ccccc3Cl)o2)cc1 ZINC000035589988 569045382 /nfs/dbraw/zinc/04/53/82/569045382.db2.gz KCTGSMMKQRVPHM-UHFFFAOYSA-N 0 0 424.844 5.004 40 0 HKABRN C(=C1/c2ccccc2[C@H]2[C@H]1O[C@@H]1/C(=C\c3ccccc3)c3ccccc3[C@H]12)\c1ccccc1 ZINC000035614434 558794096 /nfs/dbraw/zinc/79/40/96/558794096.db2.gz QTCLDESTKURNLW-ADRPOMLMSA-N 0 0 424.543 7.430 40 0 HKABRN C(=C1/c2ccccc2[C@H]2[C@H]1O[C@@H]1/C(=C\c3ccccc3)c3ccccc3[C@@H]12)\c1ccccc1 ZINC000035614437 558794200 /nfs/dbraw/zinc/79/42/00/558794200.db2.gz QTCLDESTKURNLW-ZFJAOQJISA-N 0 0 424.543 7.430 40 0 HKABRN O=Cc1cc(Br)cc(Br)c1OCc1cccc2ccccc21 ZINC000035657437 569046971 /nfs/dbraw/zinc/04/69/71/569046971.db2.gz YSMLPOQTOBHNGP-UHFFFAOYSA-N 0 0 420.100 5.756 40 0 HKABRN O=Cc1cc(Br)cc(Br)c1OCc1cccc(Cl)c1 ZINC000035668604 569048672 /nfs/dbraw/zinc/04/86/72/569048672.db2.gz XNTCLRYSGPVSAJ-UHFFFAOYSA-N 0 0 404.485 5.257 40 0 HKABRN COc1ccc(Cl)cc1Nc1ccnc2c1cnn2-c1ccc(Cl)c(Cl)c1 ZINC000035681989 558794985 /nfs/dbraw/zinc/79/49/85/558794985.db2.gz YFLIDCRIJBSJNM-UHFFFAOYSA-N 0 0 419.699 6.133 40 0 HKABRN O=C1[C@H](c2ccccc2)[C@@H](c2cccs2)N[C@H](c2cccs2)[C@@H]1c1ccccc1 ZINC000035941692 558796093 /nfs/dbraw/zinc/79/60/93/558796093.db2.gz UCZYTGZNLXWZAW-UEQSERJNSA-N 0 0 415.583 6.332 40 0 HKABRN O=C1[C@@H](c2ccccc2)[C@@H](c2cccs2)N[C@H](c2cccs2)[C@@H]1c1ccccc1 ZINC000035941694 558796102 /nfs/dbraw/zinc/79/61/02/558796102.db2.gz UCZYTGZNLXWZAW-CJRSTVEYSA-N 0 0 415.583 6.332 40 0 HKABRN Cc1cc(C)c(C(=O)P(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1 ZINC000035951172 524244035 /nfs/dbraw/zinc/24/40/35/524244035.db2.gz IFBMOBFQBJZBMV-UHFFFAOYSA-N 0 0 402.474 6.325 40 0 HKABRN CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000035951549 557829750 /nfs/dbraw/zinc/82/97/50/557829750.db2.gz WHDOUJQENVFTIX-BOPFTXTBSA-N 0 0 418.312 5.084 40 0 HKABRN COc1ccc(CCc2cccnc2)cc1Oc1ccc(CCc2cccnc2)cc1 ZINC000035973533 558925380 /nfs/dbraw/zinc/92/53/80/558925380.db2.gz QVMZOCPEMFBHIF-UHFFFAOYSA-N 0 0 410.517 5.848 40 0 HKABRN COC(=O)c1c(C)cccc1/C=C/c1ccc(S(=O)(=O)c2ccc(C)cc2)s1 ZINC000035973545 558796238 /nfs/dbraw/zinc/79/62/38/558796238.db2.gz YRFDGIYVTKSAGZ-MDZDMXLPSA-N 0 0 412.532 5.155 40 0 HKABRN COc1ccc(CCc2ccccn2)cc1Oc1ccc(CCc2ccccn2)cc1 ZINC000035973547 558925386 /nfs/dbraw/zinc/92/53/86/558925386.db2.gz HUVHHJSRWRBIMV-UHFFFAOYSA-N 0 0 410.517 5.848 40 0 HKABRN COc1ccc(/C=C/c2ccncc2)cc1Oc1ccc(/C=C\c2ccncc2)cc1 ZINC000035973579 558796232 /nfs/dbraw/zinc/79/62/32/558796232.db2.gz XNOZNCQZRKZBLL-AWYLAFAOSA-N 0 0 406.485 6.618 40 0 HKABRN COc1ccc(CCc2ccncc2)cc1Oc1ccc(CCc2ccncc2)cc1 ZINC000035973610 558925559 /nfs/dbraw/zinc/92/55/59/558925559.db2.gz XYNGXLWLGUJZRU-UHFFFAOYSA-N 0 0 410.517 5.848 40 0 HKABRN COc1cc(CCc2ccncc2)ccc1Oc1ccc(CCc2ccncc2)cc1 ZINC000035973612 558925584 /nfs/dbraw/zinc/92/55/84/558925584.db2.gz HUJZBDACTOAJIG-UHFFFAOYSA-N 0 0 410.517 5.848 40 0 HKABRN Cc1cccc(NC(=O)Cn2c(=O)sc3c2SC(C)(C)[C@H]2CC[C@@H](C)C[C@H]32)c1 ZINC000035982625 558796370 /nfs/dbraw/zinc/79/63/70/558796370.db2.gz GDPWCXPDRURPNU-PVAVHDDUSA-N 0 0 416.612 5.261 40 0 HKABRN Cc1cccc(NC(=O)Cn2c(=O)sc3c2SC(C)(C)[C@H]2CC[C@H](C)C[C@H]32)c1 ZINC000035982626 558796317 /nfs/dbraw/zinc/79/63/17/558796317.db2.gz GDPWCXPDRURPNU-XIRDDKMYSA-N 0 0 416.612 5.261 40 0 HKABRN O=C1[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000036007138 558796683 /nfs/dbraw/zinc/79/66/83/558796683.db2.gz VXKOXQSDVLPQFM-USXZWKKNSA-N 0 0 421.471 5.249 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)c(OC)c1 ZINC000036014935 557825407 /nfs/dbraw/zinc/82/54/07/557825407.db2.gz ZKTJWMYGKDYXGS-UHFFFAOYSA-N 0 0 424.909 5.886 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC(=O)[C@@]4(O)CCCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000036020273 560086770 /nfs/dbraw/zinc/08/67/70/560086770.db2.gz AYXDXVGGAIDTQI-PLBXSLRGSA-N 0 0 402.663 6.792 40 0 biogenic,in-vitro HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000036043328 291287918 /nfs/dbraw/zinc/28/79/18/291287918.db2.gz AYXDXVGGAIDTQI-RJGGPJCOSA-N 0 0 402.663 6.792 40 0 biogenic,in-vitro HKABRN Clc1ccc(/C=C\c2nc3ccccc3nc2OCc2ccccc2)c(Cl)c1 ZINC000036092281 569027829 /nfs/dbraw/zinc/02/78/29/569027829.db2.gz BMDSKPMHAYPYNM-QBFSEMIESA-N 0 0 407.300 6.686 40 0 HKABRN C[C@H](Oc1nc2ccccc2nc1/C=C\c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000036092283 569027871 /nfs/dbraw/zinc/02/78/71/569027871.db2.gz JLZWOMHNRYVKDX-HECSCLNYSA-N 0 0 421.327 7.247 40 0 HKABRN C[C@@H](Oc1nc2ccccc2nc1/C=C\c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000036092284 569027850 /nfs/dbraw/zinc/02/78/50/569027850.db2.gz JLZWOMHNRYVKDX-OBEJXRGXSA-N 0 0 421.327 7.247 40 0 HKABRN CCOc1ccc(NC(=O)c2sc(N3CCCCC3)nc2-c2ccc(C)cc2)cc1 ZINC000036293470 558798990 /nfs/dbraw/zinc/79/89/90/558798990.db2.gz CTMBHFIPAQOSTL-UHFFFAOYSA-N 0 0 421.566 5.760 40 0 HKABRN Cc1ccc(-c2nc(N3CCCCC3)sc2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000036293476 558798890 /nfs/dbraw/zinc/79/88/90/558798890.db2.gz SCLZWQMMVQXEEF-UHFFFAOYSA-N 0 0 405.567 5.978 40 0 HKABRN COc1ccccc1NC(=O)c1sc(N2CCCCC2)nc1-c1ccc(C)cc1 ZINC000036293480 558798893 /nfs/dbraw/zinc/79/88/93/558798893.db2.gz UKHIPCZHUZGGRD-UHFFFAOYSA-N 0 0 407.539 5.370 40 0 HKABRN COc1ccc(NC(=O)c2sc(N3CCCCC3)nc2-c2ccc(C)cc2)cc1 ZINC000036293497 558798872 /nfs/dbraw/zinc/79/88/72/558798872.db2.gz MHDVNBXVSHMGIS-UHFFFAOYSA-N 0 0 407.539 5.370 40 0 HKABRN CCOc1ccc(NC(=O)c2sc(N3CCCCC3)nc2-c2ccccc2)cc1 ZINC000036293504 558798912 /nfs/dbraw/zinc/79/89/12/558798912.db2.gz KPGJMWVOLNXEMC-UHFFFAOYSA-N 0 0 407.539 5.451 40 0 HKABRN CCCCCn1cc(C(=O)c2cccc3ccccc32)cc1-c1cccc2ccccc21 ZINC000036294630 569125829 /nfs/dbraw/zinc/12/58/29/569125829.db2.gz WVISOUYKTUUDFW-UHFFFAOYSA-N 0 0 417.552 7.883 40 0 in-vivo HKABRN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)/C=C\c5ccccc5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000036370506 557848956 /nfs/dbraw/zinc/84/89/56/557848956.db2.gz BHWKXKHBCVBVDP-XYXSYFPSSA-N 0 0 418.577 6.144 40 0 HKABRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036371727 557848878 /nfs/dbraw/zinc/84/88/78/557848878.db2.gz HYEIEAPRJMJEDC-VKEYYTQXSA-N 0 0 400.691 8.067 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000036371728 557848925 /nfs/dbraw/zinc/84/89/25/557848925.db2.gz HYEIEAPRJMJEDC-IOBFFUQWSA-N 0 0 400.691 8.067 40 0 HKABRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036371735 557848912 /nfs/dbraw/zinc/84/89/12/557848912.db2.gz LPKKNVGOWXICRV-MQLAKOLLSA-N 0 0 402.707 7.859 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000036371736 557848961 /nfs/dbraw/zinc/84/89/61/557848961.db2.gz LPKKNVGOWXICRV-RQIQMKAISA-N 0 0 402.707 7.859 40 0 HKABRN CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CCC2=C3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000036371742 569351695 /nfs/dbraw/zinc/35/16/95/569351695.db2.gz AWYDNKRGSOPYQB-UIOWNMSWSA-N 0 0 400.691 7.779 40 0 HKABRN CC(=O)OC1=Cc2ccc3c(c2CC1)CC[C@@]1(C)[C@H]3CC[C@@H]1[C@H](C)CC[C@H](C)C(C)C ZINC000036371802 557848928 /nfs/dbraw/zinc/84/89/28/557848928.db2.gz FUUPHHVMOSNLTD-JFRXYPKCSA-N 0 0 422.653 7.691 40 0 HKABRN CC(=O)OC1=Cc2ccc3c(c2CC1)CC[C@@]1(C)[C@@H]3CC[C@H]1[C@H](C)CC[C@H](C)C(C)C ZINC000036371803 557848867 /nfs/dbraw/zinc/84/88/67/557848867.db2.gz FUUPHHVMOSNLTD-XENJHGSLSA-N 0 0 422.653 7.691 40 0 HKABRN CC(=O)OC1=Cc2ccc3c(c2CC1)CC[C@]1(C)[C@@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@H]31 ZINC000036371804 557848893 /nfs/dbraw/zinc/84/88/93/557848893.db2.gz FUUPHHVMOSNLTD-VDPKZKBCSA-N 0 0 422.653 7.691 40 0 HKABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@@]12C ZINC000036372114 557848889 /nfs/dbraw/zinc/84/88/89/557848889.db2.gz HXZHKSJRLUJGSY-KVBNRHEQSA-N 0 0 404.591 5.325 40 0 HKABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@@]12C ZINC000036372115 557848922 /nfs/dbraw/zinc/84/89/22/557848922.db2.gz HXZHKSJRLUJGSY-QHJJTWKVSA-N 0 0 404.591 5.325 40 0 HKABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@@]12C ZINC000036372116 557848895 /nfs/dbraw/zinc/84/88/95/557848895.db2.gz HXZHKSJRLUJGSY-UTISNNAQSA-N 0 0 404.591 5.325 40 0 HKABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@@]12C ZINC000036372117 557848931 /nfs/dbraw/zinc/84/89/31/557848931.db2.gz HXZHKSJRLUJGSY-LOCWFNCQSA-N 0 0 404.591 5.325 40 0 HKABRN CC(=O)O[C@H]1CCc2c(ccc3c2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CC[C@H](C)C(C)C)C1 ZINC000036372321 557849091 /nfs/dbraw/zinc/84/90/91/557849091.db2.gz KREGYMYHIDTTHK-YVZLOOKWSA-N 0 0 424.669 7.262 40 0 HKABRN CC(=O)O[C@H]1CCc2c(ccc3c2CC[C@@]2(C)[C@@H]3CC[C@H]2[C@H](C)CC[C@H](C)C(C)C)C1 ZINC000036372322 557849103 /nfs/dbraw/zinc/84/91/03/557849103.db2.gz KREGYMYHIDTTHK-PKRDTYNISA-N 0 0 424.669 7.262 40 0 HKABRN CC(=O)O[C@H]1CCc2c(ccc3c2CC[C@]2(C)[C@@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@H]32)C1 ZINC000036372323 557849084 /nfs/dbraw/zinc/84/90/84/557849084.db2.gz KREGYMYHIDTTHK-BNKFXKGKSA-N 0 0 424.669 7.262 40 0 HKABRN C[C@]12CC[C@H]3[C@H](CCC4C(=O)C(=O)CC[C@H]43)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1 ZINC000036379009 569351721 /nfs/dbraw/zinc/35/17/21/569351721.db2.gz KHKDIUPVDIEHAH-XCIWZNOVSA-N 0 0 414.586 5.896 40 0 HKABRN CC(C)(C)C(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000036387179 569351710 /nfs/dbraw/zinc/35/17/10/569351710.db2.gz VVOIQBFMTVCINR-MALOBWPNSA-N 0 0 414.586 5.293 40 0 world HKABRN C[C@@H](OCCCNC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000036397113 557847844 /nfs/dbraw/zinc/84/78/44/557847844.db2.gz MOCIGAJJUKBTTC-NRSPTQNISA-N 0 0 420.578 5.630 40 0 HKABRN C[C@@H](OCCCNC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000036397115 557847858 /nfs/dbraw/zinc/84/78/58/557847858.db2.gz MOCIGAJJUKBTTC-GIVPXCGWSA-N 0 0 420.578 5.630 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000036409448 557848288 /nfs/dbraw/zinc/84/82/88/557848288.db2.gz NWQBDOPDVUJEGJ-RUXQDQFYSA-N 0 0 404.679 6.439 40 0 HKABRN COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Br ZINC000036425389 557848321 /nfs/dbraw/zinc/84/83/21/557848321.db2.gz ASDSXNWCTZUAQM-YVLHZVERSA-N 0 0 418.312 5.003 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000036435260 557848352 /nfs/dbraw/zinc/84/83/52/557848352.db2.gz NWQBDOPDVUJEGJ-KGCFQABDSA-N 0 0 404.679 6.439 40 0 HKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=CCc1ccccc1)C(=O)c1ccccc1 ZINC000036610873 558800107 /nfs/dbraw/zinc/80/01/07/558800107.db2.gz SQYUSQQNCYCPRO-DNFWBNENSA-N 0 0 404.550 6.203 40 0 HKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C(=CCc1ccccc1)C(=O)c1ccccc1 ZINC000036610874 558800097 /nfs/dbraw/zinc/80/00/97/558800097.db2.gz SQYUSQQNCYCPRO-WIQVOTDZSA-N 0 0 404.550 6.203 40 0 HKABRN COc1cccc(-c2nn(Cc3cc(C)ccc3C)c(-c3cccc(OC)c3)c2C)c1 ZINC000036611249 558726151 /nfs/dbraw/zinc/72/61/51/558726151.db2.gz RTSKGJGMZDITFZ-UHFFFAOYSA-N 0 0 412.533 6.208 40 0 HKABRN COC(=O)c1cccc(Cn2nc(-c3ccc(C)cc3)c(C)c2-c2ccc(C)cc2)c1 ZINC000036611254 558726154 /nfs/dbraw/zinc/72/61/54/558726154.db2.gz CYRGKPNDSDDTHI-UHFFFAOYSA-N 0 0 410.517 5.977 40 0 HKABRN COC(=O)c1ccc(Cn2nc(-c3ccc(C)cc3)c(C)c2-c2ccc(C)cc2)cc1 ZINC000036611255 558726067 /nfs/dbraw/zinc/72/60/67/558726067.db2.gz ZFXATXLWICUDTB-UHFFFAOYSA-N 0 0 410.517 5.977 40 0 HKABRN CCc1c(-c2ccc(OC)cc2)nn(-c2ccc(Cl)cc2)c1-c1ccc(OC)cc1 ZINC000036611260 558726148 /nfs/dbraw/zinc/72/61/48/558726148.db2.gz NFJDCHKQVOZFHV-UHFFFAOYSA-N 0 0 418.924 6.439 40 0 HKABRN CCc1c(-c2ccc(OC)cc2)nn(-c2ccc(C)c(C)c2)c1-c1ccc(OC)cc1 ZINC000036611261 558726082 /nfs/dbraw/zinc/72/60/82/558726082.db2.gz RLVRMHGPUGZDBG-UHFFFAOYSA-N 0 0 412.533 6.403 40 0 HKABRN CCOC(=O)CCn1nc(-c2ccc(C)c(C)c2)c(Cl)c1-c1ccc(C)c(C)c1 ZINC000036611266 558726073 /nfs/dbraw/zinc/72/60/73/558726073.db2.gz GSTQTMDSSMHNQU-UHFFFAOYSA-N 0 0 410.945 6.057 40 0 HKABRN Cc1ccc(-c2cc(-c3ccc(C)cc3C)n(-c3cc(Cl)ccc3Cl)n2)c(C)c1 ZINC000036611282 558726039 /nfs/dbraw/zinc/72/60/39/558726039.db2.gz SJJYERDBNVNYEM-UHFFFAOYSA-N 0 0 421.371 7.747 40 0 HKABRN Cc1ccc(-c2cc(-c3ccc(C)cc3C)n(-c3cc(Cl)cc(Cl)c3)n2)c(C)c1 ZINC000036611286 558726172 /nfs/dbraw/zinc/72/61/72/558726172.db2.gz KUDLZZDSAKWBPM-UHFFFAOYSA-N 0 0 421.371 7.747 40 0 HKABRN COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@H]4CC[C@@]3(C)[C@H]2O)cc1 ZINC000036611824 560882031 /nfs/dbraw/zinc/88/20/31/560882031.db2.gz YMJKZILDEATXRU-RXJYMZPTSA-N 0 0 404.550 5.614 40 0 HKABRN COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@H]4CC[C@]3(C)[C@H]2O)cc1 ZINC000036611825 560882081 /nfs/dbraw/zinc/88/20/81/560882081.db2.gz YMJKZILDEATXRU-UZZDNBOTSA-N 0 0 404.550 5.614 40 0 HKABRN COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@@]3(C)[C@H]2O)cc1 ZINC000036611826 560882074 /nfs/dbraw/zinc/88/20/74/560882074.db2.gz YMJKZILDEATXRU-RCNCOQLGSA-N 0 0 404.550 5.614 40 0 HKABRN COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)[C@H]2O)cc1 ZINC000036611827 560882056 /nfs/dbraw/zinc/88/20/56/560882056.db2.gz YMJKZILDEATXRU-COLGPFJESA-N 0 0 404.550 5.614 40 0 HKABRN COc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc(Br)c1OC ZINC000036611897 558723930 /nfs/dbraw/zinc/72/39/30/558723930.db2.gz WGOCDDRYCBZBFO-HNNXBMFYSA-N 0 0 412.283 5.094 40 0 HKABRN COc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc(Br)c1OC ZINC000036611898 558723892 /nfs/dbraw/zinc/72/38/92/558723892.db2.gz WGOCDDRYCBZBFO-OAHLLOKOSA-N 0 0 412.283 5.094 40 0 HKABRN 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CCO/C=C1\SC(=O)N=C1N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000036633804 520389515 /nfs/dbraw/zinc/38/95/15/520389515.db2.gz SXNNLRQIFUGNPP-ZJYZBMPFSA-N 0 0 411.914 5.634 40 0 HKABRN O=C1C[C@@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1cccc(Cl)c1Cl ZINC000036635866 527020665 /nfs/dbraw/zinc/02/06/65/527020665.db2.gz HFZMVAHURUJMKB-GFCCVEGCSA-N 0 0 404.080 5.044 40 0 HKABRN O=C1C[C@@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(Cl)c1Cl ZINC000036635867 558800384 /nfs/dbraw/zinc/80/03/84/558800384.db2.gz XMIQHYAECWPSLL-GFCCVEGCSA-N 0 0 404.080 5.044 40 0 HKABRN O=C1C[C@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1ccc(Cl)cc1Cl ZINC000036635892 558800394 /nfs/dbraw/zinc/80/03/94/558800394.db2.gz YRQCTHRITNIKLV-LBPRGKRZSA-N 0 0 404.080 5.044 40 0 HKABRN O=C1C[C@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1Cl ZINC000036635893 558800347 /nfs/dbraw/zinc/80/03/47/558800347.db2.gz FURVABLBWBUSJX-ZDUSSCGKSA-N 0 0 404.080 5.044 40 0 HKABRN O=C1C[C@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1Cl ZINC000036635894 558800362 /nfs/dbraw/zinc/80/03/62/558800362.db2.gz URICGKLWTBXWCL-ZDUSSCGKSA-N 0 0 404.080 5.044 40 0 HKABRN O=C1C[C@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000036635909 558800445 /nfs/dbraw/zinc/80/04/45/558800445.db2.gz OWHHWLHAWPUUIE-ZDUSSCGKSA-N 0 0 404.080 5.044 40 0 HKABRN O=C1C[C@@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000036635910 558800554 /nfs/dbraw/zinc/80/05/54/558800554.db2.gz JWYVTDOMLJRTNT-CQSZACIVSA-N 0 0 404.080 5.044 40 0 HKABRN O=C1C[C@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000036635911 558800550 /nfs/dbraw/zinc/80/05/50/558800550.db2.gz PSQZNRDCVMLTNU-AWEZNQCLSA-N 0 0 404.080 5.044 40 0 HKABRN CCOC(=O)c1c(C)n(Cc2ccccc2)cc1Cc1cccc(C(F)(F)F)c1 ZINC000036635945 558800485 /nfs/dbraw/zinc/80/04/85/558800485.db2.gz ADDLTXIIFAKCDW-UHFFFAOYSA-N 0 0 401.428 5.631 40 0 HKABRN CCCCOc1ccc(NS(=O)(=O)c2ccc(OCCC)c3ccccc32)cc1 ZINC000036636288 558800543 /nfs/dbraw/zinc/80/05/43/558800543.db2.gz WTLONEFLGYFZKD-UHFFFAOYSA-N 0 0 413.539 5.608 40 0 HKABRN O=C(Nc1cc(Cl)ccc1OC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000036636319 558800497 /nfs/dbraw/zinc/80/04/97/558800497.db2.gz LEBGJKGSJCWMMV-UHFFFAOYSA-N 0 0 420.679 6.118 40 0 HKABRN O=C(CSc1ccc2ccccc2c1)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000036644281 557849406 /nfs/dbraw/zinc/84/94/06/557849406.db2.gz LQYLAGYONPGSSI-UHFFFAOYSA-N 0 0 412.942 5.061 40 0 HKABRN COc1ccc2[nH]c(SCc3ccc(C(=O)Nc4cccc(C)c4)cc3)nc2c1 ZINC000036646429 560882742 /nfs/dbraw/zinc/88/27/42/560882742.db2.gz MTBUJMUGRIQBNM-UHFFFAOYSA-N 0 0 403.507 5.425 40 0 HKABRN O=C(CCCSc1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000036717997 558801237 /nfs/dbraw/zinc/80/12/37/558801237.db2.gz LVXMJDYHXPRHJU-UHFFFAOYSA-N 0 0 409.982 6.441 40 0 HKABRN COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@H](c3ccc(F)c(F)c3)N1CC2 ZINC000036735067 558801360 /nfs/dbraw/zinc/80/13/60/558801360.db2.gz CPQKGOHIFYQAKA-ZEQRLZLVSA-N 0 0 408.448 5.054 40 0 HKABRN COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@@H](c3ccc(F)c(F)c3)N1CC2 ZINC000036735069 558801432 /nfs/dbraw/zinc/80/14/32/558801432.db2.gz CPQKGOHIFYQAKA-BJKOFHAPSA-N 0 0 408.448 5.054 40 0 HKABRN COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@H](c3cc(F)ccc3F)N1CC2 ZINC000036735071 558801385 /nfs/dbraw/zinc/80/13/85/558801385.db2.gz AZEUVOQCEXPIMD-ZEQRLZLVSA-N 0 0 408.448 5.054 40 0 HKABRN COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@@H](c3cc(F)ccc3F)N1CC2 ZINC000036735072 558801373 /nfs/dbraw/zinc/80/13/73/558801373.db2.gz AZEUVOQCEXPIMD-BJKOFHAPSA-N 0 0 408.448 5.054 40 0 HKABRN CN(C)c1nc2ccccc2cc1CN(Cc1cccnc1)Cc1ccccc1F ZINC000036740085 558801621 /nfs/dbraw/zinc/80/16/21/558801621.db2.gz GGGBFDAGONWHML-UHFFFAOYSA-N 0 0 400.501 5.037 40 0 HKABRN O=C(COc1ccc(Cl)cc1Br)Nc1ccccc1C(F)(F)F ZINC000036796263 558803121 /nfs/dbraw/zinc/80/31/21/558803121.db2.gz WFTJAWOSAJOKRW-UHFFFAOYSA-N 0 0 408.601 5.139 40 0 HKABRN CCOc1c(Br)cc(CNc2ccc(Br)cc2)cc1OC ZINC000036815668 557857896 /nfs/dbraw/zinc/85/78/96/557857896.db2.gz QARMFQWEGHRNEC-UHFFFAOYSA-N 0 0 415.125 5.231 40 0 HKABRN COc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1OC ZINC000036866277 558803460 /nfs/dbraw/zinc/80/34/60/558803460.db2.gz HOZNIMYFYFQFSI-UHFFFAOYSA-N 0 0 423.309 5.002 40 0 HKABRN COc1c(Br)cc(Br)cc1CNc1cc(Cl)ccc1C ZINC000037184661 558535241 /nfs/dbraw/zinc/53/52/41/558535241.db2.gz NXLKMUQSYYHZHC-UHFFFAOYSA-N 0 0 419.544 5.794 40 0 HKABRN COc1c(Br)cc(CNc2cc(Cl)ccc2C)cc1Br ZINC000037184693 558535368 /nfs/dbraw/zinc/53/53/68/558535368.db2.gz JQNYUJJDWQEWSV-UHFFFAOYSA-N 0 0 419.544 5.794 40 0 HKABRN COc1c(Br)cc(Br)cc1CNc1ccc(C)c(Cl)c1 ZINC000037188453 558535598 /nfs/dbraw/zinc/53/55/98/558535598.db2.gz WNXOLNYWYIXSKS-UHFFFAOYSA-N 0 0 419.544 5.794 40 0 HKABRN COc1c(Br)cc(CNc2ccc(C)c(Cl)c2)cc1Br ZINC000037188484 558535713 /nfs/dbraw/zinc/53/57/13/558535713.db2.gz HLNUPUFCYKAFCE-UHFFFAOYSA-N 0 0 419.544 5.794 40 0 HKABRN CCOc1ccc(NCc2cc(Br)c(OC)c(Br)c2)cc1 ZINC000037189324 558536075 /nfs/dbraw/zinc/53/60/75/558536075.db2.gz IFYFQQJJNLBZHA-UHFFFAOYSA-N 0 0 415.125 5.231 40 0 HKABRN COc1c(Br)cc(Br)cc1CNc1cccc(Cl)c1C ZINC000037196611 558540289 /nfs/dbraw/zinc/54/02/89/558540289.db2.gz DKCPAMLDCGMZHC-UHFFFAOYSA-N 0 0 419.544 5.794 40 0 HKABRN COc1c(Br)cc(CNc2cccc(Cl)c2C)cc1Br ZINC000037196643 558540328 /nfs/dbraw/zinc/54/03/28/558540328.db2.gz OHADEADOZQISCG-UHFFFAOYSA-N 0 0 419.544 5.794 40 0 HKABRN CCOc1c(Br)cc(CNc2ccc(C)c(C)c2)cc1Br ZINC000037202266 558541235 /nfs/dbraw/zinc/54/12/35/558541235.db2.gz KOEFNARNBFJVCU-UHFFFAOYSA-N 0 0 413.153 5.839 40 0 HKABRN CCOc1c(Br)cc(Br)cc1CNc1ccc(C)c(C)c1 ZINC000037202273 558541241 /nfs/dbraw/zinc/54/12/41/558541241.db2.gz WGITVKQIDDTNKI-UHFFFAOYSA-N 0 0 413.153 5.839 40 0 HKABRN COc1c(Br)cc(Br)cc1CNc1ccc(Cl)cc1 ZINC000037202791 558541481 /nfs/dbraw/zinc/54/14/81/558541481.db2.gz NZXJOPWBVIGUDD-UHFFFAOYSA-N 0 0 405.517 5.486 40 0 HKABRN CCOc1c(Br)cc(CNc2ccc(Cl)cc2)cc1Br ZINC000037202807 558541435 /nfs/dbraw/zinc/54/14/35/558541435.db2.gz ALKLNGSXFYUMHJ-UHFFFAOYSA-N 0 0 419.544 5.876 40 0 HKABRN CCOc1c(Br)cc(Br)cc1CNc1ccc(Cl)cc1 ZINC000037202813 558541502 /nfs/dbraw/zinc/54/15/02/558541502.db2.gz LQPHIAMBCLUJIO-UHFFFAOYSA-N 0 0 419.544 5.876 40 0 HKABRN COc1c(Br)cc(CNc2ccc(Cl)cc2)cc1Br ZINC000037202822 558541404 /nfs/dbraw/zinc/54/14/04/558541404.db2.gz BWSFOPKGKDTNKZ-UHFFFAOYSA-N 0 0 405.517 5.486 40 0 HKABRN CCOc1c(Br)cc(CNc2ccc(F)cc2)cc1Br ZINC000037210545 558545666 /nfs/dbraw/zinc/54/56/66/558545666.db2.gz KWQUMCWZMQXEIW-UHFFFAOYSA-N 0 0 403.089 5.362 40 0 HKABRN CCOc1c(Br)cc(Br)cc1CNc1ccc(F)cc1 ZINC000037210551 558545703 /nfs/dbraw/zinc/54/57/03/558545703.db2.gz NRNMJGSVRDEOKG-UHFFFAOYSA-N 0 0 403.089 5.362 40 0 HKABRN COc1c(Br)cc(Br)cc1CNc1ccccc1Cl ZINC000037210746 558545745 /nfs/dbraw/zinc/54/57/45/558545745.db2.gz RYHUNVMHBWLMJG-UHFFFAOYSA-N 0 0 405.517 5.486 40 0 HKABRN CCOc1c(Br)cc(CNc2ccccc2Cl)cc1Br ZINC000037210762 558545724 /nfs/dbraw/zinc/54/57/24/558545724.db2.gz GJJSUDRAZUOMMH-UHFFFAOYSA-N 0 0 419.544 5.876 40 0 HKABRN CCOc1c(Br)cc(Br)cc1CNc1ccccc1Cl ZINC000037210768 558545630 /nfs/dbraw/zinc/54/56/30/558545630.db2.gz CVLJHEJHUXZYHW-UHFFFAOYSA-N 0 0 419.544 5.876 40 0 HKABRN COc1c(Br)cc(CNc2ccccc2Cl)cc1Br ZINC000037210777 558545655 /nfs/dbraw/zinc/54/56/55/558545655.db2.gz GZGUMQLYHGMPMS-UHFFFAOYSA-N 0 0 405.517 5.486 40 0 HKABRN CCOc1c(Br)cc(CNc2ccc(CC)cc2)cc1Br ZINC000037212943 558559592 /nfs/dbraw/zinc/55/95/92/558559592.db2.gz ITWOBVOPGOQZBZ-UHFFFAOYSA-N 0 0 413.153 5.785 40 0 HKABRN CCOc1c(Br)cc(Br)cc1CNc1ccc(CC)cc1 ZINC000037212952 558559531 /nfs/dbraw/zinc/55/95/31/558559531.db2.gz FHRQAFIQHFQFRK-UHFFFAOYSA-N 0 0 413.153 5.785 40 0 HKABRN CCOc1c(Br)cc(CNc2ccccc2CC)cc1Br ZINC000037213350 558560763 /nfs/dbraw/zinc/56/07/63/558560763.db2.gz FDNLUWQYFCDZRW-UHFFFAOYSA-N 0 0 413.153 5.785 40 0 HKABRN CCOc1c(Br)cc(Br)cc1CNc1ccccc1CC ZINC000037213357 558560776 /nfs/dbraw/zinc/56/07/76/558560776.db2.gz GDVZLXHYKYYUFI-UHFFFAOYSA-N 0 0 413.153 5.785 40 0 HKABRN CCOc1c(Br)cc(CNc2cccc(C)c2C)cc1Br ZINC000037215612 558587195 /nfs/dbraw/zinc/58/71/95/558587195.db2.gz CISDWZNZDGJIPY-UHFFFAOYSA-N 0 0 413.153 5.839 40 0 HKABRN CCOc1c(Br)cc(Br)cc1CNc1cccc(C)c1C ZINC000037215619 558587118 /nfs/dbraw/zinc/58/71/18/558587118.db2.gz GMUQKVGJVDEFFD-UHFFFAOYSA-N 0 0 413.153 5.839 40 0 HKABRN CCOc1c(Br)cc(CNc2cc(C)ccc2C)cc1Br ZINC000037215982 558569075 /nfs/dbraw/zinc/56/90/75/558569075.db2.gz SBWNCFFFYWPDEF-UHFFFAOYSA-N 0 0 413.153 5.839 40 0 HKABRN CCOc1c(Br)cc(Br)cc1CNc1cc(C)ccc1C ZINC000037215989 558569114 /nfs/dbraw/zinc/56/91/14/558569114.db2.gz BSMFDLVWCKSZSV-UHFFFAOYSA-N 0 0 413.153 5.839 40 0 HKABRN CCOc1c(Br)cc(CNc2ccc(OC)cc2)cc1Br ZINC000037216161 558570379 /nfs/dbraw/zinc/57/03/79/558570379.db2.gz KVQRLCIPOCLKBK-UHFFFAOYSA-N 0 0 415.125 5.231 40 0 HKABRN CCOc1c(Br)cc(Br)cc1CNc1ccc(OC)cc1 ZINC000037216168 558570549 /nfs/dbraw/zinc/57/05/49/558570549.db2.gz MBDOPKBHMZZGOT-UHFFFAOYSA-N 0 0 415.125 5.231 40 0 HKABRN CCOc1c(Br)cc(CNc2ccc(C)cc2C)cc1Br ZINC000037509636 558853603 /nfs/dbraw/zinc/85/36/03/558853603.db2.gz HGOYCWWOEZYNBK-UHFFFAOYSA-N 0 0 413.153 5.839 40 0 HKABRN CCOc1c(Br)cc(Br)cc1CNc1ccc(C)cc1C ZINC000037509649 558853667 /nfs/dbraw/zinc/85/36/67/558853667.db2.gz IAEUJNQYJMNVQE-UHFFFAOYSA-N 0 0 413.153 5.839 40 0 HKABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000038139812 291296799 /nfs/dbraw/zinc/29/67/99/291296799.db2.gz WQLVFSAGQJTQCK-RFKRAQKKSA-N 0 0 414.630 5.714 40 0 biogenic,in-vitro HKABRN CC[C@H](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)C(C)C ZINC000038192021 291292952 /nfs/dbraw/zinc/29/29/52/291292952.db2.gz KZJWDPNRJALLNS-LWINXXIXSA-N 0 0 414.718 8.025 40 0 biogenic,in-vitro HKABRN C[C@@H]1C/C(=C\c2cccs2)C2=NN(C(=O)c3ccncc3)[C@@H](c3cccs3)[C@H]2C1 ZINC000038204110 568572902 /nfs/dbraw/zinc/57/29/02/568572902.db2.gz DBOVRNHDBFCWEW-ARHCPFILSA-N 0 0 419.575 5.887 40 0 HKABRN C[C@@H]1C/C(=C\c2cccs2)C2=NN(C(=O)c3ccncc3)[C@@H](c3cccs3)[C@@H]2C1 ZINC000038204112 568572977 /nfs/dbraw/zinc/57/29/77/568572977.db2.gz DBOVRNHDBFCWEW-KRXSSQFPSA-N 0 0 419.575 5.887 40 0 HKABRN CC[C@H](/C=C/[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)C(C)C ZINC000038253525 291292960 /nfs/dbraw/zinc/29/29/60/291292960.db2.gz HCXVJBMSMIARIN-BGDBIVFESA-N 0 0 412.702 7.801 40 0 biogenic,in-vitro HKABRN CC(C)(C)OC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1OC(F)(F)F ZINC000038262658 558811279 /nfs/dbraw/zinc/81/12/79/558811279.db2.gz WVQXIGOEZXEAJD-UHFFFAOYSA-N 0 0 415.795 5.817 40 0 HKABRN COC(=O)[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 ZINC000038334057 558645192 /nfs/dbraw/zinc/64/51/92/558645192.db2.gz NMYROXPSKHHTLY-KDNGKOOYSA-N 0 0 402.575 5.306 40 0 HKABRN CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CC)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000038427178 558811470 /nfs/dbraw/zinc/81/14/70/558811470.db2.gz FWAYUWSHYLKUEY-HDKIKNFVSA-N 0 0 404.591 5.673 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000038497450 291288073 /nfs/dbraw/zinc/28/80/73/291288073.db2.gz OYXZMSRRJOYLLO-JNYJZVOVSA-N 0 0 402.663 6.360 40 0 biogenic,in-vitro HKABRN CCc1ccc(OCc2nnc(SCc3ccc(Cl)cc3Cl)n2C)cc1 ZINC000038536867 558812713 /nfs/dbraw/zinc/81/27/13/558812713.db2.gz UYDBCQSVRCHKAE-UHFFFAOYSA-N 0 0 408.354 5.556 40 0 HKABRN Cc1cc(Br)cc(C)c1NC(=O)CSc1cccc2cccnc21 ZINC000038536874 558812695 /nfs/dbraw/zinc/81/26/95/558812695.db2.gz AYTWDHZKUAQZEE-UHFFFAOYSA-N 0 0 401.329 5.345 40 0 HKABRN C[C@H]1C[C@@]2(C)Oc3ccccc3[C@@H]3OC[C@]1(COC(=O)Nc1ccccc1)[C@@H](C)[C@H]32 ZINC000038549458 558655499 /nfs/dbraw/zinc/65/54/99/558655499.db2.gz UONFBIWUOHBYQS-YTRXFNQUSA-N 0 0 407.510 5.436 40 0 HKABRN C[C@H]1C[C@@]2(C)Oc3ccccc3[C@H]3OC[C@]1(COC(=O)Nc1ccccc1)[C@@H](C)[C@H]32 ZINC000038549461 558655488 /nfs/dbraw/zinc/65/54/88/558655488.db2.gz UONFBIWUOHBYQS-MLAWXWHNSA-N 0 0 407.510 5.436 40 0 HKABRN CC(C)n1cnc2c1nc(Cl)nc2Nc1ccc(Br)cc1Cl ZINC000038580014 569001970 /nfs/dbraw/zinc/00/19/70/569001970.db2.gz FSBJBIRZNJWWJE-UHFFFAOYSA-N 0 0 401.095 5.220 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000038726432 558813452 /nfs/dbraw/zinc/81/34/52/558813452.db2.gz QIHXSWPLWOYYST-WIQRBZPFSA-N 0 0 402.663 6.648 40 0 HKABRN CC(C)Oc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000038752190 558813621 /nfs/dbraw/zinc/81/36/21/558813621.db2.gz IOXGAVZYISBNKB-UHFFFAOYSA-N 0 0 407.535 5.897 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000038752465 558813639 /nfs/dbraw/zinc/81/36/39/558813639.db2.gz FVOBZGSXFGUVMB-QGZVFWFLSA-N 0 0 409.913 5.809 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000038752469 558813604 /nfs/dbraw/zinc/81/36/04/558813604.db2.gz FVOBZGSXFGUVMB-KRWDZBQOSA-N 0 0 409.913 5.809 40 0 HKABRN Cc1ccc([C@H](NC(=O)N2c3ccccc3Sc3ccccc32)c2ccccc2)cc1 ZINC000038752557 558813625 /nfs/dbraw/zinc/81/36/25/558813625.db2.gz ZPNWKMSVLTWUNA-AREMUKBSSA-N 0 0 422.553 7.097 40 0 HKABRN Cc1ccc([C@@H](NC(=O)N2c3ccccc3Sc3ccccc32)c2ccccc2)cc1 ZINC000038752561 558813583 /nfs/dbraw/zinc/81/35/83/558813583.db2.gz ZPNWKMSVLTWUNA-SANMLTNESA-N 0 0 422.553 7.097 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000038752742 558813724 /nfs/dbraw/zinc/81/37/24/558813724.db2.gz QCGIIURDTUHJLL-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)c(Cl)c1 ZINC000038752768 558813730 /nfs/dbraw/zinc/81/37/30/558813730.db2.gz WIBCPIPJKVLZBM-NRFANRHFSA-N 0 0 411.885 5.466 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)c(Cl)c1 ZINC000038752771 558813744 /nfs/dbraw/zinc/81/37/44/558813744.db2.gz WIBCPIPJKVLZBM-OAQYLSRUSA-N 0 0 411.885 5.466 40 0 HKABRN Cc1ccc(CS(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000038752907 558813731 /nfs/dbraw/zinc/81/37/31/558813731.db2.gz QNUGFAHEYKBAND-UHFFFAOYSA-N 0 0 421.562 5.465 40 0 HKABRN Cc1nccn1-c1ccccc1CNC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000038753274 558813907 /nfs/dbraw/zinc/81/39/07/558813907.db2.gz BIIXFCMBHBFRNC-UHFFFAOYSA-N 0 0 420.365 5.037 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)Cc3ccccc3)c2)cc1 ZINC000038753449 558813912 /nfs/dbraw/zinc/81/39/12/558813912.db2.gz SAHFBYFLSFBZHJ-UHFFFAOYSA-N 0 0 407.535 5.157 40 0 HKABRN Cc1nccn1-c1ccc(CNC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000038753563 558813998 /nfs/dbraw/zinc/81/39/98/558813998.db2.gz OOLBOTOKMDSMKJ-UHFFFAOYSA-N 0 0 413.546 5.403 40 0 HKABRN COc1ccc([C@H](CC(C)C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000038753706 558814015 /nfs/dbraw/zinc/81/40/15/558814015.db2.gz CCFUNSNZTDYTNJ-IBGZPJMESA-N 0 0 416.370 5.209 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000038753708 558814018 /nfs/dbraw/zinc/81/40/18/558814018.db2.gz CCFUNSNZTDYTNJ-LJQANCHMSA-N 0 0 416.370 5.209 40 0 HKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000038753857 558814042 /nfs/dbraw/zinc/81/40/42/558814042.db2.gz WSDCZNJRUYZVLO-VWLOTQADSA-N 0 0 419.590 6.700 40 0 HKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000038753859 558813990 /nfs/dbraw/zinc/81/39/90/558813990.db2.gz WSDCZNJRUYZVLO-RUZDIDTESA-N 0 0 419.590 6.700 40 0 HKABRN O=C(NCCCc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000038754207 558814137 /nfs/dbraw/zinc/81/41/37/558814137.db2.gz DGTSRUFPHSZZKL-UHFFFAOYSA-N 0 0 404.941 5.265 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C)c(Cl)c2)cc1 ZINC000038754335 558814183 /nfs/dbraw/zinc/81/41/83/558814183.db2.gz DKPZKRNNRWQOJN-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000038754403 558814148 /nfs/dbraw/zinc/81/41/48/558814148.db2.gz ZQKMHEPIBSHAKG-OALUTQOASA-N 0 0 416.521 5.146 40 0 HKABRN CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000038754405 558814140 /nfs/dbraw/zinc/81/41/40/558814140.db2.gz ZQKMHEPIBSHAKG-RBUKOAKNSA-N 0 0 416.521 5.146 40 0 HKABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000038754407 558814237 /nfs/dbraw/zinc/81/42/37/558814237.db2.gz ZQKMHEPIBSHAKG-MOPGFXCFSA-N 0 0 416.521 5.146 40 0 HKABRN CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000038754409 558814284 /nfs/dbraw/zinc/81/42/84/558814284.db2.gz ZQKMHEPIBSHAKG-RTBURBONSA-N 0 0 416.521 5.146 40 0 HKABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)c1 ZINC000038754726 558814316 /nfs/dbraw/zinc/81/43/16/558814316.db2.gz UFWPUYXZEWFILO-FQEVSTJZSA-N 0 0 405.563 6.310 40 0 HKABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)c1 ZINC000038754728 558814313 /nfs/dbraw/zinc/81/43/13/558814313.db2.gz UFWPUYXZEWFILO-HXUWFJFHSA-N 0 0 405.563 6.310 40 0 HKABRN Cc1ccc(SCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000038755061 558814450 /nfs/dbraw/zinc/81/44/50/558814450.db2.gz SHSXSZDSLOUYEC-UHFFFAOYSA-N 0 0 402.563 5.080 40 0 HKABRN COc1ccc(CCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000038755067 558814431 /nfs/dbraw/zinc/81/44/31/558814431.db2.gz SPBYLIZOOZXESN-UHFFFAOYSA-N 0 0 421.562 5.229 40 0 HKABRN O=C(c1ccc(CN2CCCc3ccccc32)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000038755143 558814448 /nfs/dbraw/zinc/81/44/48/558814448.db2.gz RYKKSGQXEHQOSP-UHFFFAOYSA-N 0 0 424.588 5.734 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000038755176 558814461 /nfs/dbraw/zinc/81/44/61/558814461.db2.gz HZHMJCPXTXEETE-FQEVSTJZSA-N 0 0 418.562 6.795 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000038755177 558814446 /nfs/dbraw/zinc/81/44/46/558814446.db2.gz HZHMJCPXTXEETE-HXUWFJFHSA-N 0 0 418.562 6.795 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000038755312 558814437 /nfs/dbraw/zinc/81/44/37/558814437.db2.gz JPTAIQZGOWVHMS-OAHLLOKOSA-N 0 0 404.348 5.311 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000038755314 558814442 /nfs/dbraw/zinc/81/44/42/558814442.db2.gz JPTAIQZGOWVHMS-HNNXBMFYSA-N 0 0 404.348 5.311 40 0 HKABRN O=C(NCCCc1ccc(F)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000038755365 558814455 /nfs/dbraw/zinc/81/44/55/558814455.db2.gz WCGHYYWZAZXPNE-UHFFFAOYSA-N 0 0 409.526 5.359 40 0 HKABRN Cc1ccc([C@H](NC(=O)COc2ccc(Br)cc2)c2ccccc2)cc1 ZINC000038755515 558814516 /nfs/dbraw/zinc/81/45/16/558814516.db2.gz PJHAANWFNVTHRY-JOCHJYFZSA-N 0 0 410.311 5.042 40 0 HKABRN Cc1ccc([C@@H](NC(=O)COc2ccc(Br)cc2)c2ccccc2)cc1 ZINC000038755517 558814537 /nfs/dbraw/zinc/81/45/37/558814537.db2.gz PJHAANWFNVTHRY-QFIPXVFZSA-N 0 0 410.311 5.042 40 0 HKABRN CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1Cl ZINC000038755752 558814512 /nfs/dbraw/zinc/81/45/12/558814512.db2.gz CXROOSNGFVAGQV-CYBMUJFWSA-N 0 0 410.297 5.193 40 0 HKABRN CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1Cl ZINC000038755753 558814590 /nfs/dbraw/zinc/81/45/90/558814590.db2.gz CXROOSNGFVAGQV-ZDUSSCGKSA-N 0 0 410.297 5.193 40 0 HKABRN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1SCc1ccccc1 ZINC000038755948 558814728 /nfs/dbraw/zinc/81/47/28/558814728.db2.gz NTTKFJSDTKSWBV-UHFFFAOYSA-N 0 0 402.519 5.358 40 0 HKABRN O=C(Nc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000038755970 558814708 /nfs/dbraw/zinc/81/47/08/558814708.db2.gz BQIDQMWPDYWMAZ-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)c(C)c1 ZINC000038756181 558814772 /nfs/dbraw/zinc/81/47/72/558814772.db2.gz IDAJCJFJTIZVIP-MRXNPFEDSA-N 0 0 418.375 5.620 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)c(C)c1 ZINC000038756183 558814799 /nfs/dbraw/zinc/81/47/99/558814799.db2.gz IDAJCJFJTIZVIP-INIZCTEOSA-N 0 0 418.375 5.620 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000038756451 558814769 /nfs/dbraw/zinc/81/47/69/558814769.db2.gz QIOJRRFARSJFBR-SANMLTNESA-N 0 0 411.501 6.215 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000038756453 558814796 /nfs/dbraw/zinc/81/47/96/558814796.db2.gz QIOJRRFARSJFBR-AREMUKBSSA-N 0 0 411.501 6.215 40 0 HKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000038756555 558814820 /nfs/dbraw/zinc/81/48/20/558814820.db2.gz DOLJSHFIKGGXPU-AWEZNQCLSA-N 0 0 403.103 5.552 40 0 HKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000038756557 558814823 /nfs/dbraw/zinc/81/48/23/558814823.db2.gz DOLJSHFIKGGXPU-CQSZACIVSA-N 0 0 403.103 5.552 40 0 HKABRN CC(C)Oc1ccc(CNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000038756765 558814942 /nfs/dbraw/zinc/81/49/42/558814942.db2.gz LIZZIFMAAQYKFX-UHFFFAOYSA-N 0 0 409.913 5.636 40 0 HKABRN CC(C)C[C@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccccc1 ZINC000038756903 558814951 /nfs/dbraw/zinc/81/49/51/558814951.db2.gz NXBWPWNTPKZNOG-YFORGORKSA-N 0 0 403.953 6.784 40 0 HKABRN CC(C)C[C@@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccccc1 ZINC000038756905 558814980 /nfs/dbraw/zinc/81/49/80/558814980.db2.gz NXBWPWNTPKZNOG-UWFGVWCKSA-N 0 0 403.953 6.784 40 0 HKABRN CCSc1ccccc1NC(=O)COc1ccc(Cl)cc1Br ZINC000038757003 558814982 /nfs/dbraw/zinc/81/49/82/558814982.db2.gz QCFVTCBDESFPLC-UHFFFAOYSA-N 0 0 400.725 5.232 40 0 HKABRN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000038771170 558815046 /nfs/dbraw/zinc/81/50/46/558815046.db2.gz WDXFNGKNFOWWII-FQEVSTJZSA-N 0 0 405.563 5.609 40 0 HKABRN C[C@H](CCc1ccccc1)NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000038771172 558815080 /nfs/dbraw/zinc/81/50/80/558815080.db2.gz WDXFNGKNFOWWII-HXUWFJFHSA-N 0 0 405.563 5.609 40 0 HKABRN CCOc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OCC ZINC000038771254 558815131 /nfs/dbraw/zinc/81/51/31/558815131.db2.gz ZVLCPMKNOMLTBJ-UHFFFAOYSA-N 0 0 415.839 5.728 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)sc2c1CCCC2 ZINC000038771477 558815095 /nfs/dbraw/zinc/81/50/95/558815095.db2.gz NUTAPOCPXHODQP-SFHVURJKSA-N 0 0 415.555 5.217 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)sc2c1CCCC2 ZINC000038771480 558815057 /nfs/dbraw/zinc/81/50/57/558815057.db2.gz NUTAPOCPXHODQP-GOSISDBHSA-N 0 0 415.555 5.217 40 0 HKABRN CC(C)C[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 ZINC000038771619 558815199 /nfs/dbraw/zinc/81/51/99/558815199.db2.gz OTOYJSNXMWWUHW-DEOSSOPVSA-N 0 0 407.941 6.436 40 0 HKABRN CC(C)C[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 ZINC000038771620 558815211 /nfs/dbraw/zinc/81/52/11/558815211.db2.gz OTOYJSNXMWWUHW-XMMPIXPASA-N 0 0 407.941 6.436 40 0 HKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000038771660 558815179 /nfs/dbraw/zinc/81/51/79/558815179.db2.gz KWRAGEZEUAKGFA-BTUURDQESA-N 0 0 417.593 6.567 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000038771663 558815254 /nfs/dbraw/zinc/81/52/54/558815254.db2.gz KWRAGEZEUAKGFA-AEYMSQMJSA-N 0 0 417.593 6.567 40 0 HKABRN O=C(NCCSCc1ccco1)c1ccc(OCCSc2ccccc2)cc1 ZINC000038771805 558815206 /nfs/dbraw/zinc/81/52/06/558815206.db2.gz YILHDBDZHQMTFJ-UHFFFAOYSA-N 0 0 413.564 5.114 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc(Br)c(C)c2)cc1 ZINC000038771831 558815250 /nfs/dbraw/zinc/81/52/50/558815250.db2.gz AQMOBLQMNMUETE-FQEVSTJZSA-N 0 0 420.347 5.049 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccc(Br)c(C)c2)cc1 ZINC000038771834 558815239 /nfs/dbraw/zinc/81/52/39/558815239.db2.gz AQMOBLQMNMUETE-HXUWFJFHSA-N 0 0 420.347 5.049 40 0 HKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000038772222 558815328 /nfs/dbraw/zinc/81/53/28/558815328.db2.gz HTUMTNFWKPLSQI-HNNXBMFYSA-N 0 0 403.103 5.552 40 0 HKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000038772225 558815393 /nfs/dbraw/zinc/81/53/93/558815393.db2.gz HTUMTNFWKPLSQI-OAHLLOKOSA-N 0 0 403.103 5.552 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000038772307 558815409 /nfs/dbraw/zinc/81/54/09/558815409.db2.gz KWWRIZIPGBVZBJ-NRFANRHFSA-N 0 0 402.991 5.176 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000038772309 558815336 /nfs/dbraw/zinc/81/53/36/558815336.db2.gz KWWRIZIPGBVZBJ-OAQYLSRUSA-N 0 0 402.991 5.176 40 0 HKABRN Cc1ccccc1[C@H](NC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 ZINC000038772603 558815438 /nfs/dbraw/zinc/81/54/38/558815438.db2.gz RELZMWWHDZVULE-AREMUKBSSA-N 0 0 422.553 7.097 40 0 HKABRN Cc1ccccc1[C@@H](NC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 ZINC000038772605 558815487 /nfs/dbraw/zinc/81/54/87/558815487.db2.gz RELZMWWHDZVULE-SANMLTNESA-N 0 0 422.553 7.097 40 0 HKABRN CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2cccc3ccccc32)ccc1Cl ZINC000038772807 558815494 /nfs/dbraw/zinc/81/54/94/558815494.db2.gz LJYYACYVRGTIGC-FQEVSTJZSA-N 0 0 411.885 5.466 40 0 HKABRN CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2cccc3ccccc32)ccc1Cl ZINC000038772809 558815461 /nfs/dbraw/zinc/81/54/61/558815461.db2.gz LJYYACYVRGTIGC-HXUWFJFHSA-N 0 0 411.885 5.466 40 0 HKABRN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038833699 558817239 /nfs/dbraw/zinc/81/72/39/558817239.db2.gz LWYAGDZJIOJRPB-GOSISDBHSA-N 0 0 405.369 5.968 40 0 HKABRN CC(C)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038833700 558817219 /nfs/dbraw/zinc/81/72/19/558817219.db2.gz LWYAGDZJIOJRPB-SFHVURJKSA-N 0 0 405.369 5.968 40 0 HKABRN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038833703 558817230 /nfs/dbraw/zinc/81/72/30/558817230.db2.gz YIHGSEHBOSFOJO-QGZVFWFLSA-N 0 0 405.369 5.968 40 0 HKABRN CC(C)c1ccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038833704 558817209 /nfs/dbraw/zinc/81/72/09/558817209.db2.gz YIHGSEHBOSFOJO-KRWDZBQOSA-N 0 0 405.369 5.968 40 0 HKABRN CC(C)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000038833715 558817203 /nfs/dbraw/zinc/81/72/03/558817203.db2.gz HGBVSFVLTSSUTI-UHFFFAOYSA-N 0 0 405.369 5.968 40 0 HKABRN CC(C)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000038833716 558817263 /nfs/dbraw/zinc/81/72/63/558817263.db2.gz BLUPOQSSEDUAGQ-UHFFFAOYSA-N 0 0 405.369 5.968 40 0 HKABRN CC(C)c1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000038833717 558817275 /nfs/dbraw/zinc/81/72/75/558817275.db2.gz PGDQQUVQGBYLFY-UHFFFAOYSA-N 0 0 405.369 5.968 40 0 HKABRN CC(C)c1ccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000038833719 558817258 /nfs/dbraw/zinc/81/72/58/558817258.db2.gz GLHINZBFWJINBA-UHFFFAOYSA-N 0 0 415.375 5.423 40 0 HKABRN O=C(Nc1cccc2ccccc21)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038834073 558817355 /nfs/dbraw/zinc/81/73/55/558817355.db2.gz BHWUVHWTOLSMEM-UHFFFAOYSA-N 0 0 413.348 5.997 40 0 HKABRN O=C(Nc1cccc2ccccc21)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038834074 558817459 /nfs/dbraw/zinc/81/74/59/558817459.db2.gz IBCGAHJDDGNHCT-UHFFFAOYSA-N 0 0 413.348 5.997 40 0 HKABRN O=C(Nc1cccc2ccccc21)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038834075 558817351 /nfs/dbraw/zinc/81/73/51/558817351.db2.gz HGPAWYMOMNEGHP-UHFFFAOYSA-N 0 0 413.348 5.997 40 0 HKABRN O=C(Nc1cccc2ccccc21)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038834077 558817381 /nfs/dbraw/zinc/81/73/81/558817381.db2.gz GPQAKWFBADOQNF-UHFFFAOYSA-N 0 0 423.354 5.453 40 0 HKABRN CCOc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038834284 558817464 /nfs/dbraw/zinc/81/74/64/558817464.db2.gz XCXDDUQZBKDZQD-MRXNPFEDSA-N 0 0 407.341 5.243 40 0 HKABRN CCOc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038834285 558817389 /nfs/dbraw/zinc/81/73/89/558817389.db2.gz XCXDDUQZBKDZQD-INIZCTEOSA-N 0 0 407.341 5.243 40 0 HKABRN CCOc1ccccc1NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038834288 558817424 /nfs/dbraw/zinc/81/74/24/558817424.db2.gz DOJGFQUHBHXWDR-OAHLLOKOSA-N 0 0 407.341 5.243 40 0 HKABRN CCOc1ccccc1NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038834289 558817405 /nfs/dbraw/zinc/81/74/05/558817405.db2.gz DOJGFQUHBHXWDR-HNNXBMFYSA-N 0 0 407.341 5.243 40 0 HKABRN CCOc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038834300 558817436 /nfs/dbraw/zinc/81/74/36/558817436.db2.gz BVCKCEVOOQFWPA-UHFFFAOYSA-N 0 0 407.341 5.243 40 0 HKABRN CCOc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038834301 558817444 /nfs/dbraw/zinc/81/74/44/558817444.db2.gz YFYHZSBZYVFUND-UHFFFAOYSA-N 0 0 407.341 5.243 40 0 HKABRN CCOc1ccccc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038834302 558817431 /nfs/dbraw/zinc/81/74/31/558817431.db2.gz XKDNQLPGXCUTCG-UHFFFAOYSA-N 0 0 407.341 5.243 40 0 HKABRN CCOc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038834340 558817400 /nfs/dbraw/zinc/81/74/00/558817400.db2.gz XJTNQZVXYHRWJE-MRXNPFEDSA-N 0 0 407.341 5.243 40 0 HKABRN CCOc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038834341 558817677 /nfs/dbraw/zinc/81/76/77/558817677.db2.gz XJTNQZVXYHRWJE-INIZCTEOSA-N 0 0 407.341 5.243 40 0 HKABRN CCOc1ccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038834344 558817671 /nfs/dbraw/zinc/81/76/71/558817671.db2.gz OFCFEDVNPXKODA-OAHLLOKOSA-N 0 0 407.341 5.243 40 0 HKABRN CCOc1ccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038834345 558817656 /nfs/dbraw/zinc/81/76/56/558817656.db2.gz OFCFEDVNPXKODA-HNNXBMFYSA-N 0 0 407.341 5.243 40 0 HKABRN CCOc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000038834356 558817556 /nfs/dbraw/zinc/81/75/56/558817556.db2.gz RQBGWZRSGUTCAH-UHFFFAOYSA-N 0 0 407.341 5.243 40 0 HKABRN CCOc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000038834357 558817610 /nfs/dbraw/zinc/81/76/10/558817610.db2.gz QYGRWQBQFZMBMF-UHFFFAOYSA-N 0 0 407.341 5.243 40 0 HKABRN CCOc1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000038834358 558817662 /nfs/dbraw/zinc/81/76/62/558817662.db2.gz KNYBAZAKGHRXOW-UHFFFAOYSA-N 0 0 407.341 5.243 40 0 HKABRN O=C(NCCSc1ccccc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038836546 558817949 /nfs/dbraw/zinc/81/79/49/558817949.db2.gz JRJWGQWFIOOWPN-UHFFFAOYSA-N 0 0 423.409 5.114 40 0 HKABRN O=C(NCCSc1ccccc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038836549 558818173 /nfs/dbraw/zinc/81/81/73/558818173.db2.gz VVWVPXUCDSRTIA-UHFFFAOYSA-N 0 0 423.409 5.114 40 0 HKABRN O=C(NCCSc1ccccc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038836552 558818144 /nfs/dbraw/zinc/81/81/44/558818144.db2.gz YKIHPNWLCCPZOW-UHFFFAOYSA-N 0 0 423.409 5.114 40 0 HKABRN O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038848606 558818343 /nfs/dbraw/zinc/81/83/43/558818343.db2.gz AVVVJQUAQPXDRR-UHFFFAOYSA-N 0 0 411.760 5.175 40 0 HKABRN O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038848607 558818372 /nfs/dbraw/zinc/81/83/72/558818372.db2.gz DYLLLTLDKMCVCM-UHFFFAOYSA-N 0 0 411.760 5.175 40 0 HKABRN O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038848608 558818281 /nfs/dbraw/zinc/81/82/81/558818281.db2.gz MQMPCLFIPPPPTB-UHFFFAOYSA-N 0 0 411.760 5.175 40 0 HKABRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038849440 558818495 /nfs/dbraw/zinc/81/84/95/558818495.db2.gz UYMLDHWVRZHGQF-MRXNPFEDSA-N 0 0 407.341 5.161 40 0 HKABRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038849441 558818507 /nfs/dbraw/zinc/81/85/07/558818507.db2.gz UYMLDHWVRZHGQF-INIZCTEOSA-N 0 0 407.341 5.161 40 0 HKABRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038849444 558818443 /nfs/dbraw/zinc/81/84/43/558818443.db2.gz NVHNIDNEZPJPIZ-OAHLLOKOSA-N 0 0 407.341 5.161 40 0 HKABRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038849445 558818480 /nfs/dbraw/zinc/81/84/80/558818480.db2.gz NVHNIDNEZPJPIZ-HNNXBMFYSA-N 0 0 407.341 5.161 40 0 HKABRN COc1ccc(C)cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038849456 558818501 /nfs/dbraw/zinc/81/85/01/558818501.db2.gz JGAXQKUSZBVCBZ-UHFFFAOYSA-N 0 0 407.341 5.161 40 0 HKABRN COc1ccc(C)cc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038849457 558818463 /nfs/dbraw/zinc/81/84/63/558818463.db2.gz WHGJPRZJFZGYTH-UHFFFAOYSA-N 0 0 407.341 5.161 40 0 HKABRN COc1ccc(C)cc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038849458 558818473 /nfs/dbraw/zinc/81/84/73/558818473.db2.gz WGGZGTBIHSZSLL-UHFFFAOYSA-N 0 0 407.341 5.161 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038849500 558818483 /nfs/dbraw/zinc/81/84/83/558818483.db2.gz SOFVMBKFQJJCMT-OAHLLOKOSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038849501 558818424 /nfs/dbraw/zinc/81/84/24/558818424.db2.gz SOFVMBKFQJJCMT-HNNXBMFYSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038849504 558818498 /nfs/dbraw/zinc/81/84/98/558818498.db2.gz WWMLZYUOWYTXPH-CQSZACIVSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038849505 558818475 /nfs/dbraw/zinc/81/84/75/558818475.db2.gz WWMLZYUOWYTXPH-AWEZNQCLSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038849516 558818455 /nfs/dbraw/zinc/81/84/55/558818455.db2.gz DLYBNFBXSXMVDE-UHFFFAOYSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038849517 558818478 /nfs/dbraw/zinc/81/84/78/558818478.db2.gz GMJWKEIVKBTFPE-UHFFFAOYSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038849518 558818460 /nfs/dbraw/zinc/81/84/60/558818460.db2.gz QBDSPQCWQBBKAA-UHFFFAOYSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038849520 558818415 /nfs/dbraw/zinc/81/84/15/558818415.db2.gz SODGIAMUGNWQCA-UHFFFAOYSA-N 0 0 421.766 5.262 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038849555 558818437 /nfs/dbraw/zinc/81/84/37/558818437.db2.gz SNYOLBATJNGAGP-OAHLLOKOSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038849556 558818449 /nfs/dbraw/zinc/81/84/49/558818449.db2.gz SNYOLBATJNGAGP-HNNXBMFYSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038849559 558818492 /nfs/dbraw/zinc/81/84/92/558818492.db2.gz KGMSJVSJBFFUBZ-CQSZACIVSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038849560 558818470 /nfs/dbraw/zinc/81/84/70/558818470.db2.gz KGMSJVSJBFFUBZ-AWEZNQCLSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038849571 558818468 /nfs/dbraw/zinc/81/84/68/558818468.db2.gz WVHIKNZVQKTAKO-UHFFFAOYSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038849572 558818637 /nfs/dbraw/zinc/81/86/37/558818637.db2.gz MACCAYIAHPJTEP-UHFFFAOYSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038849573 558818650 /nfs/dbraw/zinc/81/86/50/558818650.db2.gz JFWNEILVUSAAQD-UHFFFAOYSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038849575 558818706 /nfs/dbraw/zinc/81/87/06/558818706.db2.gz ZKOYFBIPLUBRJC-UHFFFAOYSA-N 0 0 421.766 5.262 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038849613 558818686 /nfs/dbraw/zinc/81/86/86/558818686.db2.gz GXRWVSSYQIQLMK-OAHLLOKOSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038849614 558818659 /nfs/dbraw/zinc/81/86/59/558818659.db2.gz GXRWVSSYQIQLMK-HNNXBMFYSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038849617 558818671 /nfs/dbraw/zinc/81/86/71/558818671.db2.gz XPJWLLLFSXWMFA-CQSZACIVSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038849618 558818711 /nfs/dbraw/zinc/81/87/11/558818711.db2.gz XPJWLLLFSXWMFA-AWEZNQCLSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038849629 558818597 /nfs/dbraw/zinc/81/85/97/558818597.db2.gz UTOYLJMPEWFPPA-UHFFFAOYSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038849630 558818738 /nfs/dbraw/zinc/81/87/38/558818738.db2.gz FUVBADKJJNSYQZ-UHFFFAOYSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038849631 558818602 /nfs/dbraw/zinc/81/86/02/558818602.db2.gz MNJXYWOITPJUIR-UHFFFAOYSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038849633 558818677 /nfs/dbraw/zinc/81/86/77/558818677.db2.gz GYGKOCXDBCIZAK-UHFFFAOYSA-N 0 0 421.766 5.262 40 0 HKABRN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1Cl ZINC000038849666 558818693 /nfs/dbraw/zinc/81/86/93/558818693.db2.gz CPMYEZRLEDNFBR-OAHLLOKOSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1Cl ZINC000038849667 558818627 /nfs/dbraw/zinc/81/86/27/558818627.db2.gz CPMYEZRLEDNFBR-HNNXBMFYSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1Cl ZINC000038849670 558818644 /nfs/dbraw/zinc/81/86/44/558818644.db2.gz XCTUMYBZOCTSDB-CQSZACIVSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1Cl ZINC000038849671 558818723 /nfs/dbraw/zinc/81/87/23/558818723.db2.gz XCTUMYBZOCTSDB-AWEZNQCLSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1Cl ZINC000038849682 558818731 /nfs/dbraw/zinc/81/87/31/558818731.db2.gz RUDOCEUMAMXNNN-UHFFFAOYSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1Cl ZINC000038849683 558818640 /nfs/dbraw/zinc/81/86/40/558818640.db2.gz QQXUUIGMNDOIEB-UHFFFAOYSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1Cl ZINC000038849684 558818622 /nfs/dbraw/zinc/81/86/22/558818622.db2.gz WUEPLYSUDLNQOJ-UHFFFAOYSA-N 0 0 411.760 5.806 40 0 HKABRN Cc1ccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1Cl ZINC000038849686 558818632 /nfs/dbraw/zinc/81/86/32/558818632.db2.gz PHOZUUKAJBJNQH-UHFFFAOYSA-N 0 0 421.766 5.262 40 0 HKABRN Cc1nccn1Cc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000038851474 558818751 /nfs/dbraw/zinc/81/87/51/558818751.db2.gz APBDLCWBTHVWFM-UHFFFAOYSA-N 0 0 413.546 5.784 40 0 HKABRN CSc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000038852543 558819049 /nfs/dbraw/zinc/81/90/49/558819049.db2.gz DFRGSVSDPMGDOV-UHFFFAOYSA-N 0 0 409.382 5.566 40 0 HKABRN CSc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000038852545 558819065 /nfs/dbraw/zinc/81/90/65/558819065.db2.gz GQRWZINNVUTWIT-UHFFFAOYSA-N 0 0 409.382 5.566 40 0 HKABRN CSc1cccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000038852547 558819056 /nfs/dbraw/zinc/81/90/56/558819056.db2.gz MSPFYITVXWULIN-UHFFFAOYSA-N 0 0 409.382 5.566 40 0 HKABRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038853464 558819067 /nfs/dbraw/zinc/81/90/67/558819067.db2.gz WNRXIISFRLIWJD-UHFFFAOYSA-N 0 0 415.723 5.637 40 0 HKABRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038853466 558819071 /nfs/dbraw/zinc/81/90/71/558819071.db2.gz HVMNUPQYFYRFSS-UHFFFAOYSA-N 0 0 415.723 5.637 40 0 HKABRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038853468 558819075 /nfs/dbraw/zinc/81/90/75/558819075.db2.gz INPSPBOLRMRFCM-UHFFFAOYSA-N 0 0 415.723 5.637 40 0 HKABRN Cc1cc(C)c(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(C)c1 ZINC000038856100 558819278 /nfs/dbraw/zinc/81/92/78/558819278.db2.gz KIXDMWQAXDAURN-UHFFFAOYSA-N 0 0 405.369 5.769 40 0 HKABRN Cc1cc(C)c(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1 ZINC000038856102 558819212 /nfs/dbraw/zinc/81/92/12/558819212.db2.gz UZTGZVJCBOLFMT-UHFFFAOYSA-N 0 0 405.369 5.769 40 0 HKABRN Cc1cc(C)c(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c(C)c1 ZINC000038856104 558819250 /nfs/dbraw/zinc/81/92/50/558819250.db2.gz ZECRHRMMXJLDBT-UHFFFAOYSA-N 0 0 405.369 5.769 40 0 HKABRN Cc1cc(C)c(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c(C)c1 ZINC000038856109 558819223 /nfs/dbraw/zinc/81/92/23/558819223.db2.gz PUJCKLOGSBSUIT-UHFFFAOYSA-N 0 0 415.375 5.225 40 0 HKABRN CCc1cccc(CC)c1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038856222 558819380 /nfs/dbraw/zinc/81/93/80/558819380.db2.gz OOBVPJNPPKXOED-UHFFFAOYSA-N 0 0 419.396 5.969 40 0 HKABRN CCc1cccc(CC)c1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038856224 558819436 /nfs/dbraw/zinc/81/94/36/558819436.db2.gz SQPUCLOSKARYBX-UHFFFAOYSA-N 0 0 419.396 5.969 40 0 HKABRN CCc1cccc(CC)c1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038856226 558819441 /nfs/dbraw/zinc/81/94/41/558819441.db2.gz PIPISDBBZCMKDC-UHFFFAOYSA-N 0 0 419.396 5.969 40 0 HKABRN CC(C)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038856721 558819385 /nfs/dbraw/zinc/81/93/85/558819385.db2.gz AYCGYJFCQABDAK-UHFFFAOYSA-N 0 0 405.369 5.968 40 0 HKABRN CC(C)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038856723 558819359 /nfs/dbraw/zinc/81/93/59/558819359.db2.gz MGCUHGCLTWMPRE-UHFFFAOYSA-N 0 0 405.369 5.968 40 0 HKABRN CC(C)c1ccccc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038856725 558819353 /nfs/dbraw/zinc/81/93/53/558819353.db2.gz IBVPHPABGNJHJQ-UHFFFAOYSA-N 0 0 405.369 5.968 40 0 HKABRN CC(C)c1ccccc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038856729 558819372 /nfs/dbraw/zinc/81/93/72/558819372.db2.gz YALNPBRLAIXRHO-UHFFFAOYSA-N 0 0 415.375 5.423 40 0 HKABRN CCc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038856945 558819431 /nfs/dbraw/zinc/81/94/31/558819431.db2.gz HUDZXLMBVASHPT-UHFFFAOYSA-N 0 0 405.369 5.715 40 0 HKABRN CCc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038856947 558819347 /nfs/dbraw/zinc/81/93/47/558819347.db2.gz PNGHVEYRKZKSCK-UHFFFAOYSA-N 0 0 405.369 5.715 40 0 HKABRN CCc1cccc(C)c1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038856949 558819350 /nfs/dbraw/zinc/81/93/50/558819350.db2.gz CLWNXSOSVJIKMD-UHFFFAOYSA-N 0 0 405.369 5.715 40 0 HKABRN CCc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038856953 558819400 /nfs/dbraw/zinc/81/94/00/558819400.db2.gz CKIBYLRTTSPPSM-UHFFFAOYSA-N 0 0 415.375 5.171 40 0 HKABRN CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038858309 558819622 /nfs/dbraw/zinc/81/96/22/558819622.db2.gz UMQKJQYYRUGFPO-QGZVFWFLSA-N 0 0 405.325 5.047 40 0 HKABRN CC(=O)c1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038858312 558819633 /nfs/dbraw/zinc/81/96/33/558819633.db2.gz UMQKJQYYRUGFPO-KRWDZBQOSA-N 0 0 405.325 5.047 40 0 HKABRN CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038858321 558819556 /nfs/dbraw/zinc/81/95/56/558819556.db2.gz BNFPFURNGKOZQU-MRXNPFEDSA-N 0 0 405.325 5.047 40 0 HKABRN CC(=O)c1cccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038858324 558819626 /nfs/dbraw/zinc/81/96/26/558819626.db2.gz BNFPFURNGKOZQU-INIZCTEOSA-N 0 0 405.325 5.047 40 0 HKABRN CC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000038858356 558819617 /nfs/dbraw/zinc/81/96/17/558819617.db2.gz FCZCJIOSZNFIIT-UHFFFAOYSA-N 0 0 405.325 5.047 40 0 HKABRN CC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000038858359 558819636 /nfs/dbraw/zinc/81/96/36/558819636.db2.gz LVBRSCJJDHTOCH-UHFFFAOYSA-N 0 0 405.325 5.047 40 0 HKABRN CC(=O)c1cccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000038858362 558819528 /nfs/dbraw/zinc/81/95/28/558819528.db2.gz JJQJNUSCAOHFCE-UHFFFAOYSA-N 0 0 405.325 5.047 40 0 HKABRN Cc1cccc(C(C)C)c1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038859933 558819629 /nfs/dbraw/zinc/81/96/29/558819629.db2.gz FOLGHTQGDJMASQ-UHFFFAOYSA-N 0 0 419.396 6.276 40 0 HKABRN Cc1cccc(C(C)C)c1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038859937 558819575 /nfs/dbraw/zinc/81/95/75/558819575.db2.gz RDJAAJUJZIRORB-UHFFFAOYSA-N 0 0 419.396 6.276 40 0 HKABRN Cc1cccc(C(C)C)c1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038859941 558819538 /nfs/dbraw/zinc/81/95/38/558819538.db2.gz FMMJQICFWBCMGT-UHFFFAOYSA-N 0 0 419.396 6.276 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(Cn2ccnc2)cc1 ZINC000038860862 558819591 /nfs/dbraw/zinc/81/95/91/558819591.db2.gz VAISUHYHNZHCBQ-UHFFFAOYSA-N 0 0 403.869 5.629 40 0 HKABRN Cc1nccn1Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000038860865 558819631 /nfs/dbraw/zinc/81/96/31/558819631.db2.gz FSNVJRGUWIAQNS-UHFFFAOYSA-N 0 0 417.896 5.938 40 0 HKABRN Cc1ccccc1NC(=O)CCCCCCCCCCC(=O)Nc1ccccc1C ZINC000038990701 558669097 /nfs/dbraw/zinc/66/90/97/558669097.db2.gz YIJLUUUCMJVUMV-UHFFFAOYSA-N 0 0 408.586 6.782 40 0 HKABRN CC1=C(CC[C@@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000039033456 558819768 /nfs/dbraw/zinc/81/97/68/558819768.db2.gz KIDQUNOGEXTBNB-WIMXQSBWSA-N 0 0 414.630 5.618 40 0 HKABRN CC(C)(C)OC(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)OCc1ccccc1 ZINC000039106580 569283092 /nfs/dbraw/zinc/28/30/92/569283092.db2.gz KLALCPYPHLVAEB-QFIPXVFZSA-N 0 0 405.494 5.019 40 0 HKABRN CCOc1ccc([C@@H](COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1 ZINC000039163349 558819918 /nfs/dbraw/zinc/81/99/18/558819918.db2.gz ZLAFALWCDWDCIC-HSZRJFAPSA-N 0 0 416.439 6.740 40 0 HKABRN CCOc1ccc([C@H](COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1 ZINC000039163350 569351814 /nfs/dbraw/zinc/35/18/14/569351814.db2.gz ZLAFALWCDWDCIC-QHCPKHFHSA-N 0 0 416.439 6.740 40 0 HKABRN Clc1ccccc1COc1ccc(Br)cc1-c1nc2ccccc2[nH]1 ZINC000039206023 568589634 /nfs/dbraw/zinc/58/96/34/568589634.db2.gz BURGVVXOWFIOIY-UHFFFAOYSA-N 0 0 413.702 6.225 40 0 HKABRN CC(C)CCC[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 ZINC000039239182 558820039 /nfs/dbraw/zinc/82/00/39/558820039.db2.gz YEYCQJVCAMFWCO-BTGNDISDSA-N 0 0 414.674 7.569 40 0 HKABRN COc1ccc(/C=C2\C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 ZINC000039243042 569351836 /nfs/dbraw/zinc/35/18/36/569351836.db2.gz MDGYGSZQYJUTBN-UTRRVEPZSA-N 0 0 408.582 5.373 40 0 HKABRN CCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(OCc2ccccc2)c1 ZINC000039286447 568592328 /nfs/dbraw/zinc/59/23/28/568592328.db2.gz XLRWCRGAMYGBSU-UKILVPOCSA-N 0 0 408.626 7.532 40 0 in-vitro HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000039348694 558684189 /nfs/dbraw/zinc/68/41/89/558684189.db2.gz CZDKQKOAHAICSF-REKCHVTFSA-N 0 0 402.663 6.360 40 0 HKABRN OC1(c2ccccc2)c2cc(Br)ccc2-c2ccc(Br)cc21 ZINC000039351859 558820285 /nfs/dbraw/zinc/82/02/85/558820285.db2.gz VGZUBRZNTWOSTO-UHFFFAOYSA-N 0 0 416.112 5.476 40 0 HKABRN CCOc1ccc(N(Cc2cccnc2)c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000039359689 558820423 /nfs/dbraw/zinc/82/04/23/558820423.db2.gz VQPWYDAYEIDSCP-UHFFFAOYSA-N 0 0 401.535 6.251 40 0 HKABRN CCc1ccc(C(=O)C[C@@H](C(C)C)[C@@H](C=C(C)C)C(=O)c2ccc(CC)cc2)cc1 ZINC000039379241 558684146 /nfs/dbraw/zinc/68/41/46/558684146.db2.gz AVPTTZVZGLVZKB-IZZNHLLZSA-N 0 0 404.594 7.122 40 0 HKABRN CCc1ccc(C(=O)C[C@H](C(C)C)[C@@H](C=C(C)C)C(=O)c2ccc(CC)cc2)cc1 ZINC000039379242 558684184 /nfs/dbraw/zinc/68/41/84/558684184.db2.gz AVPTTZVZGLVZKB-CLJLJLNGSA-N 0 0 404.594 7.122 40 0 HKABRN CCc1ccc(C(=O)C[C@@H](C(C)C)[C@H](C=C(C)C)C(=O)c2ccc(CC)cc2)cc1 ZINC000039379243 558684192 /nfs/dbraw/zinc/68/41/92/558684192.db2.gz AVPTTZVZGLVZKB-UIOOFZCWSA-N 0 0 404.594 7.122 40 0 HKABRN CCc1ccc(C(=O)C[C@H](C(C)C)[C@H](C=C(C)C)C(=O)c2ccc(CC)cc2)cc1 ZINC000039379244 558684180 /nfs/dbraw/zinc/68/41/80/558684180.db2.gz AVPTTZVZGLVZKB-FTJBHMTQSA-N 0 0 404.594 7.122 40 0 HKABRN CSc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3CC(C)(C)CC(=O)[C@@H]23)cc1 ZINC000039380652 558684089 /nfs/dbraw/zinc/68/40/89/558684089.db2.gz GONTXJAEPHIUGB-YNJKOYDBSA-N 0 0 401.575 6.817 40 0 HKABRN CSc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3CC(C)(C)CC(=O)[C@H]32)cc1 ZINC000039380653 558684167 /nfs/dbraw/zinc/68/41/67/558684167.db2.gz GONTXJAEPHIUGB-OPXMRZJTSA-N 0 0 401.575 6.817 40 0 HKABRN O=C1N/C(=C\c2cn(Cc3cccc(F)c3)c3ccccc23)C(=O)N1C1CCCCC1 ZINC000039556218 558684803 /nfs/dbraw/zinc/68/48/03/558684803.db2.gz MMKSPXVCNNOFBY-HMAPJEAMSA-N 0 0 417.484 5.054 40 0 HKABRN Cc1ccc(N2C(=O)/C(=C/c3cn(CC(C)C)c4ccccc34)N(C)C2=S)cc1C ZINC000039556432 569351891 /nfs/dbraw/zinc/35/18/91/569351891.db2.gz KGESZBOEUXZABF-QRVIBDJDSA-N 0 0 417.578 5.519 40 0 HKABRN Cc1ccc(N2C(=O)C(=Cc3cn(CC(C)C)c4ccccc34)NC2=S)cc1C ZINC000039556635 569351869 /nfs/dbraw/zinc/35/18/69/569351869.db2.gz SMHFKUMVUPCDNW-MTJSOVHGSA-N 0 0 403.551 5.176 40 0 HKABRN O=C(Nc1nnc(SCc2ccc(Cl)c(Cl)c2)s1)c1cccc(F)c1 ZINC000039723799 558822564 /nfs/dbraw/zinc/82/25/64/558822564.db2.gz CSEJOWSIPZKIKK-UHFFFAOYSA-N 0 0 414.314 5.529 40 0 HKABRN O=C(Nc1nnc(SCc2ccc(Cl)cc2Cl)s1)c1cccc(F)c1 ZINC000039723800 558822539 /nfs/dbraw/zinc/82/25/39/558822539.db2.gz NOBMWUHBDWNAIO-UHFFFAOYSA-N 0 0 414.314 5.529 40 0 HKABRN COc1ccc(Cl)cc1C(=O)Nc1nnc(SCc2ccccc2C)s1 ZINC000039723888 558822551 /nfs/dbraw/zinc/82/25/51/558822551.db2.gz OUZJJKHIBGQRBE-UHFFFAOYSA-N 0 0 405.932 5.053 40 0 HKABRN O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(-c2ccccc2)cc1 ZINC000039723984 558822574 /nfs/dbraw/zinc/82/25/74/558822574.db2.gz MDEDNDHJTPNSMJ-UHFFFAOYSA-N 0 0 403.532 5.750 40 0 HKABRN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000039724051 558822543 /nfs/dbraw/zinc/82/25/43/558822543.db2.gz JRYRHOCMZPDNSQ-JTQLQIEISA-N 0 0 410.351 5.631 40 0 HKABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000039724052 558822576 /nfs/dbraw/zinc/82/25/76/558822576.db2.gz JRYRHOCMZPDNSQ-SNVBAGLBSA-N 0 0 410.351 5.631 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000039724095 558822565 /nfs/dbraw/zinc/82/25/65/558822565.db2.gz AZNCYVNGINBABY-HNNXBMFYSA-N 0 0 424.378 6.021 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000039724096 558822587 /nfs/dbraw/zinc/82/25/87/558822587.db2.gz AZNCYVNGINBABY-OAHLLOKOSA-N 0 0 424.378 6.021 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000039724131 558822544 /nfs/dbraw/zinc/82/25/44/558822544.db2.gz SUOCOLISQVGSJX-INIZCTEOSA-N 0 0 419.959 5.377 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000039724132 558822554 /nfs/dbraw/zinc/82/25/54/558822554.db2.gz SUOCOLISQVGSJX-MRXNPFEDSA-N 0 0 419.959 5.377 40 0 HKABRN Cc1cccc(C(C)C)c1NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039747735 558686895 /nfs/dbraw/zinc/68/68/95/558686895.db2.gz ZANGUUIOYPHTCL-UHFFFAOYSA-N 0 0 402.941 5.762 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039752554 558687033 /nfs/dbraw/zinc/68/70/33/558687033.db2.gz SFVFASLBFSKEGD-UHFFFAOYSA-N 0 0 415.723 5.637 40 0 HKABRN CC(C)c1ccc(CCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039755629 558687530 /nfs/dbraw/zinc/68/75/30/558687530.db2.gz AYSMMPNEODOTNA-UHFFFAOYSA-N 0 0 416.968 5.173 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039759888 558685273 /nfs/dbraw/zinc/68/52/73/558685273.db2.gz JWSPRHAKSPNEIE-UHFFFAOYSA-N 0 0 404.913 5.117 40 0 HKABRN O=C(NCCCc1ccc(Cl)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039760908 558685324 /nfs/dbraw/zinc/68/53/24/558685324.db2.gz QFQLCZMTKZEUMP-UHFFFAOYSA-N 0 0 423.359 5.094 40 0 HKABRN Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000039761495 558685529 /nfs/dbraw/zinc/68/55/29/558685529.db2.gz XASITJHQGIBGHL-UHFFFAOYSA-N 0 0 414.490 5.018 40 0 HKABRN Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)s2)s1 ZINC000039761707 558685547 /nfs/dbraw/zinc/68/55/47/558685547.db2.gz DISNIBYIVCWXHF-UHFFFAOYSA-N 0 0 420.519 5.080 40 0 HKABRN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039761784 558685599 /nfs/dbraw/zinc/68/55/99/558685599.db2.gz QOSAFHXUUYKEGH-UHFFFAOYSA-N 0 0 414.830 5.349 40 0 HKABRN CC(C)Oc1cccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000039762638 558685530 /nfs/dbraw/zinc/68/55/30/558685530.db2.gz OYHKYUNRVHSREB-UHFFFAOYSA-N 0 0 404.913 5.117 40 0 HKABRN O=C(Nc1ccccc1C(F)(F)F)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039762916 558685854 /nfs/dbraw/zinc/68/58/54/558685854.db2.gz IUVJGQZOMZWDGI-UHFFFAOYSA-N 0 0 414.830 5.349 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039766397 558685887 /nfs/dbraw/zinc/68/58/87/558685887.db2.gz NWIVWBXCIKSJCW-UHFFFAOYSA-N 0 0 415.723 5.637 40 0 HKABRN Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccccc4)s3)c2)cc1 ZINC000039766836 558686200 /nfs/dbraw/zinc/68/62/00/558686200.db2.gz ZDNARLCTNVNOSA-UHFFFAOYSA-N 0 0 414.490 5.018 40 0 HKABRN Cc1cccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)c1 ZINC000039768565 558686296 /nfs/dbraw/zinc/68/62/96/558686296.db2.gz YSCQKYFNGDDNLB-UHFFFAOYSA-N 0 0 414.490 5.018 40 0 HKABRN O=C(Nc1ccccc1-c1ccccc1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039773369 558686670 /nfs/dbraw/zinc/68/66/70/558686670.db2.gz NRDAEKMDXLCQAP-UHFFFAOYSA-N 0 0 422.931 5.997 40 0 HKABRN O=C1S/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1c1ccccc1 ZINC000039795144 558686506 /nfs/dbraw/zinc/68/65/06/558686506.db2.gz HQJLBNZOAWECFB-WQRHYEAKSA-N 0 0 416.285 6.494 40 0 HKABRN O=C1S/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1c1ccccc1 ZINC000039795170 558686660 /nfs/dbraw/zinc/68/66/60/558686660.db2.gz HBPVDYCEWSUZIV-PDGQHHTCSA-N 0 0 415.392 6.206 40 0 HKABRN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000039858271 558822738 /nfs/dbraw/zinc/82/27/38/558822738.db2.gz MIUALAHUCPJCDO-HNNXBMFYSA-N 0 0 412.283 5.647 40 0 HKABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000039858272 558822728 /nfs/dbraw/zinc/82/27/28/558822728.db2.gz MIUALAHUCPJCDO-OAHLLOKOSA-N 0 0 412.283 5.647 40 0 HKABRN O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000039860596 558686496 /nfs/dbraw/zinc/68/64/96/558686496.db2.gz VUQOSZTWCHSARW-WOJGMQOQSA-N 0 0 416.285 6.494 40 0 HKABRN O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000039860672 558686618 /nfs/dbraw/zinc/68/66/18/558686618.db2.gz RFKBBEVXYMSZGJ-WOJGMQOQSA-N 0 0 416.285 6.494 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000039918220 558686519 /nfs/dbraw/zinc/68/65/19/558686519.db2.gz WLXYIEGXWVWUPL-SNVBAGLBSA-N 0 0 417.214 5.004 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000039918221 558686643 /nfs/dbraw/zinc/68/66/43/558686643.db2.gz WLXYIEGXWVWUPL-JTQLQIEISA-N 0 0 417.214 5.004 40 0 HKABRN CC1(C)CC[C@@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 ZINC000039942004 558691213 /nfs/dbraw/zinc/69/12/13/558691213.db2.gz LIIFBMGUDSHTOU-YAFUZKDASA-N 0 0 424.713 8.377 40 0 HKABRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 ZINC000039942005 558692690 /nfs/dbraw/zinc/69/26/90/558692690.db2.gz LIIFBMGUDSHTOU-YZUYMEKQSA-N 0 0 424.713 8.377 40 0 HKABRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000039942113 569358180 /nfs/dbraw/zinc/35/81/80/569358180.db2.gz LNGLEOIUQBVRRY-HHZICVRHSA-N 0 0 400.647 6.856 40 0 HKABRN CC(C)(C)OC(=O)N1CCC(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000039953926 560821648 /nfs/dbraw/zinc/82/16/48/560821648.db2.gz UGGKZILVVBZOJN-UHFFFAOYSA-N 0 0 413.358 5.503 40 0 HKABRN Clc1ccc(-c2cn3cc(-c4ccc(Cl)c(Cl)c4)n4c3c2CCCC4)cc1 ZINC000040163762 526933060 /nfs/dbraw/zinc/93/30/60/526933060.db2.gz GLBCFOXHOFFEQK-UHFFFAOYSA-N 0 0 415.751 7.371 40 0 HKABRN Cc1ccc(Nc2nc3c(cnn3-c3ccccc3)c(Nc3ccc(C)cc3)n2)cc1 ZINC000040227598 525330677 /nfs/dbraw/zinc/33/06/77/525330677.db2.gz DYVGAZOBKNHXGJ-UHFFFAOYSA-N 0 0 406.493 5.920 40 0 HKABRN Cc1c(C(=O)Nc2ccccc2)nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn21 ZINC000040385016 525661187 /nfs/dbraw/zinc/66/11/87/525661187.db2.gz HAMWXYUEJGKRTB-UHFFFAOYSA-N 0 0 405.889 5.129 40 0 HKABRN Cc1ccccc1NC(=O)c1nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn2c1C ZINC000040385020 525267058 /nfs/dbraw/zinc/26/70/58/525267058.db2.gz HMUUFNSUVHBLSZ-UHFFFAOYSA-N 0 0 419.916 5.437 40 0 HKABRN Cc1c(C(=O)Nc2ccc(F)cc2)nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn21 ZINC000040385029 525656054 /nfs/dbraw/zinc/65/60/54/525656054.db2.gz VLMXKIUTYBYNQS-UHFFFAOYSA-N 0 0 423.879 5.268 40 0 HKABRN Cc1ccc(NC(=O)c2nnc3c(-c4cccc(Cl)c4)c(C(C)C)nn3c2C)cc1 ZINC000040385060 525264102 /nfs/dbraw/zinc/26/41/02/525264102.db2.gz RBDZOTQLGXNNIO-UHFFFAOYSA-N 0 0 419.916 5.437 40 0 HKABRN Cc1cccc(NC(=O)c2nnc3c(-c4cccc(Cl)c4)c(C(C)C)nn3c2C)c1 ZINC000040385084 524665428 /nfs/dbraw/zinc/66/54/28/524665428.db2.gz PWWOKHWRXCCPNN-UHFFFAOYSA-N 0 0 419.916 5.437 40 0 HKABRN Cc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(-c3ccc(C)cc3)n2)cc1 ZINC000040385355 525326515 /nfs/dbraw/zinc/32/65/15/525326515.db2.gz VMGWYQCQGNMTES-UHFFFAOYSA-N 0 0 401.901 6.296 40 0 HKABRN Cc1cc(C)nc(Nc2nc(-c3ccc(Br)cc3)cn2-c2ccccc2)c1 ZINC000040385420 524594741 /nfs/dbraw/zinc/59/47/41/524594741.db2.gz PHHSRQYLAXNHOO-UHFFFAOYSA-N 0 0 419.326 6.057 40 0 HKABRN Cc1cc(C)nc(Nc2nc(-c3ccc4ccccc4c3)cn2-c2ccc(Cl)cc2)c1 ZINC000040385426 524594532 /nfs/dbraw/zinc/59/45/32/524594532.db2.gz ZRWDBSACFFHLSI-UHFFFAOYSA-N 0 0 424.935 7.101 40 0 HKABRN COc1ccc(Nc2nc(-c3ccccc3)c3c(n2)/C(=C/c2ccccc2)CCC3)cc1 ZINC000040385494 524714886 /nfs/dbraw/zinc/71/48/86/524714886.db2.gz YIYMORSALHRVES-ZBJSNUHESA-N 0 0 419.528 6.773 40 0 HKABRN CCc1nn2c(ncc3c2ccn([C@@H]2CCC[C@H](C)[C@@H]2C)c3=O)c1-c1ccccc1 ZINC000040387865 522712033 /nfs/dbraw/zinc/71/20/33/522712033.db2.gz HARLZKCNLRHXDY-XGHQBKJUSA-N 0 0 400.526 5.271 40 0 HKABRN CCc1nn2c(ncc3c2ccn([C@H]2CCC[C@H](C)[C@@H]2C)c3=O)c1-c1ccccc1 ZINC000040387866 522712324 /nfs/dbraw/zinc/71/23/24/522712324.db2.gz HARLZKCNLRHXDY-FIKGOQFSSA-N 0 0 400.526 5.271 40 0 HKABRN CCc1nn2c(ncc3c2ccn([C@@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccccc1 ZINC000040387868 522712121 /nfs/dbraw/zinc/71/21/21/522712121.db2.gz HARLZKCNLRHXDY-LLGFUMIMSA-N 0 0 400.526 5.271 40 0 HKABRN CCc1nn2c(ncc3c2ccn([C@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccccc1 ZINC000040387870 522712191 /nfs/dbraw/zinc/71/21/91/522712191.db2.gz HARLZKCNLRHXDY-WWMYMODYSA-N 0 0 400.526 5.271 40 0 HKABRN CC(C)c1ccc(C=Cc2ccnc3nc(N4c5ccccc5C[C@H]4C)[nH]c(=O)c23)cc1 ZINC000040388429 519834334 /nfs/dbraw/zinc/83/43/34/519834334.db2.gz RDYJDQBHBOVSAI-LVMGUKCRSA-N 0 0 422.532 5.695 40 0 HKABRN CC(C)c1ccc(C=Cc2ccnc3nc(N4c5ccccc5C[C@@H]4C)[nH]c(=O)c23)cc1 ZINC000040388431 519834299 /nfs/dbraw/zinc/83/42/99/519834299.db2.gz RDYJDQBHBOVSAI-HGZMWJMZSA-N 0 0 422.532 5.695 40 0 HKABRN C[C@@H]1Cc2ccccc2N1c1nc2nccc(C=Cc3ccc(Cl)cc3)c2c(=O)[nH]1 ZINC000040388437 525536146 /nfs/dbraw/zinc/53/61/46/525536146.db2.gz RUJNPTCLCFWTIK-RZIFZGNASA-N 0 0 414.896 5.225 40 0 HKABRN C[C@H]1Cc2ccccc2N1c1nc2nccc(C=Cc3ccc(Cl)cc3)c2c(=O)[nH]1 ZINC000040388439 524994733 /nfs/dbraw/zinc/99/47/33/524994733.db2.gz RUJNPTCLCFWTIK-PPYMECGQSA-N 0 0 414.896 5.225 40 0 HKABRN C[C@@H]1Cc2ccccc2N1c1nc2nccc(C=C/C=C/c3ccccc3)c2c(=O)[nH]1 ZINC000040388449 525536648 /nfs/dbraw/zinc/53/66/48/525536648.db2.gz ZFARHPYRMFNCFT-YZEDCREBSA-N 0 0 406.489 5.127 40 0 HKABRN C[C@H]1Cc2ccccc2N1c1nc2nccc(C=C/C=C/c3ccccc3)c2c(=O)[nH]1 ZINC000040388451 524993871 /nfs/dbraw/zinc/99/38/71/524993871.db2.gz ZFARHPYRMFNCFT-JSKZHRNKSA-N 0 0 406.489 5.127 40 0 HKABRN C[C@@H]1Cc2ccccc2N1c1nc2nccc(C=Cc3cccc(Cl)c3)c2c(=O)[nH]1 ZINC000040388461 525536517 /nfs/dbraw/zinc/53/65/17/525536517.db2.gz VVSICOHGXJXNRM-BOLDSZDNSA-N 0 0 414.896 5.225 40 0 HKABRN C[C@H]1Cc2ccccc2N1c1nc2nccc(C=Cc3cccc(Cl)c3)c2c(=O)[nH]1 ZINC000040388463 524995693 /nfs/dbraw/zinc/99/56/93/524995693.db2.gz VVSICOHGXJXNRM-FEAKQIBJSA-N 0 0 414.896 5.225 40 0 HKABRN CC(C)c1ccc(C=Cc2ccnc3nc(N4CCc5ccccc5C4)[nH]c(=O)c23)cc1 ZINC000040388522 519834346 /nfs/dbraw/zinc/83/43/46/519834346.db2.gz ZMWCWFMCYYIRBW-FMIVXFBMSA-N 0 0 422.532 5.175 40 0 HKABRN CC(C)c1ccc(C=Cc2ccnc3nc(N4CCc5ccccc54)[nH]c(=O)c23)cc1 ZINC000040388573 519834330 /nfs/dbraw/zinc/83/43/30/519834330.db2.gz ADCLAMCWRXTRNL-FMIVXFBMSA-N 0 0 408.505 5.306 40 0 HKABRN CCc1nn2c(nnc3c2ccn([C@@H]2CCCC[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395903 522716650 /nfs/dbraw/zinc/71/66/50/522716650.db2.gz YGLDQCYLBABFEF-KBXCAEBGSA-N 0 0 421.932 5.073 40 0 HKABRN CCc1nn2c(nnc3c2ccn([C@H]2CCCC[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395904 522716204 /nfs/dbraw/zinc/71/62/04/522716204.db2.gz YGLDQCYLBABFEF-KSSFIOAISA-N 0 0 421.932 5.073 40 0 HKABRN CCc1nn2c(nnc3c2ccn([C@@H]2CCCC[C@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395905 522716263 /nfs/dbraw/zinc/71/62/63/522716263.db2.gz YGLDQCYLBABFEF-RDTXWAMCSA-N 0 0 421.932 5.073 40 0 HKABRN CCc1nn2c(nnc3c2ccn([C@H]2CCCC[C@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395906 522716350 /nfs/dbraw/zinc/71/63/50/522716350.db2.gz YGLDQCYLBABFEF-KDOFPFPSSA-N 0 0 421.932 5.073 40 0 HKABRN CCc1nn2c(nnc3c2ccn(C2CCCCCC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395911 522713824 /nfs/dbraw/zinc/71/38/24/522713824.db2.gz PLUXHKCDVFBZKY-UHFFFAOYSA-N 0 0 421.932 5.217 40 0 HKABRN Cc1nn2c(nnc3c2ccn([C@@H]2CCC[C@H](C)[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395990 526314817 /nfs/dbraw/zinc/31/48/17/526314817.db2.gz JDADACFPPUPSLB-SUNYJGFJSA-N 0 0 421.932 5.065 40 0 HKABRN Cc1nn2c(nnc3c2ccn([C@H]2CCC[C@H](C)[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395991 526315223 /nfs/dbraw/zinc/31/52/23/526315223.db2.gz JDADACFPPUPSLB-DEYYWGMASA-N 0 0 421.932 5.065 40 0 HKABRN Cc1nn2c(nnc3c2ccn([C@@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395992 526315026 /nfs/dbraw/zinc/31/50/26/526315026.db2.gz JDADACFPPUPSLB-QWQRMKEZSA-N 0 0 421.932 5.065 40 0 HKABRN Cc1nn2c(nnc3c2ccn([C@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395993 526315424 /nfs/dbraw/zinc/31/54/24/526315424.db2.gz JDADACFPPUPSLB-GLJUWKHASA-N 0 0 421.932 5.065 40 0 HKABRN CCc1nn2c(ncc3c2ccn(CCC2=CCCCC2)c3=O)c1-c1ccc(F)cc1 ZINC000040396748 522711002 /nfs/dbraw/zinc/71/10/02/522711002.db2.gz QWKPJOFAUCDCER-UHFFFAOYSA-N 0 0 416.500 5.303 40 0 HKABRN CCc1nn2c(ncc3c2ccn([C@@H]2CCCC[C@@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000040396756 522712426 /nfs/dbraw/zinc/71/24/26/522712426.db2.gz DKRIOYMDFQIBNG-MGPUTAFESA-N 0 0 404.489 5.164 40 0 HKABRN CCc1nn2c(ncc3c2ccn([C@H]2CCCC[C@@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000040396758 522712316 /nfs/dbraw/zinc/71/23/16/522712316.db2.gz DKRIOYMDFQIBNG-YWZLYKJASA-N 0 0 404.489 5.164 40 0 HKABRN CCc1nn2c(ncc3c2ccn([C@@H]2CCCC[C@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000040396760 522712238 /nfs/dbraw/zinc/71/22/38/522712238.db2.gz DKRIOYMDFQIBNG-FOIQADDNSA-N 0 0 404.489 5.164 40 0 HKABRN CCc1nn2c(ncc3c2ccn([C@H]2CCCC[C@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000040396762 522710983 /nfs/dbraw/zinc/71/09/83/522710983.db2.gz DKRIOYMDFQIBNG-QRWLVFNGSA-N 0 0 404.489 5.164 40 0 HKABRN CCc1nn2c(ncc3c2ccn([C@@H]2CCC[C@H](C)[C@@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000040396764 522712369 /nfs/dbraw/zinc/71/23/69/522712369.db2.gz RAMFASYYRUIAST-CKJXQJPGSA-N 0 0 418.516 5.410 40 0 HKABRN CCc1nn2c(ncc3c2ccn([C@H]2CCC[C@H](C)[C@@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000040396766 522712397 /nfs/dbraw/zinc/71/23/97/522712397.db2.gz RAMFASYYRUIAST-QYWGDWMGSA-N 0 0 418.516 5.410 40 0 HKABRN CCc1nn2c(ncc3c2ccn([C@@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000040396768 522711133 /nfs/dbraw/zinc/71/11/33/522711133.db2.gz RAMFASYYRUIAST-VWKPWSFCSA-N 0 0 418.516 5.410 40 0 HKABRN CCc1nn2c(ncc3c2ccn([C@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000040396770 522710858 /nfs/dbraw/zinc/71/08/58/522710858.db2.gz RAMFASYYRUIAST-XFQAVAEZSA-N 0 0 418.516 5.410 40 0 HKABRN CCc1nn2c(ncc3c2ccn(C2CCCCCC2)c3=O)c1-c1ccc(F)cc1 ZINC000040396772 522711468 /nfs/dbraw/zinc/71/14/68/522711468.db2.gz LUESQZFBCJROSB-UHFFFAOYSA-N 0 0 404.489 5.308 40 0 HKABRN Cc1nn2c(ncc3c2ccn(CCC2=CCCCC2)c3=O)c1-c1ccc(F)cc1 ZINC000040396926 526314122 /nfs/dbraw/zinc/31/41/22/526314122.db2.gz PJEFUNKKDROVIU-UHFFFAOYSA-N 0 0 402.473 5.049 40 0 HKABRN Cc1nn2c(ncc3c2ccn([C@@H]2CCC[C@H](C)[C@@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000040396942 526313805 /nfs/dbraw/zinc/31/38/05/526313805.db2.gz GJQKMVLZFMXSTE-AUSJPIAWSA-N 0 0 404.489 5.156 40 0 HKABRN Cc1nn2c(ncc3c2ccn([C@H]2CCC[C@H](C)[C@@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000040396944 526313997 /nfs/dbraw/zinc/31/39/97/526313997.db2.gz GJQKMVLZFMXSTE-AVYPCKFXSA-N 0 0 404.489 5.156 40 0 HKABRN Cc1nn2c(ncc3c2ccn([C@@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000040396946 526313801 /nfs/dbraw/zinc/31/38/01/526313801.db2.gz GJQKMVLZFMXSTE-QEEYODRMSA-N 0 0 404.489 5.156 40 0 HKABRN Cc1nn2c(ncc3c2ccn([C@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000040396948 526313446 /nfs/dbraw/zinc/31/34/46/526313446.db2.gz GJQKMVLZFMXSTE-SIFCLUCFSA-N 0 0 404.489 5.156 40 0 HKABRN O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1Cc1ccc(Cl)cc1 ZINC000040397254 527470811 /nfs/dbraw/zinc/47/08/11/527470811.db2.gz OHUDWJMNPIXSNW-UHFFFAOYSA-N 0 0 421.287 5.066 40 0 HKABRN O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1Cc1ccccc1Cl ZINC000040397256 527469727 /nfs/dbraw/zinc/46/97/27/527469727.db2.gz LNTADISOVNFGPE-UHFFFAOYSA-N 0 0 421.287 5.066 40 0 HKABRN O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCC1=CCCCC1 ZINC000040397271 527470048 /nfs/dbraw/zinc/47/00/48/527470048.db2.gz PWEJNQCPVRYKBV-UHFFFAOYSA-N 0 0 404.901 5.255 40 0 HKABRN C[C@@H]1CCC[C@H](n2ccc3c(cnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)[C@@H]1C ZINC000040397287 524413817 /nfs/dbraw/zinc/41/38/17/524413817.db2.gz PCXLVNOTVFFPJE-SXGZJXTBSA-N 0 0 406.917 5.362 40 0 HKABRN C[C@@H]1[C@@H](C)CCC[C@@H]1n1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O ZINC000040397289 525647311 /nfs/dbraw/zinc/64/73/11/525647311.db2.gz PCXLVNOTVFFPJE-MDOVXXIYSA-N 0 0 406.917 5.362 40 0 HKABRN C[C@@H]1CCC[C@@H](n2ccc3c(cnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)[C@@H]1C ZINC000040397291 524319857 /nfs/dbraw/zinc/31/98/57/524319857.db2.gz PCXLVNOTVFFPJE-STXHMFSFSA-N 0 0 406.917 5.362 40 0 HKABRN C[C@H]1[C@H](n2ccc3c(cnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)CCC[C@@H]1C ZINC000040397293 525116304 /nfs/dbraw/zinc/11/63/04/525116304.db2.gz PCXLVNOTVFFPJE-BXTJHSDWSA-N 0 0 406.917 5.362 40 0 HKABRN CCc1nn2c(ncc3c2ccn(C2CCCCC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397451 522712144 /nfs/dbraw/zinc/71/21/44/522712144.db2.gz JROBDKAAAJMVOB-UHFFFAOYSA-N 0 0 406.917 5.432 40 0 HKABRN CCc1nn2c(ncc3c2ccn([C@@H]2CCCC[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397453 522710790 /nfs/dbraw/zinc/71/07/90/522710790.db2.gz PLRBERMZJFQLQR-MGPUTAFESA-N 0 0 420.944 5.678 40 0 HKABRN CCc1nn2c(ncc3c2ccn([C@H]2CCCC[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397455 522711663 /nfs/dbraw/zinc/71/16/63/522711663.db2.gz PLRBERMZJFQLQR-YWZLYKJASA-N 0 0 420.944 5.678 40 0 HKABRN CCc1nn2c(ncc3c2ccn([C@@H]2CCCC[C@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397457 522711962 /nfs/dbraw/zinc/71/19/62/522711962.db2.gz PLRBERMZJFQLQR-FOIQADDNSA-N 0 0 420.944 5.678 40 0 HKABRN CCc1nn2c(ncc3c2ccn([C@H]2CCCC[C@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397459 522712517 /nfs/dbraw/zinc/71/25/17/522712517.db2.gz PLRBERMZJFQLQR-QRWLVFNGSA-N 0 0 420.944 5.678 40 0 HKABRN CCc1nn2c(ncc3c2ccn(C2CCCCCC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397469 522711516 /nfs/dbraw/zinc/71/15/16/522711516.db2.gz DBBZSRABKGRXIM-UHFFFAOYSA-N 0 0 420.944 5.822 40 0 HKABRN Cc1nn2c(ncc3c2ccn(Cc2ccc(C)cc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397591 526313645 /nfs/dbraw/zinc/31/36/45/526313645.db2.gz ABNBVPCHJJGTQD-UHFFFAOYSA-N 0 0 414.896 5.030 40 0 HKABRN Cc1nn2c(ncc3c2ccn(CCC2=CCCCC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397611 526312946 /nfs/dbraw/zinc/31/29/46/526312946.db2.gz FTUUYTICDZMJQQ-UHFFFAOYSA-N 0 0 418.928 5.564 40 0 HKABRN Cc1nn2c(ncc3c2ccn([C@@H]2CCCC[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397619 526313510 /nfs/dbraw/zinc/31/35/10/526313510.db2.gz MGXJNNLKEXNCTM-IFXJQAMLSA-N 0 0 406.917 5.424 40 0 HKABRN Cc1nn2c(ncc3c2ccn([C@H]2CCCC[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397621 526313699 /nfs/dbraw/zinc/31/36/99/526313699.db2.gz MGXJNNLKEXNCTM-LIRRHRJNSA-N 0 0 406.917 5.424 40 0 HKABRN Cc1nn2c(ncc3c2ccn([C@@H]2CCCC[C@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397623 526313799 /nfs/dbraw/zinc/31/37/99/526313799.db2.gz MGXJNNLKEXNCTM-AUUYWEPGSA-N 0 0 406.917 5.424 40 0 HKABRN Cc1nn2c(ncc3c2ccn([C@H]2CCCC[C@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397625 526313487 /nfs/dbraw/zinc/31/34/87/526313487.db2.gz MGXJNNLKEXNCTM-KUHUBIRLSA-N 0 0 406.917 5.424 40 0 HKABRN Cc1nn2c(ncc3c2ccn([C@@H]2CCC[C@H](C)[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397627 526313926 /nfs/dbraw/zinc/31/39/26/526313926.db2.gz FMEXSMHYIDVGJE-AUSJPIAWSA-N 0 0 420.944 5.670 40 0 HKABRN Cc1nn2c(ncc3c2ccn([C@H]2CCC[C@H](C)[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397629 526313858 /nfs/dbraw/zinc/31/38/58/526313858.db2.gz FMEXSMHYIDVGJE-AVYPCKFXSA-N 0 0 420.944 5.670 40 0 HKABRN Cc1nn2c(ncc3c2ccn([C@@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397631 526314329 /nfs/dbraw/zinc/31/43/29/526314329.db2.gz FMEXSMHYIDVGJE-QEEYODRMSA-N 0 0 420.944 5.670 40 0 HKABRN Cc1nn2c(ncc3c2ccn([C@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397633 526313465 /nfs/dbraw/zinc/31/34/65/526313465.db2.gz FMEXSMHYIDVGJE-SIFCLUCFSA-N 0 0 420.944 5.670 40 0 HKABRN Cc1nn2c(ncc3c2ccn(C2CCCCCC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397635 526313077 /nfs/dbraw/zinc/31/30/77/526313077.db2.gz MRJLSFBJNOQEIP-UHFFFAOYSA-N 0 0 406.917 5.568 40 0 HKABRN Cc1c(C(=O)c2ccccc2)c(N)c(-c2ccccc2)n1Cc1ccc(Cl)cc1 ZINC000040421037 568639963 /nfs/dbraw/zinc/63/99/63/568639963.db2.gz KGXYGMKEFDUWNB-UHFFFAOYSA-N 0 0 400.909 5.978 40 0 in-vitro HKABRN Cc1cc2nc(-c3ccc(I)cc3)oc2c(Br)c1 ZINC000040542311 525668586 /nfs/dbraw/zinc/66/85/86/525668586.db2.gz DYJVXLUJSSSBKW-UHFFFAOYSA-N 0 0 414.040 5.170 40 0 HKABRN Cc1cc2nc(-c3cccc(I)c3)oc2c(Br)c1 ZINC000040542313 525668895 /nfs/dbraw/zinc/66/88/95/525668895.db2.gz UVLMCTAZGHGOHV-UHFFFAOYSA-N 0 0 414.040 5.170 40 0 HKABRN Cc1cc2nc(-c3cc(Br)ccc3Cl)oc2c(Br)c1 ZINC000040542319 525666030 /nfs/dbraw/zinc/66/60/30/525666030.db2.gz FBWYUDWICRRYJZ-UHFFFAOYSA-N 0 0 401.485 5.982 40 0 HKABRN Cc1nn(-c2ccccc2)c2c1[C@@]1(C=C(C)O2)Nc2cc(C)cc(Br)c2O1 ZINC000040545475 527554256 /nfs/dbraw/zinc/55/42/56/527554256.db2.gz OWWSHYWKTAJFGY-NRFANRHFSA-N 0 0 424.298 5.205 40 0 HKABRN Cc1nn(-c2ccccc2)c2c1[C@]1(C=C(C)O2)Nc2cc(C)cc(Br)c2O1 ZINC000040545477 527553403 /nfs/dbraw/zinc/55/34/03/527553403.db2.gz OWWSHYWKTAJFGY-OAQYLSRUSA-N 0 0 424.298 5.205 40 0 HKABRN Cc1nn(-c2ccccc2)c2c1[C@@]1(C=C(C)O2)Nc2cc(-c3ccccc3)ccc2O1 ZINC000040546424 527553669 /nfs/dbraw/zinc/55/36/69/527553669.db2.gz YMXRKHLKGKAYIN-SANMLTNESA-N 0 0 407.473 5.801 40 0 HKABRN Cc1nn(-c2ccccc2)c2c1[C@]1(C=C(C)O2)Nc2cc(-c3ccccc3)ccc2O1 ZINC000040546426 527554156 /nfs/dbraw/zinc/55/41/56/527554156.db2.gz YMXRKHLKGKAYIN-AREMUKBSSA-N 0 0 407.473 5.801 40 0 HKABRN CC(=O)c1cccc(Nc2nc(-c3sc(NC(=O)C(C)(C)C)nc3C)cs2)c1 ZINC000040556430 518446775 /nfs/dbraw/zinc/44/67/75/518446775.db2.gz HXPCSQORTCRUQX-UHFFFAOYSA-N 0 0 414.556 5.506 40 0 HKABRN COc1ccc(C)cc1Nc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)cs1 ZINC000040556442 523845326 /nfs/dbraw/zinc/84/53/26/523845326.db2.gz HEYSFHVQRSZVHA-UHFFFAOYSA-N 0 0 416.572 5.620 40 0 HKABRN Cc1nc(NC(=O)C[C@@H]2CCCCO2)sc1-c1csc(Nc2ccccc2)n1 ZINC000040556443 526978538 /nfs/dbraw/zinc/97/85/38/526978538.db2.gz MUIUUYDABPRGCD-HNNXBMFYSA-N 0 0 414.556 5.216 40 0 HKABRN Cc1nc(NC(=O)C[C@H]2CCCCO2)sc1-c1csc(Nc2ccccc2)n1 ZINC000040556444 526977719 /nfs/dbraw/zinc/97/77/19/526977719.db2.gz MUIUUYDABPRGCD-OAHLLOKOSA-N 0 0 414.556 5.216 40 0 HKABRN Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2ncccc2C)n1 ZINC000040556468 526993848 /nfs/dbraw/zinc/99/38/48/526993848.db2.gz HCDKFIRXHCBFGO-UHFFFAOYSA-N 0 0 407.524 5.274 40 0 HKABRN Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2c(C)cccc2C)n1 ZINC000040556470 526975272 /nfs/dbraw/zinc/97/52/72/526975272.db2.gz DKVBSUHCRFRUJF-UHFFFAOYSA-N 0 0 400.573 5.920 40 0 HKABRN Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2cc(C)cc(C)c2)n1 ZINC000040556471 526974914 /nfs/dbraw/zinc/97/49/14/526974914.db2.gz JNDXUKVPHQQVJW-UHFFFAOYSA-N 0 0 400.573 5.920 40 0 HKABRN Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2nccc3ccccc32)n1 ZINC000040556474 526974800 /nfs/dbraw/zinc/97/48/00/526974800.db2.gz LTFDWYDMMYUOJI-UHFFFAOYSA-N 0 0 423.567 5.851 40 0 HKABRN Cc1nc(NC(=O)c2cccs2)sc1-c1csc(Nc2ncccc2C)n1 ZINC000040556499 526993718 /nfs/dbraw/zinc/99/37/18/526993718.db2.gz HSXXGKVULYKRAX-UHFFFAOYSA-N 0 0 413.553 5.336 40 0 HKABRN O=C1SC(=Cc2ccc(-c3cc[nH]n3)s2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000040556507 527103887 /nfs/dbraw/zinc/10/38/87/527103887.db2.gz GBXQLVVXHRBCMC-DHDCSXOGSA-N 0 0 421.425 5.398 40 0 HKABRN O=C1S/C(=C\c2cnc(-c3ccccc3)o2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000040556510 527103541 /nfs/dbraw/zinc/10/35/41/527103541.db2.gz XRAKLGRUYYUNFD-YBEGLDIGSA-N 0 0 416.380 5.601 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)c1cccnc1Nc1ccc(F)c(Cl)c1 ZINC000040556516 524242717 /nfs/dbraw/zinc/24/27/17/524242717.db2.gz UWOJFPKUJYFUJQ-UHFFFAOYSA-N 0 0 406.244 5.532 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)c1cccnc1Nc1cc(Cl)ccc1OC ZINC000040556520 524242653 /nfs/dbraw/zinc/24/26/53/524242653.db2.gz AYYOASHPLXMDHF-UHFFFAOYSA-N 0 0 418.280 5.402 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000040556521 524242025 /nfs/dbraw/zinc/24/20/25/524242025.db2.gz LFNYQFXICGJINX-UHFFFAOYSA-N 0 0 421.806 5.758 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1 ZINC000040556524 524242119 /nfs/dbraw/zinc/24/21/19/524242119.db2.gz GCKFWLWZMQSSRE-UHFFFAOYSA-N 0 0 422.699 6.046 40 0 HKABRN CCCCCc1ccc(Nc2ncccc2C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000040556527 520325458 /nfs/dbraw/zinc/32/54/58/520325458.db2.gz LDSZVQBTMUTZIQ-UHFFFAOYSA-N 0 0 423.944 6.472 40 0 HKABRN C/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)CC=CC(C)=CCc1[nH]c(OC)c(OC)c(=O)c1C ZINC000040572029 518484460 /nfs/dbraw/zinc/48/44/60/518484460.db2.gz ZQLBCAUKNYXILZ-XOKLFHNXSA-N 0 0 415.574 5.457 40 0 in-vitro HKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cccnc1Cl ZINC000040717914 569351943 /nfs/dbraw/zinc/35/19/43/569351943.db2.gz GQABCWQBZYQXPM-UHFFFAOYSA-N 0 0 405.889 5.153 40 0 HKABRN CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000040851410 559126023 /nfs/dbraw/zinc/12/60/23/559126023.db2.gz COLYMFRXLSKHAU-UHFFFAOYSA-N 0 0 424.338 5.793 40 0 HKABRN Cc1ccc(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000040853697 559129330 /nfs/dbraw/zinc/12/93/30/559129330.db2.gz PEUQSPZHXGMZCJ-UHFFFAOYSA-N 0 0 419.369 5.612 40 0 HKABRN COc1ccc(-c2csc(NC(=O)COc3cc(C)c(Cl)c(C)c3)n2)cc1 ZINC000040870402 559129798 /nfs/dbraw/zinc/12/97/98/559129798.db2.gz JTFXEZNLSZUOIR-UHFFFAOYSA-N 0 0 402.903 5.106 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(C)c1Cl ZINC000040913196 559133587 /nfs/dbraw/zinc/13/35/87/559133587.db2.gz UIJGJBBKEKHGAR-SFHVURJKSA-N 0 0 409.913 5.942 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(C)c1Cl ZINC000040913197 559133557 /nfs/dbraw/zinc/13/35/57/559133557.db2.gz UIJGJBBKEKHGAR-GOSISDBHSA-N 0 0 409.913 5.942 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000040913208 559133573 /nfs/dbraw/zinc/13/35/73/559133573.db2.gz YLKOHVSRYGPNEL-MRXNPFEDSA-N 0 0 403.906 5.320 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000040913209 559133580 /nfs/dbraw/zinc/13/35/80/559133580.db2.gz YLKOHVSRYGPNEL-INIZCTEOSA-N 0 0 403.906 5.320 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C)c1Cl ZINC000040913266 559133581 /nfs/dbraw/zinc/13/35/81/559133581.db2.gz MPXJAHUCZNITDO-NSHDSACASA-N 0 0 406.231 6.035 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C)c1Cl ZINC000040913267 559133569 /nfs/dbraw/zinc/13/35/69/559133569.db2.gz MPXJAHUCZNITDO-LLVKDONJSA-N 0 0 406.231 6.035 40 0 HKABRN Cc1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000040925555 559133577 /nfs/dbraw/zinc/13/35/77/559133577.db2.gz SLADHMDJMIXJTF-UHFFFAOYSA-N 0 0 418.949 6.543 40 0 HKABRN CCCCc1ccc(NC(=O)COc2ccc(C(C)C)cc2Br)cc1 ZINC000040942477 521279558 /nfs/dbraw/zinc/27/95/58/521279558.db2.gz VDUOTLDORCBUJL-UHFFFAOYSA-N 0 0 404.348 5.933 40 0 HKABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(C(C)C)cc1Br ZINC000040942513 524234130 /nfs/dbraw/zinc/23/41/30/524234130.db2.gz DYQDUURCMSURQG-UHFFFAOYSA-N 0 0 404.348 6.022 40 0 HKABRN CCc1cccc(CC)c1NC(=O)COc1ccc(C(C)C)cc1Br ZINC000040942523 524068217 /nfs/dbraw/zinc/06/82/17/524068217.db2.gz IWULEYAWTOYJEQ-UHFFFAOYSA-N 0 0 404.348 5.715 40 0 HKABRN CC(C)Oc1ccc(NC(=O)COc2ccc(C(C)C)cc2Br)cc1 ZINC000040942615 519780513 /nfs/dbraw/zinc/78/05/13/519780513.db2.gz IGFIVYFBNHTOAP-UHFFFAOYSA-N 0 0 406.320 5.377 40 0 HKABRN CCc1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)c(Br)c1 ZINC000040942904 524003016 /nfs/dbraw/zinc/00/30/16/524003016.db2.gz BZCOFYWPZFMMPJ-UHFFFAOYSA-N 0 0 424.338 5.296 40 0 HKABRN CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000040942941 519838120 /nfs/dbraw/zinc/83/81/20/519838120.db2.gz XERGRSGGAYFARY-UHFFFAOYSA-N 0 0 417.130 5.897 40 0 HKABRN CC(C)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(Br)c1 ZINC000040942948 519838056 /nfs/dbraw/zinc/83/80/56/519838056.db2.gz DZMDLKJELAVXHO-UHFFFAOYSA-N 0 0 417.130 5.897 40 0 HKABRN CC(C)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Br)c1 ZINC000040943884 519838115 /nfs/dbraw/zinc/83/81/15/519838115.db2.gz YWKNOLAYLIXLSX-UHFFFAOYSA-N 0 0 416.237 5.609 40 0 HKABRN CCc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c(Br)c1 ZINC000040943941 524005904 /nfs/dbraw/zinc/00/59/04/524005904.db2.gz FKSHAZPFONZYDL-UHFFFAOYSA-N 0 0 417.347 5.019 40 0 HKABRN O=C(COc1ccc(Cl)cc1Br)Nc1ccc(N2CCCCC2)cc1 ZINC000040943942 526954840 /nfs/dbraw/zinc/95/48/40/526954840.db2.gz QQWJSXKYLDQFCB-UHFFFAOYSA-N 0 0 423.738 5.110 40 0 HKABRN COc1ccc(NC(=O)COc2ccc(C(C)C)cc2Br)cc1Cl ZINC000040944009 524502114 /nfs/dbraw/zinc/50/21/14/524502114.db2.gz NUOZYAXWNMTGNH-UHFFFAOYSA-N 0 0 412.711 5.252 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)COc1ccc(C(C)C)cc1Br ZINC000040944341 524227438 /nfs/dbraw/zinc/22/74/38/524227438.db2.gz HHVCTAJXAHCEKE-UHFFFAOYSA-N 0 0 412.711 5.252 40 0 HKABRN COc1cccc(OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 ZINC000040946495 526229645 /nfs/dbraw/zinc/22/96/45/526229645.db2.gz DOPQZSCZFXWUES-UHFFFAOYSA-N 0 0 404.491 5.298 40 0 HKABRN CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NC2CC2)c1 ZINC000040952363 568694097 /nfs/dbraw/zinc/69/40/97/568694097.db2.gz PVAOGZXUOOHSMN-UHFFFAOYSA-N 0 0 417.634 6.638 40 0 in-vitro HKABRN COc1ccccc1C(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 ZINC000040967812 559134430 /nfs/dbraw/zinc/13/44/30/559134430.db2.gz YJIHNAWPQNWXLI-UHFFFAOYSA-N 0 0 403.301 5.142 40 0 HKABRN Cc1ccc(C)c(N(C(=O)c2c(C)cc(C)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000040967954 524113344 /nfs/dbraw/zinc/11/33/44/524113344.db2.gz DLDPZQPQZPOWHD-UHFFFAOYSA-N 0 0 407.535 5.264 40 0 HKABRN Cc1ccc(-c2noc(CCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1 ZINC000041001911 525875407 /nfs/dbraw/zinc/87/54/07/525875407.db2.gz ZQVVLKDONMLDPO-UHFFFAOYSA-N 0 0 409.795 5.289 40 0 HKABRN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000041001964 526643690 /nfs/dbraw/zinc/64/36/90/526643690.db2.gz CLIAERNKWAEINU-UHFFFAOYSA-N 0 0 413.758 5.119 40 0 HKABRN COc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1ccc(Br)cc1 ZINC000041005027 568694156 /nfs/dbraw/zinc/69/41/56/568694156.db2.gz BGJYEHIOHHNTHD-UHFFFAOYSA-N 0 0 409.283 5.580 40 0 HKABRN COc1cc(-c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1 ZINC000041005055 568694115 /nfs/dbraw/zinc/69/41/15/568694115.db2.gz OTHVXJBJMNCICJ-UHFFFAOYSA-N 0 0 409.283 5.580 40 0 HKABRN COc1cc(-c2nc3ccccc3[nH]2)cc(Br)c1OCc1cccc(C)c1 ZINC000041005076 568694207 /nfs/dbraw/zinc/69/42/07/568694207.db2.gz YWNUUVMXNLNJAA-UHFFFAOYSA-N 0 0 423.310 5.888 40 0 HKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc2cc(Br)ccc2o1 ZINC000041007280 559134252 /nfs/dbraw/zinc/13/42/52/559134252.db2.gz FIJAZVRMYXKFBB-UHFFFAOYSA-N 0 0 418.596 6.120 40 0 HKABRN CCCOc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2C)cc1OC ZINC000041012463 559134204 /nfs/dbraw/zinc/13/42/04/559134204.db2.gz YVSCEGYHUWKVCQ-UXBLZVDNSA-N 0 0 404.304 5.207 40 0 HKABRN O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000041019224 526658345 /nfs/dbraw/zinc/65/83/45/526658345.db2.gz PEZQKHBLRYWLBG-UHFFFAOYSA-N 0 0 412.770 5.724 40 0 HKABRN CCc1ccccc1OCCSc1nc2ccccc2n1Cc1cccc(C)c1 ZINC000041076818 521922789 /nfs/dbraw/zinc/92/27/89/521922789.db2.gz JEZRIXMHJAPEFZ-UHFFFAOYSA-N 0 0 402.563 6.127 40 0 HKABRN Cc1cccc(Cn2c3ccccc3nc2SCCOc2ccc(Cl)c(C)c2)c1 ZINC000041076820 524493098 /nfs/dbraw/zinc/49/30/98/524493098.db2.gz HJRJXQUQVUJMSF-UHFFFAOYSA-N 0 0 422.981 6.526 40 0 HKABRN COc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2cccc(C)c2)cc1 ZINC000041076821 524781464 /nfs/dbraw/zinc/78/14/64/524781464.db2.gz KBBVTMFPXRODAN-UHFFFAOYSA-N 0 0 418.518 5.099 40 0 HKABRN Cc1cccc(Cn2c3ccccc3nc2SCC(=O)Oc2ccc(C)c(C)c2)c1 ZINC000041076822 524492071 /nfs/dbraw/zinc/49/20/71/524492071.db2.gz NBLPEGVSZCDEFC-UHFFFAOYSA-N 0 0 416.546 5.708 40 0 HKABRN CCc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2cccc(C)c2)cc1 ZINC000041076823 524000684 /nfs/dbraw/zinc/00/06/84/524000684.db2.gz NITRWVFNAMVGSE-UHFFFAOYSA-N 0 0 416.546 5.653 40 0 HKABRN CCc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2cccc(C)c2)cc1 ZINC000041076827 523974192 /nfs/dbraw/zinc/97/41/92/523974192.db2.gz JVFDZJMHNNECJN-UHFFFAOYSA-N 0 0 415.562 5.686 40 0 HKABRN Cc1cccc(Cn2c3ccccc3nc2SCC(=O)Nc2cc(F)ccc2F)c1 ZINC000041076828 524493137 /nfs/dbraw/zinc/49/31/37/524493137.db2.gz BOBVZTVELFMUTF-UHFFFAOYSA-N 0 0 423.488 5.402 40 0 HKABRN CCc1ccccc1NC(=O)CSc1nc2ccccc2n1Cc1cccc(C)c1 ZINC000041076831 521876549 /nfs/dbraw/zinc/87/65/49/521876549.db2.gz AYMQOKVNESJUDA-UHFFFAOYSA-N 0 0 415.562 5.686 40 0 HKABRN Cc1cccc(Cn2c3ccccc3nc2SCC(=O)Nc2cccc(F)c2)c1 ZINC000041076832 524492884 /nfs/dbraw/zinc/49/28/84/524492884.db2.gz GDYZQIXXRYGMMV-UHFFFAOYSA-N 0 0 405.498 5.263 40 0 HKABRN Cc1cccc(Cn2c3ccccc3nc2SCC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000041076833 524493523 /nfs/dbraw/zinc/49/35/23/524493523.db2.gz SYUUQMCMEHMYQH-UHFFFAOYSA-N 0 0 415.562 5.741 40 0 HKABRN COc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2cccc(C)c2)cc1 ZINC000041076834 524508891 /nfs/dbraw/zinc/50/88/91/524508891.db2.gz JZWUIIDRBPPKJZ-UHFFFAOYSA-N 0 0 417.534 5.132 40 0 HKABRN Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2cccc(C)c2)cc1 ZINC000041076835 525080847 /nfs/dbraw/zinc/08/08/47/525080847.db2.gz BFTGBHVGVVAZRD-UHFFFAOYSA-N 0 0 401.535 5.432 40 0 HKABRN Cc1cccc(Cn2c3ccccc3nc2SCC(=O)Nc2ccccc2C)c1 ZINC000041076836 524493673 /nfs/dbraw/zinc/49/36/73/524493673.db2.gz WRSJZXYWHKPGPP-UHFFFAOYSA-N 0 0 401.535 5.432 40 0 HKABRN Cc1ccccc1Cn1c2ccccc2nc1SCC(=O)Nc1cc(F)ccc1F ZINC000041076838 525211564 /nfs/dbraw/zinc/21/15/64/525211564.db2.gz NZXWPOGPMICESS-UHFFFAOYSA-N 0 0 423.488 5.402 40 0 HKABRN CCc1ccccc1NC(=O)CSc1nc2ccccc2n1Cc1ccccc1C ZINC000041076846 521875292 /nfs/dbraw/zinc/87/52/92/521875292.db2.gz UFMNHUUDNGABCD-UHFFFAOYSA-N 0 0 415.562 5.686 40 0 HKABRN COc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)cc1 ZINC000041076850 524510340 /nfs/dbraw/zinc/51/03/40/524510340.db2.gz LUCUZVRXGAAYRH-UHFFFAOYSA-N 0 0 417.534 5.132 40 0 HKABRN Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)c(C)c1 ZINC000041076851 525081151 /nfs/dbraw/zinc/08/11/51/525081151.db2.gz YNDQVGUETIOPGQ-UHFFFAOYSA-N 0 0 415.562 5.741 40 0 HKABRN Cc1ccccc1Cn1c2ccccc2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000041076852 525212033 /nfs/dbraw/zinc/21/20/33/525212033.db2.gz UBHHQBVZTCKGOW-UHFFFAOYSA-N 0 0 421.953 5.777 40 0 HKABRN CCc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)cc1 ZINC000041076854 524000974 /nfs/dbraw/zinc/00/09/74/524000974.db2.gz BLQOFTZPKUDUNN-UHFFFAOYSA-N 0 0 416.546 5.653 40 0 HKABRN Cc1cc(C)cc(OC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)c1 ZINC000041076855 524438446 /nfs/dbraw/zinc/43/84/46/524438446.db2.gz BZJKTNXPLVZSOM-UHFFFAOYSA-N 0 0 416.546 5.708 40 0 HKABRN Cc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)cc1 ZINC000041076856 525367355 /nfs/dbraw/zinc/36/73/55/525367355.db2.gz NZVXTVFAMYHNNW-UHFFFAOYSA-N 0 0 402.519 5.399 40 0 HKABRN Cc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)cc1C ZINC000041076857 525367581 /nfs/dbraw/zinc/36/75/81/525367581.db2.gz USLXGAKYLJMPAA-UHFFFAOYSA-N 0 0 416.546 5.708 40 0 HKABRN COc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)cc1 ZINC000041076858 524781983 /nfs/dbraw/zinc/78/19/83/524781983.db2.gz ZRZZGUFHAHNKDG-UHFFFAOYSA-N 0 0 418.518 5.099 40 0 HKABRN Cc1cccc(C)c1OC(=O)CSc1nc2ccccc2n1Cc1ccc(F)cc1 ZINC000041076859 524304390 /nfs/dbraw/zinc/30/43/90/524304390.db2.gz OCWMAQHYEWTGTL-UHFFFAOYSA-N 0 0 420.509 5.538 40 0 HKABRN Cc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 ZINC000041076861 525367147 /nfs/dbraw/zinc/36/71/47/525367147.db2.gz VWEZROSOQWRNHX-UHFFFAOYSA-N 0 0 406.482 5.230 40 0 HKABRN Cc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)cc1C ZINC000041076862 525367365 /nfs/dbraw/zinc/36/73/65/525367365.db2.gz POHLTFLZCHSDET-UHFFFAOYSA-N 0 0 420.509 5.538 40 0 HKABRN Cc1cccc(OC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)c1C ZINC000041076863 524704897 /nfs/dbraw/zinc/70/48/97/524704897.db2.gz PDYDCUFKWAGIPZ-UHFFFAOYSA-N 0 0 420.509 5.538 40 0 HKABRN CCc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 ZINC000041076865 524000890 /nfs/dbraw/zinc/00/08/90/524000890.db2.gz PFGAJGWJDNBRAE-UHFFFAOYSA-N 0 0 420.509 5.484 40 0 HKABRN CCc1cccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)c1 ZINC000041076869 521753747 /nfs/dbraw/zinc/75/37/47/521753747.db2.gz QEZXOCNDFUUDFC-UHFFFAOYSA-N 0 0 419.525 5.517 40 0 HKABRN CCc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 ZINC000041076871 523974592 /nfs/dbraw/zinc/97/45/92/523974592.db2.gz CTDSKKBLIKUQIR-UHFFFAOYSA-N 0 0 419.525 5.517 40 0 HKABRN Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)cc1C ZINC000041076874 525080311 /nfs/dbraw/zinc/08/03/11/525080311.db2.gz UJKSRADHHYBZOJ-UHFFFAOYSA-N 0 0 419.525 5.571 40 0 HKABRN Cc1cccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 ZINC000041076883 524604578 /nfs/dbraw/zinc/60/45/78/524604578.db2.gz WORRBBZZJLQPIR-UHFFFAOYSA-N 0 0 421.953 5.777 40 0 HKABRN CCc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000041076891 524000703 /nfs/dbraw/zinc/00/07/03/524000703.db2.gz CJKHOAZAWOWMOQ-UHFFFAOYSA-N 0 0 402.519 5.345 40 0 HKABRN CSc1cccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c1 ZINC000041076893 526115370 /nfs/dbraw/zinc/11/53/70/526115370.db2.gz OMTUWCRRWNNCHJ-UHFFFAOYSA-N 0 0 419.575 5.537 40 0 HKABRN CCc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000041076894 523973877 /nfs/dbraw/zinc/97/38/77/523973877.db2.gz ADALLNZOXWEXJI-UHFFFAOYSA-N 0 0 401.535 5.378 40 0 HKABRN O=C(CSc1nc2ccccc2n1Cc1ccccc1)NCc1ccccc1Cl ZINC000041076895 527063257 /nfs/dbraw/zinc/06/32/57/527063257.db2.gz NRQGRAZJUVZPBV-UHFFFAOYSA-N 0 0 421.953 5.147 40 0 HKABRN O=C(CSc1nc2ccccc2n1Cc1ccccc1)NCc1ccc(Cl)cc1 ZINC000041076896 527063659 /nfs/dbraw/zinc/06/36/59/527063659.db2.gz SZAWCCHZDYBDPA-UHFFFAOYSA-N 0 0 421.953 5.147 40 0 HKABRN Cc1ccc2c(=O)cc(CSc3nnc(CC(C)C)n3-c3ccccc3)[nH]c2c1C ZINC000041077348 526118035 /nfs/dbraw/zinc/11/80/35/526118035.db2.gz JBSUAJZCPPHUOV-UHFFFAOYSA-N 0 0 418.566 5.216 40 0 HKABRN Cc1cccc(OCCn2cc(/C=C3/N=C(c4ccccc4)OC3=O)c3ccccc32)c1 ZINC000041078051 524751032 /nfs/dbraw/zinc/75/10/32/524751032.db2.gz KWAOIOYNVJBHKZ-JJIBRWJFSA-N 0 0 422.484 5.373 40 0 HKABRN Cc1ccc(OCc2ccccc2Cl)c(/C=C2/N=C(c3cccs3)OC2=O)c1 ZINC000041082752 525445721 /nfs/dbraw/zinc/44/57/21/525445721.db2.gz JWXABDJWVSQTGY-LDADJPATSA-N 0 0 409.894 5.633 40 0 HKABRN Cc1ccc(OCCOc2cccc(/C=C3\N=C(c4ccccc4)OC3=O)c2)c(C)c1 ZINC000041082773 525425489 /nfs/dbraw/zinc/42/54/89/525425489.db2.gz WXZGIGYJWYSJTO-QJOMJCCJSA-N 0 0 413.473 5.106 40 0 HKABRN Cc1ccc2oc(-c3cc(NC(=O)c4ccccc4Br)ccc3O)nc2c1 ZINC000041085978 524086039 /nfs/dbraw/zinc/08/60/39/524086039.db2.gz NAEAVGULJRKYKR-UHFFFAOYSA-N 0 0 423.266 5.524 40 0 HKABRN O=C(Nc1ccc2nc(-c3ccccc3F)oc2c1)c1ccc(Br)cc1 ZINC000041085998 527298496 /nfs/dbraw/zinc/29/84/96/527298496.db2.gz IQZNGENGEOAHFX-UHFFFAOYSA-N 0 0 411.230 5.649 40 0 HKABRN O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1ccccc1Br ZINC000041086000 527298456 /nfs/dbraw/zinc/29/84/56/527298456.db2.gz NTNREVFWOCZZHK-UHFFFAOYSA-N 0 0 411.230 5.649 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc3nc(-c4cccc(Cl)c4)oc3c2)cc1C ZINC000041086021 525395113 /nfs/dbraw/zinc/39/51/13/525395113.db2.gz CPYSYXOXPQXZMJ-UHFFFAOYSA-N 0 0 406.869 5.783 40 0 HKABRN COc1ccc(-c2nc3ccc(NC(=O)c4ccc(Br)cc4)cc3o2)cc1 ZINC000041086039 523229284 /nfs/dbraw/zinc/22/92/84/523229284.db2.gz BBEVBTQGXVDCAW-UHFFFAOYSA-N 0 0 423.266 5.518 40 0 HKABRN Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc4c(Cl)cccc34)c2)c1 ZINC000041091601 524220421 /nfs/dbraw/zinc/22/04/21/524220421.db2.gz YYPCOAAUHBNVST-UHFFFAOYSA-N 0 0 414.892 6.306 40 0 HKABRN Cc1cccc(C(=O)Nc2cccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2)c1 ZINC000041091611 524220588 /nfs/dbraw/zinc/22/05/88/524220588.db2.gz XETGJDUAHDZAPW-UHFFFAOYSA-N 0 0 402.538 5.792 40 0 HKABRN O=C1c2c(oc3ccccc3c2=O)[C@@H](c2ccc(Cl)cc2)N1CCc1ccccc1 ZINC000041104998 527121528 /nfs/dbraw/zinc/12/15/28/527121528.db2.gz TZEUPGXGZPWTCY-JOCHJYFZSA-N 0 0 415.876 5.234 40 0 HKABRN O=C1c2c(oc3ccccc3c2=O)[C@H](c2ccc(Cl)cc2)N1CCc1ccccc1 ZINC000041104999 527120804 /nfs/dbraw/zinc/12/08/04/527120804.db2.gz TZEUPGXGZPWTCY-QFIPXVFZSA-N 0 0 415.876 5.234 40 0 HKABRN COc1ccc(OCc2cccc(C)c2)c(/C=C2/N=C(c3cccc(C)c3)OC2=O)c1 ZINC000041108842 524974791 /nfs/dbraw/zinc/97/47/91/524974791.db2.gz QOYRVWUXJCTCLK-HZHRSRAPSA-N 0 0 413.473 5.236 40 0 HKABRN Cc1ncc(NC(=O)c2cccs2)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041124297 527302445 /nfs/dbraw/zinc/30/24/45/527302445.db2.gz YKXDJBMVVCSEKG-UHFFFAOYSA-N 0 0 400.916 5.271 40 0 HKABRN Cc1ncc(NC(=O)CCc2ccccc2)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041124316 527293139 /nfs/dbraw/zinc/29/31/39/527293139.db2.gz FZYPORSGSRUIRG-UHFFFAOYSA-N 0 0 422.941 5.529 40 0 HKABRN COc1cccc(C(=O)[C@H](C)OC(=O)c2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000041125381 525840997 /nfs/dbraw/zinc/84/09/97/525840997.db2.gz UOAMQPZWJZFRAM-KRWDZBQOSA-N 0 0 411.457 5.339 40 0 HKABRN COc1cccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000041125382 525840853 /nfs/dbraw/zinc/84/08/53/525840853.db2.gz UOAMQPZWJZFRAM-QGZVFWFLSA-N 0 0 411.457 5.339 40 0 HKABRN O=C(Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)NC1CCCCC1 ZINC000041127153 527214681 /nfs/dbraw/zinc/21/46/81/527214681.db2.gz DIYMSLZGWWDBKX-UHFFFAOYSA-N 0 0 403.309 5.793 40 0 HKABRN C[C@@H]1CCCCN1C(=O)Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 ZINC000041127167 524090304 /nfs/dbraw/zinc/09/03/04/524090304.db2.gz KGRQQLKZHAUNOD-CYBMUJFWSA-N 0 0 403.309 5.745 40 0 HKABRN C[C@H]1CCCCN1C(=O)Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 ZINC000041127169 526243375 /nfs/dbraw/zinc/24/33/75/526243375.db2.gz KGRQQLKZHAUNOD-ZDUSSCGKSA-N 0 0 403.309 5.745 40 0 HKABRN CC1CCN(C(=O)Cc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)CC1 ZINC000041127171 520981258 /nfs/dbraw/zinc/98/12/58/520981258.db2.gz MZUNBHTZUFIOFD-UHFFFAOYSA-N 0 0 403.309 5.603 40 0 HKABRN COC(=O)Cc1ccccc1-c1nc2cc(-c3ccccc3)cc(Br)c2o1 ZINC000041127408 523376035 /nfs/dbraw/zinc/37/60/35/523376035.db2.gz QFWIRNFUJDWBAV-UHFFFAOYSA-N 0 0 422.278 5.640 40 0 HKABRN COC(=O)Cc1cccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c1 ZINC000041127418 523370229 /nfs/dbraw/zinc/37/02/29/523370229.db2.gz JZTMDVHXISTDBT-UHFFFAOYSA-N 0 0 422.278 5.640 40 0 HKABRN COC(=O)Cc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1 ZINC000041127446 523365127 /nfs/dbraw/zinc/36/51/27/523365127.db2.gz PBUVGPYEVFTUMW-UHFFFAOYSA-N 0 0 422.278 5.640 40 0 HKABRN O=C(Cc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)NC1CCCCC1 ZINC000041127665 527255634 /nfs/dbraw/zinc/25/56/34/527255634.db2.gz CLGXMORTQAPGLI-UHFFFAOYSA-N 0 0 403.309 5.793 40 0 HKABRN C[C@@H]1CCCCN1C(=O)Cc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 ZINC000041127669 524090756 /nfs/dbraw/zinc/09/07/56/524090756.db2.gz AAANGIWSJJCSQK-CYBMUJFWSA-N 0 0 403.309 5.745 40 0 HKABRN C[C@H]1CCCCN1C(=O)Cc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 ZINC000041127671 526243279 /nfs/dbraw/zinc/24/32/79/526243279.db2.gz AAANGIWSJJCSQK-ZDUSSCGKSA-N 0 0 403.309 5.745 40 0 HKABRN CC1CCN(C(=O)Cc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)CC1 ZINC000041127672 520981707 /nfs/dbraw/zinc/98/17/07/520981707.db2.gz VZKNJDVEZOOOQG-UHFFFAOYSA-N 0 0 403.309 5.603 40 0 HKABRN FC(F)(F)c1nc2ccccc2c(Nc2ccc3[nH]nc(-c4cccs4)c3c2)n1 ZINC000041181216 527690678 /nfs/dbraw/zinc/69/06/78/527690678.db2.gz RDLSSEQIXBWRHC-UHFFFAOYSA-N 0 0 411.412 5.997 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2)cc(C)c1Cl ZINC000041303036 560861352 /nfs/dbraw/zinc/86/13/52/560861352.db2.gz XRQCOGZDOUVEKD-HNNXBMFYSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2)cc(C)c1Cl ZINC000041303042 560861314 /nfs/dbraw/zinc/86/13/14/560861314.db2.gz XRQCOGZDOUVEKD-OAHLLOKOSA-N 0 0 412.382 5.427 40 0 HKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000041303048 560861303 /nfs/dbraw/zinc/86/13/03/560861303.db2.gz SLKLOBQWGXVOPF-INIZCTEOSA-N 0 0 405.991 5.454 40 0 HKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000041303053 560861351 /nfs/dbraw/zinc/86/13/51/560861351.db2.gz SLKLOBQWGXVOPF-MRXNPFEDSA-N 0 0 405.991 5.454 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2)c1 ZINC000041303148 526248893 /nfs/dbraw/zinc/24/88/93/526248893.db2.gz SOMCUZZUZLVNBX-KRWDZBQOSA-N 0 0 405.991 5.589 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2)c1 ZINC000041303154 526249388 /nfs/dbraw/zinc/24/93/88/526249388.db2.gz SOMCUZZUZLVNBX-QGZVFWFLSA-N 0 0 405.991 5.589 40 0 HKABRN Cc1cccc2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)oc21 ZINC000041306820 524972177 /nfs/dbraw/zinc/97/21/77/524972177.db2.gz MAGOBXDQNGXIHU-UHFFFAOYSA-N 0 0 410.517 5.289 40 0 HKABRN Cc1c(COC(=O)[C@H]2[C@H](/C=C(/Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1 ZINC000043068481 525730845 /nfs/dbraw/zinc/73/08/45/525730845.db2.gz OMFRMAHOUUJSGP-NQSNNJOGSA-N 0 0 422.874 6.662 40 0 in-vitro HKABRN CC(C)(O)c1ccccc1-c1ccc2[nH]c(C=Cc3ccc(C(F)(F)F)cc3)nc2c1 ZINC000043175494 571317673 /nfs/dbraw/zinc/31/76/73/571317673.db2.gz ORDHXXHTBUZRCN-NTEUORMPSA-N 0 0 422.450 6.647 40 0 investigational HKABRN CC(C)n1c2ccccc2nc1CN(CCCn1ccnc1)Cc1ccc(F)cc1 ZINC000043277678 519928237 /nfs/dbraw/zinc/92/82/37/519928237.db2.gz QFNOIGYCICGBEO-UHFFFAOYSA-N 0 0 405.521 5.045 40 0 HKABRN Cc1ccc2occ(CN(CCCn3ccnc3)Cc3ccccc3Cl)c(=O)c2c1 ZINC000043277783 524098714 /nfs/dbraw/zinc/09/87/14/524098714.db2.gz FWQLYCZIGSTJOU-UHFFFAOYSA-N 0 0 421.928 5.044 40 0 HKABRN COc1ccccc1CN(CCCn1ccnc1)Cc1cccc(Cl)c1Cl ZINC000043277801 524440081 /nfs/dbraw/zinc/44/00/81/524440081.db2.gz FSGAYRZEVNDSHK-UHFFFAOYSA-N 0 0 404.341 5.291 40 0 HKABRN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]23)C[C@@H](O)C[C@@H]1O ZINC000043505173 558261668 /nfs/dbraw/zinc/26/16/68/558261668.db2.gz OFHCOWSQAMBJIW-VUFHZELESA-N 0 0 400.647 6.590 40 0 HKABRN Cc1ccc(/C=C/c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)o1 ZINC000043505181 525957869 /nfs/dbraw/zinc/95/78/69/525957869.db2.gz XOPKKHCDIAYUSK-SNAWJCMRSA-N 0 0 421.926 5.597 40 0 HKABRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)O[C@H](c1ccccc1)[C@H](C)c1ccccc1 ZINC000043760062 559171615 /nfs/dbraw/zinc/17/16/15/559171615.db2.gz YPMQXOFDCXSPCT-NMSOHLOSSA-N 0 0 408.582 6.552 40 0 HKABRN O=C(OCc1ccccc1)c1cc2c(c(O)c1)OC(c1ccccc1)(c1ccccc1)O2 ZINC000044136349 526426613 /nfs/dbraw/zinc/42/66/13/526426613.db2.gz FFMYRWYMARPJCC-UHFFFAOYSA-N 0 0 424.452 5.422 40 0 in-vitro HKABRN Clc1ccc([C@H](Cn2ccnc2)OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000044136499 526962334 /nfs/dbraw/zinc/96/23/34/526962334.db2.gz SZRYZAYGHYHAFH-SFHVURJKSA-N 0 0 416.135 6.455 40 0 in-vitro HKABRN Clc1ccc([C@@H](Cn2ccnc2)OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000044136501 526961209 /nfs/dbraw/zinc/96/12/09/526961209.db2.gz SZRYZAYGHYHAFH-GOSISDBHSA-N 0 0 416.135 6.455 40 0 in-vitro HKABRN CCOC(=O)/C(Br)=C/c1c(C)n(C(=O)OC(C)(C)C)c2ccccc12 ZINC000044137752 520397652 /nfs/dbraw/zinc/39/76/52/520397652.db2.gz DFNOQBJMXWGUHQ-PTNGSMBKSA-N 0 0 408.292 5.032 40 0 HKABRN CC(C)NC(=O)c1cc(Br)ccc1-c1cccc(OC(F)(F)F)c1 ZINC000044137824 519716519 /nfs/dbraw/zinc/71/65/19/519716519.db2.gz HKTOOLIMHFDPCR-UHFFFAOYSA-N 0 0 402.210 5.153 40 0 HKABRN COC(=O)c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000044199931 521797309 /nfs/dbraw/zinc/79/73/09/521797309.db2.gz LXILYFUEXNSTJB-UHFFFAOYSA-N 0 0 420.086 5.130 40 0 HKABRN O=Cc1ccc(OCc2ccc(-c3ccc(COc4ccc(C=O)cc4)cc3)cc2)cc1 ZINC000044563527 527150276 /nfs/dbraw/zinc/15/02/76/527150276.db2.gz LDCQCRIKZIMCGL-UHFFFAOYSA-N 0 0 422.480 6.137 40 0 HKABRN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]23)C[C@@H](O)C[C@@H]1O ZINC000044564226 558261677 /nfs/dbraw/zinc/26/16/77/558261677.db2.gz HKXBNHCUPKIYDM-ZDSJCPNKSA-N 0 0 412.658 6.612 40 0 HKABRN O=C1O[C@]2(c3ccccc31)c1ccc(O)cc1Oc1cc(Oc3ccc(O)cc3)ccc12 ZINC000044682032 560897081 /nfs/dbraw/zinc/89/70/81/560897081.db2.gz NPOSMYDPUKBGQL-AREMUKBSSA-N 0 0 424.408 5.458 40 0 in-vitro HKABRN O=C1O[C@@]2(c3ccccc31)c1ccc(O)cc1Oc1cc(Oc3ccc(O)cc3)ccc12 ZINC000044682034 560897117 /nfs/dbraw/zinc/89/71/17/560897117.db2.gz NPOSMYDPUKBGQL-SANMLTNESA-N 0 0 424.408 5.458 40 0 in-vitro HKABRN CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C ZINC000044689940 521601542 /nfs/dbraw/zinc/60/15/42/521601542.db2.gz HLDURSRJCIWNKA-UHFFFAOYSA-N 0 0 409.700 5.985 40 0 HKABRN O=C(CCCCCCOCc1ccccc1)CCCCCCOCc1ccccc1 ZINC000044699194 526424189 /nfs/dbraw/zinc/42/41/89/526424189.db2.gz BJRWCOBRUFZJGO-UHFFFAOYSA-N 0 0 410.598 6.890 40 0 in-vitro HKABRN CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@@H]21 ZINC000044699418 521274890 /nfs/dbraw/zinc/27/48/90/521274890.db2.gz BIYWBTKPNWCYHM-CHRHFRJDSA-N 0 0 400.559 5.391 40 0 in-vitro HKABRN O=C(Nc1ccc2[nH]c3ccccc3c2c1)c1cccc(I)c1 ZINC000044781701 527263828 /nfs/dbraw/zinc/26/38/28/527263828.db2.gz QAISMAUOIFWQOK-UHFFFAOYSA-N 0 0 412.230 5.178 40 0 HKABRN O=C(Nc1ccc2[nH]c3ccccc3c2c1)c1ccc(I)cc1 ZINC000044781705 527262940 /nfs/dbraw/zinc/26/29/40/527262940.db2.gz VEJYDLGANZTCDY-UHFFFAOYSA-N 0 0 412.230 5.178 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc3[nH]c4ccccc4c3c2)ccc1Br ZINC000044781771 525365139 /nfs/dbraw/zinc/36/51/39/525365139.db2.gz ZAPFEXRTIWCVCG-UHFFFAOYSA-N 0 0 409.283 5.410 40 0 HKABRN O=C(Nc1ccc2[nH]c3ccccc3c2c1)N1c2ccccc2Sc2ccccc21 ZINC000044781871 527264009 /nfs/dbraw/zinc/26/40/09/527264009.db2.gz KXHPPLQSISOHAS-UHFFFAOYSA-N 0 0 407.498 7.156 40 0 HKABRN CCc1ccc(OCC(=O)Nc2ccc3[nH]c4ccccc4c3c2)c(Br)c1 ZINC000044781933 524005245 /nfs/dbraw/zinc/00/52/45/524005245.db2.gz BUFKDELRRMRSTP-UHFFFAOYSA-N 0 0 423.310 5.664 40 0 HKABRN CSc1cccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000044786573 526109037 /nfs/dbraw/zinc/10/90/37/526109037.db2.gz GWKWBEBJHBGVKB-UHFFFAOYSA-N 0 0 419.388 5.022 40 0 HKABRN Cc1cc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c(C)c1 ZINC000044786862 524301321 /nfs/dbraw/zinc/30/13/21/524301321.db2.gz YXERBVCSJLWLJQ-GOSISDBHSA-N 0 0 405.369 5.769 40 0 HKABRN Cc1cc(C)c(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c(C)c1 ZINC000044786864 524303013 /nfs/dbraw/zinc/30/30/13/524303013.db2.gz YXERBVCSJLWLJQ-SFHVURJKSA-N 0 0 405.369 5.769 40 0 HKABRN Cc1cc(C)c(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c(C)c1 ZINC000044786870 524301091 /nfs/dbraw/zinc/30/10/91/524301091.db2.gz FITBYXIWBFODFV-QGZVFWFLSA-N 0 0 405.369 5.769 40 0 HKABRN Cc1cc(C)c(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c(C)c1 ZINC000044786872 524302861 /nfs/dbraw/zinc/30/28/61/524302861.db2.gz FITBYXIWBFODFV-KRWDZBQOSA-N 0 0 405.369 5.769 40 0 HKABRN CCc1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000044836845 524004607 /nfs/dbraw/zinc/00/46/07/524004607.db2.gz UQAATZYDYMVBQZ-UHFFFAOYSA-N 0 0 417.130 5.014 40 0 HKABRN Cc1ccccc1[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000044838638 525429837 /nfs/dbraw/zinc/42/98/37/525429837.db2.gz YUEVDVJUISPILV-OAQYLSRUSA-N 0 0 420.361 5.511 40 0 HKABRN Cc1ccccc1[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000044838642 525374464 /nfs/dbraw/zinc/37/44/64/525374464.db2.gz YUEVDVJUISPILV-NRFANRHFSA-N 0 0 420.361 5.511 40 0 HKABRN Cc1ccc([C@H](NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2)cc1 ZINC000044838879 525966511 /nfs/dbraw/zinc/96/65/11/525966511.db2.gz PARXQXVAMPLSKG-JOCHJYFZSA-N 0 0 400.305 5.586 40 0 HKABRN Cc1ccc([C@@H](NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2)cc1 ZINC000044838883 525770623 /nfs/dbraw/zinc/77/06/23/525770623.db2.gz PARXQXVAMPLSKG-QFIPXVFZSA-N 0 0 400.305 5.586 40 0 HKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000044839039 522871583 /nfs/dbraw/zinc/87/15/83/522871583.db2.gz NUTUYEKTIZZHAW-FQEVSTJZSA-N 0 0 409.954 5.303 40 0 HKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000044839044 523040330 /nfs/dbraw/zinc/04/03/30/523040330.db2.gz NUTUYEKTIZZHAW-HXUWFJFHSA-N 0 0 409.954 5.303 40 0 HKABRN COc1cc(OC)cc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000044839424 522857747 /nfs/dbraw/zinc/85/77/47/522857747.db2.gz FVXZSDXKULZKTP-UHFFFAOYSA-N 0 0 417.505 5.485 40 0 HKABRN COc1ccccc1CCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000044839589 524402277 /nfs/dbraw/zinc/40/22/77/524402277.db2.gz PBTOCDUCAZQIIY-UHFFFAOYSA-N 0 0 421.562 5.229 40 0 HKABRN Cc1ccccc1[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 ZINC000044839870 525430452 /nfs/dbraw/zinc/43/04/52/525430452.db2.gz HTIIROKPVBVKSD-MUUNZHRXSA-N 0 0 405.541 6.300 40 0 HKABRN Cc1ccccc1[C@@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 ZINC000044839875 525372096 /nfs/dbraw/zinc/37/20/96/525372096.db2.gz HTIIROKPVBVKSD-NDEPHWFRSA-N 0 0 405.541 6.300 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000044839928 522918776 /nfs/dbraw/zinc/91/87/76/522918776.db2.gz HGODTOGYAUUFER-HNNXBMFYSA-N 0 0 408.272 6.522 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000044839933 523080156 /nfs/dbraw/zinc/08/01/56/523080156.db2.gz HGODTOGYAUUFER-OAHLLOKOSA-N 0 0 408.272 6.522 40 0 HKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000044839983 522884900 /nfs/dbraw/zinc/88/49/00/522884900.db2.gz PHAAZYJJJCJJAD-QHCPKHFHSA-N 0 0 405.563 6.392 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000044839988 523050453 /nfs/dbraw/zinc/05/04/53/523050453.db2.gz PHAAZYJJJCJJAD-HSZRJFAPSA-N 0 0 405.563 6.392 40 0 HKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(I)cc1C ZINC000044840182 522867842 /nfs/dbraw/zinc/86/78/42/522867842.db2.gz YRLAMNWNFPYPDF-KRWDZBQOSA-N 0 0 423.294 5.013 40 0 HKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(I)cc1C ZINC000044840187 523037808 /nfs/dbraw/zinc/03/78/08/523037808.db2.gz YRLAMNWNFPYPDF-QGZVFWFLSA-N 0 0 423.294 5.013 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1C ZINC000044840373 525240944 /nfs/dbraw/zinc/24/09/44/525240944.db2.gz BOTRILAURWREPI-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 ZINC000044840447 522889066 /nfs/dbraw/zinc/88/90/66/522889066.db2.gz XHGLJKIAFXYRSI-ZEQRLZLVSA-N 0 0 405.538 5.909 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 ZINC000044840452 523054115 /nfs/dbraw/zinc/05/41/15/523054115.db2.gz XHGLJKIAFXYRSI-BJKOFHAPSA-N 0 0 405.538 5.909 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 ZINC000044840457 522889916 /nfs/dbraw/zinc/88/99/16/522889916.db2.gz XHGLJKIAFXYRSI-RPWUZVMVSA-N 0 0 405.538 5.909 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 ZINC000044840462 523054134 /nfs/dbraw/zinc/05/41/34/523054134.db2.gz XHGLJKIAFXYRSI-DNQXCXABSA-N 0 0 405.538 5.909 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000044840951 525347525 /nfs/dbraw/zinc/34/75/25/525347525.db2.gz GYFXFWFVKADNBQ-UWJYYQICSA-N 0 0 403.950 5.636 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000044840956 525348025 /nfs/dbraw/zinc/34/80/25/525348025.db2.gz GYFXFWFVKADNBQ-UTKZUKDTSA-N 0 0 403.950 5.636 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000044840961 525175704 /nfs/dbraw/zinc/17/57/04/525175704.db2.gz GYFXFWFVKADNBQ-LAUBAEHRSA-N 0 0 403.950 5.636 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000044840966 525175788 /nfs/dbraw/zinc/17/57/88/525175788.db2.gz GYFXFWFVKADNBQ-DYESRHJHSA-N 0 0 403.950 5.636 40 0 HKABRN CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000044841454 522875024 /nfs/dbraw/zinc/87/50/24/522875024.db2.gz ZSBARKLKVXCXDC-SFHVURJKSA-N 0 0 416.345 5.340 40 0 HKABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000044841461 523041679 /nfs/dbraw/zinc/04/16/79/523041679.db2.gz ZSBARKLKVXCXDC-GOSISDBHSA-N 0 0 416.345 5.340 40 0 HKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000044841572 522884665 /nfs/dbraw/zinc/88/46/65/522884665.db2.gz IGHVXTOXTJKUPZ-SFHVURJKSA-N 0 0 416.345 5.340 40 0 HKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000044841577 523050626 /nfs/dbraw/zinc/05/06/26/523050626.db2.gz IGHVXTOXTJKUPZ-GOSISDBHSA-N 0 0 416.345 5.340 40 0 HKABRN Cc1ccccc1[C@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccccc1 ZINC000044841803 525424690 /nfs/dbraw/zinc/42/46/90/525424690.db2.gz HSSJVVJPFJSVHF-SQDLFYSFSA-N 0 0 403.525 6.441 40 0 HKABRN Cc1ccccc1[C@@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccccc1 ZINC000044841808 525369151 /nfs/dbraw/zinc/36/91/51/525369151.db2.gz HSSJVVJPFJSVHF-KYERJPCBSA-N 0 0 403.525 6.441 40 0 HKABRN Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000044842189 524773230 /nfs/dbraw/zinc/77/32/30/524773230.db2.gz DTCHKKAOZWZJKN-IBGZPJMESA-N 0 0 415.533 5.930 40 0 HKABRN Cc1cccc(O[C@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000044842195 524781743 /nfs/dbraw/zinc/78/17/43/524781743.db2.gz DTCHKKAOZWZJKN-LJQANCHMSA-N 0 0 415.533 5.930 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC ZINC000044842259 525107413 /nfs/dbraw/zinc/10/74/13/525107413.db2.gz RWOIAQBBMXJAKO-KRWDZBQOSA-N 0 0 423.534 5.402 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC ZINC000044842264 525112787 /nfs/dbraw/zinc/11/27/87/525112787.db2.gz RWOIAQBBMXJAKO-QGZVFWFLSA-N 0 0 423.534 5.402 40 0 HKABRN COc1cc2ccccc2cc1C(=O)NCCSCc1c(F)cccc1Cl ZINC000044842271 523062427 /nfs/dbraw/zinc/06/24/27/523062427.db2.gz XDDXMMBUTYRJTC-UHFFFAOYSA-N 0 0 403.906 5.304 40 0 HKABRN O=C(Nc1ccccc1C(F)(F)F)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000044842276 527411767 /nfs/dbraw/zinc/41/17/67/527411767.db2.gz UMAUUJVLERRBCR-UHFFFAOYSA-N 0 0 410.439 5.911 40 0 HKABRN O=C(Nc1ccc(N2CCCC2=O)cc1)N1c2ccccc2Sc2ccccc21 ZINC000044842361 527224490 /nfs/dbraw/zinc/22/44/90/527224490.db2.gz FIOZABLYJXBKJV-UHFFFAOYSA-N 0 0 401.491 5.648 40 0 HKABRN CCSc1ccccc1NC(=O)COc1ccc(Br)cc1Cl ZINC000044842396 521774237 /nfs/dbraw/zinc/77/42/37/521774237.db2.gz GSVYHUVEIPMUNN-UHFFFAOYSA-N 0 0 400.725 5.232 40 0 HKABRN Cc1cc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)ccc1Br ZINC000044842421 525246547 /nfs/dbraw/zinc/24/65/47/525246547.db2.gz CKOCPEPFOMJODH-UHFFFAOYSA-N 0 0 421.338 5.573 40 0 HKABRN Cc1ccccc1[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1 ZINC000044842932 525427728 /nfs/dbraw/zinc/42/77/28/525427728.db2.gz QDDIZEQXJZAAOU-HHHXNRCGSA-N 0 0 423.581 6.807 40 0 HKABRN Cc1ccccc1[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1 ZINC000044842937 525372715 /nfs/dbraw/zinc/37/27/15/525372715.db2.gz QDDIZEQXJZAAOU-MHZLTWQESA-N 0 0 423.581 6.807 40 0 HKABRN CCOc1ccc(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OCC ZINC000044844031 520940695 /nfs/dbraw/zinc/94/06/95/520940695.db2.gz QYQPLLSERCLDQG-UHFFFAOYSA-N 0 0 417.549 5.646 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000044844238 523062398 /nfs/dbraw/zinc/06/23/98/523062398.db2.gz DOWITFJZTVRXNW-UHFFFAOYSA-N 0 0 402.494 5.117 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000044844742 522920414 /nfs/dbraw/zinc/92/04/14/522920414.db2.gz HALJXWLYZCHTHS-HNNXBMFYSA-N 0 0 423.987 5.576 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000044844747 523082122 /nfs/dbraw/zinc/08/21/22/523082122.db2.gz HALJXWLYZCHTHS-OAHLLOKOSA-N 0 0 423.987 5.576 40 0 HKABRN CC(C)C[C@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccccc1 ZINC000044844806 519384988 /nfs/dbraw/zinc/38/49/88/519384988.db2.gz NAFKIMMLNPUCGR-FQEVSTJZSA-N 0 0 418.375 5.855 40 0 HKABRN CC(C)C[C@@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccccc1 ZINC000044844811 519239608 /nfs/dbraw/zinc/23/96/08/519239608.db2.gz NAFKIMMLNPUCGR-HXUWFJFHSA-N 0 0 418.375 5.855 40 0 HKABRN CCOc1ccccc1CNC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000044845985 521500124 /nfs/dbraw/zinc/50/01/24/521500124.db2.gz JFWAGOQBDRTACI-UHFFFAOYSA-N 0 0 407.535 5.186 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000044846261 521515559 /nfs/dbraw/zinc/51/55/59/521515559.db2.gz GRJFBGYYRZOKKO-UHFFFAOYSA-N 0 0 421.518 5.287 40 0 HKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000044846996 522867452 /nfs/dbraw/zinc/86/74/52/522867452.db2.gz OZUCDEOVRSABCL-QHCPKHFHSA-N 0 0 405.563 6.392 40 0 HKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000044847000 523038274 /nfs/dbraw/zinc/03/82/74/523038274.db2.gz OZUCDEOVRSABCL-HSZRJFAPSA-N 0 0 405.563 6.392 40 0 HKABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000044847226 522886207 /nfs/dbraw/zinc/88/62/07/522886207.db2.gz DAJNSSZPPCUQOR-NRFANRHFSA-N 0 0 411.885 5.937 40 0 HKABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000044847230 523052112 /nfs/dbraw/zinc/05/21/12/523052112.db2.gz DAJNSSZPPCUQOR-OAQYLSRUSA-N 0 0 411.885 5.937 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)c1ccc(OCCSc2ccccc2)cc1 ZINC000044847250 527345857 /nfs/dbraw/zinc/34/58/57/527345857.db2.gz YPLGEUKFESFQNM-UHFFFAOYSA-N 0 0 418.345 6.417 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c(Cl)c1 ZINC000044848003 521490380 /nfs/dbraw/zinc/49/03/80/521490380.db2.gz NQEXFUIKHWDYKF-UHFFFAOYSA-N 0 0 407.897 5.677 40 0 HKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000044848497 522883510 /nfs/dbraw/zinc/88/35/10/522883510.db2.gz WRYPPXXMWZJFRJ-DEOSSOPVSA-N 0 0 419.590 6.700 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000044848501 523050058 /nfs/dbraw/zinc/05/00/58/523050058.db2.gz WRYPPXXMWZJFRJ-XMMPIXPASA-N 0 0 419.590 6.700 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCc2ccc(-n3ccnc3C)cc2)c2ccccc2)cc1 ZINC000044848654 523380061 /nfs/dbraw/zinc/38/00/61/523380061.db2.gz JONADBRLNFWGCZ-NLRVBDNBSA-N 0 0 423.516 5.046 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2cc(C)ccc2C)sc2c1CCCC2 ZINC000044849268 521411105 /nfs/dbraw/zinc/41/11/05/521411105.db2.gz BDIRKXAOHSDJOB-KRWDZBQOSA-N 0 0 415.555 5.217 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)sc2c1CCCC2 ZINC000044849272 521411124 /nfs/dbraw/zinc/41/11/24/521411124.db2.gz BDIRKXAOHSDJOB-QGZVFWFLSA-N 0 0 415.555 5.217 40 0 HKABRN CCOc1ccc(CCC(=O)Nc2ccccc2Sc2ccccc2)cc1OCC ZINC000044849355 520944536 /nfs/dbraw/zinc/94/45/36/520944536.db2.gz HBAFMJWFFOASDV-UHFFFAOYSA-N 0 0 421.562 6.207 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1cccc(Cl)c1 ZINC000044849656 522877079 /nfs/dbraw/zinc/87/70/79/522877079.db2.gz KAYPXDJHVAAROM-QFIPXVFZSA-N 0 0 413.970 5.700 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1cccc(Cl)c1 ZINC000044849659 523046024 /nfs/dbraw/zinc/04/60/24/523046024.db2.gz KAYPXDJHVAAROM-JOCHJYFZSA-N 0 0 413.970 5.700 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000044849752 522918678 /nfs/dbraw/zinc/91/86/78/522918678.db2.gz IZJNEISGHPBMRL-FQEVSTJZSA-N 0 0 416.974 5.476 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000044849756 523081855 /nfs/dbraw/zinc/08/18/55/523081855.db2.gz IZJNEISGHPBMRL-HXUWFJFHSA-N 0 0 416.974 5.476 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000044850380 522878590 /nfs/dbraw/zinc/87/85/90/522878590.db2.gz XZSGDDNZNAGKJR-IBGZPJMESA-N 0 0 408.712 6.596 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000044850384 523046287 /nfs/dbraw/zinc/04/62/87/523046287.db2.gz XZSGDDNZNAGKJR-LJQANCHMSA-N 0 0 408.712 6.596 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1C ZINC000044856359 525690120 /nfs/dbraw/zinc/69/01/20/525690120.db2.gz STTLQWAZWZHENR-QGZVFWFLSA-N 0 0 419.396 5.700 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1C ZINC000044856360 525886695 /nfs/dbraw/zinc/88/66/95/525886695.db2.gz STTLQWAZWZHENR-KRWDZBQOSA-N 0 0 419.396 5.700 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC000044856361 525691630 /nfs/dbraw/zinc/69/16/30/525691630.db2.gz YSJVSHHVLCRZSE-QGZVFWFLSA-N 0 0 419.396 5.700 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC000044856362 525886211 /nfs/dbraw/zinc/88/62/11/525886211.db2.gz YSJVSHHVLCRZSE-KRWDZBQOSA-N 0 0 419.396 5.700 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1C ZINC000044856363 525690718 /nfs/dbraw/zinc/69/07/18/525690718.db2.gz IPCJBMAZHASMDU-QGZVFWFLSA-N 0 0 419.396 5.700 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1C ZINC000044856364 525887000 /nfs/dbraw/zinc/88/70/00/525887000.db2.gz IPCJBMAZHASMDU-KRWDZBQOSA-N 0 0 419.396 5.700 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1C ZINC000044856373 525691799 /nfs/dbraw/zinc/69/17/99/525691799.db2.gz DACORYALTVBINE-QGZVFWFLSA-N 0 0 402.941 5.185 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1C ZINC000044856374 525885961 /nfs/dbraw/zinc/88/59/61/525885961.db2.gz DACORYALTVBINE-KRWDZBQOSA-N 0 0 402.941 5.185 40 0 HKABRN CC[C@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(C)c(C)c1 ZINC000044856529 522364580 /nfs/dbraw/zinc/36/45/80/522364580.db2.gz WPSGNLHLEXWTMX-QHCPKHFHSA-N 0 0 416.968 5.575 40 0 HKABRN CC[C@@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(C)c(C)c1 ZINC000044856530 522669009 /nfs/dbraw/zinc/66/90/09/522669009.db2.gz WPSGNLHLEXWTMX-HSZRJFAPSA-N 0 0 416.968 5.575 40 0 HKABRN CC[C@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(C)cc1C ZINC000044856687 522364942 /nfs/dbraw/zinc/36/49/42/522364942.db2.gz DMYPHZDRAORKDS-QHCPKHFHSA-N 0 0 416.968 5.575 40 0 HKABRN CC[C@@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(C)cc1C ZINC000044856688 522669563 /nfs/dbraw/zinc/66/95/63/522669563.db2.gz DMYPHZDRAORKDS-HSZRJFAPSA-N 0 0 416.968 5.575 40 0 HKABRN Cc1cccc(CS(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000044880052 524455123 /nfs/dbraw/zinc/45/51/23/524455123.db2.gz MKDUMUZVAMMUIG-UHFFFAOYSA-N 0 0 421.562 5.465 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000044880341 525716028 /nfs/dbraw/zinc/71/60/28/525716028.db2.gz CPGSIZJTFMCZRT-GOSISDBHSA-N 0 0 409.982 6.740 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000044880343 525910517 /nfs/dbraw/zinc/91/05/17/525910517.db2.gz CPGSIZJTFMCZRT-SFHVURJKSA-N 0 0 409.982 6.740 40 0 HKABRN Cc1ccc([C@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2)cc1 ZINC000044880661 525970300 /nfs/dbraw/zinc/97/03/00/525970300.db2.gz UUYVUTHXSRMVHU-HXUWFJFHSA-N 0 0 406.334 5.370 40 0 HKABRN Cc1ccc([C@@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2)cc1 ZINC000044880664 525775616 /nfs/dbraw/zinc/77/56/16/525775616.db2.gz UUYVUTHXSRMVHU-FQEVSTJZSA-N 0 0 406.334 5.370 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000044880770 523062960 /nfs/dbraw/zinc/06/29/60/523062960.db2.gz ZEJOPBGJAYFLDZ-UHFFFAOYSA-N 0 0 424.500 5.073 40 0 HKABRN CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 ZINC000044880812 520686596 /nfs/dbraw/zinc/68/65/96/520686596.db2.gz YBMZHOBBTAQELZ-LJQANCHMSA-N 0 0 404.963 5.379 40 0 HKABRN CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Sc1ccc(Cl)cc1 ZINC000044880815 520687414 /nfs/dbraw/zinc/68/74/14/520687414.db2.gz YBMZHOBBTAQELZ-IBGZPJMESA-N 0 0 404.963 5.379 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000044880818 522885944 /nfs/dbraw/zinc/88/59/44/522885944.db2.gz FXPGNKPICYPCRR-QHCPKHFHSA-N 0 0 422.956 5.308 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000044880821 523055470 /nfs/dbraw/zinc/05/54/70/523055470.db2.gz FXPGNKPICYPCRR-HSZRJFAPSA-N 0 0 422.956 5.308 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)NCCCc1ccccc1Cl ZINC000044883192 527023702 /nfs/dbraw/zinc/02/37/02/527023702.db2.gz YPTGJNHTRCNOHA-UHFFFAOYSA-N 0 0 402.774 5.629 40 0 HKABRN CCCOc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000044883211 520338019 /nfs/dbraw/zinc/33/80/19/520338019.db2.gz GLARIHHUEAEJEH-UHFFFAOYSA-N 0 0 415.533 6.256 40 0 HKABRN Cc1cc(OCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc(C)c1Br ZINC000044883879 525362814 /nfs/dbraw/zinc/36/28/14/525362814.db2.gz PSJDOFXHSHHZPU-IBGZPJMESA-N 0 0 404.348 5.348 40 0 HKABRN Cc1cc(OCC(=O)N[C@H](CC(C)C)c2ccccc2)cc(C)c1Br ZINC000044883883 525363128 /nfs/dbraw/zinc/36/31/28/525363128.db2.gz PSJDOFXHSHHZPU-LJQANCHMSA-N 0 0 404.348 5.348 40 0 HKABRN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000044884034 527466308 /nfs/dbraw/zinc/46/63/08/527466308.db2.gz ALVCGFBBLBUVHG-UHFFFAOYSA-N 0 0 418.540 5.769 40 0 HKABRN CC[C@H](Oc1ccccc1C)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000044884596 522893662 /nfs/dbraw/zinc/89/36/62/522893662.db2.gz JOIRPYLBWKVAOQ-SFHVURJKSA-N 0 0 412.382 5.509 40 0 HKABRN CC[C@@H](Oc1ccccc1C)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000044884599 523058859 /nfs/dbraw/zinc/05/88/59/523058859.db2.gz JOIRPYLBWKVAOQ-GOSISDBHSA-N 0 0 412.382 5.509 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1Oc1ccccc1 ZINC000044884697 527023566 /nfs/dbraw/zinc/02/35/66/527023566.db2.gz WDPMTMRWYSZTTC-UHFFFAOYSA-N 0 0 418.345 6.658 40 0 HKABRN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(OCCSc2ccccc2)cc1 ZINC000044884776 526916099 /nfs/dbraw/zinc/91/60/99/526916099.db2.gz TUDBPWVQMFGBOR-XMMPIXPASA-N 0 0 403.547 5.665 40 0 HKABRN O=C(N[C@H]1CCCc2ccccc21)c1ccc(OCCSc2ccccc2)cc1 ZINC000044884779 527041275 /nfs/dbraw/zinc/04/12/75/527041275.db2.gz TUDBPWVQMFGBOR-DEOSSOPVSA-N 0 0 403.547 5.665 40 0 HKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000044884901 527332305 /nfs/dbraw/zinc/33/23/05/527332305.db2.gz JDSZTBHKUWDZHC-UHFFFAOYSA-N 0 0 410.439 5.911 40 0 HKABRN CC[C@H](Oc1ccccc1C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000044885170 522894693 /nfs/dbraw/zinc/89/46/93/522894693.db2.gz QLUPHPMSZUTSIA-SFHVURJKSA-N 0 0 412.382 5.509 40 0 HKABRN CC[C@@H](Oc1ccccc1C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000044885172 523058137 /nfs/dbraw/zinc/05/81/37/523058137.db2.gz QLUPHPMSZUTSIA-GOSISDBHSA-N 0 0 412.382 5.509 40 0 HKABRN CC(C)C[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000044885180 519391581 /nfs/dbraw/zinc/39/15/81/519391581.db2.gz RNPBKGSBZGRNES-DEOSSOPVSA-N 0 0 424.009 7.150 40 0 HKABRN CC(C)C[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000044885183 519246103 /nfs/dbraw/zinc/24/61/03/519246103.db2.gz RNPBKGSBZGRNES-XMMPIXPASA-N 0 0 424.009 7.150 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c(Br)c1 ZINC000044885215 519040449 /nfs/dbraw/zinc/04/04/49/519040449.db2.gz UQFMELJZPZANHU-LJQANCHMSA-N 0 0 416.359 5.319 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)c(Br)c1 ZINC000044885218 519040326 /nfs/dbraw/zinc/04/03/26/519040326.db2.gz UQFMELJZPZANHU-IBGZPJMESA-N 0 0 416.359 5.319 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000044885341 522918506 /nfs/dbraw/zinc/91/85/06/522918506.db2.gz KLTKSMLKHMTOTL-HNNXBMFYSA-N 0 0 419.171 6.265 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000044885344 523080429 /nfs/dbraw/zinc/08/04/29/523080429.db2.gz KLTKSMLKHMTOTL-OAHLLOKOSA-N 0 0 419.171 6.265 40 0 HKABRN CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1OCC ZINC000044885611 520993842 /nfs/dbraw/zinc/99/38/42/520993842.db2.gz OUNZFWJTVUCGSS-QFIPXVFZSA-N 0 0 407.510 5.111 40 0 HKABRN CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1OCC ZINC000044885614 520992797 /nfs/dbraw/zinc/99/27/97/520992797.db2.gz OUNZFWJTVUCGSS-JOCHJYFZSA-N 0 0 407.510 5.111 40 0 HKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)NCCSCc1c(F)cccc1Cl ZINC000044885761 519847881 /nfs/dbraw/zinc/84/78/81/519847881.db2.gz NRTWFVPCVKAOAN-HNNXBMFYSA-N 0 0 409.954 5.419 40 0 HKABRN CC(C)c1ccccc1O[C@H](C)C(=O)NCCSCc1c(F)cccc1Cl ZINC000044885764 519847731 /nfs/dbraw/zinc/84/77/31/519847731.db2.gz NRTWFVPCVKAOAN-OAHLLOKOSA-N 0 0 409.954 5.419 40 0 HKABRN CCSc1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000044886095 521776083 /nfs/dbraw/zinc/77/60/83/521776083.db2.gz BZPQLVDJDGYWDD-UHFFFAOYSA-N 0 0 422.388 5.876 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1 ZINC000044886329 525241274 /nfs/dbraw/zinc/24/12/74/525241274.db2.gz NPRWTALUTHBDGB-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000044886549 522894072 /nfs/dbraw/zinc/89/40/72/522894072.db2.gz IVYNWNCRDLEHPB-QHCPKHFHSA-N 0 0 407.485 5.187 40 0 HKABRN CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000044886552 523059350 /nfs/dbraw/zinc/05/93/50/523059350.db2.gz IVYNWNCRDLEHPB-HSZRJFAPSA-N 0 0 407.485 5.187 40 0 HKABRN CCOc1ccccc1CCCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000044886599 521471322 /nfs/dbraw/zinc/47/13/22/521471322.db2.gz BQUKSPAJSYMDAC-UHFFFAOYSA-N 0 0 414.549 5.011 40 0 HKABRN O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000044899706 526649093 /nfs/dbraw/zinc/64/90/93/526649093.db2.gz WDMFIQNILFSVDG-UHFFFAOYSA-N 0 0 417.896 5.035 40 0 HKABRN CC[C@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(C)cc1 ZINC000044899769 522389629 /nfs/dbraw/zinc/38/96/29/522389629.db2.gz RDQPIAJOPNAEJL-IBGZPJMESA-N 0 0 404.348 5.527 40 0 HKABRN CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(C)cc1 ZINC000044899770 522689986 /nfs/dbraw/zinc/68/99/86/522689986.db2.gz RDQPIAJOPNAEJL-LJQANCHMSA-N 0 0 404.348 5.527 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1C ZINC000044899776 521537866 /nfs/dbraw/zinc/53/78/66/521537866.db2.gz VXOICPRTNMFJCK-UHFFFAOYSA-N 0 0 412.338 5.350 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000044899824 522919051 /nfs/dbraw/zinc/91/90/51/522919051.db2.gz HBHGPMBJBTWJLN-SFHVURJKSA-N 0 0 404.963 5.378 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000044899825 523083004 /nfs/dbraw/zinc/08/30/04/523083004.db2.gz HBHGPMBJBTWJLN-GOSISDBHSA-N 0 0 404.963 5.378 40 0 HKABRN COc1ccc([C@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1OC ZINC000044899870 525301536 /nfs/dbraw/zinc/30/15/36/525301536.db2.gz CDSWCNPBFWUBHN-LBSLPOPVSA-N 0 0 421.924 5.775 40 0 HKABRN COc1ccc([C@@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1OC ZINC000044899871 525129656 /nfs/dbraw/zinc/12/96/56/525129656.db2.gz CDSWCNPBFWUBHN-WNSCPLKPSA-N 0 0 421.924 5.775 40 0 HKABRN Cc1cccc(O[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c1C ZINC000044899924 524770716 /nfs/dbraw/zinc/77/07/16/524770716.db2.gz QSYNJGOZWUKTHK-HNNXBMFYSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1cccc(O[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c1C ZINC000044899925 524778991 /nfs/dbraw/zinc/77/89/91/524778991.db2.gz QSYNJGOZWUKTHK-OAHLLOKOSA-N 0 0 412.382 5.427 40 0 HKABRN O=C(Nc1ccc(N2CCCC2=O)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000044900009 527224260 /nfs/dbraw/zinc/22/42/60/527224260.db2.gz RWNYAZINAAUGOY-OQKWZONESA-N 0 0 416.908 5.646 40 0 HKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1c(F)cccc1Cl ZINC000044900037 522867392 /nfs/dbraw/zinc/86/73/92/522867392.db2.gz WMBUIAAKYOMETE-IBGZPJMESA-N 0 0 409.954 5.303 40 0 HKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1c(F)cccc1Cl ZINC000044900038 523036542 /nfs/dbraw/zinc/03/65/42/523036542.db2.gz WMBUIAAKYOMETE-LJQANCHMSA-N 0 0 409.954 5.303 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000044900053 522877879 /nfs/dbraw/zinc/87/78/79/522877879.db2.gz IYJRJEDDLIAPHD-SVBPBHIXSA-N 0 0 409.529 6.211 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000044900054 523046148 /nfs/dbraw/zinc/04/61/48/523046148.db2.gz IYJRJEDDLIAPHD-SXOMAYOGSA-N 0 0 409.529 6.211 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000044900055 522877923 /nfs/dbraw/zinc/87/79/23/522877923.db2.gz IYJRJEDDLIAPHD-RRPNLBNLSA-N 0 0 409.529 6.211 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000044900056 523046962 /nfs/dbraw/zinc/04/69/62/523046962.db2.gz IYJRJEDDLIAPHD-KAYWLYCHSA-N 0 0 409.529 6.211 40 0 HKABRN CCSc1ccccc1NC(=O)COc1ccc(C(C)C)cc1Br ZINC000044900089 521775376 /nfs/dbraw/zinc/77/53/76/521775376.db2.gz IDSMZZNQLWHWGG-UHFFFAOYSA-N 0 0 408.361 5.702 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](c1ccccc1)c1ccccc1C ZINC000044900107 522877936 /nfs/dbraw/zinc/87/79/36/522877936.db2.gz WBFXLSMSJLXXRF-SVBPBHIXSA-N 0 0 409.529 6.211 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](c1ccccc1)c1ccccc1C ZINC000044900108 523046975 /nfs/dbraw/zinc/04/69/75/523046975.db2.gz WBFXLSMSJLXXRF-SXOMAYOGSA-N 0 0 409.529 6.211 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](c1ccccc1)c1ccccc1C ZINC000044900109 522877587 /nfs/dbraw/zinc/87/75/87/522877587.db2.gz WBFXLSMSJLXXRF-RRPNLBNLSA-N 0 0 409.529 6.211 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](c1ccccc1)c1ccccc1C ZINC000044900110 523046001 /nfs/dbraw/zinc/04/60/01/523046001.db2.gz WBFXLSMSJLXXRF-KAYWLYCHSA-N 0 0 409.529 6.211 40 0 HKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000044900143 522897350 /nfs/dbraw/zinc/89/73/50/522897350.db2.gz XSSOTKMEKKVMCE-NRFANRHFSA-N 0 0 422.912 5.066 40 0 HKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000044900144 523061710 /nfs/dbraw/zinc/06/17/10/523061710.db2.gz XSSOTKMEKKVMCE-OAQYLSRUSA-N 0 0 422.912 5.066 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2)cc1 ZINC000044900163 525662827 /nfs/dbraw/zinc/66/28/27/525662827.db2.gz CBEUJUXMKAYKDS-UHFFFAOYSA-N 0 0 405.563 6.005 40 0 HKABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000044900164 522885650 /nfs/dbraw/zinc/88/56/50/522885650.db2.gz GIGHBNXXHGQCRC-DEOSSOPVSA-N 0 0 421.562 6.092 40 0 HKABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000044900165 523051921 /nfs/dbraw/zinc/05/19/21/523051921.db2.gz GIGHBNXXHGQCRC-XMMPIXPASA-N 0 0 421.562 6.092 40 0 HKABRN C[C@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000044900454 525508138 /nfs/dbraw/zinc/50/81/38/525508138.db2.gz INTWFMHMDJLWDA-SFHVURJKSA-N 0 0 409.551 5.816 40 0 HKABRN C[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000044900457 525576537 /nfs/dbraw/zinc/57/65/37/525576537.db2.gz INTWFMHMDJLWDA-GOSISDBHSA-N 0 0 409.551 5.816 40 0 HKABRN O=C(NCCCc1ccc(Cl)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000044900485 526271619 /nfs/dbraw/zinc/27/16/19/526271619.db2.gz IDQRHKMLQJGULL-UHFFFAOYSA-N 0 0 418.968 5.655 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044900603 527182001 /nfs/dbraw/zinc/18/20/01/527182001.db2.gz ZTCNLRAYZBPCSP-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN COc1cc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c(OC)cc1Cl ZINC000044900644 522722010 /nfs/dbraw/zinc/72/20/10/522722010.db2.gz ISARIGFZDYNMOV-UHFFFAOYSA-N 0 0 422.912 5.172 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000044900769 522919488 /nfs/dbraw/zinc/91/94/88/522919488.db2.gz YEDSKANTUWYNPP-IBGZPJMESA-N 0 0 404.963 5.235 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000044900770 523081834 /nfs/dbraw/zinc/08/18/34/523081834.db2.gz YEDSKANTUWYNPP-LJQANCHMSA-N 0 0 404.963 5.235 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000044900860 525614488 /nfs/dbraw/zinc/61/44/88/525614488.db2.gz NDFNXHLCEMPSSU-UHFFFAOYSA-N 0 0 407.535 5.324 40 0 HKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000044901294 522871741 /nfs/dbraw/zinc/87/17/41/522871741.db2.gz XGVGLWYCMICMSL-DEOSSOPVSA-N 0 0 405.563 6.392 40 0 HKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000044901295 523039841 /nfs/dbraw/zinc/03/98/41/523039841.db2.gz XGVGLWYCMICMSL-XMMPIXPASA-N 0 0 405.563 6.392 40 0 HKABRN CC[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(C)cc1 ZINC000044901352 522536959 /nfs/dbraw/zinc/53/69/59/522536959.db2.gz BXXRPQXZMAEVOQ-DEOSSOPVSA-N 0 0 405.563 6.047 40 0 HKABRN CC[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(C)cc1 ZINC000044901354 522788414 /nfs/dbraw/zinc/78/84/14/522788414.db2.gz BXXRPQXZMAEVOQ-XMMPIXPASA-N 0 0 405.563 6.047 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)c(C)c1 ZINC000044901421 525718863 /nfs/dbraw/zinc/71/88/63/525718863.db2.gz FZJQLGVNVVWOIO-HXUWFJFHSA-N 0 0 405.563 5.966 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)c(C)c1 ZINC000044901423 525912060 /nfs/dbraw/zinc/91/20/60/525912060.db2.gz FZJQLGVNVVWOIO-FQEVSTJZSA-N 0 0 405.563 5.966 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1Cl ZINC000044901501 521517061 /nfs/dbraw/zinc/51/70/61/521517061.db2.gz VEDWULXGVYYDET-UHFFFAOYSA-N 0 0 409.869 5.348 40 0 HKABRN CCc1ccccc1O[C@@H](C)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000044901654 521922565 /nfs/dbraw/zinc/92/25/65/521922565.db2.gz FXSPGGFYUUVYPP-AWEZNQCLSA-N 0 0 412.382 5.373 40 0 HKABRN CCc1ccccc1O[C@H](C)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000044901656 521924203 /nfs/dbraw/zinc/92/42/03/521924203.db2.gz FXSPGGFYUUVYPP-CQSZACIVSA-N 0 0 412.382 5.373 40 0 HKABRN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000044902201 525085401 /nfs/dbraw/zinc/08/54/01/525085401.db2.gz YGLTWFBZVHLJOD-UHFFFAOYSA-N 0 0 423.534 5.025 40 0 HKABRN CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000044902221 522874415 /nfs/dbraw/zinc/87/44/15/522874415.db2.gz JYPQYJWTLJNAKQ-SFHVURJKSA-N 0 0 416.345 5.340 40 0 HKABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000044902223 523042370 /nfs/dbraw/zinc/04/23/70/523042370.db2.gz JYPQYJWTLJNAKQ-GOSISDBHSA-N 0 0 416.345 5.340 40 0 HKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000044902635 522867408 /nfs/dbraw/zinc/86/74/08/522867408.db2.gz IVKLGIRDEKXZFD-BTUURDQESA-N 0 0 417.593 6.567 40 0 HKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000044902638 558836002 /nfs/dbraw/zinc/83/60/02/558836002.db2.gz IVKLGIRDEKXZFD-AEYMSQMJSA-N 0 0 417.593 6.567 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000044902657 558836043 /nfs/dbraw/zinc/83/60/43/558836043.db2.gz LNUQUUKTPGWOLU-IBGZPJMESA-N 0 0 402.947 5.085 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000044902659 558836014 /nfs/dbraw/zinc/83/60/14/558836014.db2.gz LNUQUUKTPGWOLU-LJQANCHMSA-N 0 0 402.947 5.085 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OC ZINC000044902711 558836067 /nfs/dbraw/zinc/83/60/67/558836067.db2.gz UCFIANDHXROBTR-VIFPVBQESA-N 0 0 420.745 5.783 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OC ZINC000044902715 558836036 /nfs/dbraw/zinc/83/60/36/558836036.db2.gz UCFIANDHXROBTR-SECBINFHSA-N 0 0 420.745 5.783 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2cccc(C)c2C)sc2c1CCCC2 ZINC000044902925 558836051 /nfs/dbraw/zinc/83/60/51/558836051.db2.gz NNJHMUORUFLJOV-KRWDZBQOSA-N 0 0 415.555 5.217 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2cccc(C)c2C)sc2c1CCCC2 ZINC000044902928 558836059 /nfs/dbraw/zinc/83/60/59/558836059.db2.gz NNJHMUORUFLJOV-QGZVFWFLSA-N 0 0 415.555 5.217 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1OCC ZINC000044902941 521256139 /nfs/dbraw/zinc/25/61/39/521256139.db2.gz ZIHJHEMZQLCNHY-MBSDFSHPSA-N 0 0 421.537 5.672 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1OCC ZINC000044902943 521254608 /nfs/dbraw/zinc/25/46/08/521254608.db2.gz ZIHJHEMZQLCNHY-FDDCHVKYSA-N 0 0 421.537 5.672 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1OCC ZINC000044902946 521221519 /nfs/dbraw/zinc/22/15/19/521221519.db2.gz ZIHJHEMZQLCNHY-JPYJTQIMSA-N 0 0 421.537 5.672 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1OCC ZINC000044902949 521219990 /nfs/dbraw/zinc/21/99/90/521219990.db2.gz ZIHJHEMZQLCNHY-WZONZLPQSA-N 0 0 421.537 5.672 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000044903031 523061859 /nfs/dbraw/zinc/06/18/59/523061859.db2.gz YRVMTVZFKHWDQU-UHFFFAOYSA-N 0 0 403.865 6.546 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)N[C@@H](CC(C)C)c3ccccc3)cc2)cc1 ZINC000044903273 525662487 /nfs/dbraw/zinc/66/24/87/525662487.db2.gz DCOYMGDBNSFRSO-VWLOTQADSA-N 0 0 403.591 6.805 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)N[C@H](CC(C)C)c3ccccc3)cc2)cc1 ZINC000044903276 525662197 /nfs/dbraw/zinc/66/21/97/525662197.db2.gz DCOYMGDBNSFRSO-RUZDIDTESA-N 0 0 403.591 6.805 40 0 HKABRN Cc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)ccc1Br ZINC000044903355 525287230 /nfs/dbraw/zinc/28/72/30/525287230.db2.gz FRSPBTBYTJPWGN-UHFFFAOYSA-N 0 0 418.312 5.351 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(Br)cc1 ZINC000044903379 527022849 /nfs/dbraw/zinc/02/28/49/527022849.db2.gz UAVIYCOGLUCTMG-UHFFFAOYSA-N 0 0 405.144 5.628 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC000044903574 522885901 /nfs/dbraw/zinc/88/59/01/522885901.db2.gz CFHPEAOGVDBBGK-NRFANRHFSA-N 0 0 407.510 5.109 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC000044903576 523054063 /nfs/dbraw/zinc/05/40/63/523054063.db2.gz CFHPEAOGVDBBGK-OAQYLSRUSA-N 0 0 407.510 5.109 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000044903764 522918805 /nfs/dbraw/zinc/91/88/05/522918805.db2.gz UANDALOXVGMUTA-OUZREKFBSA-N 0 0 415.002 5.068 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000044903767 523079783 /nfs/dbraw/zinc/07/97/83/523079783.db2.gz UANDALOXVGMUTA-MECCDNJOSA-N 0 0 415.002 5.068 40 0 HKABRN CC(C)C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000044904062 519392523 /nfs/dbraw/zinc/39/25/23/519392523.db2.gz DEMJVPYJJYKUIS-QHCPKHFHSA-N 0 0 422.550 5.005 40 0 HKABRN CC(C)C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000044904065 519246555 /nfs/dbraw/zinc/24/65/55/519246555.db2.gz DEMJVPYJJYKUIS-HSZRJFAPSA-N 0 0 422.550 5.005 40 0 HKABRN Cc1cccc(N2CCN(C(=O)CSCc3ccc(Cl)c(Cl)c3)CC2)c1C ZINC000044904388 524545227 /nfs/dbraw/zinc/54/52/27/524545227.db2.gz XLJUCLKHGQVGFR-UHFFFAOYSA-N 0 0 423.409 5.192 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000044904501 522888941 /nfs/dbraw/zinc/88/89/41/522888941.db2.gz LBEZGACRVIEBMH-SFHVURJKSA-N 0 0 418.718 6.052 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000044904503 523055646 /nfs/dbraw/zinc/05/56/46/523055646.db2.gz LBEZGACRVIEBMH-GOSISDBHSA-N 0 0 418.718 6.052 40 0 HKABRN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000044904697 527386711 /nfs/dbraw/zinc/38/67/11/527386711.db2.gz SZUJMMUGCGCNFQ-UHFFFAOYSA-N 0 0 413.546 5.403 40 0 HKABRN O=C(NCCSC1CCCCC1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000044904726 526370651 /nfs/dbraw/zinc/37/06/51/526370651.db2.gz VYERIXBBUFPVJV-UHFFFAOYSA-N 0 0 408.611 5.435 40 0 HKABRN COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000044904738 525350418 /nfs/dbraw/zinc/35/04/18/525350418.db2.gz WBDUVHWAVIBKKR-KRWDZBQOSA-N 0 0 402.343 5.068 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000044904740 525177539 /nfs/dbraw/zinc/17/75/39/525177539.db2.gz WBDUVHWAVIBKKR-QGZVFWFLSA-N 0 0 402.343 5.068 40 0 HKABRN CCOc1ccccc1CCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000044904975 521471288 /nfs/dbraw/zinc/47/12/88/521471288.db2.gz ZWXGILPOZOURQX-UHFFFAOYSA-N 0 0 412.382 5.374 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)CCc2ccc(OCC)c(OCC)c2)cc1 ZINC000044905068 520722720 /nfs/dbraw/zinc/72/27/20/520722720.db2.gz CALQGADZURFTCF-UHFFFAOYSA-N 0 0 413.514 5.012 40 0 HKABRN CC[C@H](Oc1ccccc1C)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000044905124 522893916 /nfs/dbraw/zinc/89/39/16/522893916.db2.gz FLKIHKIICJIJCW-SFHVURJKSA-N 0 0 412.382 5.509 40 0 HKABRN CC[C@@H](Oc1ccccc1C)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000044905126 523059257 /nfs/dbraw/zinc/05/92/57/523059257.db2.gz FLKIHKIICJIJCW-GOSISDBHSA-N 0 0 412.382 5.509 40 0 HKABRN Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000044905830 524202743 /nfs/dbraw/zinc/20/27/43/524202743.db2.gz USLWULMKJMQILI-QGZVFWFLSA-N 0 0 419.396 5.700 40 0 HKABRN Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000044905832 524208194 /nfs/dbraw/zinc/20/81/94/524208194.db2.gz USLWULMKJMQILI-KRWDZBQOSA-N 0 0 419.396 5.700 40 0 HKABRN Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000044905834 524201777 /nfs/dbraw/zinc/20/17/77/524201777.db2.gz PEVCKHKBDBVFAB-QGZVFWFLSA-N 0 0 419.396 5.700 40 0 HKABRN Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000044905836 524208675 /nfs/dbraw/zinc/20/86/75/524208675.db2.gz PEVCKHKBDBVFAB-KRWDZBQOSA-N 0 0 419.396 5.700 40 0 HKABRN Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000044905838 524202680 /nfs/dbraw/zinc/20/26/80/524202680.db2.gz IZGMVUPXYVBPSZ-QGZVFWFLSA-N 0 0 419.396 5.700 40 0 HKABRN Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000044905840 524208494 /nfs/dbraw/zinc/20/84/94/524208494.db2.gz IZGMVUPXYVBPSZ-KRWDZBQOSA-N 0 0 419.396 5.700 40 0 HKABRN O=C(NCCCc1ccc(F)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000044906515 526271815 /nfs/dbraw/zinc/27/18/15/526271815.db2.gz SCLQPZHOXLZROF-UHFFFAOYSA-N 0 0 423.359 5.094 40 0 HKABRN O=C(NCCCc1ccc(F)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044906517 526272666 /nfs/dbraw/zinc/27/26/66/526272666.db2.gz MHVKFDRMMRNVGF-UHFFFAOYSA-N 0 0 423.359 5.094 40 0 HKABRN O=C(NCCCc1ccc(F)cc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000044906519 526271509 /nfs/dbraw/zinc/27/15/09/526271509.db2.gz IBBVSWJOKURDLP-UHFFFAOYSA-N 0 0 423.359 5.094 40 0 HKABRN Cc1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044909470 524320158 /nfs/dbraw/zinc/32/01/58/524320158.db2.gz PZZBUOVNECGTHZ-UHFFFAOYSA-N 0 0 419.396 5.263 40 0 HKABRN Cc1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044909474 524318223 /nfs/dbraw/zinc/31/82/23/524318223.db2.gz CCNJZBKCIKRNHU-UHFFFAOYSA-N 0 0 419.396 5.263 40 0 HKABRN Cc1ccc(CCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044909478 524320410 /nfs/dbraw/zinc/32/04/10/524320410.db2.gz SUNJGUYIYIJHNF-UHFFFAOYSA-N 0 0 419.396 5.263 40 0 HKABRN Cc1cccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000044909702 524349441 /nfs/dbraw/zinc/34/94/41/524349441.db2.gz DWYNXHAGZPWPGC-UHFFFAOYSA-N 0 0 419.396 5.263 40 0 HKABRN Cc1cccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000044909707 524349784 /nfs/dbraw/zinc/34/97/84/524349784.db2.gz PERCYVDVTWEPRS-UHFFFAOYSA-N 0 0 419.396 5.263 40 0 HKABRN Cc1cccc(CCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000044909711 524349921 /nfs/dbraw/zinc/34/99/21/524349921.db2.gz WYCFBTBVZMNNFQ-UHFFFAOYSA-N 0 0 419.396 5.263 40 0 HKABRN CCOc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000044911263 521385944 /nfs/dbraw/zinc/38/59/44/521385944.db2.gz PABIZFVPCZVAST-UHFFFAOYSA-N 0 0 407.341 5.243 40 0 HKABRN CCOc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000044911268 521386029 /nfs/dbraw/zinc/38/60/29/521386029.db2.gz FQRYAIXZQRECRK-UHFFFAOYSA-N 0 0 407.341 5.243 40 0 HKABRN CCOc1cccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000044911271 521387286 /nfs/dbraw/zinc/38/72/86/521387286.db2.gz ZKXTZPKUFAWWHZ-UHFFFAOYSA-N 0 0 407.341 5.243 40 0 HKABRN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000044912836 525530111 /nfs/dbraw/zinc/53/01/11/525530111.db2.gz QMWXSOSOKCEUMB-CRAIPNDOSA-N 0 0 403.353 5.183 40 0 HKABRN C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000044912840 524989997 /nfs/dbraw/zinc/98/99/97/524989997.db2.gz QMWXSOSOKCEUMB-MAUKXSAKSA-N 0 0 403.353 5.183 40 0 HKABRN C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000044912844 569352104 /nfs/dbraw/zinc/35/21/04/569352104.db2.gz QMWXSOSOKCEUMB-QAPCUYQASA-N 0 0 403.353 5.183 40 0 HKABRN C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000044912848 569352053 /nfs/dbraw/zinc/35/20/53/569352053.db2.gz QMWXSOSOKCEUMB-YJBOKZPZSA-N 0 0 403.353 5.183 40 0 HKABRN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000044912868 525530401 /nfs/dbraw/zinc/53/04/01/525530401.db2.gz VOLCIMHLHDFNCF-NVXWUHKLSA-N 0 0 403.353 5.183 40 0 HKABRN C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000044912872 524991281 /nfs/dbraw/zinc/99/12/81/524991281.db2.gz VOLCIMHLHDFNCF-DOTOQJQBSA-N 0 0 403.353 5.183 40 0 HKABRN C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000044912876 569352048 /nfs/dbraw/zinc/35/20/48/569352048.db2.gz VOLCIMHLHDFNCF-WBVHZDCISA-N 0 0 403.353 5.183 40 0 HKABRN C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000044912880 569352074 /nfs/dbraw/zinc/35/20/74/569352074.db2.gz VOLCIMHLHDFNCF-RDJZCZTQSA-N 0 0 403.353 5.183 40 0 HKABRN O=C(N[C@H]1CCCc2ccccc21)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000044933009 527039870 /nfs/dbraw/zinc/03/98/70/527039870.db2.gz VODWLZTYGVZDKE-QFIPXVFZSA-N 0 0 417.380 5.399 40 0 HKABRN O=C(N[C@@H]1CCCc2ccccc21)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000044933011 526914064 /nfs/dbraw/zinc/91/40/64/526914064.db2.gz VODWLZTYGVZDKE-JOCHJYFZSA-N 0 0 417.380 5.399 40 0 HKABRN O=C(N[C@H]1CCCc2ccccc21)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044933013 527040648 /nfs/dbraw/zinc/04/06/48/527040648.db2.gz ITHJCTAIEGRMQM-QFIPXVFZSA-N 0 0 417.380 5.399 40 0 HKABRN O=C(N[C@@H]1CCCc2ccccc21)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044933015 526914301 /nfs/dbraw/zinc/91/43/01/526914301.db2.gz ITHJCTAIEGRMQM-JOCHJYFZSA-N 0 0 417.380 5.399 40 0 HKABRN O=C(N[C@H]1CCCc2ccccc21)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000044933017 527040016 /nfs/dbraw/zinc/04/00/16/527040016.db2.gz INTGVYHNXJYILR-QFIPXVFZSA-N 0 0 417.380 5.399 40 0 HKABRN O=C(N[C@@H]1CCCc2ccccc21)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000044933019 526914430 /nfs/dbraw/zinc/91/44/30/526914430.db2.gz INTGVYHNXJYILR-JOCHJYFZSA-N 0 0 417.380 5.399 40 0 HKABRN COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000044933151 525311568 /nfs/dbraw/zinc/31/15/68/525311568.db2.gz WPSDYLYZVFCUGS-MAUKXSAKSA-N 0 0 421.368 5.091 40 0 HKABRN COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000044933153 525139035 /nfs/dbraw/zinc/13/90/35/525139035.db2.gz WPSDYLYZVFCUGS-CRAIPNDOSA-N 0 0 421.368 5.091 40 0 HKABRN COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000044933155 569352097 /nfs/dbraw/zinc/35/20/97/569352097.db2.gz WPSDYLYZVFCUGS-YJBOKZPZSA-N 0 0 421.368 5.091 40 0 HKABRN COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000044933157 569352029 /nfs/dbraw/zinc/35/20/29/569352029.db2.gz WPSDYLYZVFCUGS-QAPCUYQASA-N 0 0 421.368 5.091 40 0 HKABRN COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000044933167 525311630 /nfs/dbraw/zinc/31/16/30/525311630.db2.gz MYTWDVLCZPIJSW-DOTOQJQBSA-N 0 0 421.368 5.091 40 0 HKABRN COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000044933169 525138767 /nfs/dbraw/zinc/13/87/67/525138767.db2.gz MYTWDVLCZPIJSW-NVXWUHKLSA-N 0 0 421.368 5.091 40 0 HKABRN COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000044933171 569352114 /nfs/dbraw/zinc/35/21/14/569352114.db2.gz MYTWDVLCZPIJSW-RDJZCZTQSA-N 0 0 421.368 5.091 40 0 HKABRN COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000044933173 569352057 /nfs/dbraw/zinc/35/20/57/569352057.db2.gz MYTWDVLCZPIJSW-WBVHZDCISA-N 0 0 421.368 5.091 40 0 HKABRN COc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044933215 525301879 /nfs/dbraw/zinc/30/18/79/525301879.db2.gz SXZKXDFBHYQWDL-HNNXBMFYSA-N 0 0 421.368 5.091 40 0 HKABRN COc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044933217 525130723 /nfs/dbraw/zinc/13/07/23/525130723.db2.gz SXZKXDFBHYQWDL-OAHLLOKOSA-N 0 0 421.368 5.091 40 0 HKABRN COc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044933219 525301749 /nfs/dbraw/zinc/30/17/49/525301749.db2.gz VSOUPEQPYGRXSH-HNNXBMFYSA-N 0 0 421.368 5.091 40 0 HKABRN COc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044933221 525131588 /nfs/dbraw/zinc/13/15/88/525131588.db2.gz VSOUPEQPYGRXSH-OAHLLOKOSA-N 0 0 421.368 5.091 40 0 HKABRN COc1ccc([C@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044933223 525302434 /nfs/dbraw/zinc/30/24/34/525302434.db2.gz BBISUUXIACKNNK-HNNXBMFYSA-N 0 0 421.368 5.091 40 0 HKABRN COc1ccc([C@@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044933225 525131980 /nfs/dbraw/zinc/13/19/80/525131980.db2.gz BBISUUXIACKNNK-OAHLLOKOSA-N 0 0 421.368 5.091 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044933473 525691416 /nfs/dbraw/zinc/69/14/16/525691416.db2.gz IENGWRYSHIUWHY-MRXNPFEDSA-N 0 0 405.369 5.391 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044933475 525886140 /nfs/dbraw/zinc/88/61/40/525886140.db2.gz IENGWRYSHIUWHY-INIZCTEOSA-N 0 0 405.369 5.391 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044933477 525690892 /nfs/dbraw/zinc/69/08/92/525690892.db2.gz JVMXBSDBIANLDI-MRXNPFEDSA-N 0 0 405.369 5.391 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044933479 525885944 /nfs/dbraw/zinc/88/59/44/525885944.db2.gz JVMXBSDBIANLDI-INIZCTEOSA-N 0 0 405.369 5.391 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044933481 525690563 /nfs/dbraw/zinc/69/05/63/525690563.db2.gz RVAJBFAJPVFQAP-MRXNPFEDSA-N 0 0 405.369 5.391 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044933483 525885926 /nfs/dbraw/zinc/88/59/26/525885926.db2.gz RVAJBFAJPVFQAP-INIZCTEOSA-N 0 0 405.369 5.391 40 0 HKABRN C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000044934025 525137855 /nfs/dbraw/zinc/13/78/55/525137855.db2.gz AREAQPWKKBKVBK-WMLDXEAASA-N 0 0 409.332 5.222 40 0 HKABRN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000044934028 525266954 /nfs/dbraw/zinc/26/69/54/525266954.db2.gz AREAQPWKKBKVBK-RHSMWYFYSA-N 0 0 409.332 5.222 40 0 HKABRN C[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000044934031 560861596 /nfs/dbraw/zinc/86/15/96/560861596.db2.gz AREAQPWKKBKVBK-YOEHRIQHSA-N 0 0 409.332 5.222 40 0 HKABRN C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000044934033 560861581 /nfs/dbraw/zinc/86/15/81/560861581.db2.gz AREAQPWKKBKVBK-PBHICJAKSA-N 0 0 409.332 5.222 40 0 HKABRN C[C@H](NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1 ZINC000044934048 525137724 /nfs/dbraw/zinc/13/77/24/525137724.db2.gz HKPLWVPMWGAJEO-GOEBONIOSA-N 0 0 409.332 5.222 40 0 HKABRN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1 ZINC000044934050 525267822 /nfs/dbraw/zinc/26/78/22/525267822.db2.gz HKPLWVPMWGAJEO-GDBMZVCRSA-N 0 0 409.332 5.222 40 0 HKABRN C[C@H](NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1 ZINC000044934053 560861623 /nfs/dbraw/zinc/86/16/23/560861623.db2.gz HKPLWVPMWGAJEO-HOCLYGCPSA-N 0 0 409.332 5.222 40 0 HKABRN C[C@@H](NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1 ZINC000044934056 560861617 /nfs/dbraw/zinc/86/16/17/560861617.db2.gz HKPLWVPMWGAJEO-ZBFHGGJFSA-N 0 0 409.332 5.222 40 0 HKABRN C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(F)cc1 ZINC000044934157 524911370 /nfs/dbraw/zinc/91/13/70/524911370.db2.gz BCRKPNAJIZGMFA-AWEZNQCLSA-N 0 0 409.332 5.222 40 0 HKABRN C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(F)cc1 ZINC000044934160 525069660 /nfs/dbraw/zinc/06/96/60/525069660.db2.gz BCRKPNAJIZGMFA-CQSZACIVSA-N 0 0 409.332 5.222 40 0 HKABRN C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1 ZINC000044934163 524910848 /nfs/dbraw/zinc/91/08/48/524910848.db2.gz MCXRZRORBMVINZ-AWEZNQCLSA-N 0 0 409.332 5.222 40 0 HKABRN C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1 ZINC000044934166 525068999 /nfs/dbraw/zinc/06/89/99/525068999.db2.gz MCXRZRORBMVINZ-CQSZACIVSA-N 0 0 409.332 5.222 40 0 HKABRN C[C@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(F)cc1 ZINC000044934169 524911886 /nfs/dbraw/zinc/91/18/86/524911886.db2.gz FTFIHCMGVHOQQW-AWEZNQCLSA-N 0 0 409.332 5.222 40 0 HKABRN C[C@@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(F)cc1 ZINC000044934172 525069708 /nfs/dbraw/zinc/06/97/08/525069708.db2.gz FTFIHCMGVHOQQW-CQSZACIVSA-N 0 0 409.332 5.222 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(C)c1 ZINC000044934914 525690288 /nfs/dbraw/zinc/69/02/88/525690288.db2.gz RGUJFYVXHRKRJL-QGZVFWFLSA-N 0 0 419.396 5.700 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(C)c1 ZINC000044934917 525886746 /nfs/dbraw/zinc/88/67/46/525886746.db2.gz RGUJFYVXHRKRJL-KRWDZBQOSA-N 0 0 419.396 5.700 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1 ZINC000044934919 525691851 /nfs/dbraw/zinc/69/18/51/525691851.db2.gz QFIWUUZNNDOWIX-QGZVFWFLSA-N 0 0 419.396 5.700 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1 ZINC000044934922 525885889 /nfs/dbraw/zinc/88/58/89/525885889.db2.gz QFIWUUZNNDOWIX-KRWDZBQOSA-N 0 0 419.396 5.700 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c(C)c1 ZINC000044934925 525690219 /nfs/dbraw/zinc/69/02/19/525690219.db2.gz PGUIPJVMSGDVLA-QGZVFWFLSA-N 0 0 419.396 5.700 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c(C)c1 ZINC000044934928 525886871 /nfs/dbraw/zinc/88/68/71/525886871.db2.gz PGUIPJVMSGDVLA-KRWDZBQOSA-N 0 0 419.396 5.700 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c(C)c1 ZINC000044934955 525691745 /nfs/dbraw/zinc/69/17/45/525691745.db2.gz YJJTXJIECFNJQR-QGZVFWFLSA-N 0 0 402.941 5.185 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c(C)c1 ZINC000044934958 525885689 /nfs/dbraw/zinc/88/56/89/525885689.db2.gz YJJTXJIECFNJQR-KRWDZBQOSA-N 0 0 402.941 5.185 40 0 HKABRN CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C)cc1 ZINC000044935763 522366391 /nfs/dbraw/zinc/36/63/91/522366391.db2.gz WYARVXSLYMVORB-QFIPXVFZSA-N 0 0 419.396 5.781 40 0 HKABRN CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C)cc1 ZINC000044935766 522668021 /nfs/dbraw/zinc/66/80/21/522668021.db2.gz WYARVXSLYMVORB-JOCHJYFZSA-N 0 0 419.396 5.781 40 0 HKABRN CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C)cc1 ZINC000044935769 522365471 /nfs/dbraw/zinc/36/54/71/522365471.db2.gz CAVPRYSGQLAESK-QFIPXVFZSA-N 0 0 419.396 5.781 40 0 HKABRN CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C)cc1 ZINC000044935772 522668653 /nfs/dbraw/zinc/66/86/53/522668653.db2.gz CAVPRYSGQLAESK-JOCHJYFZSA-N 0 0 419.396 5.781 40 0 HKABRN CC[C@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(C)cc1 ZINC000044935775 522365713 /nfs/dbraw/zinc/36/57/13/522365713.db2.gz VRXNIKQEBQRREJ-QFIPXVFZSA-N 0 0 419.396 5.781 40 0 HKABRN CC[C@@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(C)cc1 ZINC000044935778 522669313 /nfs/dbraw/zinc/66/93/13/522669313.db2.gz VRXNIKQEBQRREJ-JOCHJYFZSA-N 0 0 419.396 5.781 40 0 HKABRN CC[C@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(C)cc1 ZINC000044935803 522365741 /nfs/dbraw/zinc/36/57/41/522365741.db2.gz GXBAMUMPAOMHGN-QFIPXVFZSA-N 0 0 402.941 5.267 40 0 HKABRN CC[C@@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(C)cc1 ZINC000044935806 522669442 /nfs/dbraw/zinc/66/94/42/522669442.db2.gz GXBAMUMPAOMHGN-JOCHJYFZSA-N 0 0 402.941 5.267 40 0 HKABRN CC(C)C[C@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccccc1 ZINC000044936906 519381922 /nfs/dbraw/zinc/38/19/22/519381922.db2.gz GBGLIOGULUAOMU-QHCPKHFHSA-N 0 0 416.968 5.595 40 0 HKABRN CC(C)C[C@@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccccc1 ZINC000044936908 519237971 /nfs/dbraw/zinc/23/79/71/519237971.db2.gz GBGLIOGULUAOMU-HSZRJFAPSA-N 0 0 416.968 5.595 40 0 HKABRN CCSc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000044938624 521773398 /nfs/dbraw/zinc/77/33/98/521773398.db2.gz QNVCEGCIHBQYBK-UHFFFAOYSA-N 0 0 423.409 5.956 40 0 HKABRN CCSc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044938628 521771513 /nfs/dbraw/zinc/77/15/13/521771513.db2.gz PGIHRHMFKADLCF-UHFFFAOYSA-N 0 0 423.409 5.956 40 0 HKABRN CCSc1ccccc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000044938632 521773142 /nfs/dbraw/zinc/77/31/42/521773142.db2.gz JIDUQADRTUEYAW-UHFFFAOYSA-N 0 0 423.409 5.956 40 0 HKABRN CCSc1ccccc1NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000044938651 521771477 /nfs/dbraw/zinc/77/14/77/521771477.db2.gz UEOZXMVLSNGTTQ-UHFFFAOYSA-N 0 0 406.954 5.442 40 0 HKABRN CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000044945688 522880857 /nfs/dbraw/zinc/88/08/57/522880857.db2.gz NDGCIMMMXQOZLM-DEOSSOPVSA-N 0 0 407.485 5.187 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000044945693 523048019 /nfs/dbraw/zinc/04/80/19/523048019.db2.gz NDGCIMMMXQOZLM-XMMPIXPASA-N 0 0 407.485 5.187 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)c(Cl)c1 ZINC000044945703 521511276 /nfs/dbraw/zinc/51/12/76/521511276.db2.gz SSWYVJPOBMRHPF-KRWDZBQOSA-N 0 0 412.338 5.680 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)c(Cl)c1 ZINC000044945707 521508619 /nfs/dbraw/zinc/50/86/19/521508619.db2.gz SSWYVJPOBMRHPF-QGZVFWFLSA-N 0 0 412.338 5.680 40 0 HKABRN O=C(Nc1cccc(Br)c1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000044946591 527324638 /nfs/dbraw/zinc/32/46/38/527324638.db2.gz KCCFIRQDDVENSZ-UHFFFAOYSA-N 0 0 421.338 5.654 40 0 HKABRN Cc1ccccc1[C@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1 ZINC000044947446 525426328 /nfs/dbraw/zinc/42/63/28/525426328.db2.gz LEXKTXGBJYZQKK-JOCHJYFZSA-N 0 0 410.311 5.042 40 0 HKABRN Cc1ccccc1[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1 ZINC000044947450 525367871 /nfs/dbraw/zinc/36/78/71/525367871.db2.gz LEXKTXGBJYZQKK-QFIPXVFZSA-N 0 0 410.311 5.042 40 0 HKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 ZINC000044947753 522221834 /nfs/dbraw/zinc/22/18/34/522221834.db2.gz OIXGOOZNWDROAF-UZUQRXQVSA-N 0 0 404.510 5.164 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)CC ZINC000044947758 523045599 /nfs/dbraw/zinc/04/55/99/523045599.db2.gz OIXGOOZNWDROAF-GAJHUEQPSA-N 0 0 404.510 5.164 40 0 HKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc2ccccc2c1 ZINC000044947763 522222380 /nfs/dbraw/zinc/22/23/80/522222380.db2.gz OIXGOOZNWDROAF-HXOBKFHXSA-N 0 0 404.510 5.164 40 0 HKABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc2ccccc2c1 ZINC000044947768 524001758 /nfs/dbraw/zinc/00/17/58/524001758.db2.gz OIXGOOZNWDROAF-SBUREZEXSA-N 0 0 404.510 5.164 40 0 HKABRN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000044947802 525937017 /nfs/dbraw/zinc/93/70/17/525937017.db2.gz QSMNHZYJRKOSFT-KRWDZBQOSA-N 0 0 419.496 5.760 40 0 HKABRN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000044947806 525930516 /nfs/dbraw/zinc/93/05/16/525930516.db2.gz QSMNHZYJRKOSFT-QGZVFWFLSA-N 0 0 419.496 5.760 40 0 HKABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)c1 ZINC000044947869 524249055 /nfs/dbraw/zinc/24/90/55/524249055.db2.gz MABIONHXNCRAIS-INIZCTEOSA-N 0 0 409.954 5.221 40 0 HKABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)c1 ZINC000044947874 524251286 /nfs/dbraw/zinc/25/12/86/524251286.db2.gz MABIONHXNCRAIS-MRXNPFEDSA-N 0 0 409.954 5.221 40 0 HKABRN Cc1ccc(C)c(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000044947892 524095165 /nfs/dbraw/zinc/09/51/65/524095165.db2.gz YFGBYSFVFXUQIQ-UHFFFAOYSA-N 0 0 414.549 6.034 40 0 HKABRN CCOC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000044947905 521557356 /nfs/dbraw/zinc/55/73/56/521557356.db2.gz GFMZVRMEKKFMMT-UHFFFAOYSA-N 0 0 414.505 5.068 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000044948225 525241444 /nfs/dbraw/zinc/24/14/44/525241444.db2.gz QVCKEPJOGJHERB-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000044948308 522872088 /nfs/dbraw/zinc/87/20/88/522872088.db2.gz ZHBKHIAQLYLJLX-QFIPXVFZSA-N 0 0 409.913 6.545 40 0 HKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000044948312 523039254 /nfs/dbraw/zinc/03/92/54/523039254.db2.gz ZHBKHIAQLYLJLX-JOCHJYFZSA-N 0 0 409.913 6.545 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000044948644 522876926 /nfs/dbraw/zinc/87/69/26/522876926.db2.gz WKCYOPHVXCFUHC-VWLOTQADSA-N 0 0 405.538 5.533 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000044948648 523046667 /nfs/dbraw/zinc/04/66/67/523046667.db2.gz WKCYOPHVXCFUHC-RUZDIDTESA-N 0 0 405.538 5.533 40 0 HKABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 ZINC000044949250 524248833 /nfs/dbraw/zinc/24/88/33/524248833.db2.gz RLBIEWBASXYYOJ-FQEVSTJZSA-N 0 0 408.542 5.034 40 0 HKABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 ZINC000044949254 524251519 /nfs/dbraw/zinc/25/15/19/524251519.db2.gz RLBIEWBASXYYOJ-HXUWFJFHSA-N 0 0 408.542 5.034 40 0 HKABRN Cc1cc(C)cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000044950264 524433950 /nfs/dbraw/zinc/43/39/50/524433950.db2.gz OIPMPUCJYCNTCN-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN c1ccc(C23N=NC(c4ccccc4)([C@H]4c5ccccc5[C@@H]42)[C@@H]2c4ccccc4[C@@H]23)cc1 ZINC000045069659 526461981 /nfs/dbraw/zinc/46/19/81/526461981.db2.gz ZGICMEIBGZXTNZ-JTLWTFSISA-N 0 0 410.520 7.019 40 0 HKABRN O=S1(=O)[C@@H]2C=CC=C[C@H]1c1c2c(-c2ccccc2)c2ccccc2c1-c1ccccc1 ZINC000045070960 527316918 /nfs/dbraw/zinc/31/69/18/527316918.db2.gz GDVYVXDSJJLKOV-PSWAGMNNSA-N 0 0 420.533 6.810 40 0 HKABRN CCOC(=O)Nc1ccc(NC(=O)OCC)c2c1[C@@H]1C=C[C@H]2[C@]23C=C[C@]12CC=CC3 ZINC000045071079 520994640 /nfs/dbraw/zinc/99/46/40/520994640.db2.gz SVKMCRRMXIRDJM-CRHBMCAUSA-N 0 0 406.482 5.467 40 0 HKABRN CCOC(=O)Nc1ccc(NC(=O)OCC)c2c1[C@@H]1C=C[C@H]2[C@@]23C=C[C@@]12CC=CC3 ZINC000045071080 520993695 /nfs/dbraw/zinc/99/36/95/520993695.db2.gz SVKMCRRMXIRDJM-RIQHXCIPSA-N 0 0 406.482 5.467 40 0 HKABRN COc1c2c(-c3ccccc3)ccc(-c3ccccc3)c2c(OC)c2c1[C@H]1C=C[C@@H]2CC1 ZINC000045071249 521882527 /nfs/dbraw/zinc/88/25/27/521882527.db2.gz ODOGARMFEMCUBA-SZPZYZBQSA-N 0 0 418.536 7.722 40 0 HKABRN COc1c2c(c(OC)c3c(-c4ccccc4)ccc(-c4ccccc4)c13)[C@@H]1C=C[C@H]2C1 ZINC000045071255 521885003 /nfs/dbraw/zinc/88/50/03/521885003.db2.gz CCKBDSAGBPUHCZ-OYRHEFFESA-N 0 0 404.509 7.332 40 0 HKABRN CC(C)=C1[C@H]2c3ccccc3[C@@H]1[C@]1(Cl)[C@]2(Cl)C(Cl)=C(Cl)S1(=O)=O ZINC000045071351 559173923 /nfs/dbraw/zinc/17/39/23/559173923.db2.gz XUKZDNARABUSEA-NOXHYTERSA-N 0 0 410.149 5.205 40 0 HKABRN Cc1ccc(NC(=O)CCSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000045209002 525036611 /nfs/dbraw/zinc/03/66/11/525036611.db2.gz QLJHXBSIMOZOFC-UHFFFAOYSA-N 0 0 414.534 5.364 40 0 HKABRN CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)cc3Cl)n2)cc1 ZINC000045772725 519834014 /nfs/dbraw/zinc/83/40/14/519834014.db2.gz FYALQPIOKXIQMO-UHFFFAOYSA-N 0 0 404.297 5.738 40 0 HKABRN CCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NC2CC2)c1 ZINC000045789241 519944637 /nfs/dbraw/zinc/94/46/37/519944637.db2.gz WHVLALWANPVCPI-UHFFFAOYSA-N 0 0 403.607 6.248 40 0 in-vitro HKABRN Cc1cc2nc(N)sc2c(C)c1NC(=O)COc1c(C)cc(Cl)cc1Cl ZINC000045890382 525677509 /nfs/dbraw/zinc/67/75/09/525677509.db2.gz SRSUZPAKXULQJA-UHFFFAOYSA-N 0 0 410.326 5.128 40 0 HKABRN Cc1cc2nc(N)sc2c(C)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000045890422 525676620 /nfs/dbraw/zinc/67/66/20/525676620.db2.gz GPMSACMVJWOZGQ-SNVBAGLBSA-N 0 0 410.326 5.208 40 0 HKABRN Cc1cc2nc(N)sc2c(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000045890426 525677246 /nfs/dbraw/zinc/67/72/46/525677246.db2.gz GPMSACMVJWOZGQ-JTQLQIEISA-N 0 0 410.326 5.208 40 0 HKABRN Nc1c(Cl)cc(NC(=O)Cc2ccc(Cl)cc2)c(Cl)c1Br ZINC000045891612 527431144 /nfs/dbraw/zinc/43/11/44/527431144.db2.gz YVXFBHUQBYYSRA-UHFFFAOYSA-N 0 0 408.510 5.173 40 0 HKABRN COC(=O)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Br)nc2c1 ZINC000045919905 522187865 /nfs/dbraw/zinc/18/78/65/522187865.db2.gz CMYUOTGAYPRERD-UHFFFAOYSA-N 0 0 401.043 5.351 40 0 HKABRN CCOC(=O)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Br)nc2c1 ZINC000045919907 521532649 /nfs/dbraw/zinc/53/26/49/521532649.db2.gz CKOZYBORPYOYQN-UHFFFAOYSA-N 0 0 415.070 5.741 40 0 HKABRN COC(=O)c1ccc2oc(-c3cc(Cl)c(Br)c(Cl)c3)nc2c1 ZINC000045919939 522189130 /nfs/dbraw/zinc/18/91/30/522189130.db2.gz ROLLLKXHYSDIDK-UHFFFAOYSA-N 0 0 401.043 5.351 40 0 HKABRN CCOC(=O)c1ccc2oc(-c3cc(Cl)c(Br)c(Cl)c3)nc2c1 ZINC000045919941 521532360 /nfs/dbraw/zinc/53/23/60/521532360.db2.gz PSLKSUZCRGKGMC-UHFFFAOYSA-N 0 0 415.070 5.741 40 0 HKABRN Nc1c(Br)cc(Br)cc1-c1nc2ccc(F)cc2s1 ZINC000045920018 527424917 /nfs/dbraw/zinc/42/49/17/527424917.db2.gz JBTZQSHJPLZIPQ-UHFFFAOYSA-N 0 0 402.086 5.210 40 0 HKABRN COc1c(Br)cc(-c2nc3ccc(F)cc3s2)cc1Br ZINC000045920046 521772575 /nfs/dbraw/zinc/77/25/75/521772575.db2.gz PKOIVZNMMQTPFF-UHFFFAOYSA-N 0 0 417.097 5.636 40 0 HKABRN COc1cc2nc(-c3ccc(OC)c(Br)c3)oc2c(Br)c1 ZINC000045920254 523061807 /nfs/dbraw/zinc/06/18/07/523061807.db2.gz CEKXQUGTTWZSJO-UHFFFAOYSA-N 0 0 413.065 5.037 40 0 HKABRN COc1cc2nc(-c3cc(Cl)c(OC)c(Cl)c3)oc2c(Br)c1 ZINC000045920256 523062929 /nfs/dbraw/zinc/06/29/29/523062929.db2.gz YJXPVWTWNHISBR-UHFFFAOYSA-N 0 0 403.059 5.581 40 0 HKABRN COc1cc2nc(-c3cc(Br)ccc3Cl)oc2c(Br)c1 ZINC000045920298 523062365 /nfs/dbraw/zinc/06/23/65/523062365.db2.gz AOJNAACDJNSTLS-UHFFFAOYSA-N 0 0 417.484 5.682 40 0 HKABRN Brc1cc(-c2ccccc2)cc2nc(-c3ccc(-n4cnnc4)cc3)oc21 ZINC000045920443 518206017 /nfs/dbraw/zinc/20/60/17/518206017.db2.gz LPLOSPPIYSKRMR-UHFFFAOYSA-N 0 0 417.266 5.505 40 0 HKABRN Brc1cc(-c2ccccc2)cc2nc(-c3cccc(-n4cnnc4)c3)oc21 ZINC000045920506 518206866 /nfs/dbraw/zinc/20/68/66/518206866.db2.gz BPXDNPXMNGASFG-UHFFFAOYSA-N 0 0 417.266 5.505 40 0 HKABRN Nc1c(Br)cc(Br)cc1-c1nc2c(cccc2Cl)s1 ZINC000045920765 527425501 /nfs/dbraw/zinc/42/55/01/527425501.db2.gz IVPAURSPJRSTLR-UHFFFAOYSA-N 0 0 418.541 5.724 40 0 HKABRN Clc1cccc2sc(-c3cc(I)ccc3Cl)nc21 ZINC000045920954 526983262 /nfs/dbraw/zinc/98/32/62/526983262.db2.gz WIZHOMJIIJDFDF-UHFFFAOYSA-N 0 0 406.075 5.875 40 0 HKABRN COC(=O)/C=C/c1cc(Br)c(-c2cc(C)c(Br)cc2C)o1 ZINC000045957938 522743193 /nfs/dbraw/zinc/74/31/93/522743193.db2.gz SOBITNISLZHCJT-SNAWJCMRSA-N 0 0 414.093 5.275 40 0 HKABRN CC(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000046539428 558840631 /nfs/dbraw/zinc/84/06/31/558840631.db2.gz CPONICFGXQRITM-UHFFFAOYSA-N 0 0 412.486 5.002 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000047156162 558841787 /nfs/dbraw/zinc/84/17/87/558841787.db2.gz UDVGFEPLSUPINP-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN Cc1ccc(N2C(=O)c3ccccc3N[C@]23C(=O)Nc2c3cccc2Cl)cc1Cl ZINC000049947062 569038843 /nfs/dbraw/zinc/03/88/43/569038843.db2.gz FQNTYYYHMICBRZ-QFIPXVFZSA-N 0 0 424.287 5.179 40 0 HKABRN Cc1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)Nc2c3cccc2Cl)cc1Cl ZINC000049947063 569038880 /nfs/dbraw/zinc/03/88/80/569038880.db2.gz FQNTYYYHMICBRZ-JOCHJYFZSA-N 0 0 424.287 5.179 40 0 HKABRN CC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccc(OCc2ccccc2)cc1 ZINC000049947093 569038901 /nfs/dbraw/zinc/03/89/01/569038901.db2.gz OQAUSRZJJRPONG-UHFFFAOYSA-N 0 0 409.595 6.278 40 0 HKABRN CC(C)(C)OC(=O)N1CCC(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000051104654 558854210 /nfs/dbraw/zinc/85/42/10/558854210.db2.gz FQRXXMUFCLNEEK-UHFFFAOYSA-N 0 0 409.505 5.338 40 0 HKABRN CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000052410718 560645435 /nfs/dbraw/zinc/64/54/35/560645435.db2.gz UCBTYTPINWZFNC-UHFFFAOYSA-N 0 0 401.677 5.013 40 0 HKABRN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 ZINC000052410787 569352260 /nfs/dbraw/zinc/35/22/60/569352260.db2.gz IDRTUVIKBXBVDC-UHFFFAOYSA-N 0 0 401.677 5.256 40 0 HKABRN O=C(CCc1nc(-c2ccc(F)cc2)no1)N(Cc1ccccc1)Cc1ccccc1 ZINC000053267153 558862965 /nfs/dbraw/zinc/86/29/65/558862965.db2.gz SAMNNEQMCKKTMT-UHFFFAOYSA-N 0 0 415.468 5.037 40 0 HKABRN COc1ccc(CN2Cc3c(C)c(C)sc3N(C(=O)c3ccc(OC)cc3)C2)cc1 ZINC000054350459 569027866 /nfs/dbraw/zinc/02/78/66/569027866.db2.gz YDSXIMDLNNECJZ-UHFFFAOYSA-N 0 0 422.550 5.002 40 0 HKABRN COc1ccc(C(=O)N2CN(CCC3=CCCCC3)Cc3c(C)c(C)sc32)cc1 ZINC000054350464 569027845 /nfs/dbraw/zinc/02/78/45/569027845.db2.gz HODRQVGFVKHHKX-UHFFFAOYSA-N 0 0 410.583 5.684 40 0 HKABRN O=C(Nc1ccccc1Sc1ccccc1)c1ccc(CN2CCCC2=O)cc1 ZINC000054720060 558868634 /nfs/dbraw/zinc/86/86/34/558868634.db2.gz QVLDHNUMTNEHRR-UHFFFAOYSA-N 0 0 402.519 5.213 40 0 HKABRN C[C@@]1(N2CCCCC2)C(=O)c2cc(Br)ccc2O[C@H]1c1ccccc1 ZINC000055125041 558873447 /nfs/dbraw/zinc/87/34/47/558873447.db2.gz SOUITRDHKQNZDX-LEWJYISDSA-N 0 0 400.316 5.010 40 0 HKABRN C[C@]1(N2CCCCC2)C(=O)c2cc(Br)ccc2O[C@H]1c1ccccc1 ZINC000055125044 558873551 /nfs/dbraw/zinc/87/35/51/558873551.db2.gz SOUITRDHKQNZDX-SFTDATJTSA-N 0 0 400.316 5.010 40 0 HKABRN C[C@@]1(N2CCCCC2)C(=O)c2cc(Br)ccc2O[C@@H]1c1ccccc1 ZINC000055125048 558873438 /nfs/dbraw/zinc/87/34/38/558873438.db2.gz SOUITRDHKQNZDX-NHCUHLMSSA-N 0 0 400.316 5.010 40 0 HKABRN C[C@]1(N2CCCCC2)C(=O)c2cc(Br)ccc2O[C@@H]1c1ccccc1 ZINC000055125052 558873516 /nfs/dbraw/zinc/87/35/16/558873516.db2.gz SOUITRDHKQNZDX-RTWAWAEBSA-N 0 0 400.316 5.010 40 0 HKABRN Cc1ccc(NC(=O)OCC2CCCCC2)cc1NC(=O)OCC1CCCCC1 ZINC000055129402 558873443 /nfs/dbraw/zinc/87/34/43/558873443.db2.gz QWHRRTUAFOZZOV-UHFFFAOYSA-N 0 0 402.535 6.253 40 0 HKABRN OC1(c2ccc3c(c2)c2c4n3CCN(Cc3ccccc3)[C@H]4CCC2)CCCCC1 ZINC000055212207 569380449 /nfs/dbraw/zinc/38/04/49/569380449.db2.gz UZLSNKZNMAKTBE-VWLOTQADSA-N 0 0 400.566 5.686 40 0 HKABRN OC1(c2ccc3c(c2)c2c4n3CCN(Cc3ccccc3)[C@@H]4CCC2)CCCCC1 ZINC000055212208 569380550 /nfs/dbraw/zinc/38/05/50/569380550.db2.gz UZLSNKZNMAKTBE-RUZDIDTESA-N 0 0 400.566 5.686 40 0 HKABRN Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(-c3ccccc3)c(=S)[nH]2)cc1 ZINC000057291933 568825929 /nfs/dbraw/zinc/82/59/29/568825929.db2.gz XDGPSLOSRCOSJQ-UHFFFAOYSA-N 0 0 418.543 5.241 40 0 HKABRN Cc1ccc(S(=O)(=O)c2nc(Nc3ccc4ccccc4c3)sc2Cl)cc1 ZINC000057291949 568825844 /nfs/dbraw/zinc/82/58/44/568825844.db2.gz YNSNDXAJDKVAJF-UHFFFAOYSA-N 0 0 414.939 5.835 40 0 HKABRN Cc1ccc2c(cccc2NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)n1 ZINC000057312804 568490304 /nfs/dbraw/zinc/49/03/04/568490304.db2.gz XTYGHOUPKOEWTD-UHFFFAOYSA-N 0 0 411.530 5.188 40 0 HKABRN CC[C@@H](C)c1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)cc1 ZINC000057312813 568490363 /nfs/dbraw/zinc/49/03/63/568490363.db2.gz SMTPJQGDLBKNLE-FYPAKXHLSA-N 0 0 404.535 5.987 40 0 HKABRN CC[C@H](C)c1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)cc1 ZINC000057312814 568490359 /nfs/dbraw/zinc/49/03/59/568490359.db2.gz SMTPJQGDLBKNLE-ZQHZRZASSA-N 0 0 404.535 5.987 40 0 HKABRN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc5nsnc5c4)c3)oc2c(C)c1 ZINC000057312919 568490331 /nfs/dbraw/zinc/49/03/31/568490331.db2.gz YZWLCYOLKSJAJX-UHFFFAOYSA-N 0 0 414.490 5.677 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(Cl)cc1Cl ZINC000057312931 568490324 /nfs/dbraw/zinc/49/03/24/568490324.db2.gz IFUIQQDWTYTMBO-DHZHZOJOSA-N 0 0 417.317 5.780 40 0 HKABRN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc2nsnc2c1 ZINC000057312948 568490311 /nfs/dbraw/zinc/49/03/11/568490311.db2.gz PLPWSUCJPLIHQB-UHFFFAOYSA-N 0 0 420.881 5.714 40 0 HKABRN CCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000057313099 568490560 /nfs/dbraw/zinc/49/05/60/568490560.db2.gz GQPKNTNTEFPJIQ-UHFFFAOYSA-N 0 0 416.949 5.782 40 0 HKABRN Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)cc(C)c1I ZINC000057313177 568491678 /nfs/dbraw/zinc/49/16/78/568491678.db2.gz JCIJHEAXGFPDSZ-UHFFFAOYSA-N 0 0 420.077 5.467 40 0 HKABRN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc2nsnc2c1 ZINC000057313186 568491768 /nfs/dbraw/zinc/49/17/68/568491768.db2.gz CKNXGDQBSUDEQA-UHFFFAOYSA-N 0 0 402.504 5.529 40 0 HKABRN O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccc2nsnc2c1 ZINC000057313209 568491675 /nfs/dbraw/zinc/49/16/75/568491675.db2.gz KLJSLYNDLXVFHS-UHFFFAOYSA-N 0 0 424.844 5.544 40 0 HKABRN O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc2nsnc2c1 ZINC000057313225 568491727 /nfs/dbraw/zinc/49/17/27/568491727.db2.gz IFZIUOAWDZADGV-UHFFFAOYSA-N 0 0 406.854 5.405 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2cc(C)c(I)c(C)c2)c1 ZINC000057313276 568491770 /nfs/dbraw/zinc/49/17/70/568491770.db2.gz MELRYCMVICIXBS-UHFFFAOYSA-N 0 0 423.294 5.339 40 0 HKABRN Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1NC(=O)c1ccco1 ZINC000057313337 568491662 /nfs/dbraw/zinc/49/16/62/568491662.db2.gz ZHECBPIXBQPHFM-SDNWHVSQSA-N 0 0 412.445 5.752 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cccc(Cl)c1Cl ZINC000057313431 568491765 /nfs/dbraw/zinc/49/17/65/568491765.db2.gz AVUATYYKAMHNCN-ZRDIBKRKSA-N 0 0 417.317 5.780 40 0 HKABRN Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(-c4ccccc4)cc3)nn12 ZINC000057313465 568491720 /nfs/dbraw/zinc/49/17/20/568491720.db2.gz WRZQRNSBYMBHAK-UHFFFAOYSA-N 0 0 411.490 5.081 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccccc1I ZINC000057313496 568491709 /nfs/dbraw/zinc/49/17/09/568491709.db2.gz IXUKHUXNBRWTJZ-ACCUITESSA-N 0 0 415.230 5.203 40 0 HKABRN Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)cc(C)c1I ZINC000057313531 568491681 /nfs/dbraw/zinc/49/16/81/568491681.db2.gz VMLRYEXRIVUNAF-UHFFFAOYSA-N 0 0 423.294 5.049 40 0 HKABRN Cc1ccc2cccc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)c2n1 ZINC000057313584 568491871 /nfs/dbraw/zinc/49/18/71/568491871.db2.gz IPAJFVIOKVWDRR-FMIVXFBMSA-N 0 0 423.299 6.762 40 0 HKABRN Cc1ccc2c(cccc2NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)n1 ZINC000057313603 568491852 /nfs/dbraw/zinc/49/18/52/568491852.db2.gz PBAGGWNMLCYNPU-UHFFFAOYSA-N 0 0 406.441 5.569 40 0 HKABRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000057313619 568491829 /nfs/dbraw/zinc/49/18/29/568491829.db2.gz AXFNTBHSSHNFIX-UHFFFAOYSA-N 0 0 420.852 6.006 40 0 HKABRN Cc1cc2nc(-c3cccc(NC(=O)c4ccc5nsnc5c4)c3)oc2c(C)c1 ZINC000057313623 568491811 /nfs/dbraw/zinc/49/18/11/568491811.db2.gz YSHNFOCLFRGIOF-UHFFFAOYSA-N 0 0 400.463 5.369 40 0 HKABRN Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1NC(=O)c1ccccc1 ZINC000057313685 568491826 /nfs/dbraw/zinc/49/18/26/568491826.db2.gz BGBKMCBPFDZFLR-SAPNQHFASA-N 0 0 422.484 6.159 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Br)cc1Cl ZINC000057313709 568491862 /nfs/dbraw/zinc/49/18/62/568491862.db2.gz OCWQRMGKHWYCCG-DHZHZOJOSA-N 0 0 402.675 6.014 40 0 HKABRN Cc1ccc2nsnc2c1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 ZINC000057313836 568491880 /nfs/dbraw/zinc/49/18/80/568491880.db2.gz GFXYDMGYUUSOBL-UHFFFAOYSA-N 0 0 414.284 5.275 40 0 HKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000057313866 568491848 /nfs/dbraw/zinc/49/18/48/568491848.db2.gz JNELTKVUDVQPFY-UHFFFAOYSA-N 0 0 403.103 5.552 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1cc(NC(=O)c2ccco2)ccc1C ZINC000057313897 568491816 /nfs/dbraw/zinc/49/18/16/568491816.db2.gz SLGAIXDLVVHGOF-UHFFFAOYSA-N 0 0 400.434 5.254 40 0 HKABRN Cc1cccc(C(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2)c1 ZINC000057313900 568491815 /nfs/dbraw/zinc/49/18/15/568491815.db2.gz IIUDVICBQQGLPX-BMRADRMJSA-N 0 0 422.484 6.159 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc5nsnc5c4)ccc3o2)c(Cl)c1 ZINC000057313913 568491873 /nfs/dbraw/zinc/49/18/73/568491873.db2.gz ZUDHGJJVBXMBIY-UHFFFAOYSA-N 0 0 420.881 5.714 40 0 HKABRN O=C(Nc1c2nsnc2ccc1Cl)c1cccc2c(Br)cccc12 ZINC000057313927 568491850 /nfs/dbraw/zinc/49/18/50/568491850.db2.gz VGAMJXWYSLVWNL-UHFFFAOYSA-N 0 0 418.703 5.513 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c(OC)c1 ZINC000057313941 568491877 /nfs/dbraw/zinc/49/18/77/568491877.db2.gz DVQKYGJLXBABSL-UHFFFAOYSA-N 0 0 402.450 5.381 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=S)Nc1cccnc1Cl ZINC000057313946 568491833 /nfs/dbraw/zinc/49/18/33/568491833.db2.gz UXZHRXQPWDZQDQ-CSKARUKUSA-N 0 0 418.305 5.175 40 0 HKABRN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c(OC)c1 ZINC000057314020 568491856 /nfs/dbraw/zinc/49/18/56/568491856.db2.gz SHUVARMYPRPZNY-UHFFFAOYSA-N 0 0 424.456 5.918 40 0 HKABRN Cc1ccc2nsnc2c1NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000057314061 568491882 /nfs/dbraw/zinc/49/18/82/568491882.db2.gz SZIRVVBHVHNLAM-UHFFFAOYSA-N 0 0 413.458 5.025 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c(OC)c1 ZINC000057314133 568491847 /nfs/dbraw/zinc/49/18/47/568491847.db2.gz RZNGVZPPSNEMKI-UHFFFAOYSA-N 0 0 416.477 5.888 40 0 HKABRN Cc1ccc2cccc(NC(=S)NC(=O)C=Cc3ccc(-c4ccccc4)o3)c2n1 ZINC000057314135 568491823 /nfs/dbraw/zinc/49/18/23/568491823.db2.gz BWWGNGVJSVRZJO-FYWRMAATSA-N 0 0 413.502 5.330 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c(OC)c1 ZINC000057314140 568491922 /nfs/dbraw/zinc/49/19/22/568491922.db2.gz FWEJQFUZAZGWHW-UHFFFAOYSA-N 0 0 402.450 5.381 40 0 HKABRN Cc1ccc2c(cccc2NC(=O)c2cc(I)ccc2Cl)n1 ZINC000057315572 568491926 /nfs/dbraw/zinc/49/19/26/568491926.db2.gz CIAOZQWRZPYKRB-UHFFFAOYSA-N 0 0 422.653 5.054 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000057315617 568491952 /nfs/dbraw/zinc/49/19/52/568491952.db2.gz BFSFVOWIOUJUEX-FYWRMAATSA-N 0 0 414.486 5.912 40 0 HKABRN Cc1ccc2c(cccc2NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)n1 ZINC000057315624 568491935 /nfs/dbraw/zinc/49/19/35/568491935.db2.gz HZUGHEPZUJNZMF-JLHYYAGUSA-N 0 0 402.881 6.417 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2cc(C)c(I)c(C)c2)cc1 ZINC000057315660 568491954 /nfs/dbraw/zinc/49/19/54/568491954.db2.gz LTKKWPKSUAHUMT-UHFFFAOYSA-N 0 0 423.294 5.339 40 0 HKABRN Cc1ccc2c(cccc2NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000057315683 568491928 /nfs/dbraw/zinc/49/19/28/568491928.db2.gz IHYVOSFKTDENEY-UHFFFAOYSA-N 0 0 421.909 5.583 40 0 HKABRN Cc1ccc2cccc(NC(=O)COc3c(Cl)c(C)c(Cl)c(C)c3Cl)c2n1 ZINC000057315701 568491944 /nfs/dbraw/zinc/49/19/44/568491944.db2.gz QMERBFKMFKRFCY-UHFFFAOYSA-N 0 0 423.727 6.138 40 0 HKABRN CC(C)CC(=O)Nc1cccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000057315704 568491967 /nfs/dbraw/zinc/49/19/67/568491967.db2.gz REDNVKJTHBKWDR-UHFFFAOYSA-N 0 0 410.558 5.765 40 0 HKABRN CC(C)c1ccc(O)c(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c1 ZINC000057315757 568491980 /nfs/dbraw/zinc/49/19/80/568491980.db2.gz UQVMUPUDSOZNJF-JLHYYAGUSA-N 0 0 406.507 5.302 40 0 HKABRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000057315762 568491971 /nfs/dbraw/zinc/49/19/71/568491971.db2.gz DJJRSWRSGWTAFU-UHFFFAOYSA-N 0 0 404.853 5.899 40 0 HKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000057315782 568491948 /nfs/dbraw/zinc/49/19/48/568491948.db2.gz DPOROTZPHNTNQQ-UHFFFAOYSA-N 0 0 403.103 5.552 40 0 HKABRN Cc1cc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)ccc1Br ZINC000057315790 568492035 /nfs/dbraw/zinc/49/20/35/568492035.db2.gz XPHAKUONQKRLFJ-UHFFFAOYSA-N 0 0 404.348 5.851 40 0 HKABRN COc1cc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)c(OC)cc1Cl ZINC000057315793 568492112 /nfs/dbraw/zinc/49/21/12/568492112.db2.gz NGOWTKFGKIYZFW-UHFFFAOYSA-N 0 0 405.922 5.451 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)c(OC)c1 ZINC000057315806 568492042 /nfs/dbraw/zinc/49/20/42/568492042.db2.gz CPXZUIAXDBMAAQ-UHFFFAOYSA-N 0 0 422.868 5.726 40 0 HKABRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)c2ccccc2Cl)c1Cl ZINC000057315820 568492052 /nfs/dbraw/zinc/49/20/52/568492052.db2.gz IMIFHDZHXPXOKO-UHFFFAOYSA-N 0 0 421.349 5.989 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000057315828 568492103 /nfs/dbraw/zinc/49/21/03/568492103.db2.gz RROKABAWCIOVON-JQIJEIRASA-N 0 0 422.509 6.875 40 0 HKABRN CCCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1OC ZINC000057315830 568492034 /nfs/dbraw/zinc/49/20/34/568492034.db2.gz UWNRPGCQWCNDBT-DTQAZKPQSA-N 0 0 418.493 5.736 40 0 HKABRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)c2cccnc2Cl)c1Cl ZINC000057315846 568492038 /nfs/dbraw/zinc/49/20/38/568492038.db2.gz MGRWAERZCIHAFW-UHFFFAOYSA-N 0 0 422.337 5.384 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000057315861 568492058 /nfs/dbraw/zinc/49/20/58/568492058.db2.gz BZKWLHQAVIVPDT-ACCUITESSA-N 0 0 406.894 6.375 40 0 HKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1 ZINC000057315895 568492046 /nfs/dbraw/zinc/49/20/46/568492046.db2.gz QQYHIPCILWOZIV-UHFFFAOYSA-N 0 0 414.977 6.034 40 0 HKABRN COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c(OC)c1 ZINC000057315903 568492114 /nfs/dbraw/zinc/49/21/14/568492114.db2.gz VQEGSSULXNGOMC-UHFFFAOYSA-N 0 0 408.841 5.418 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccccc1N1CCCC1 ZINC000057315912 568492096 /nfs/dbraw/zinc/49/20/96/568492096.db2.gz VETZVPPHVLPUOQ-FYWRMAATSA-N 0 0 417.534 5.073 40 0 HKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000057315925 568492061 /nfs/dbraw/zinc/49/20/61/568492061.db2.gz GSRAQWWEXBQAGC-UHFFFAOYSA-N 0 0 402.947 6.043 40 0 HKABRN CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(OC)cc4OC)c3)nc2c1 ZINC000057315927 568492094 /nfs/dbraw/zinc/49/20/94/568492094.db2.gz OBIXPOSWFQJIEQ-UHFFFAOYSA-N 0 0 402.450 5.327 40 0 HKABRN Cc1cc2nc(-c3ccc(NC(=O)c4ccc5nsnc5c4)cc3)oc2cc1C ZINC000057315931 568492054 /nfs/dbraw/zinc/49/20/54/568492054.db2.gz OEQHMKNNPUBAHL-UHFFFAOYSA-N 0 0 400.463 5.369 40 0 HKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 ZINC000057315948 568492032 /nfs/dbraw/zinc/49/20/32/568492032.db2.gz YJGYKENDTGOLJE-SDNWHVSQSA-N 0 0 408.885 5.991 40 0 HKABRN Cc1ccc2c(cccc2NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)n1 ZINC000057315967 568492066 /nfs/dbraw/zinc/49/20/66/568492066.db2.gz RJIAXMONQUBPMC-JLHYYAGUSA-N 0 0 423.299 6.762 40 0 HKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000057315987 568492037 /nfs/dbraw/zinc/49/20/37/568492037.db2.gz QYESARUNZREFMO-UHFFFAOYSA-N 0 0 424.294 6.145 40 0 HKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 ZINC000057315992 568492064 /nfs/dbraw/zinc/49/20/64/568492064.db2.gz ASWGEAVMDHQUMJ-UHFFFAOYSA-N 0 0 420.509 5.626 40 0 HKABRN COc1ccc(Cl)cc1NC(=S)NC(=O)C=Cc1ccc(-c2ccccc2)o1 ZINC000057316023 568492197 /nfs/dbraw/zinc/49/21/97/568492197.db2.gz GMPIGWLBEAFNTN-FMIVXFBMSA-N 0 0 412.898 5.135 40 0 HKABRN Cc1ccc2c(cccc2NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)n1 ZINC000057316036 568492169 /nfs/dbraw/zinc/49/21/69/568492169.db2.gz RSQSROKSEMDPRI-JXMROGBWSA-N 0 0 423.299 6.762 40 0 HKABRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc5nsnc5c4)c3)oc2c1 ZINC000057316038 568492210 /nfs/dbraw/zinc/49/22/10/568492210.db2.gz ZLRHMBFBXPEPJE-UHFFFAOYSA-N 0 0 420.881 5.714 40 0 HKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1cccc2nc(C)ccc21 ZINC000057316131 568492208 /nfs/dbraw/zinc/49/22/08/568492208.db2.gz SNANIWXWGWONIW-UHFFFAOYSA-N 0 0 421.294 5.720 40 0 HKABRN Cc1cc2nc(-c3cccc(NC(=O)c4ccc5nsnc5c4)c3C)oc2c(C)c1 ZINC000057316133 568492159 /nfs/dbraw/zinc/49/21/59/568492159.db2.gz ORGXPCCJPBPVFL-UHFFFAOYSA-N 0 0 414.490 5.677 40 0 HKABRN CCC(=O)Nc1nc2ccc(NC(=O)COc3cc(C)ccc3C(C)C)cc2s1 ZINC000057316148 568492192 /nfs/dbraw/zinc/49/21/92/568492192.db2.gz AXWZCDNSUQKSBQ-UHFFFAOYSA-N 0 0 411.527 5.094 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1c(O)ccc2ccccc21 ZINC000057316149 568492205 /nfs/dbraw/zinc/49/22/05/568492205.db2.gz FLLJFTZGAZNJHM-NTCAYCPXSA-N 0 0 414.486 5.332 40 0 HKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000057316164 568492200 /nfs/dbraw/zinc/49/22/00/568492200.db2.gz ALPFZAXOVMFCHM-UHFFFAOYSA-N 0 0 413.867 6.452 40 0 HKABRN CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccc5nsnc5c4)c3)nc2c1 ZINC000057316166 568492194 /nfs/dbraw/zinc/49/21/94/568492194.db2.gz ZXYMMSVRFYBQDV-UHFFFAOYSA-N 0 0 414.490 5.875 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(N2CCCC2)cc1 ZINC000057316183 568492191 /nfs/dbraw/zinc/49/21/91/568492191.db2.gz BJAZUGCBYHCUNM-FYWRMAATSA-N 0 0 417.534 5.073 40 0 HKABRN O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)C(F)(F)F ZINC000057316776 568490824 /nfs/dbraw/zinc/49/08/24/568490824.db2.gz VYBYDDAINAAJFH-UHFFFAOYSA-N 0 0 419.584 5.412 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057317020 568490917 /nfs/dbraw/zinc/49/09/17/568490917.db2.gz OVXWINMXLZPWIE-KGVSQERTSA-N 0 0 416.702 5.692 40 0 HKABRN O=C(COc1ccc(Cl)cc1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057317021 568490915 /nfs/dbraw/zinc/49/09/15/568490915.db2.gz UYBYFSQEHWKCBK-UHFFFAOYSA-N 0 0 420.690 5.058 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000057317029 568490966 /nfs/dbraw/zinc/49/09/66/568490966.db2.gz ONOYCIJNKLDIJK-LHHJGKSTSA-N 0 0 424.338 6.162 40 0 HKABRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cccc2ccccc21 ZINC000057317033 568490954 /nfs/dbraw/zinc/49/09/54/568490954.db2.gz NQEOIDGJTQBRLX-UHFFFAOYSA-N 0 0 406.279 5.792 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1Cl ZINC000057317034 568490932 /nfs/dbraw/zinc/49/09/32/568490932.db2.gz HOLLLCDRWPTOOR-UHFFFAOYSA-N 0 0 420.690 5.301 40 0 HKABRN COc1ccc(Cl)cc1C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057317041 568490964 /nfs/dbraw/zinc/49/09/64/568490964.db2.gz NBAMIUUTJDICTA-UHFFFAOYSA-N 0 0 420.690 5.301 40 0 HKABRN O=C(COc1ccccc1Cl)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057317057 568490924 /nfs/dbraw/zinc/49/09/24/568490924.db2.gz SFOAMMSVZHFWIO-UHFFFAOYSA-N 0 0 420.690 5.058 40 0 HKABRN CC(C)Oc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000057317075 568490945 /nfs/dbraw/zinc/49/09/45/568490945.db2.gz LFGKJPLVYVOAIA-UHFFFAOYSA-N 0 0 414.299 5.426 40 0 HKABRN CCOc1cccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000057317076 568490958 /nfs/dbraw/zinc/49/09/58/568490958.db2.gz IQVULXYGPRETAB-UHFFFAOYSA-N 0 0 400.272 5.038 40 0 HKABRN O=C(c1ccc2ccccc2c1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317258 568491045 /nfs/dbraw/zinc/49/10/45/568491045.db2.gz DRJCCEAYGVAEQR-UHFFFAOYSA-N 0 0 422.809 5.012 40 0 HKABRN O=C(c1cccc2ccccc21)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317275 568491016 /nfs/dbraw/zinc/49/10/16/568491016.db2.gz NKSYARWBJJVZJO-UHFFFAOYSA-N 0 0 422.809 5.012 40 0 HKABRN CCOc1cccc(-c2nc3c(cc(Br)c(N)c3Br)o2)c1 ZINC000057326850 569063632 /nfs/dbraw/zinc/06/36/32/569063632.db2.gz GCQGAWZJAUEWTB-UHFFFAOYSA-N 0 0 412.081 5.001 40 0 HKABRN CCOc1ccc(-c2nc3c(cc(Br)c(N)c3Br)o2)cc1 ZINC000057326867 569063644 /nfs/dbraw/zinc/06/36/44/569063644.db2.gz YLJGFZUNDUBRDM-UHFFFAOYSA-N 0 0 412.081 5.001 40 0 HKABRN CCOC(=O)/C=C/c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Cl)o1 ZINC000057327613 569063640 /nfs/dbraw/zinc/06/36/40/569063640.db2.gz OXOZGYRKMWERKX-GQCTYLIASA-N 0 0 423.612 5.958 40 0 HKABRN COC(=O)/C=C/c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Cl)o1 ZINC000057327616 569063657 /nfs/dbraw/zinc/06/36/57/569063657.db2.gz YOCUVBGFUWRGIJ-HWKANZROSA-N 0 0 409.585 5.568 40 0 HKABRN Cc1cc(C)n(-c2nc3c(s2)c(C(F)(F)F)c(Br)cc3Cl)n1 ZINC000057327640 569063636 /nfs/dbraw/zinc/06/36/36/569063636.db2.gz RMZUACWESZGYPM-UHFFFAOYSA-N 0 0 410.646 5.534 40 0 HKABRN Cc1cc(C)n(-c2nc3c(cc(Cl)c4nc(-n5nc(C)cc5C)sc34)s2)n1 ZINC000057327735 569063638 /nfs/dbraw/zinc/06/36/38/569063638.db2.gz MDCLZRXRSUZPNN-UHFFFAOYSA-N 0 0 414.947 5.164 40 0 HKABRN Cc1c(Br)cc(-c2nc3cc(C(C)C)ccc3o2)cc1Br ZINC000057331879 569063656 /nfs/dbraw/zinc/06/36/56/569063656.db2.gz VDNHSEKLRVSOEQ-UHFFFAOYSA-N 0 0 409.121 6.452 40 0 HKABRN Cc1c(Br)cc(-c2nc3c(ccc4ccccc34)o2)cc1Br ZINC000057331893 569063669 /nfs/dbraw/zinc/06/36/69/569063669.db2.gz SQKPORVYXISICD-UHFFFAOYSA-N 0 0 417.100 6.481 40 0 HKABRN Cc1c(Br)cc(-c2nc3cc(Cl)ccc3o2)cc1Br ZINC000057331915 569063628 /nfs/dbraw/zinc/06/36/28/569063628.db2.gz WMCJTIATAXVBOF-UHFFFAOYSA-N 0 0 401.485 5.982 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000057333601 568491185 /nfs/dbraw/zinc/49/11/85/568491185.db2.gz PHEGPQYOUVDGCK-CSKARUKUSA-N 0 0 424.287 5.526 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000057333705 568491170 /nfs/dbraw/zinc/49/11/70/568491170.db2.gz JCLLRFUXDFUZIC-FYWRMAATSA-N 0 0 421.456 5.479 40 0 HKABRN Cc1cc2sc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)nc2c(C)c1 ZINC000057335520 568491143 /nfs/dbraw/zinc/49/11/43/568491143.db2.gz SJBGIGVKTYZNDF-UHFFFAOYSA-N 0 0 419.344 5.472 40 0 HKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000057335528 568491188 /nfs/dbraw/zinc/49/11/88/568491188.db2.gz IJMANBCLWONWAL-UHFFFAOYSA-N 0 0 417.328 5.369 40 0 HKABRN COc1ccc(-c2csc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)cc1 ZINC000057335534 569352313 /nfs/dbraw/zinc/35/23/13/569352313.db2.gz UDIWVIJBDIKYDQ-UHFFFAOYSA-N 0 0 402.903 5.268 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000057335625 569352325 /nfs/dbraw/zinc/35/23/25/569352325.db2.gz GWSPXJLLYVMUSQ-UHFFFAOYSA-N 0 0 405.885 5.679 40 0 HKABRN Cc1ccc(N2C(=O)c3ccccc3[C@@H]2C(=O)c2cc(-c3ccccc3)ccc2O)cc1 ZINC000057339824 569063677 /nfs/dbraw/zinc/06/36/77/569063677.db2.gz MHSNHHLSZYGSRD-AREMUKBSSA-N 0 0 419.480 5.952 40 0 HKABRN Cc1ccc(N2C(=O)c3ccccc3[C@@H]2C(=O)c2c(C)c(Cl)c(C)cc2O)cc1 ZINC000057339829 569063722 /nfs/dbraw/zinc/06/37/22/569063722.db2.gz INCLPHDOKDATJC-JOCHJYFZSA-N 0 0 405.881 5.555 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000057351113 568491190 /nfs/dbraw/zinc/49/11/90/568491190.db2.gz IMRLKSIAPANZIM-DTQAZKPQSA-N 0 0 406.445 5.332 40 0 HKABRN Cc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3n2)cc1 ZINC000057351114 568491113 /nfs/dbraw/zinc/49/11/13/568491113.db2.gz XKQJICLPAIYEHB-DTQAZKPQSA-N 0 0 420.472 5.641 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000057351117 568491132 /nfs/dbraw/zinc/49/11/32/568491132.db2.gz IGCCNTQNFKOOMF-NTCAYCPXSA-N 0 0 424.435 5.472 40 0 HKABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000057351120 568491186 /nfs/dbraw/zinc/49/11/86/568491186.db2.gz JITYTZXEJIZOKY-FYWRMAATSA-N 0 0 420.472 5.641 40 0 HKABRN Cc1cc2nc(-c3ccc(Br)c(Cl)c3)oc2c(Br)c1 ZINC000057351606 569063712 /nfs/dbraw/zinc/06/37/12/569063712.db2.gz CFQIPAWJGUKKRU-UHFFFAOYSA-N 0 0 401.485 5.982 40 0 HKABRN CCc1cc2nc(-c3ccc(Br)c(Cl)c3)oc2c(Br)c1 ZINC000057351608 569063721 /nfs/dbraw/zinc/06/37/21/569063721.db2.gz MRDLLRWVAYQFRZ-UHFFFAOYSA-N 0 0 415.512 6.236 40 0 HKABRN Fc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1Cl ZINC000057351626 569063698 /nfs/dbraw/zinc/06/36/98/569063698.db2.gz NURRXWVNRXDEQH-UHFFFAOYSA-N 0 0 402.650 6.717 40 0 HKABRN Brc1cccc2c(-c3nc4cccc(Cc5ccccc5)c4o3)cccc12 ZINC000057352804 569063709 /nfs/dbraw/zinc/06/37/09/569063709.db2.gz RLFTXLGMQFGGFL-UHFFFAOYSA-N 0 0 414.302 7.001 40 0 HKABRN CCOC(=O)/C=C/c1cc(Br)c(-c2ccc(Br)cc2C)o1 ZINC000057353790 569063736 /nfs/dbraw/zinc/06/37/36/569063736.db2.gz NJMQNFBBVZOJFW-FNORWQNLSA-N 0 0 414.093 5.356 40 0 HKABRN CCOC(=O)/C=C/c1cc(Br)c(-c2ccc(C)cc2Br)o1 ZINC000057353799 569063775 /nfs/dbraw/zinc/06/37/75/569063775.db2.gz SPIWOMYTACEXJP-FNORWQNLSA-N 0 0 414.093 5.356 40 0 HKABRN OC1(c2ccc3c(c2)c2c4n3CCN(Cc3ccccc3)[C@H]4CCC2)CCCCCC1 ZINC000057447967 558888610 /nfs/dbraw/zinc/88/86/10/558888610.db2.gz PELAFBAAKHBAGN-SANMLTNESA-N 0 0 414.593 6.076 40 0 HKABRN OC1(c2ccc3c(c2)c2c4n3CCN(Cc3ccccc3)[C@@H]4CCC2)CCCCCC1 ZINC000057447969 558888552 /nfs/dbraw/zinc/88/85/52/558888552.db2.gz PELAFBAAKHBAGN-AREMUKBSSA-N 0 0 414.593 6.076 40 0 HKABRN Cc1ccc(-c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)o2)cc1 ZINC000057462819 568493359 /nfs/dbraw/zinc/49/33/59/568493359.db2.gz VLFUSXISFHAXBR-UHFFFAOYSA-N 0 0 413.587 5.631 40 0 HKABRN Cc1cccc(-c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)o2)c1 ZINC000057462822 568493344 /nfs/dbraw/zinc/49/33/44/568493344.db2.gz SDSVTSVGWVIJLQ-UHFFFAOYSA-N 0 0 413.587 5.631 40 0 HKABRN O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21)NC1CCCCC1 ZINC000057577518 568492796 /nfs/dbraw/zinc/49/27/96/568492796.db2.gz DCLTVTSJIYDYRG-UHFFFAOYSA-N 0 0 411.958 5.491 40 0 HKABRN CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NC3CCCCC3)c2c1 ZINC000057577523 568492855 /nfs/dbraw/zinc/49/28/55/568492855.db2.gz QUDXOWOPKUSYID-UHFFFAOYSA-N 0 0 423.557 5.539 40 0 HKABRN Cc1ccc2cc(CN(C(=O)NC3CCCCC3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000057581573 568492891 /nfs/dbraw/zinc/49/28/91/568492891.db2.gz BZGBDCUGKLEAOI-UHFFFAOYSA-N 0 0 409.574 5.322 40 0 HKABRN Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)NC3CCCCC3)C3CCCCC3)cc2c1 ZINC000057581577 568492886 /nfs/dbraw/zinc/49/28/86/568492886.db2.gz VJLFUEPOAMUKLA-UHFFFAOYSA-N 0 0 409.574 5.322 40 0 HKABRN Cc1ccc(C)c2[nH]c(=O)c(CN(C(=O)NC3CCCCC3)C3CCCCC3)cc12 ZINC000057581581 568492900 /nfs/dbraw/zinc/49/29/00/568492900.db2.gz YWIUEFFHIZSIST-UHFFFAOYSA-N 0 0 409.574 5.322 40 0 HKABRN Cc1cc(C)c2cc(CN(C(=O)NC3CCCCC3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000057581585 568492843 /nfs/dbraw/zinc/49/28/43/568492843.db2.gz GXBAGXNUJXJCQI-UHFFFAOYSA-N 0 0 409.574 5.322 40 0 HKABRN CC(C)(C)c1ccc(CN(Cc2ccco2)Cc2nnnn2C2CCCCC2)cc1 ZINC000057614062 568494117 /nfs/dbraw/zinc/49/41/17/568494117.db2.gz NAZQYSWIQDGHPW-UHFFFAOYSA-N 0 0 407.562 5.271 40 0 HKABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1ccco1)Cc1ccccc1Cl ZINC000057614074 568494115 /nfs/dbraw/zinc/49/41/15/568494115.db2.gz QNTIILOTWRKPGY-HXUWFJFHSA-N 0 0 415.969 5.464 40 0 HKABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1ccco1)Cc1ccccc1Cl ZINC000057614076 568494197 /nfs/dbraw/zinc/49/41/97/568494197.db2.gz QNTIILOTWRKPGY-FQEVSTJZSA-N 0 0 415.969 5.464 40 0 HKABRN CC(C)[C@@H](c1nnnn1C1CCCC1)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000057614126 568494125 /nfs/dbraw/zinc/49/41/25/568494125.db2.gz MKNUGYBVTLZPMX-QHCPKHFHSA-N 0 0 407.537 5.327 40 0 HKABRN CC(C)[C@H](c1nnnn1C1CCCC1)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000057614129 568494148 /nfs/dbraw/zinc/49/41/48/568494148.db2.gz MKNUGYBVTLZPMX-HSZRJFAPSA-N 0 0 407.537 5.327 40 0 HKABRN Cc1ccc([C@@H](c2nnnn2C(C)(C)C)N(Cc2ccco2)Cc2cccs2)cc1 ZINC000057614132 558889306 /nfs/dbraw/zinc/88/93/06/558889306.db2.gz GWPBJZLTYMUVMV-NRFANRHFSA-N 0 0 421.570 5.183 40 0 HKABRN Cc1ccc([C@H](c2nnnn2C(C)(C)C)N(Cc2ccco2)Cc2cccs2)cc1 ZINC000057614134 558889280 /nfs/dbraw/zinc/88/92/80/558889280.db2.gz GWPBJZLTYMUVMV-OAQYLSRUSA-N 0 0 421.570 5.183 40 0 HKABRN C[C@@]1(O)CC[C@H]2[C@H]3CC[C@H]4Cc5nc(-c6ccccc6)ncc5C[C@]4(C)[C@@H]3CC[C@]21C ZINC000057678735 558889743 /nfs/dbraw/zinc/88/97/43/558889743.db2.gz PHBHRCDYKYBQFC-BMVXNAAQSA-N 0 0 416.609 5.852 40 0 in-vitro HKABRN C[C@@]1(O)CC[C@H]2[C@H]3CC[C@H]4Cc5nc(-c6ccccc6)ncc5C[C@]4(C)[C@H]3CC[C@]21C ZINC000057678738 558889745 /nfs/dbraw/zinc/88/97/45/558889745.db2.gz PHBHRCDYKYBQFC-YEGZKXCGSA-N 0 0 416.609 5.852 40 0 in-vitro HKABRN C[C@@]1(O)CC[C@H]2[C@H]3CC[C@H]4Cc5nc(-c6ccccc6)ncc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000057678741 558889713 /nfs/dbraw/zinc/88/97/13/558889713.db2.gz PHBHRCDYKYBQFC-CQCGCBFOSA-N 0 0 416.609 5.852 40 0 in-vitro HKABRN Cc1cc(C)c2nc(Cl)c(CN(Cc3ccco3)C(=O)C3CCCCC3)cc2c1 ZINC000057679015 568493838 /nfs/dbraw/zinc/49/38/38/568493838.db2.gz SKBWIFVVLZTUJX-UHFFFAOYSA-N 0 0 410.945 6.207 40 0 HKABRN CC(C)c1ccc2[nH]c(=O)c(CNc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2c1 ZINC000057709778 568495870 /nfs/dbraw/zinc/49/58/70/568495870.db2.gz BEQTYMQJHNUBCQ-UHFFFAOYSA-N 0 0 408.505 5.807 40 0 HKABRN COc1c(C(C)C)cc(NCc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1C(C)C ZINC000057709933 568495934 /nfs/dbraw/zinc/49/59/34/568495934.db2.gz OBIZXLYZQBIAIP-UHFFFAOYSA-N 0 0 422.525 5.167 40 0 HKABRN CCOc1ccc(NCc2cc3ccc(OC)cc3n(Cc3ccccc3)c2=O)cc1 ZINC000057710188 568495862 /nfs/dbraw/zinc/49/58/62/568495862.db2.gz CLYGNYYRSWTZLO-UHFFFAOYSA-N 0 0 414.505 5.069 40 0 HKABRN C[C@@H]1CCCN(c2ccc(NCc3cc4cc(C(C)(C)C)ccc4[nH]c3=O)cc2)C1 ZINC000057712668 568495983 /nfs/dbraw/zinc/49/59/83/568495983.db2.gz PMYBOPZPXAHQIR-GOSISDBHSA-N 0 0 403.570 5.674 40 0 HKABRN C[C@H]1CCCN(c2ccc(NCc3cc4cc(C(C)(C)C)ccc4[nH]c3=O)cc2)C1 ZINC000057712674 568495979 /nfs/dbraw/zinc/49/59/79/568495979.db2.gz PMYBOPZPXAHQIR-SFHVURJKSA-N 0 0 403.570 5.674 40 0 HKABRN CC1CCN(c2ccc(NCc3cc4cc(C(C)(C)C)ccc4[nH]c3=O)cc2)CC1 ZINC000057712744 568495973 /nfs/dbraw/zinc/49/59/73/568495973.db2.gz PDJCLORSCKHPAL-UHFFFAOYSA-N 0 0 403.570 5.674 40 0 HKABRN CC(C)c1ccc2[nH]c(=O)c(CNc3ccc(N4CCc5ccccc5C4)cc3)cc2c1 ZINC000057718164 568496061 /nfs/dbraw/zinc/49/60/61/568496061.db2.gz DHJHDSOAELWPHB-UHFFFAOYSA-N 0 0 423.560 5.826 40 0 HKABRN O=c1[nH]c2cc3c(cc2cc1CNc1ccc(N2CCc4ccccc4C2)cc1)CCC3 ZINC000057718565 568496167 /nfs/dbraw/zinc/49/61/67/568496167.db2.gz WMTFNWDMRABMQX-UHFFFAOYSA-N 0 0 421.544 5.192 40 0 HKABRN CN(c1ccc(NCc2cc3cc4c(cc3[nH]c2=O)CCC4)cc1)C1CCCCC1 ZINC000057718575 568496205 /nfs/dbraw/zinc/49/62/05/568496205.db2.gz YMYPYRQKPJRHPN-UHFFFAOYSA-N 0 0 401.554 5.398 40 0 HKABRN COc1cc2c(cc1OC)CN(Cc1cc3sccc3n1CC1CCCCC1)CC2 ZINC000057719339 558889988 /nfs/dbraw/zinc/88/99/88/558889988.db2.gz DXOOHDCYNDOSKG-UHFFFAOYSA-N 0 0 424.610 5.859 40 0 HKABRN COc1cc2c(cc1OC)CN(Cc1cc3sccc3n1Cc1ccccc1)CC2 ZINC000057719550 568496180 /nfs/dbraw/zinc/49/61/80/568496180.db2.gz FBOIJMRVZLPPFS-UHFFFAOYSA-N 0 0 418.562 5.327 40 0 HKABRN CC(C)(C)c1nn(-c2ccccc2)c2nc3c(cc21)CN(Cc1ccccc1)CCO3 ZINC000057719817 568496121 /nfs/dbraw/zinc/49/61/21/568496121.db2.gz LHPOYNSDXDCSJK-UHFFFAOYSA-N 0 0 412.537 5.113 40 0 HKABRN COc1ccc2c(c1)NC1(CCN(Cc3c(F)cccc3Cl)CC1)c1cccn1-2 ZINC000057719975 568496192 /nfs/dbraw/zinc/49/61/92/568496192.db2.gz JDMBMKIMVWCVHZ-UHFFFAOYSA-N 0 0 411.908 5.195 40 0 HKABRN Cc1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2Cc1ccc(F)cc1 ZINC000057720377 568496109 /nfs/dbraw/zinc/49/61/09/568496109.db2.gz UMZZPRCZISHRTO-UHFFFAOYSA-N 0 0 421.472 5.096 40 0 HKABRN Cc1cc2c(s1)c1cnn(Cc3ccc(F)cc3)c(=O)c1n2Cc1ccc(F)cc1 ZINC000057720385 568496154 /nfs/dbraw/zinc/49/61/54/568496154.db2.gz HVUJEKIZXSSPND-UHFFFAOYSA-N 0 0 421.472 5.096 40 0 HKABRN Cc1cc2c(s1)c1cnn(CCc3ccccc3)c(=O)c1n2Cc1ccc(F)cc1 ZINC000057720402 568496150 /nfs/dbraw/zinc/49/61/50/568496150.db2.gz HPOYBMWNAYGIJL-UHFFFAOYSA-N 0 0 417.509 5.151 40 0 HKABRN CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNc3ccccc3)cc12 ZINC000057720606 568496106 /nfs/dbraw/zinc/49/61/06/568496106.db2.gz AMALSJDKVRBWAD-UHFFFAOYSA-N 0 0 406.917 5.277 40 0 HKABRN Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNc3ccc(C(C)C)cc3)cc12 ZINC000057720693 568496141 /nfs/dbraw/zinc/49/61/41/568496141.db2.gz JUWAUHQBEOYJKL-UHFFFAOYSA-N 0 0 406.917 5.411 40 0 HKABRN Cc1ccc(NCc2cc3c(-c4cccc(F)c4)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000057721123 568496102 /nfs/dbraw/zinc/49/61/02/568496102.db2.gz RAAONXITCYQDQN-UHFFFAOYSA-N 0 0 424.479 5.440 40 0 HKABRN C[C@@H]1CN(Cc2ccccc2F)CCN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000057731482 568496421 /nfs/dbraw/zinc/49/64/21/568496421.db2.gz PAZHIKKWDVNJHJ-QGZVFWFLSA-N 0 0 421.541 5.402 40 0 HKABRN COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@H](c3ccccc3Cl)N1CC2 ZINC000057731780 568496377 /nfs/dbraw/zinc/49/63/77/568496377.db2.gz AUPYCRWVGHSIEF-ZEQRLZLVSA-N 0 0 406.913 5.429 40 0 HKABRN COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@H](c3ccccc3Cl)N1CC2 ZINC000057731784 568496493 /nfs/dbraw/zinc/49/64/93/568496493.db2.gz AUPYCRWVGHSIEF-RPWUZVMVSA-N 0 0 406.913 5.429 40 0 HKABRN COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@@H](c3ccccc3Cl)N1CC2 ZINC000057731788 568496399 /nfs/dbraw/zinc/49/63/99/568496399.db2.gz AUPYCRWVGHSIEF-BJKOFHAPSA-N 0 0 406.913 5.429 40 0 HKABRN COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@@H](c3ccccc3Cl)N1CC2 ZINC000057731793 568496412 /nfs/dbraw/zinc/49/64/12/568496412.db2.gz AUPYCRWVGHSIEF-DNQXCXABSA-N 0 0 406.913 5.429 40 0 HKABRN COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@H](c3cccc(Cl)c3)N1CC2 ZINC000057731797 568496455 /nfs/dbraw/zinc/49/64/55/568496455.db2.gz DZRJWVIGUKIGBT-ZEQRLZLVSA-N 0 0 406.913 5.429 40 0 HKABRN COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@H](c3cccc(Cl)c3)N1CC2 ZINC000057731801 568496435 /nfs/dbraw/zinc/49/64/35/568496435.db2.gz DZRJWVIGUKIGBT-RPWUZVMVSA-N 0 0 406.913 5.429 40 0 HKABRN COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@@H](c3cccc(Cl)c3)N1CC2 ZINC000057731807 568496520 /nfs/dbraw/zinc/49/65/20/568496520.db2.gz DZRJWVIGUKIGBT-BJKOFHAPSA-N 0 0 406.913 5.429 40 0 HKABRN COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@@H](c3cccc(Cl)c3)N1CC2 ZINC000057731811 568496376 /nfs/dbraw/zinc/49/63/76/568496376.db2.gz DZRJWVIGUKIGBT-DNQXCXABSA-N 0 0 406.913 5.429 40 0 HKABRN COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@@H](c3ccc(C(C)C)cc3)N1CC2 ZINC000057731868 568496443 /nfs/dbraw/zinc/49/64/43/568496443.db2.gz NWQZVYPITFSCOZ-RRPNLBNLSA-N 0 0 414.549 5.899 40 0 HKABRN COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@H](c3ccc(C(C)C)cc3)N1CC2 ZINC000057731872 568496396 /nfs/dbraw/zinc/49/63/96/568496396.db2.gz NWQZVYPITFSCOZ-SVBPBHIXSA-N 0 0 414.549 5.899 40 0 HKABRN COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@@H](c3ccc(C(C)C)cc3)N1CC2 ZINC000057731879 568496372 /nfs/dbraw/zinc/49/63/72/568496372.db2.gz NWQZVYPITFSCOZ-KAYWLYCHSA-N 0 0 414.549 5.899 40 0 HKABRN COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@H](c3ccc(C(C)C)cc3)N1CC2 ZINC000057731881 568496453 /nfs/dbraw/zinc/49/64/53/568496453.db2.gz NWQZVYPITFSCOZ-SXOMAYOGSA-N 0 0 414.549 5.899 40 0 HKABRN Cc1c(-c2cccc(C)c2)nn2c1nccc2[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000057739972 568495293 /nfs/dbraw/zinc/49/52/93/568495293.db2.gz FAVIJFKGDFGMDD-LJQANCHMSA-N 0 0 406.530 5.128 40 0 HKABRN Cc1c(-c2cccc(C)c2)nn2c1nccc2[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000057739977 568495243 /nfs/dbraw/zinc/49/52/43/568495243.db2.gz FAVIJFKGDFGMDD-IBGZPJMESA-N 0 0 406.530 5.128 40 0 HKABRN c1csc(-c2cnc(N3CCC(Cc4ccccc4)CC3)nc2-c2nccs2)c1 ZINC000057740531 568495415 /nfs/dbraw/zinc/49/54/15/568495415.db2.gz HQQGGUQHKFYTPR-UHFFFAOYSA-N 0 0 418.591 5.788 40 0 HKABRN Cc1ccc(C(=O)CNc2nnc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)cc1 ZINC000057741991 568495534 /nfs/dbraw/zinc/49/55/34/568495534.db2.gz WQXIKVDOPDJQPP-UHFFFAOYSA-N 0 0 416.431 5.087 40 0 HKABRN CC(C)(C)c1nn(-c2ccccc2)c2nc3c(cc21)CN(C1CCCCC1)C(=O)O3 ZINC000057744290 568495602 /nfs/dbraw/zinc/49/56/02/568495602.db2.gz MDTGNBUXBHFQAT-UHFFFAOYSA-N 0 0 404.514 5.365 40 0 HKABRN c1cc(-c2nnc3nc(-c4ccc(-c5ccccc5)cc4)cn3c2-c2ccoc2)co1 ZINC000057761226 568496764 /nfs/dbraw/zinc/49/67/64/568496764.db2.gz LBFXEXKTZCTOCN-UHFFFAOYSA-N 0 0 404.429 5.978 40 0 HKABRN Cc1cccc(C2(O)CCN(c3nnc(-c4ccccc4)c(-c4ccccc4)n3)CC2)c1 ZINC000057761818 568496904 /nfs/dbraw/zinc/49/69/04/568496904.db2.gz HMNJHFLEDZXGDP-UHFFFAOYSA-N 0 0 422.532 5.002 40 0 HKABRN CCOc1ccccc1CN1[C@@H]2CC[C@H]1Cc1c2cnc2cc(-c3cccc(C)c3)nn21 ZINC000057761858 568496978 /nfs/dbraw/zinc/49/69/78/568496978.db2.gz MJWHENKPTXCOQS-XUZZJYLKSA-N 0 0 424.548 5.365 40 0 HKABRN Fc1ccc(-c2nc(NCc3ccc(C(F)(F)F)cc3)ncc2-c2ncc[nH]2)cc1 ZINC000057761953 568496917 /nfs/dbraw/zinc/49/69/17/568496917.db2.gz OPNDSOHVRUOBOU-UHFFFAOYSA-N 0 0 413.378 5.304 40 0 HKABRN Cn1ccnc1-c1cnc(N2CCC(C(C)(C)C)CC2)nc1-c1ccc(Cl)cc1 ZINC000057761999 568496954 /nfs/dbraw/zinc/49/69/54/568496954.db2.gz AXVVUQYNYLHXIZ-UHFFFAOYSA-N 0 0 409.965 5.460 40 0 HKABRN CC(C)c1cc2cccnc2n1CCc1noc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000057773324 568497755 /nfs/dbraw/zinc/49/77/55/568497755.db2.gz OVORGLAZIWDMOQ-UHFFFAOYSA-N 0 0 400.404 5.471 40 0 HKABRN O=C(Nc1cc2ccccc2nc1C1CCCCC1)c1ccc(Br)cc1 ZINC000057773415 568497662 /nfs/dbraw/zinc/49/76/62/568497662.db2.gz NUNXGKQPVQBBRZ-UHFFFAOYSA-N 0 0 409.327 6.297 40 0 HKABRN CC(C)(C)OC(=O)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3ccccn3)n2)C1 ZINC000057774702 568497401 /nfs/dbraw/zinc/49/74/01/568497401.db2.gz UEHQDCVIJCLGBP-KRWDZBQOSA-N 0 0 417.513 5.007 40 0 HKABRN CC(C)(C)OC(=O)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3ccccn3)n2)C1 ZINC000057774705 568497499 /nfs/dbraw/zinc/49/74/99/568497499.db2.gz UEHQDCVIJCLGBP-QGZVFWFLSA-N 0 0 417.513 5.007 40 0 HKABRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000057774980 568497459 /nfs/dbraw/zinc/49/74/59/568497459.db2.gz FGHGDRZIFBGWMV-HXUWFJFHSA-N 0 0 417.513 5.354 40 0 HKABRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000057774983 568497423 /nfs/dbraw/zinc/49/74/23/568497423.db2.gz FGHGDRZIFBGWMV-FQEVSTJZSA-N 0 0 417.513 5.354 40 0 HKABRN Cc1c2cc(C)ccc2oc1C(=O)Nc1ccc(NC(=O)CN2CCCCC2)c(C)c1 ZINC000057775323 568497430 /nfs/dbraw/zinc/49/74/30/568497430.db2.gz OYEBMWZIWKDELG-UHFFFAOYSA-N 0 0 419.525 5.035 40 0 HKABRN CCc1cc(C(=O)Nc2nc(-c3cn(CCOC)c4ccccc34)cs2)cs1 ZINC000057775347 568497410 /nfs/dbraw/zinc/49/74/10/568497410.db2.gz YUYGPKGANQQSKN-UHFFFAOYSA-N 0 0 411.552 5.287 40 0 HKABRN Cc1cc(-c2csc(NC(=O)C3CN(Cc4ccc(Cl)cc4)C3)n2)c(C)s1 ZINC000057776089 568497562 /nfs/dbraw/zinc/49/75/62/568497562.db2.gz LGZSPEUAWMIGSV-UHFFFAOYSA-N 0 0 417.987 5.212 40 0 HKABRN Cc1ccc(-c2noc(CCC(=O)N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000057781439 558890497 /nfs/dbraw/zinc/89/04/97/558890497.db2.gz ZVCAZALKXOSHSH-UHFFFAOYSA-N 0 0 411.505 5.207 40 0 HKABRN Fc1ccccc1CN(Cc1cccnc1)Cc1ccccc1OCc1ccccn1 ZINC000057796870 558890472 /nfs/dbraw/zinc/89/04/72/558890472.db2.gz LQVVSNHQWPPMFU-UHFFFAOYSA-N 0 0 413.496 5.397 40 0 HKABRN Cc1nn(-c2ccccc2C)c(C)c1CN(Cc1cccs1)Cc1cccnc1 ZINC000057797001 558890489 /nfs/dbraw/zinc/89/04/89/558890489.db2.gz AJFRZACOWLXISG-UHFFFAOYSA-N 0 0 402.567 5.456 40 0 HKABRN COc1ccc(CN(Cc2ccncc2)Cc2cc3ccc(C)cc3nc2OC)cc1 ZINC000057797054 558890483 /nfs/dbraw/zinc/89/04/83/558890483.db2.gz NBAKRWUZVLBAHV-UHFFFAOYSA-N 0 0 413.521 5.158 40 0 HKABRN Cc1ccc2c(c1)c1c3n2CCN(CC(=O)c2ccc(Br)cc2)[C@@H]3CCC1 ZINC000057840353 568498048 /nfs/dbraw/zinc/49/80/48/568498048.db2.gz WIPIKMWZAOSLES-OAQYLSRUSA-N 0 0 423.354 5.288 40 0 HKABRN Cc1ccc2c(c1)c1c3n2CCN(CC(=O)c2ccc(Br)cc2)[C@H]3CCC1 ZINC000057840358 568498053 /nfs/dbraw/zinc/49/80/53/568498053.db2.gz WIPIKMWZAOSLES-NRFANRHFSA-N 0 0 423.354 5.288 40 0 HKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1Cl ZINC000058058934 569352304 /nfs/dbraw/zinc/35/23/04/569352304.db2.gz DLSRGQULUJNSHR-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000058059004 558897240 /nfs/dbraw/zinc/89/72/40/558897240.db2.gz GHQFGAUOMOQYJK-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN O=C1NC(=S)SC1=Cc1cc(Cl)ccc1OCc1cccc2ccccc21 ZINC000058821993 568699716 /nfs/dbraw/zinc/69/97/16/568699716.db2.gz OJKLHYGDVNWCNQ-ODLFYWEKSA-N 0 0 411.935 6.401 40 0 HKABRN O=C(CSc1ccc(F)cc1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000058824240 568699801 /nfs/dbraw/zinc/69/98/01/568699801.db2.gz NULQHYUVKGEFBD-UHFFFAOYSA-N 0 0 423.332 5.443 40 0 HKABRN O=C(CSCc1ccc(Br)cc1)Nc1ccc(Br)cc1 ZINC000058824253 568699693 /nfs/dbraw/zinc/69/96/93/568699693.db2.gz ZSYFJAUYRFNWBG-UHFFFAOYSA-N 0 0 415.150 5.084 40 0 HKABRN O=C(Nc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000058867195 568699376 /nfs/dbraw/zinc/69/93/76/568699376.db2.gz YCBTTZLXQGQGQL-UHFFFAOYSA-N 0 0 408.457 5.984 40 0 HKABRN O=C(Nc1ccccc1)c1c2c(sc1NC(=O)c1ccc(Cl)cc1)CCCC2 ZINC000058886078 568700913 /nfs/dbraw/zinc/70/09/13/568700913.db2.gz UCPHKOBAQFKSMU-UHFFFAOYSA-N 0 0 410.926 5.785 40 0 HKABRN Cc1ccc(NC(=O)c2c(NC(=O)c3ccc(Cl)cc3)sc3c2CCCC3)cc1 ZINC000058886081 568700911 /nfs/dbraw/zinc/70/09/11/568700911.db2.gz NZJHLQMTGHJPBY-UHFFFAOYSA-N 0 0 424.953 6.093 40 0 HKABRN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCCC3)cc1 ZINC000058886086 568700872 /nfs/dbraw/zinc/70/08/72/568700872.db2.gz GHGSWQVYXRKDNY-UHFFFAOYSA-N 0 0 424.953 6.093 40 0 HKABRN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000058886093 568700770 /nfs/dbraw/zinc/70/07/70/568700770.db2.gz XSPOOXYBBACSTQ-UHFFFAOYSA-N 0 0 404.535 5.118 40 0 HKABRN Cc1ccc(NC(=O)c2c3c(sc2NC(=O)c2ccccc2C)CCCC3)cc1 ZINC000058886101 568700849 /nfs/dbraw/zinc/70/08/49/568700849.db2.gz YJEOAJNHSDKRLA-UHFFFAOYSA-N 0 0 404.535 5.748 40 0 HKABRN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 ZINC000058886105 568700787 /nfs/dbraw/zinc/70/07/87/568700787.db2.gz KWCPJEVVMHTWKS-UHFFFAOYSA-N 0 0 424.953 6.093 40 0 HKABRN O=C(CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1)Nc1ccccc1 ZINC000058960118 568700141 /nfs/dbraw/zinc/70/01/41/568700141.db2.gz KGGIVIIPJZVGMR-UHFFFAOYSA-N 0 0 423.847 5.547 40 0 HKABRN Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccccc3F)n2)cc1 ZINC000058960203 568700119 /nfs/dbraw/zinc/70/01/19/568700119.db2.gz ZZPYTVGKRTXXDA-UHFFFAOYSA-N 0 0 421.419 5.341 40 0 HKABRN COc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)cc1 ZINC000059041326 568700129 /nfs/dbraw/zinc/70/01/29/568700129.db2.gz XUDAEYIVQNUWJD-UHFFFAOYSA-N 0 0 406.532 5.850 40 0 HKABRN Cc1ccc(C(=O)CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)cc1 ZINC000059041428 568700132 /nfs/dbraw/zinc/70/01/32/568700132.db2.gz HEGLLYQCVICMFG-UHFFFAOYSA-N 0 0 418.543 5.832 40 0 HKABRN CCOc1cc(CNc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000059056029 568700124 /nfs/dbraw/zinc/70/01/24/568700124.db2.gz ZBQHECYEVPVBLN-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000059056030 568700099 /nfs/dbraw/zinc/70/00/99/568700099.db2.gz YTKUOMZUUYLXSO-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl ZINC000059056031 568700134 /nfs/dbraw/zinc/70/01/34/568700134.db2.gz FRTSHWAYEVMONV-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 ZINC000059056032 568700065 /nfs/dbraw/zinc/70/00/65/568700065.db2.gz KSODVDSYDDDEOD-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN CCOc1cc(CNc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 ZINC000059056034 568700294 /nfs/dbraw/zinc/70/02/94/568700294.db2.gz LEIJXLWIBGGHQU-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN CCOc1cc(CNc2ccccc2Cl)ccc1OCc1ccccc1Cl ZINC000059056035 568700298 /nfs/dbraw/zinc/70/02/98/568700298.db2.gz BHFTXZMYIKOPHQ-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN CCOc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 ZINC000059056168 568700371 /nfs/dbraw/zinc/70/03/71/568700371.db2.gz FWJORVJPMBRUPM-UHFFFAOYSA-N 0 0 411.929 6.329 40 0 HKABRN CCOc1ccc(NCc2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 ZINC000059056169 568700391 /nfs/dbraw/zinc/70/03/91/568700391.db2.gz FWTLFOPDQPTGQP-UHFFFAOYSA-N 0 0 411.929 6.329 40 0 HKABRN CCOc1cc(CNc2ccc(Br)cc2)ccc1OCc1ccccc1 ZINC000059056173 568700381 /nfs/dbraw/zinc/70/03/81/568700381.db2.gz RGIKVNBORFBYFP-UHFFFAOYSA-N 0 0 412.327 6.039 40 0 HKABRN CCOc1cc(CNc2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000059056226 568700289 /nfs/dbraw/zinc/70/02/89/568700289.db2.gz NDNFHYBERMUPKK-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN CCn1c(SCc2cccc3ccccc32)nnc1-c1ccc(NC(C)=O)cc1 ZINC000059099153 568700262 /nfs/dbraw/zinc/70/02/62/568700262.db2.gz PQFCUJPXMFTAAO-UHFFFAOYSA-N 0 0 402.523 5.369 40 0 HKABRN Cc1sc2nc(SCCOc3ccccc3C)n(-c3ccccc3)c(=O)c2c1C ZINC000059109296 568703846 /nfs/dbraw/zinc/70/38/46/568703846.db2.gz SZJQFROOYRDNID-UHFFFAOYSA-N 0 0 422.575 5.544 40 0 HKABRN Cc1sc2nc(SCCOc3ccc(C)cc3)n(-c3ccccc3)c(=O)c2c1C ZINC000059109297 568703923 /nfs/dbraw/zinc/70/39/23/568703923.db2.gz NYFXYDGNFQDCOJ-UHFFFAOYSA-N 0 0 422.575 5.544 40 0 HKABRN Cc1ccc(C(C)C)c(OCCn2cc(C=O)c3cc(Br)ccc32)c1 ZINC000059109396 568703840 /nfs/dbraw/zinc/70/38/40/568703840.db2.gz SEIUSDSHDATQSH-UHFFFAOYSA-N 0 0 400.316 5.727 40 0 HKABRN O=C(c1cn(CCOc2ccccc2)c2ccc(Br)cc12)C(F)(F)F ZINC000059109415 568703766 /nfs/dbraw/zinc/70/37/66/568703766.db2.gz FAYXJUIHUUYNHV-UHFFFAOYSA-N 0 0 412.205 5.228 40 0 HKABRN O=C(c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12)C(F)(F)F ZINC000059109423 568703787 /nfs/dbraw/zinc/70/37/87/568703787.db2.gz HBODXQPOTZLNHT-UHFFFAOYSA-N 0 0 416.624 5.851 40 0 HKABRN O=C(c1cn(Cc2ccccc2F)c2ccc(Br)cc12)C(F)(F)F ZINC000059109426 568703905 /nfs/dbraw/zinc/70/39/05/568703905.db2.gz ZCWHXEPJJCWGPR-UHFFFAOYSA-N 0 0 400.169 5.336 40 0 HKABRN Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000059109441 568703779 /nfs/dbraw/zinc/70/37/79/568703779.db2.gz USWWPXRVQHTILX-UHFFFAOYSA-N 0 0 408.807 5.295 40 0 HKABRN Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)Nc1cccc(Cl)c1C ZINC000059109442 568703794 /nfs/dbraw/zinc/70/37/94/568703794.db2.gz CLURSKAPFMDCNK-UHFFFAOYSA-N 0 0 408.807 5.295 40 0 HKABRN Cc1ccccc1OCCCSc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000059109462 568703929 /nfs/dbraw/zinc/70/39/29/568703929.db2.gz YZJKIGCUXYTDSU-UHFFFAOYSA-N 0 0 402.519 5.255 40 0 HKABRN O=c1c2ccccc2nc(SCCCOc2ccccc2Cl)n1-c1ccccc1 ZINC000059109463 568703790 /nfs/dbraw/zinc/70/37/90/568703790.db2.gz ZEZQANXFDFWHPE-UHFFFAOYSA-N 0 0 422.937 5.600 40 0 HKABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3C(C)C)o2)c1C ZINC000059176092 568701908 /nfs/dbraw/zinc/70/19/08/568701908.db2.gz NBHRMNIZDNFGJI-UHFFFAOYSA-N 0 0 411.527 5.120 40 0 HKABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)c1C ZINC000059176109 568701944 /nfs/dbraw/zinc/70/19/44/568701944.db2.gz KPKWOSBZMSRYKK-UHFFFAOYSA-N 0 0 419.506 5.149 40 0 HKABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)o2)c1C ZINC000059176150 568701889 /nfs/dbraw/zinc/70/18/89/568701889.db2.gz YGZGYUIRBCWQAI-UHFFFAOYSA-N 0 0 411.527 5.120 40 0 HKABRN Cc1cccc(OCc2nnc(SCc3ccc(Cl)cc3Cl)n2C)c1C ZINC000059176368 568702198 /nfs/dbraw/zinc/70/21/98/568702198.db2.gz GFODYBYATFLMHJ-UHFFFAOYSA-N 0 0 408.354 5.610 40 0 HKABRN CCn1c(COc2cccc(C)c2C)nnc1SCc1ccc(Cl)cc1Cl ZINC000059176496 568702232 /nfs/dbraw/zinc/70/22/32/568702232.db2.gz DCNAHEUYKFZAAG-UHFFFAOYSA-N 0 0 422.381 6.093 40 0 HKABRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccccc3C)o2)c1 ZINC000059179493 568702048 /nfs/dbraw/zinc/70/20/48/568702048.db2.gz OWIOGMWCRBEQCB-UHFFFAOYSA-N 0 0 411.527 5.120 40 0 HKABRN Cc1cccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)o2)c1 ZINC000059179495 568702179 /nfs/dbraw/zinc/70/21/79/568702179.db2.gz IBEYHFZJKBXTNC-UHFFFAOYSA-N 0 0 411.527 5.120 40 0 HKABRN Cc1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)o2)cc1 ZINC000059179498 568702105 /nfs/dbraw/zinc/70/21/05/568702105.db2.gz UKMUSZJOXJHMTJ-UHFFFAOYSA-N 0 0 411.527 5.120 40 0 HKABRN Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccc(Cl)c(Cl)c3)o2)c1 ZINC000059179718 568702227 /nfs/dbraw/zinc/70/22/27/568702227.db2.gz ALYMCNNNHPMAPM-UHFFFAOYSA-N 0 0 423.365 6.680 40 0 HKABRN Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccc(Cl)cc3Cl)o2)c1 ZINC000059179721 568702117 /nfs/dbraw/zinc/70/21/17/568702117.db2.gz JTZSAGXQYHKZBM-UHFFFAOYSA-N 0 0 423.365 6.680 40 0 HKABRN Cc1cc(OCCSc2nc3ccccc3c(=O)n2-c2ccccc2)ccc1Cl ZINC000059182130 568702164 /nfs/dbraw/zinc/70/21/64/568702164.db2.gz IEUHLYYLLBJYDA-UHFFFAOYSA-N 0 0 422.937 5.519 40 0 HKABRN O=c1c2ccccc2nc(SCCOc2cccc3ccccc32)n1-c1ccccc1 ZINC000059182413 568702251 /nfs/dbraw/zinc/70/22/51/568702251.db2.gz ASXNCZNJXZIRDT-UHFFFAOYSA-N 0 0 424.525 5.710 40 0 HKABRN S=C(c1cn(CCOc2cccc3ccccc32)c2ccccc12)N1CCCCC1 ZINC000059182456 568702172 /nfs/dbraw/zinc/70/21/72/568702172.db2.gz XFBLJKOLXWAAON-UHFFFAOYSA-N 0 0 414.574 6.035 40 0 HKABRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000059186102 568702081 /nfs/dbraw/zinc/70/20/81/568702081.db2.gz VDBAYZBILZXPHP-JAIQZWGSSA-N 0 0 413.370 5.916 40 0 HKABRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000059186106 568702102 /nfs/dbraw/zinc/70/21/02/568702102.db2.gz JGBCJMUDJHMRGS-ZROIWOOFSA-N 0 0 424.205 6.765 40 0 HKABRN Cc1cccc(COc2ccc(/C=C3\C(=O)Nc4cc(C(F)(F)F)ccc43)cc2)c1 ZINC000059186111 568702190 /nfs/dbraw/zinc/70/21/90/568702190.db2.gz MLDCFYGMRXVNSH-MTJSOVHGSA-N 0 0 409.407 6.086 40 0 HKABRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2cccc(F)c2)cc1 ZINC000059186122 568702140 /nfs/dbraw/zinc/70/21/40/568702140.db2.gz AACWVCFMALZETO-JAIQZWGSSA-N 0 0 413.370 5.916 40 0 HKABRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2ccccc2F)cc1 ZINC000059186123 568702211 /nfs/dbraw/zinc/70/22/11/568702211.db2.gz BCALBZZFHSQILN-ODLFYWEKSA-N 0 0 413.370 5.916 40 0 HKABRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000059186132 568702264 /nfs/dbraw/zinc/70/22/64/568702264.db2.gz YQXCRNYFYURKLB-ZROIWOOFSA-N 0 0 424.205 6.765 40 0 HKABRN COc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)ccc1OCc1ccccc1 ZINC000059195137 568702569 /nfs/dbraw/zinc/70/25/69/568702569.db2.gz YFTWHSPWQMWOPU-NDENLUEZSA-N 0 0 419.864 5.272 40 0 HKABRN O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccccc1OCc1ccc(Cl)cc1 ZINC000059195154 568702309 /nfs/dbraw/zinc/70/23/09/568702309.db2.gz DJKSHHXYIDSJJX-MOSHPQCFSA-N 0 0 424.283 5.917 40 0 HKABRN O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccccc1OCc1ccc(F)cc1 ZINC000059195157 568702325 /nfs/dbraw/zinc/70/23/25/568702325.db2.gz CWTPSZXKUCAILT-MOSHPQCFSA-N 0 0 407.828 5.403 40 0 HKABRN O=C1OC(c2cccc(F)c2)=N/C1=C/c1cccc(OCc2cccc3ccccc32)c1 ZINC000059195277 568702319 /nfs/dbraw/zinc/70/23/19/568702319.db2.gz GKEYOCKIUGJEHB-MFKUBSTISA-N 0 0 423.443 5.902 40 0 HKABRN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 ZINC000059195332 568702441 /nfs/dbraw/zinc/70/24/41/568702441.db2.gz ZCTXCNSZKYFJQJ-BKUYFWCQSA-N 0 0 407.828 5.403 40 0 HKABRN Cc1ccc(COc2ccccc2/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000059195375 568702299 /nfs/dbraw/zinc/70/22/99/568702299.db2.gz RAGLFBPJJJLBKD-STZFKDTASA-N 0 0 403.865 5.572 40 0 HKABRN Cc1cccc(COc2ccc(/C=C3\N=C(c4ccc(Cl)cc4)OC3=O)cc2)c1 ZINC000059195396 568702438 /nfs/dbraw/zinc/70/24/38/568702438.db2.gz AGUNPCRNJOQTRD-HMAPJEAMSA-N 0 0 403.865 5.572 40 0 HKABRN C[C@H]1CCC[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@@]21C ZINC000059200452 569053792 /nfs/dbraw/zinc/05/37/92/569053792.db2.gz KVSNMTUIMXZPLU-XOZXFAFYSA-N 0 0 412.746 9.278 40 0 in-vitro HKABRN O=C1NC(=S)SC1=Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000059201141 568702693 /nfs/dbraw/zinc/70/26/93/568702693.db2.gz ALUIXTRYQLOMQD-IUXPMGMMSA-N 0 0 402.903 5.811 40 0 HKABRN CC(C)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000059210980 558932492 /nfs/dbraw/zinc/93/24/92/558932492.db2.gz TXFYKJBWIITZLP-UHFFFAOYSA-N 0 0 404.348 5.888 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)c(Br)c1 ZINC000059210984 558932420 /nfs/dbraw/zinc/93/24/20/558932420.db2.gz HHIQWDOARIVKNZ-UHFFFAOYSA-N 0 0 410.739 5.095 40 0 HKABRN CCCCc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000059210989 558932484 /nfs/dbraw/zinc/93/24/84/558932484.db2.gz QCNKDQZRCUWRDI-UHFFFAOYSA-N 0 0 418.375 6.107 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)COc1ccc2ccccc2c1Br ZINC000059210995 558932482 /nfs/dbraw/zinc/93/24/82/558932482.db2.gz PXWSPTUYFCQQNM-UHFFFAOYSA-N 0 0 420.690 5.282 40 0 HKABRN Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccc(C)cc4)o3)n2)cc1 ZINC000059212644 568702773 /nfs/dbraw/zinc/70/27/73/568702773.db2.gz DPXZIXSTFGYGMH-UHFFFAOYSA-N 0 0 422.535 5.208 40 0 HKABRN O=C(Nc1ccccc1Sc1ccccc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000059241790 568703029 /nfs/dbraw/zinc/70/30/29/568703029.db2.gz YHZRSCVQORYRAU-HIXSDJFHSA-N 0 0 407.538 7.017 40 0 HKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1Sc1ccccc1 ZINC000059241859 568702949 /nfs/dbraw/zinc/70/29/49/568702949.db2.gz XBHIZXMFUGFOQR-UHFFFAOYSA-N 0 0 404.318 6.162 40 0 HKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1C ZINC000059267804 568703464 /nfs/dbraw/zinc/70/34/64/568703464.db2.gz LEHAKTHLQKDKBX-UHFFFAOYSA-N 0 0 408.310 5.391 40 0 HKABRN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000059267859 568703434 /nfs/dbraw/zinc/70/34/34/568703434.db2.gz NKKTYBGNHKIJAZ-UHFFFAOYSA-N 0 0 408.310 5.391 40 0 HKABRN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000059267866 568703458 /nfs/dbraw/zinc/70/34/58/568703458.db2.gz PSUPLBYMKTWCHT-UHFFFAOYSA-N 0 0 408.310 5.391 40 0 HKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)c(C)c1 ZINC000059267935 568703366 /nfs/dbraw/zinc/70/33/66/568703366.db2.gz FIPRRGIVHAIZIU-UHFFFAOYSA-N 0 0 408.310 5.391 40 0 HKABRN CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000059268018 568703385 /nfs/dbraw/zinc/70/33/85/568703385.db2.gz BNJBJIBQFOHVJA-UHFFFAOYSA-N 0 0 408.310 5.337 40 0 HKABRN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000059268026 568703481 /nfs/dbraw/zinc/70/34/81/568703481.db2.gz SIPGOYOILHELCP-UHFFFAOYSA-N 0 0 408.310 5.391 40 0 HKABRN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000059268034 568703419 /nfs/dbraw/zinc/70/34/19/568703419.db2.gz UISANLNQNTULME-UHFFFAOYSA-N 0 0 424.309 5.173 40 0 HKABRN Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000059268230 568703455 /nfs/dbraw/zinc/70/34/55/568703455.db2.gz AQQBHJFOTPUYMN-UHFFFAOYSA-N 0 0 412.273 5.222 40 0 HKABRN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1Cl ZINC000059268828 568703448 /nfs/dbraw/zinc/70/34/48/568703448.db2.gz FXHRMYNRZPAVKQ-UHFFFAOYSA-N 0 0 414.701 5.428 40 0 HKABRN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc(Cl)c1 ZINC000059268848 568703483 /nfs/dbraw/zinc/70/34/83/568703483.db2.gz SHGAJWOARZDPME-UHFFFAOYSA-N 0 0 414.701 5.428 40 0 HKABRN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(Cl)cc1 ZINC000059268867 568703479 /nfs/dbraw/zinc/70/34/79/568703479.db2.gz PXJMEQZPVFKBLU-UHFFFAOYSA-N 0 0 414.701 5.428 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000059289890 558933499 /nfs/dbraw/zinc/93/34/99/558933499.db2.gz FEDWDDOVNURXTD-UHFFFAOYSA-N 0 0 403.103 5.552 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000059289891 558933530 /nfs/dbraw/zinc/93/35/30/558933530.db2.gz UXIRABSEMHHDAT-UHFFFAOYSA-N 0 0 422.912 5.066 40 0 HKABRN O=C(CCSc1ccc(Cl)cc1)Nc1ccc(I)cc1 ZINC000059291573 568703397 /nfs/dbraw/zinc/70/33/97/568703397.db2.gz WGRPBFJJHYCQFW-UHFFFAOYSA-N 0 0 417.699 5.066 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc5nsnc5c4)ccc3o2)c(C)c1 ZINC000059294023 568703411 /nfs/dbraw/zinc/70/34/11/568703411.db2.gz ZBSBKWCURHONEE-UHFFFAOYSA-N 0 0 400.463 5.369 40 0 HKABRN Cc1ccccc1C(=O)Nc1cccc2c(Cl)c(C(=O)NC(C)(C)C)sc21 ZINC000059294032 568703430 /nfs/dbraw/zinc/70/34/30/568703430.db2.gz XQDRZNXEYWVORL-UHFFFAOYSA-N 0 0 400.931 5.644 40 0 HKABRN CCCCc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)cc1 ZINC000059294089 568703616 /nfs/dbraw/zinc/70/36/16/568703616.db2.gz HHNWUOVWBNZMPK-BMRADRMJSA-N 0 0 404.535 5.816 40 0 HKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000059294098 568703674 /nfs/dbraw/zinc/70/36/74/568703674.db2.gz CZPFPQFOOWBUKW-UHFFFAOYSA-N 0 0 403.103 5.552 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc5nsnc5c4)ccc3o2)cc1Cl ZINC000059294115 568703574 /nfs/dbraw/zinc/70/35/74/568703574.db2.gz MDTUTRRFODCKBP-UHFFFAOYSA-N 0 0 420.881 5.714 40 0 HKABRN COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)c(OC)c1 ZINC000059294161 568703639 /nfs/dbraw/zinc/70/36/39/568703639.db2.gz SYBJXSUXKBZBPB-UHFFFAOYSA-N 0 0 416.477 5.690 40 0 HKABRN Cc1ccc(C(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc32)cc1C ZINC000059294219 568703599 /nfs/dbraw/zinc/70/35/99/568703599.db2.gz JSDXAMFOODQAMN-UHFFFAOYSA-N 0 0 414.958 5.952 40 0 HKABRN O=C(Nc1c2nsnc2ccc1Cl)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000059294320 568703688 /nfs/dbraw/zinc/70/36/88/568703688.db2.gz MXZALFJWNCKEQR-UHFFFAOYSA-N 0 0 424.696 6.164 40 0 HKABRN COc1cccc(C(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc32)c1 ZINC000059294327 568703677 /nfs/dbraw/zinc/70/36/77/568703677.db2.gz OGZNIYCDYCUMJL-UHFFFAOYSA-N 0 0 416.930 5.344 40 0 HKABRN Cc1cc(Br)ccc1NC(=O)C(C)(C)Oc1ccc(C(C)(C)C)cc1 ZINC000059294368 568703629 /nfs/dbraw/zinc/70/36/29/568703629.db2.gz GNCRBEUWGNPAPW-UHFFFAOYSA-N 0 0 404.348 5.851 40 0 HKABRN O=C(Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1ccc2nsnc2c1 ZINC000059294376 568703577 /nfs/dbraw/zinc/70/35/77/568703577.db2.gz XORSKVAGAZVCTN-UHFFFAOYSA-N 0 0 422.469 5.905 40 0 HKABRN Cc1ccc2c(cccc2NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)n1 ZINC000059294381 568703655 /nfs/dbraw/zinc/70/36/55/568703655.db2.gz MTURSWOQTQUPKF-JXMROGBWSA-N 0 0 416.333 5.376 40 0 HKABRN Cc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)cc(C)c1I ZINC000059294409 568703635 /nfs/dbraw/zinc/70/36/35/568703635.db2.gz ADQFAANOYRDSEB-VMPITWQZSA-N 0 0 411.670 5.213 40 0 HKABRN O=C(NC(=S)Nc1c2nsnc2ccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000059294432 568703544 /nfs/dbraw/zinc/70/35/44/568703544.db2.gz DAFITSWMOAXWMU-UHFFFAOYSA-N 0 0 424.938 5.139 40 0 HKABRN O=C(Nc1c2nsnc2ccc1Cl)c1cc(Br)ccc1Cl ZINC000059294440 568703684 /nfs/dbraw/zinc/70/36/84/568703684.db2.gz GWIOPQCXIFUACU-UHFFFAOYSA-N 0 0 403.088 5.013 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000059294453 568703680 /nfs/dbraw/zinc/70/36/80/568703680.db2.gz UTNZQMGFNYFHLH-YRNVUSSQSA-N 0 0 415.301 6.515 40 0 HKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000059294591 568703769 /nfs/dbraw/zinc/70/37/69/568703769.db2.gz HOKBYBOBXKQGJJ-UHFFFAOYSA-N 0 0 402.210 5.264 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000059294615 568703775 /nfs/dbraw/zinc/70/37/75/568703775.db2.gz JCUJFAMMEYUGHS-WYMLVPIESA-N 0 0 414.486 5.912 40 0 HKABRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)/C=C/c2ccco2)c1Cl ZINC000059294636 568703796 /nfs/dbraw/zinc/70/37/96/568703796.db2.gz HRNXJCLQYOZLBK-MDZDMXLPSA-N 0 0 402.903 5.328 40 0 HKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccc(C)c(C)c4)c3)nc2c1 ZINC000059312965 568705208 /nfs/dbraw/zinc/70/52/08/568705208.db2.gz CHQZKYZFQPCJQB-UHFFFAOYSA-N 0 0 400.478 5.746 40 0 HKABRN Cc1ccc(CSCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000059314608 568705233 /nfs/dbraw/zinc/70/52/33/568705233.db2.gz YCQLXBKPFCDYMI-UHFFFAOYSA-N 0 0 418.587 6.452 40 0 HKABRN CC(C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000059323319 558934045 /nfs/dbraw/zinc/93/40/45/558934045.db2.gz XKYBZYIILAXPAF-UHFFFAOYSA-N 0 0 411.354 5.004 40 0 HKABRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000059332087 568705089 /nfs/dbraw/zinc/70/50/89/568705089.db2.gz UPBFDZFQUAHPIL-UHFFFAOYSA-N 0 0 413.304 5.484 40 0 HKABRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000059341816 568705204 /nfs/dbraw/zinc/70/52/04/568705204.db2.gz MWVIKTRAGCLSJX-UHFFFAOYSA-N 0 0 413.304 5.484 40 0 HKABRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000059342203 568705153 /nfs/dbraw/zinc/70/51/53/568705153.db2.gz UYYSDYRUNYVAGT-UHFFFAOYSA-N 0 0 400.522 5.475 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000059344144 558934380 /nfs/dbraw/zinc/93/43/80/558934380.db2.gz BPJSZLGSIVGFRL-UHFFFAOYSA-N 0 0 414.933 5.199 40 0 HKABRN CCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000059345950 558934430 /nfs/dbraw/zinc/93/44/30/558934430.db2.gz KKBQNVZEFQTBIK-UHFFFAOYSA-N 0 0 411.354 5.005 40 0 HKABRN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000059364325 568705253 /nfs/dbraw/zinc/70/52/53/568705253.db2.gz GMCKGQCOBDPNPS-UHFFFAOYSA-N 0 0 407.244 5.068 40 0 HKABRN CC(C)CCc1ccc2c(N)c(C(=O)c3ccc(Br)cc3)sc2n1 ZINC000059367438 558934608 /nfs/dbraw/zinc/93/46/08/558934608.db2.gz QGBQWWFKWRAJCT-UHFFFAOYSA-N 0 0 403.345 5.461 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1 ZINC000059400826 558935336 /nfs/dbraw/zinc/93/53/36/558935336.db2.gz MHUXTLAZTAVFQN-UHFFFAOYSA-N 0 0 409.329 6.644 40 0 HKABRN Clc1ccc(COc2ccc([C@H]3NN=C(c4ccccc4)S3)cc2)cc1Cl ZINC000059409051 568705435 /nfs/dbraw/zinc/70/54/35/568705435.db2.gz ZDSHYNQYRTZVGY-NRFANRHFSA-N 0 0 415.345 6.269 40 0 HKABRN Clc1ccc(COc2ccc([C@@H]3NN=C(c4ccccc4)S3)cc2)cc1Cl ZINC000059409054 568705420 /nfs/dbraw/zinc/70/54/20/568705420.db2.gz ZDSHYNQYRTZVGY-OAQYLSRUSA-N 0 0 415.345 6.269 40 0 HKABRN Clc1ccc(COc2ccc([C@H]3NN=C(c4ccccc4)S3)cc2)c(Cl)c1 ZINC000059409057 568705463 /nfs/dbraw/zinc/70/54/63/568705463.db2.gz KMZOHGHYTGVBRH-NRFANRHFSA-N 0 0 415.345 6.269 40 0 HKABRN Clc1ccc(COc2ccc([C@@H]3NN=C(c4ccccc4)S3)cc2)c(Cl)c1 ZINC000059409061 568705539 /nfs/dbraw/zinc/70/55/39/568705539.db2.gz KMZOHGHYTGVBRH-OAQYLSRUSA-N 0 0 415.345 6.269 40 0 HKABRN COc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(Cl)cc1 ZINC000059409146 568705474 /nfs/dbraw/zinc/70/54/74/568705474.db2.gz HKIZLSSZJVAXNP-JOCHJYFZSA-N 0 0 410.926 5.624 40 0 HKABRN COc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(Cl)cc1 ZINC000059409149 568705530 /nfs/dbraw/zinc/70/55/30/568705530.db2.gz HKIZLSSZJVAXNP-QFIPXVFZSA-N 0 0 410.926 5.624 40 0 HKABRN COc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccccc1Cl ZINC000059409204 568705482 /nfs/dbraw/zinc/70/54/82/568705482.db2.gz JIDMNACFHUORBR-JOCHJYFZSA-N 0 0 410.926 5.624 40 0 HKABRN COc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccccc1Cl ZINC000059409209 568705441 /nfs/dbraw/zinc/70/54/41/568705441.db2.gz JIDMNACFHUORBR-QFIPXVFZSA-N 0 0 410.926 5.624 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1OC[C@@H]1CCCO1)c1cccc2ccccc21 ZINC000059417104 568705708 /nfs/dbraw/zinc/70/57/08/568705708.db2.gz ZQKXPLVGLDOMPP-KRWDZBQOSA-N 0 0 415.411 5.669 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1OC[C@H]1CCCO1)c1cccc2ccccc21 ZINC000059417105 568705764 /nfs/dbraw/zinc/70/57/64/568705764.db2.gz ZQKXPLVGLDOMPP-QGZVFWFLSA-N 0 0 415.411 5.669 40 0 HKABRN O=C(Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000059417201 568705761 /nfs/dbraw/zinc/70/57/61/568705761.db2.gz VRFQDRKZUMABDA-UHFFFAOYSA-N 0 0 409.766 6.543 40 0 HKABRN O=C(COc1ccccc1)Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000059417204 568705724 /nfs/dbraw/zinc/70/57/24/568705724.db2.gz KDDYKHAEVAWIMA-UHFFFAOYSA-N 0 0 405.347 5.654 40 0 HKABRN O=C(COc1ccc(F)cc1)Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000059417205 568705728 /nfs/dbraw/zinc/70/57/28/568705728.db2.gz CPTSCDICLITSER-UHFFFAOYSA-N 0 0 423.337 5.793 40 0 HKABRN O=C(COc1ccccc1F)Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000059417206 568705782 /nfs/dbraw/zinc/70/57/82/568705782.db2.gz SSPIJDWMHZWEEC-UHFFFAOYSA-N 0 0 423.337 5.793 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc(Oc3ccc(F)cc3)c(C(F)(F)F)c2)cc1 ZINC000059417208 568705702 /nfs/dbraw/zinc/70/57/02/568705702.db2.gz FSVJHCVKBGQVGH-UHFFFAOYSA-N 0 0 419.374 5.963 40 0 HKABRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000059417215 568705699 /nfs/dbraw/zinc/70/56/99/568705699.db2.gz PNYRACYDQHXYMS-UHFFFAOYSA-N 0 0 409.766 6.543 40 0 HKABRN Cc1cc(C)cc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(C(F)(F)F)c2)c1 ZINC000059417221 568705748 /nfs/dbraw/zinc/70/57/48/568705748.db2.gz IRQYFSQCZRBBPB-UHFFFAOYSA-N 0 0 419.830 7.020 40 0 HKABRN Cc1[nH]c2ccccc2c1CSc1nnc(-c2ccc(Cl)cc2Cl)n1C ZINC000059417501 568705804 /nfs/dbraw/zinc/70/58/04/568705804.db2.gz QMXJRNQUKIIYIX-UHFFFAOYSA-N 0 0 403.338 5.871 40 0 HKABRN O=C(/C=C/c1ccccc1)Nc1ccc2nc(SCc3ccccn3)sc2c1 ZINC000059417558 568705678 /nfs/dbraw/zinc/70/56/78/568705678.db2.gz JIEIQYPLVSYXIN-FMIVXFBMSA-N 0 0 403.532 5.636 40 0 HKABRN O=C(CCc1ccccc1)Nc1ccc2nc(SCc3ccccn3)sc2c1 ZINC000059417559 568705834 /nfs/dbraw/zinc/70/58/34/568705834.db2.gz HQWRFIOKZTVEOR-UHFFFAOYSA-N 0 0 405.548 5.555 40 0 HKABRN COc1ccccc1C(=O)Nc1ccc2nc(SCc3ccccn3)sc2c1 ZINC000059417562 568705826 /nfs/dbraw/zinc/70/58/26/568705826.db2.gz FCMZRPCDQKICCK-UHFFFAOYSA-N 0 0 407.520 5.245 40 0 HKABRN O=C(Nc1ccc2nc(SCc3ccccn3)sc2c1)c1ccc(Cl)cc1 ZINC000059417568 568705679 /nfs/dbraw/zinc/70/56/79/568705679.db2.gz GLGVVMFWDUSKHT-UHFFFAOYSA-N 0 0 411.939 5.889 40 0 HKABRN O=C(Nc1ccc2nc(SCc3ccccn3)sc2c1)c1ccccc1Cl ZINC000059417570 568705696 /nfs/dbraw/zinc/70/56/96/568705696.db2.gz VXTHZTNRVQKATF-UHFFFAOYSA-N 0 0 411.939 5.889 40 0 HKABRN O=C1S/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1c1ccccc1 ZINC000059418137 568705962 /nfs/dbraw/zinc/70/59/62/568705962.db2.gz FTIIHQCNLZRQHO-KGENOOAVSA-N 0 0 405.450 5.646 40 0 HKABRN O=C1S/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1c1ccccc1 ZINC000059418138 568706038 /nfs/dbraw/zinc/70/60/38/568706038.db2.gz ORCJBJAQYHVXBZ-KGENOOAVSA-N 0 0 405.450 5.646 40 0 HKABRN O=C1S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1c1ccccc1 ZINC000059418139 568706003 /nfs/dbraw/zinc/70/60/03/568706003.db2.gz RTBFWLQBFFNZBV-KGENOOAVSA-N 0 0 405.450 5.646 40 0 HKABRN O=C1S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1c1ccccc1 ZINC000059418140 568706087 /nfs/dbraw/zinc/70/60/87/568706087.db2.gz BBTFDJBNOHNPRV-KGENOOAVSA-N 0 0 405.450 5.646 40 0 HKABRN O=C1S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccccc1 ZINC000059418141 568705995 /nfs/dbraw/zinc/70/59/95/568705995.db2.gz QXZKHWKDOHXTRP-KGENOOAVSA-N 0 0 405.450 5.646 40 0 HKABRN O=C1S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1c1ccccc1 ZINC000059418142 568705953 /nfs/dbraw/zinc/70/59/53/568705953.db2.gz GTJNBRRAXBFCRU-KGENOOAVSA-N 0 0 405.450 5.646 40 0 HKABRN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(c4ccccc4)C3=O)o2)cc1 ZINC000059418145 568706030 /nfs/dbraw/zinc/70/60/30/568706030.db2.gz GTIDIGHHQNCEOF-XSFVSMFZSA-N 0 0 419.458 5.364 40 0 HKABRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)c(C)c1 ZINC000059418678 568706266 /nfs/dbraw/zinc/70/62/66/568706266.db2.gz OZDWSPXPSIHEDB-VUUXHMSQSA-N 0 0 413.904 5.051 40 0 HKABRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)c(C)c1 ZINC000059418680 568706198 /nfs/dbraw/zinc/70/61/98/568706198.db2.gz OZDWSPXPSIHEDB-ZQFKLAOWSA-N 0 0 413.904 5.051 40 0 HKABRN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)c(C)c1 ZINC000059418682 568706351 /nfs/dbraw/zinc/70/63/51/568706351.db2.gz OZDWSPXPSIHEDB-QQNJPBSNSA-N 0 0 413.904 5.051 40 0 HKABRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)c(C)c1 ZINC000059418683 568706274 /nfs/dbraw/zinc/70/62/74/568706274.db2.gz OZDWSPXPSIHEDB-FGEXJBCWSA-N 0 0 413.904 5.051 40 0 HKABRN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1Cl)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000059418711 568706216 /nfs/dbraw/zinc/70/62/16/568706216.db2.gz BGDAPEIECKMUJJ-YQORSWRPSA-N 0 0 420.295 5.087 40 0 HKABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Cl)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000059418712 568706256 /nfs/dbraw/zinc/70/62/56/568706256.db2.gz BGDAPEIECKMUJJ-ISQHLFTMSA-N 0 0 420.295 5.087 40 0 HKABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Cl)C1c3ccccc3C2(Cl)c2ccccc21 ZINC000059418713 568706237 /nfs/dbraw/zinc/70/62/37/568706237.db2.gz BGDAPEIECKMUJJ-CAZKKTPXSA-N 0 0 420.295 5.087 40 0 HKABRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1Cl)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000059418714 568706188 /nfs/dbraw/zinc/70/61/88/568706188.db2.gz BGDAPEIECKMUJJ-ZRDDSIGQSA-N 0 0 420.295 5.087 40 0 HKABRN Cc1ccc(N[C@H]2C[C@H](C)N(C(=O)c3ccc(Cl)cc3)c3cc(C)ccc32)cc1 ZINC000059428156 568706513 /nfs/dbraw/zinc/70/65/13/568706513.db2.gz CPLDFEAZZPSMOQ-MBSDFSHPSA-N 0 0 404.941 6.549 40 0 HKABRN Cc1ccc(N[C@@H]2C[C@@H](C)N(C(=O)c3ccc(Cl)cc3)c3cc(C)ccc32)cc1 ZINC000059428158 568706536 /nfs/dbraw/zinc/70/65/36/568706536.db2.gz CPLDFEAZZPSMOQ-WZONZLPQSA-N 0 0 404.941 6.549 40 0 HKABRN Cc1ccc(N[C@H]2C[C@@H](C)N(C(=O)c3ccc(Cl)cc3)c3cc(C)ccc32)cc1 ZINC000059428163 568706478 /nfs/dbraw/zinc/70/64/78/568706478.db2.gz CPLDFEAZZPSMOQ-JPYJTQIMSA-N 0 0 404.941 6.549 40 0 HKABRN C[C@@H]1C[C@H](N(C(=O)C(C)(C)C)c2ccccc2)c2ccccc2N1C(=O)C(C)(C)C ZINC000059428171 568706464 /nfs/dbraw/zinc/70/64/64/568706464.db2.gz YLZNMSCLZSJKEJ-GCJKJVERSA-N 0 0 406.570 5.978 40 0 HKABRN C[C@H]1C[C@H](N(C(=O)C(C)(C)C)c2ccccc2)c2ccccc2N1C(=O)C(C)(C)C ZINC000059428172 568706501 /nfs/dbraw/zinc/70/65/01/568706501.db2.gz YLZNMSCLZSJKEJ-AVRDEDQJSA-N 0 0 406.570 5.978 40 0 HKABRN C[C@@H]1C[C@@H](N(C(=O)C(C)(C)C)c2ccccc2)c2ccccc2N1C(=O)C(C)(C)C ZINC000059428174 568706441 /nfs/dbraw/zinc/70/64/41/568706441.db2.gz YLZNMSCLZSJKEJ-XMSQKQJNSA-N 0 0 406.570 5.978 40 0 HKABRN C[C@H]1C[C@@H](N(C(=O)C(C)(C)C)c2ccccc2)c2ccccc2N1C(=O)C(C)(C)C ZINC000059428175 568706438 /nfs/dbraw/zinc/70/64/38/568706438.db2.gz YLZNMSCLZSJKEJ-PGRDOPGGSA-N 0 0 406.570 5.978 40 0 HKABRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 ZINC000059433421 568706457 /nfs/dbraw/zinc/70/64/57/568706457.db2.gz MGHRHDBICUBGPV-MSVKLTOBSA-N 0 0 407.513 5.264 40 0 HKABRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 ZINC000059433423 568706474 /nfs/dbraw/zinc/70/64/74/568706474.db2.gz MGHRHDBICUBGPV-QDBPJBAASA-N 0 0 407.513 5.264 40 0 HKABRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 ZINC000059433424 568706433 /nfs/dbraw/zinc/70/64/33/568706433.db2.gz MGHRHDBICUBGPV-GMMLXXJASA-N 0 0 407.513 5.264 40 0 HKABRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 ZINC000059433426 568706446 /nfs/dbraw/zinc/70/64/46/568706446.db2.gz MGHRHDBICUBGPV-IOXNAGQWSA-N 0 0 407.513 5.264 40 0 HKABRN CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1cccc2ccccc21 ZINC000059433485 568706525 /nfs/dbraw/zinc/70/65/25/568706525.db2.gz NECBBAABTKNPIP-UHFFFAOYSA-N 0 0 419.590 6.225 40 0 HKABRN CSc1ccc(/C=C2/SC(=O)N(CNc3cccc(Cl)c3C)C2=O)cc1 ZINC000059457329 568704413 /nfs/dbraw/zinc/70/44/13/568704413.db2.gz OFHDXWDNRKMDBA-LICLKQGHSA-N 0 0 404.944 5.476 40 0 HKABRN Cc1ccc(NCN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1Cl ZINC000059457366 568704303 /nfs/dbraw/zinc/70/43/03/568704303.db2.gz YZKZEBZACLBFEJ-VXLYETTFSA-N 0 0 400.931 5.878 40 0 HKABRN COc1ccc(NCN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1Cl ZINC000059457370 568704292 /nfs/dbraw/zinc/70/42/92/568704292.db2.gz VZFRUPLEONQYQC-VXLYETTFSA-N 0 0 416.930 5.578 40 0 HKABRN CCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)sc2c1 ZINC000059459202 568704354 /nfs/dbraw/zinc/70/43/54/568704354.db2.gz QSCZEBKVQKRWOZ-UHFFFAOYSA-N 0 0 413.568 5.499 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1OCc1ccccc1)c1ccc(Cl)cc1 ZINC000059459241 568704274 /nfs/dbraw/zinc/70/42/74/568704274.db2.gz RRRBQTQQFGZDSQ-UHFFFAOYSA-N 0 0 405.803 6.190 40 0 HKABRN O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cccc(Br)c1 ZINC000059461313 568704691 /nfs/dbraw/zinc/70/46/91/568704691.db2.gz PQYONJFPQMHZLF-UHFFFAOYSA-N 0 0 415.268 5.678 40 0 HKABRN O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(Br)cc1 ZINC000059461314 568704678 /nfs/dbraw/zinc/70/46/78/568704678.db2.gz ZHWQDHWUGWPNAK-UHFFFAOYSA-N 0 0 415.268 5.678 40 0 HKABRN O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(Cl)cc1Cl ZINC000059461315 568704737 /nfs/dbraw/zinc/70/47/37/568704737.db2.gz KFCJKCXUTMQHNI-UHFFFAOYSA-N 0 0 405.262 6.222 40 0 HKABRN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000059461559 568704570 /nfs/dbraw/zinc/70/45/70/568704570.db2.gz CFQSPDRHNANJEI-OKILXGFUSA-N 0 0 420.340 6.041 40 0 HKABRN C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000059461560 568704715 /nfs/dbraw/zinc/70/47/15/568704715.db2.gz CFQSPDRHNANJEI-KBPBESRZSA-N 0 0 420.340 6.041 40 0 HKABRN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000059461561 568704632 /nfs/dbraw/zinc/70/46/32/568704632.db2.gz CFQSPDRHNANJEI-ZIAGYGMSSA-N 0 0 420.340 6.041 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000059462033 568704731 /nfs/dbraw/zinc/70/47/31/568704731.db2.gz ARTDFFRGUUTWHH-UHFFFAOYSA-N 0 0 418.246 6.256 40 0 HKABRN Cc1cccc(C2=N/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)O2)c1 ZINC000059463870 568704853 /nfs/dbraw/zinc/70/48/53/568704853.db2.gz DNQGMZZREWJLCC-HMAPJEAMSA-N 0 0 403.865 5.572 40 0 HKABRN CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OCc1ccccc1 ZINC000059463872 568704824 /nfs/dbraw/zinc/70/48/24/568704824.db2.gz AEKQBVBMVUUYAR-JCMHNJIXSA-N 0 0 413.473 5.317 40 0 HKABRN COc1ccc(-c2nc(NC(=O)c3ccccc3)sc2-c2ccc(OC)cc2)cc1 ZINC000059464305 568704873 /nfs/dbraw/zinc/70/48/73/568704873.db2.gz VGJOCRZOKIFYJW-UHFFFAOYSA-N 0 0 416.502 5.747 40 0 HKABRN CCCCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000059471543 568704962 /nfs/dbraw/zinc/70/49/62/568704962.db2.gz JJADJOJLYZZBSA-XMMPIXPASA-N 0 0 400.478 5.529 40 0 HKABRN CCCCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000059471544 568704943 /nfs/dbraw/zinc/70/49/43/568704943.db2.gz JJADJOJLYZZBSA-DEOSSOPVSA-N 0 0 400.478 5.529 40 0 HKABRN Clc1ccc(COc2ccc(CNc3ccc(Br)cc3)cc2)cc1 ZINC000059472255 568704848 /nfs/dbraw/zinc/70/48/48/568704848.db2.gz AOHRFVWORFSJKF-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN Clc1ccc(COc2cccc(CNc3ccc(Br)cc3)c2)cc1 ZINC000059472307 568704866 /nfs/dbraw/zinc/70/48/66/568704866.db2.gz QBOBBBSQPFJXIQ-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN Clc1ccc(COc2ccccc2CNc2ccc(Br)cc2)cc1 ZINC000059472327 568704876 /nfs/dbraw/zinc/70/48/76/568704876.db2.gz IHQUDQGLUUFPLS-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN Clc1ccccc1-c1nnc(SCc2c[nH]c3ccccc23)n1-c1ccccc1 ZINC000059472544 568704837 /nfs/dbraw/zinc/70/48/37/568704837.db2.gz VBYNYGGJAVYGPA-UHFFFAOYSA-N 0 0 416.937 6.361 40 0 HKABRN O=C(CSCc1ccc(Br)cc1)Nc1ccc(-c2ccccc2)cc1 ZINC000059472956 568704936 /nfs/dbraw/zinc/70/49/36/568704936.db2.gz KAQATXVCNBZRJB-UHFFFAOYSA-N 0 0 412.352 5.988 40 0 HKABRN Cc1ccc(NCn2nc(CSc3nc4ccccc4s3)oc2=S)cc1 ZINC000059474378 568706920 /nfs/dbraw/zinc/70/69/20/568706920.db2.gz FWTMJLYVHSPCNH-UHFFFAOYSA-N 0 0 400.554 5.486 40 0 HKABRN Clc1cccc(-c2ccc(C3N(c4ccccc4)CCN3c3ccccc3)o2)c1 ZINC000059474558 568707005 /nfs/dbraw/zinc/70/70/05/568707005.db2.gz SSXGFHSLUGQJNW-UHFFFAOYSA-N 0 0 400.909 6.625 40 0 HKABRN Cc1ccc(O)c([C@H](C(=O)NCc2c(C)cc(Cl)cc2Cl)c2ccccc2)c1 ZINC000059474616 568706936 /nfs/dbraw/zinc/70/69/36/568706936.db2.gz FOTNEEVECMLTDF-JOCHJYFZSA-N 0 0 414.332 5.764 40 0 HKABRN Cc1ccc(O)c([C@@H](C(=O)NCc2c(C)cc(Cl)cc2Cl)c2ccccc2)c1 ZINC000059474617 568706949 /nfs/dbraw/zinc/70/69/49/568706949.db2.gz FOTNEEVECMLTDF-QFIPXVFZSA-N 0 0 414.332 5.764 40 0 HKABRN CCc1ccc(O)c([C@H](C(=O)NCc2c(C)cc(C)cc2Cl)c2ccccc2)c1 ZINC000059474672 568706930 /nfs/dbraw/zinc/70/69/30/568706930.db2.gz XZAQSDNMGPZGMQ-XMMPIXPASA-N 0 0 407.941 5.673 40 0 HKABRN CCc1ccc(O)c([C@@H](C(=O)NCc2c(C)cc(C)cc2Cl)c2ccccc2)c1 ZINC000059474674 568707035 /nfs/dbraw/zinc/70/70/35/568707035.db2.gz XZAQSDNMGPZGMQ-DEOSSOPVSA-N 0 0 407.941 5.673 40 0 HKABRN O=C1c2ccccc2C(=O)N1c1ccc2nc(SCCc3ccccc3)sc2c1 ZINC000059474760 568707009 /nfs/dbraw/zinc/70/70/09/568707009.db2.gz ANKBOZYDFLNWNO-UHFFFAOYSA-N 0 0 416.527 5.432 40 0 HKABRN O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Cl)cc1Cl ZINC000059475062 568706914 /nfs/dbraw/zinc/70/69/14/568706914.db2.gz WYTNFTUBEXQACX-UHFFFAOYSA-N 0 0 410.260 5.963 40 0 HKABRN c1ccc2c(c1)cccc2N1Cc2cc3c(cc2C1)CN(c1cccc2ccccc21)C3 ZINC000059475095 568707072 /nfs/dbraw/zinc/70/70/72/568707072.db2.gz LLKAIBBWAFZODM-UHFFFAOYSA-N 0 0 412.536 7.033 40 0 HKABRN CC(C)(C)c1ccc(N2Cc3cc4c(cc3C2)CN(c2ccc(C(C)(C)C)cc2)C4)cc1 ZINC000059475361 568707320 /nfs/dbraw/zinc/70/73/20/568707320.db2.gz ZUJZYWHJBSAGHF-UHFFFAOYSA-N 0 0 424.632 7.322 40 0 HKABRN CCOC(=O)c1ccc(NCn2nc(-c3ccc(Cl)cc3Cl)oc2=S)cc1 ZINC000059475374 568707365 /nfs/dbraw/zinc/70/73/65/568707365.db2.gz BDNPNAKBPSAWPC-UHFFFAOYSA-N 0 0 424.309 5.426 40 0 HKABRN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Br)c1 ZINC000059475445 568707296 /nfs/dbraw/zinc/70/72/96/568707296.db2.gz XDCKHEPBFLTTFW-UHFFFAOYSA-N 0 0 402.210 5.509 40 0 HKABRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(Cl)cc1Cl ZINC000059476020 568707246 /nfs/dbraw/zinc/70/72/46/568707246.db2.gz ZJYILANALQDCKI-UHFFFAOYSA-N 0 0 403.103 5.390 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000059477537 568707260 /nfs/dbraw/zinc/70/72/60/568707260.db2.gz TXRFRGYYOAFLHX-SDNWHVSQSA-N 0 0 406.913 6.242 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000059477540 568707250 /nfs/dbraw/zinc/70/72/50/568707250.db2.gz GUVPNRVHIZPPHB-DHZHZOJOSA-N 0 0 408.885 5.089 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000059477541 568707292 /nfs/dbraw/zinc/70/72/92/568707292.db2.gz WFEJBHKPTNJTEQ-BMRADRMJSA-N 0 0 415.876 7.044 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000059477551 568707272 /nfs/dbraw/zinc/70/72/72/568707272.db2.gz VTRDPYPCUYIWSL-JQIJEIRASA-N 0 0 405.457 6.142 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000059477553 568707257 /nfs/dbraw/zinc/70/72/57/568707257.db2.gz BVQRAEUNMYBJLU-WYMLVPIESA-N 0 0 407.429 5.802 40 0 HKABRN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000059477554 568707315 /nfs/dbraw/zinc/70/73/15/568707315.db2.gz CPYDMZKGNPKBBU-WYMLVPIESA-N 0 0 421.456 6.110 40 0 HKABRN Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cccc1-c1nc2ncccc2o1 ZINC000059477555 568707205 /nfs/dbraw/zinc/70/72/05/568707205.db2.gz BLSLXGWKRLXOTK-FYWRMAATSA-N 0 0 421.456 6.110 40 0 HKABRN Cc1ccc2nc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)oc2c1 ZINC000059477558 568707361 /nfs/dbraw/zinc/70/73/61/568707361.db2.gz AUXROYKNZGYMSB-NTCAYCPXSA-N 0 0 420.468 6.715 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000059477567 568707186 /nfs/dbraw/zinc/70/71/86/568707186.db2.gz OGITWAAOEQHGDX-BMRADRMJSA-N 0 0 422.509 6.875 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000059477568 568707229 /nfs/dbraw/zinc/70/72/29/568707229.db2.gz APPYKUIROAWWDB-BMRADRMJSA-N 0 0 405.457 6.142 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000059477569 568707374 /nfs/dbraw/zinc/70/73/74/568707374.db2.gz PQHZWCOKMWKDSG-FYWRMAATSA-N 0 0 407.429 5.802 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000059477571 568707279 /nfs/dbraw/zinc/70/72/79/568707279.db2.gz LHLYCAFCJGMMOR-BMRADRMJSA-N 0 0 406.441 6.407 40 0 HKABRN Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3)nc2c1 ZINC000059477572 568707200 /nfs/dbraw/zinc/70/72/00/568707200.db2.gz LUIGYTGULNUTAZ-DTQAZKPQSA-N 0 0 420.468 6.715 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000059477583 568707276 /nfs/dbraw/zinc/70/72/76/568707276.db2.gz QCBPVQRUEZMQED-FBMGVBCBSA-N 0 0 408.457 5.851 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000059477593 568707342 /nfs/dbraw/zinc/70/73/42/568707342.db2.gz NMKWYJRTHXKGJV-BMRADRMJSA-N 0 0 408.457 5.851 40 0 HKABRN Cc1ccccc1C(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 ZINC000059477598 568707192 /nfs/dbraw/zinc/70/71/92/568707192.db2.gz BAZPVDHJULOVPW-BMRADRMJSA-N 0 0 422.484 6.159 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000059477600 568707287 /nfs/dbraw/zinc/70/72/87/568707287.db2.gz WBOYOSPQURXYDL-DTQAZKPQSA-N 0 0 406.441 6.407 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000059477601 568707225 /nfs/dbraw/zinc/70/72/25/568707225.db2.gz RUGGMHDKNQOOKF-NTCAYCPXSA-N 0 0 424.431 6.546 40 0 HKABRN Cc1cccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)ccc3o2)c1 ZINC000059477605 568707311 /nfs/dbraw/zinc/70/73/11/568707311.db2.gz LSVZFPUIFCVOOK-NTCAYCPXSA-N 0 0 420.468 6.715 40 0 HKABRN Cc1ccccc1-c1nc2cc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)ccc2o1 ZINC000059477606 568707236 /nfs/dbraw/zinc/70/72/36/568707236.db2.gz JHIBSCIGLOXBBG-DTQAZKPQSA-N 0 0 420.468 6.715 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)ccc3o2)cc1 ZINC000059477607 568707346 /nfs/dbraw/zinc/70/73/46/568707346.db2.gz LPQUPPSTYNDINX-DTQAZKPQSA-N 0 0 420.468 6.715 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000059477613 568707298 /nfs/dbraw/zinc/70/72/98/568707298.db2.gz WITBAWNMCLNMMP-JLHYYAGUSA-N 0 0 407.429 5.802 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000059477614 568707337 /nfs/dbraw/zinc/70/73/37/568707337.db2.gz IKNWJKZJMNMOIC-DHZHZOJOSA-N 0 0 407.429 5.802 40 0 HKABRN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)sc2c1CCCC2 ZINC000059477629 568707188 /nfs/dbraw/zinc/70/71/88/568707188.db2.gz YSNOWZABQNDVQW-FYWRMAATSA-N 0 0 421.518 5.716 40 0 HKABRN CCCc1sc(NC(=O)c2ccccc2Br)nc1-c1ccccc1 ZINC000059482630 568707221 /nfs/dbraw/zinc/70/72/21/568707221.db2.gz PPAOCPZELBAQRI-UHFFFAOYSA-N 0 0 401.329 5.777 40 0 HKABRN CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)cc2)cc1 ZINC000059483195 568707492 /nfs/dbraw/zinc/70/74/92/568707492.db2.gz ZRWUXQASGLZIEF-XMMPIXPASA-N 0 0 420.940 6.680 40 0 HKABRN CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000059483197 568707589 /nfs/dbraw/zinc/70/75/89/568707589.db2.gz ZRWUXQASGLZIEF-DEOSSOPVSA-N 0 0 420.940 6.680 40 0 HKABRN CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C)cc2)cc1 ZINC000059483202 568707472 /nfs/dbraw/zinc/70/74/72/568707472.db2.gz HSDBXTNEYSPMHI-RUZDIDTESA-N 0 0 400.522 6.335 40 0 HKABRN CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C)cc2)cc1 ZINC000059483204 568707508 /nfs/dbraw/zinc/70/75/08/568707508.db2.gz HSDBXTNEYSPMHI-VWLOTQADSA-N 0 0 400.522 6.335 40 0 HKABRN CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(CC)cc2)cc1 ZINC000059483207 568707597 /nfs/dbraw/zinc/70/75/97/568707597.db2.gz MKJMDGRHFCTCSJ-AREMUKBSSA-N 0 0 414.549 6.589 40 0 HKABRN CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(CC)cc2)cc1 ZINC000059483209 568707630 /nfs/dbraw/zinc/70/76/30/568707630.db2.gz MKJMDGRHFCTCSJ-SANMLTNESA-N 0 0 414.549 6.589 40 0 HKABRN COC(=O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3ccccc3c2)cc1 ZINC000059483218 568707496 /nfs/dbraw/zinc/70/74/96/568707496.db2.gz CDIYBEQWXGNLFU-XMMPIXPASA-N 0 0 408.457 5.398 40 0 HKABRN COC(=O)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3ccccc3c2)cc1 ZINC000059483220 568707578 /nfs/dbraw/zinc/70/75/78/568707578.db2.gz CDIYBEQWXGNLFU-DEOSSOPVSA-N 0 0 408.457 5.398 40 0 HKABRN CCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)sc2c1 ZINC000059483475 568707519 /nfs/dbraw/zinc/70/75/19/568707519.db2.gz MFCNNBUWLJJVSU-UHFFFAOYSA-N 0 0 419.959 5.337 40 0 HKABRN CC(C)(C)c1ccc(CNC(=O)[C@@H](c2ccccc2)c2cc(Cl)ccc2O)cc1 ZINC000059483638 568707581 /nfs/dbraw/zinc/70/75/81/568707581.db2.gz CSBSJUFKPUHYJF-QHCPKHFHSA-N 0 0 407.941 5.791 40 0 HKABRN CC(C)(C)c1ccc(CNC(=O)[C@H](c2ccccc2)c2cc(Cl)ccc2O)cc1 ZINC000059483640 568707524 /nfs/dbraw/zinc/70/75/24/568707524.db2.gz CSBSJUFKPUHYJF-HSZRJFAPSA-N 0 0 407.941 5.791 40 0 HKABRN O=C1c2ccccc2N[C@@H](c2ccc(OCc3ccccc3)cc2)N1Cc1ccccc1 ZINC000059483688 568707504 /nfs/dbraw/zinc/70/75/04/568707504.db2.gz BUSBXLQPFWUEJW-HHHXNRCGSA-N 0 0 420.512 6.032 40 0 HKABRN O=C1c2ccccc2N[C@H](c2ccc(OCc3ccccc3)cc2)N1Cc1ccccc1 ZINC000059483690 568707639 /nfs/dbraw/zinc/70/76/39/568707639.db2.gz BUSBXLQPFWUEJW-MHZLTWQESA-N 0 0 420.512 6.032 40 0 HKABRN CCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(Br)c2)cc1 ZINC000059483706 568707449 /nfs/dbraw/zinc/70/74/49/568707449.db2.gz NBSDFMRXTQAYDQ-OAQYLSRUSA-N 0 0 407.311 5.783 40 0 HKABRN CCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(Br)c2)cc1 ZINC000059483708 568707534 /nfs/dbraw/zinc/70/75/34/568707534.db2.gz NBSDFMRXTQAYDQ-NRFANRHFSA-N 0 0 407.311 5.783 40 0 HKABRN Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCC(C)C)cc2)cc1C ZINC000059483709 568707489 /nfs/dbraw/zinc/70/74/89/568707489.db2.gz BGCCKOGPCRNHRE-RUZDIDTESA-N 0 0 400.522 6.109 40 0 HKABRN Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCC(C)C)cc2)cc1C ZINC000059483711 568707574 /nfs/dbraw/zinc/70/75/74/568707574.db2.gz BGCCKOGPCRNHRE-VWLOTQADSA-N 0 0 400.522 6.109 40 0 HKABRN CC(C)(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000059483721 568707608 /nfs/dbraw/zinc/70/76/08/568707608.db2.gz RUEXYGKMVRUAJR-JOCHJYFZSA-N 0 0 408.904 6.548 40 0 HKABRN CC(C)(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000059483724 568707475 /nfs/dbraw/zinc/70/74/75/568707475.db2.gz RUEXYGKMVRUAJR-QFIPXVFZSA-N 0 0 408.904 6.548 40 0 HKABRN CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000059483730 568707543 /nfs/dbraw/zinc/70/75/43/568707543.db2.gz OYHSYYUIMVKPFD-RUZDIDTESA-N 0 0 400.522 6.370 40 0 HKABRN CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000059483732 568707546 /nfs/dbraw/zinc/70/75/46/568707546.db2.gz OYHSYYUIMVKPFD-VWLOTQADSA-N 0 0 400.522 6.370 40 0 HKABRN Cc1cc(Cl)ccc1-n1c(-c2ccccc2)nnc1-c1ccc(Br)cc1 ZINC000059485199 568707768 /nfs/dbraw/zinc/70/77/68/568707768.db2.gz OISIBPKNRPCZCO-UHFFFAOYSA-N 0 0 424.729 6.326 40 0 HKABRN O=C(CCCSc1nc2ccccc2s1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000059488020 568707782 /nfs/dbraw/zinc/70/77/82/568707782.db2.gz LBAJOGMBXUQQEP-UHFFFAOYSA-N 0 0 401.556 6.623 40 0 HKABRN CCCCCCOc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O ZINC000059488290 568707860 /nfs/dbraw/zinc/70/78/60/568707860.db2.gz KXBCNZVSFCPCCE-CPNJWEJPSA-N 0 0 418.320 6.297 40 0 HKABRN S=C1SCN(c2ccc(Cl)cc2Cl)CN1c1ccc(Cl)cc1Cl ZINC000059488429 568707709 /nfs/dbraw/zinc/70/77/09/568707709.db2.gz JIIQZHRABKCOKG-UHFFFAOYSA-N 0 0 424.205 6.560 40 0 HKABRN CCCCc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 ZINC000059488482 568707743 /nfs/dbraw/zinc/70/77/43/568707743.db2.gz QDTCDZNVAMHDPT-OAHLLOKOSA-N 0 0 405.325 5.328 40 0 HKABRN CCCCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 ZINC000059488483 568707683 /nfs/dbraw/zinc/70/76/83/568707683.db2.gz QDTCDZNVAMHDPT-HNNXBMFYSA-N 0 0 405.325 5.328 40 0 HKABRN COc1cc(-c2nn(CNc3ccc(C(C)C)cc3)c(=S)o2)cc(OC)c1OC ZINC000059488491 568707695 /nfs/dbraw/zinc/70/76/95/568707695.db2.gz PSJHPJYBJXQUQD-UHFFFAOYSA-N 0 0 415.515 5.091 40 0 HKABRN COc1ccc(C2=N[C@H](c3ccc(OC)c(OC)c3)N=C(c3ccccc3)S2)cc1 ZINC000059488722 568707950 /nfs/dbraw/zinc/70/79/50/568707950.db2.gz VEMIIWNCCUPFOG-JOCHJYFZSA-N 0 0 418.518 5.351 40 0 HKABRN COc1ccc(C2=N[C@@H](c3ccc(OC)c(OC)c3)N=C(c3ccccc3)S2)cc1 ZINC000059488723 568708105 /nfs/dbraw/zinc/70/81/05/568708105.db2.gz VEMIIWNCCUPFOG-QFIPXVFZSA-N 0 0 418.518 5.351 40 0 HKABRN COc1ccc(C2=N[C@H](c3ccc4c(c3)OCO4)N=C(c3ccccc3)S2)cc1 ZINC000059488724 568707987 /nfs/dbraw/zinc/70/79/87/568707987.db2.gz QGJBOVACUGPADP-OAQYLSRUSA-N 0 0 402.475 5.063 40 0 HKABRN COc1ccc(C2=N[C@@H](c3ccc4c(c3)OCO4)N=C(c3ccccc3)S2)cc1 ZINC000059488725 568708098 /nfs/dbraw/zinc/70/80/98/568708098.db2.gz QGJBOVACUGPADP-NRFANRHFSA-N 0 0 402.475 5.063 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1cc(Br)cc2cccnc21 ZINC000059488857 568707946 /nfs/dbraw/zinc/70/79/46/568707946.db2.gz WTXOLUNZLYOHBC-UHFFFAOYSA-N 0 0 407.267 5.411 40 0 HKABRN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1c(C)cc(Br)cc1C ZINC000059489554 568707966 /nfs/dbraw/zinc/70/79/66/568707966.db2.gz NLYNDZWSYPMFFL-UHFFFAOYSA-N 0 0 419.706 5.935 40 0 HKABRN COc1ccc(-c2nnc(SCc3c[nH]c4ccccc34)n2-c2ccccc2)cc1 ZINC000059489565 568707937 /nfs/dbraw/zinc/70/79/37/568707937.db2.gz UFRVPEHRQQCGAN-UHFFFAOYSA-N 0 0 412.518 5.717 40 0 HKABRN c1[nH]c2ccccc2c1CSc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC000059489567 568707990 /nfs/dbraw/zinc/70/79/90/568707990.db2.gz WTETZUBFVWEFIL-UHFFFAOYSA-N 0 0 412.518 5.620 40 0 HKABRN O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)c1ccc(F)cc1 ZINC000059489716 568708025 /nfs/dbraw/zinc/70/80/25/568708025.db2.gz QSQPKNOFIQYDJJ-UHFFFAOYSA-N 0 0 422.506 5.663 40 0 HKABRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000059500398 571042221 /nfs/dbraw/zinc/04/22/21/571042221.db2.gz XBTCSUOTGFAZNH-QQNJPBSNSA-N 0 0 413.904 5.301 40 0 HKABRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000059500399 571042233 /nfs/dbraw/zinc/04/22/33/571042233.db2.gz XBTCSUOTGFAZNH-FGEXJBCWSA-N 0 0 413.904 5.301 40 0 HKABRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 ZINC000059500400 571042217 /nfs/dbraw/zinc/04/22/17/571042217.db2.gz XBTCSUOTGFAZNH-VUUXHMSQSA-N 0 0 413.904 5.301 40 0 HKABRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 ZINC000059500401 571042236 /nfs/dbraw/zinc/04/22/36/571042236.db2.gz XBTCSUOTGFAZNH-ZQFKLAOWSA-N 0 0 413.904 5.301 40 0 HKABRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000059500406 571042246 /nfs/dbraw/zinc/04/22/46/571042246.db2.gz KTMHJJMYAHSILV-QQNJPBSNSA-N 0 0 413.904 5.301 40 0 HKABRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000059500407 571042210 /nfs/dbraw/zinc/04/22/10/571042210.db2.gz KTMHJJMYAHSILV-FGEXJBCWSA-N 0 0 413.904 5.301 40 0 HKABRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000059500408 571042257 /nfs/dbraw/zinc/04/22/57/571042257.db2.gz KTMHJJMYAHSILV-VUUXHMSQSA-N 0 0 413.904 5.301 40 0 HKABRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000059500409 571042242 /nfs/dbraw/zinc/04/22/42/571042242.db2.gz KTMHJJMYAHSILV-ZQFKLAOWSA-N 0 0 413.904 5.301 40 0 HKABRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000059500410 568708411 /nfs/dbraw/zinc/70/84/11/568708411.db2.gz AZFCXAMLNFMJJM-QQNJPBSNSA-N 0 0 413.904 5.301 40 0 HKABRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000059500411 568708466 /nfs/dbraw/zinc/70/84/66/568708466.db2.gz AZFCXAMLNFMJJM-FGEXJBCWSA-N 0 0 413.904 5.301 40 0 HKABRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000059500412 568708342 /nfs/dbraw/zinc/70/83/42/568708342.db2.gz AZFCXAMLNFMJJM-VUUXHMSQSA-N 0 0 413.904 5.301 40 0 HKABRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000059500413 568708291 /nfs/dbraw/zinc/70/82/91/568708291.db2.gz AZFCXAMLNFMJJM-ZQFKLAOWSA-N 0 0 413.904 5.301 40 0 HKABRN COc1ccc(/C=C2\OC(=O)c3c2c(-c2ccccc2)ccc3-c2ccccc2)cc1 ZINC000059501019 568708479 /nfs/dbraw/zinc/70/84/79/568708479.db2.gz KDNZSVUSKRZWEE-BWAHOGKJSA-N 0 0 404.465 6.698 40 0 HKABRN Cc1cc(/C=C2\OC(=O)c3c2c(-c2ccccc2)ccc3-c2ccccc2)cc(C)c1C ZINC000059501020 568708401 /nfs/dbraw/zinc/70/84/01/568708401.db2.gz DYBCEBHAGPWHNA-IMRQLAEWSA-N 0 0 416.520 7.614 40 0 HKABRN O=C1O/C(=C\c2cccc3ccccc23)c2c1c(-c1ccccc1)ccc2-c1ccccc1 ZINC000059501021 568708374 /nfs/dbraw/zinc/70/83/74/568708374.db2.gz ROEUDWJVOGZNDS-RRAHZORUSA-N 0 0 424.499 7.842 40 0 HKABRN COc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000059501074 568708312 /nfs/dbraw/zinc/70/83/12/568708312.db2.gz NOQVIRQVCNCPMF-SANMLTNESA-N 0 0 403.497 5.969 40 0 HKABRN COc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000059501075 568708407 /nfs/dbraw/zinc/70/84/07/568708407.db2.gz NOQVIRQVCNCPMF-AREMUKBSSA-N 0 0 403.497 5.969 40 0 HKABRN COc1ccc([C@]2(C)CC(C)(C)N(C(=O)CCc3ccccc3)c3ccccc32)cc1 ZINC000059501076 568708447 /nfs/dbraw/zinc/70/84/47/568708447.db2.gz COJPIAXSHFYGKH-NDEPHWFRSA-N 0 0 413.561 6.149 40 0 HKABRN COc1ccc([C@@]2(C)CC(C)(C)N(C(=O)CCc3ccccc3)c3ccccc32)cc1 ZINC000059501077 568708430 /nfs/dbraw/zinc/70/84/30/568708430.db2.gz COJPIAXSHFYGKH-MUUNZHRXSA-N 0 0 413.561 6.149 40 0 HKABRN Cc1cccc(C(=O)Oc2ccc(/C=C3/N=C(c4ccc(Cl)cc4)OC3=O)cc2)c1 ZINC000059503440 568708658 /nfs/dbraw/zinc/70/86/58/568708658.db2.gz KVCHCODGHJIDOR-KGENOOAVSA-N 0 0 417.848 5.212 40 0 HKABRN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000059507291 568708568 /nfs/dbraw/zinc/70/85/68/568708568.db2.gz YTJDTDUVSZJZES-BKUYFWCQSA-N 0 0 424.283 5.917 40 0 HKABRN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000059507292 568708595 /nfs/dbraw/zinc/70/85/95/568708595.db2.gz ARIQPADSCAHARE-BKUYFWCQSA-N 0 0 424.283 5.917 40 0 HKABRN Cc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)c1 ZINC000059694950 568710159 /nfs/dbraw/zinc/71/01/59/568710159.db2.gz GVGZPXSTXXXDNX-UHFFFAOYSA-N 0 0 419.956 5.223 40 0 HKABRN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)Nc1cc(Cl)cc(Cl)c1 ZINC000059795260 569352389 /nfs/dbraw/zinc/35/23/89/569352389.db2.gz IMPONONZLXLEIS-UHFFFAOYSA-N 0 0 413.717 5.163 40 0 HKABRN O=C(c1ccc2oc(-c3cc(Cl)c(Cl)c(Cl)c3)nc2c1)N1CCCCC1 ZINC000059842994 568709305 /nfs/dbraw/zinc/70/93/05/568709305.db2.gz GRBAKEMCKVGCJU-UHFFFAOYSA-N 0 0 409.700 6.081 40 0 HKABRN C[C@@H]1CCCCN1C(=O)c1ccc2oc(-c3cc(Cl)c(Cl)c(Cl)c3)nc2c1 ZINC000059842995 568709342 /nfs/dbraw/zinc/70/93/42/568709342.db2.gz KXUIJSYUVSQPCO-LLVKDONJSA-N 0 0 423.727 6.470 40 0 HKABRN C[C@H]1CCCCN1C(=O)c1ccc2oc(-c3cc(Cl)c(Cl)c(Cl)c3)nc2c1 ZINC000059842997 568709348 /nfs/dbraw/zinc/70/93/48/568709348.db2.gz KXUIJSYUVSQPCO-NSHDSACASA-N 0 0 423.727 6.470 40 0 HKABRN CC1CCN(C(=O)c2ccc3oc(-c4cc(Cl)c(Cl)c(Cl)c4)nc3c2)CC1 ZINC000059842998 568709263 /nfs/dbraw/zinc/70/92/63/568709263.db2.gz PKHKOICVABBABO-UHFFFAOYSA-N 0 0 423.727 6.327 40 0 HKABRN O=C(NC1CCCCC1)c1ccc2oc(-c3cc(Cl)c(Cl)c(Cl)c3)nc2c1 ZINC000059843003 568709288 /nfs/dbraw/zinc/70/92/88/568709288.db2.gz VFPDJSPVFAQUNW-UHFFFAOYSA-N 0 0 423.727 6.518 40 0 HKABRN CN(C)C(=O)c1ccc2oc(-c3cc(Cl)c(Br)c(Cl)c3)nc2c1 ZINC000059843007 568709246 /nfs/dbraw/zinc/70/92/46/568709246.db2.gz GCQGPSARAMECFP-UHFFFAOYSA-N 0 0 414.086 5.266 40 0 HKABRN O=C(NC1CCCCC1)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Cl)nc2c1 ZINC000059843024 568709359 /nfs/dbraw/zinc/70/93/59/568709359.db2.gz UTTFJZJVBODRHY-UHFFFAOYSA-N 0 0 423.727 6.518 40 0 HKABRN O=C(c1ccc2oc(-c3cc(Cl)cc(Cl)c3Cl)nc2c1)N1CCCCC1 ZINC000059843028 568709271 /nfs/dbraw/zinc/70/92/71/568709271.db2.gz YPECDQJVCXIJGU-UHFFFAOYSA-N 0 0 409.700 6.081 40 0 HKABRN C[C@@H]1CCCCN1C(=O)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Cl)nc2c1 ZINC000059843030 568709268 /nfs/dbraw/zinc/70/92/68/568709268.db2.gz YICNZASRAAALBK-LLVKDONJSA-N 0 0 423.727 6.470 40 0 HKABRN C[C@H]1CCCCN1C(=O)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Cl)nc2c1 ZINC000059843032 568709177 /nfs/dbraw/zinc/70/91/77/568709177.db2.gz YICNZASRAAALBK-NSHDSACASA-N 0 0 423.727 6.470 40 0 HKABRN CC1CCN(C(=O)c2ccc3oc(-c4cc(Cl)cc(Cl)c4Cl)nc3c2)CC1 ZINC000059843035 568709368 /nfs/dbraw/zinc/70/93/68/568709368.db2.gz PKFQRGAISABMCF-UHFFFAOYSA-N 0 0 423.727 6.327 40 0 HKABRN CN(C)C(=O)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Br)nc2c1 ZINC000059843051 568709332 /nfs/dbraw/zinc/70/93/32/568709332.db2.gz SEWBHQLSZBJAGN-UHFFFAOYSA-N 0 0 414.086 5.266 40 0 HKABRN c1ccc(COc2ccc(C3N(c4ccccc4)CCCN3c3ccccc3)cc2)cc1 ZINC000059843784 558939384 /nfs/dbraw/zinc/93/93/84/558939384.db2.gz ATFGTWJHIYNRNM-UHFFFAOYSA-N 0 0 420.556 6.681 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc3nc(SCc4ccc(Cl)cc4)sc3c2)cc1 ZINC000059854764 568709370 /nfs/dbraw/zinc/70/93/70/568709370.db2.gz KGHGFZBOZSKDHL-UHFFFAOYSA-N 0 0 424.978 6.803 40 0 HKABRN Cc1ccccc1C(=O)Nc1ccc2nc(SCc3ccc(F)cc3)sc2c1 ZINC000059855264 568709192 /nfs/dbraw/zinc/70/91/92/568709192.db2.gz UGTJKMSYKANVNG-UHFFFAOYSA-N 0 0 408.523 6.288 40 0 HKABRN Cc1ccccc1C(=O)Nc1ccc2nc(SCc3ccccc3Cl)sc2c1 ZINC000059855317 568709384 /nfs/dbraw/zinc/70/93/84/568709384.db2.gz IDUAXJGHJPXPFH-UHFFFAOYSA-N 0 0 424.978 6.803 40 0 HKABRN O=C(Nc1ccc2nc(SCc3ccccc3Cl)sc2c1)c1ccccc1 ZINC000059855355 568709209 /nfs/dbraw/zinc/70/92/09/568709209.db2.gz QMPTZGBAJSYFPI-UHFFFAOYSA-N 0 0 410.951 6.494 40 0 HKABRN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccccc1OCc1ccc(Cl)cc1 ZINC000059959026 568709609 /nfs/dbraw/zinc/70/96/09/568709609.db2.gz YNRPKLMWDKIMSF-MOSHPQCFSA-N 0 0 407.828 5.403 40 0 HKABRN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000059959032 568709657 /nfs/dbraw/zinc/70/96/57/568709657.db2.gz YOLDPRJDLWWPJY-BKUYFWCQSA-N 0 0 407.828 5.403 40 0 HKABRN O=C(Oc1ccccc1/C=C1\N=C(c2ccc(F)cc2)OC1=O)c1ccc(Cl)cc1 ZINC000059959052 568709664 /nfs/dbraw/zinc/70/96/64/568709664.db2.gz WHMRIHWFNQMIAQ-UYRXBGFRSA-N 0 0 421.811 5.043 40 0 HKABRN O=C(c1ccc(CSCc2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000059960753 568709544 /nfs/dbraw/zinc/70/95/44/568709544.db2.gz SGFBGINSKXJVOD-UHFFFAOYSA-N 0 0 416.590 5.078 40 0 HKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000059960830 568709947 /nfs/dbraw/zinc/70/99/47/568709947.db2.gz JHTMSZFIDOIVDS-UHFFFAOYSA-N 0 0 415.276 5.263 40 0 HKABRN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000059960844 568709811 /nfs/dbraw/zinc/70/98/11/568709811.db2.gz FITADJSPLLHJET-HNNXBMFYSA-N 0 0 410.926 5.712 40 0 HKABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000059960849 568709929 /nfs/dbraw/zinc/70/99/29/568709929.db2.gz FITADJSPLLHJET-OAHLLOKOSA-N 0 0 410.926 5.712 40 0 HKABRN O=C(CSc1ccc(Cl)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000059960938 568709865 /nfs/dbraw/zinc/70/98/65/568709865.db2.gz SKHDZSUPKFOTSX-UHFFFAOYSA-N 0 0 411.998 6.539 40 0 HKABRN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1c(Cl)cccc1Cl ZINC000059960949 568709891 /nfs/dbraw/zinc/70/98/91/568709891.db2.gz NUXQVKQMGNYWBC-UHFFFAOYSA-N 0 0 400.349 6.714 40 0 HKABRN COc1ccc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c(OC)c1 ZINC000060387333 568710108 /nfs/dbraw/zinc/71/01/08/568710108.db2.gz AJINORZKMXYNCZ-UHFFFAOYSA-N 0 0 416.713 6.131 40 0 HKABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000060512759 569352446 /nfs/dbraw/zinc/35/24/46/569352446.db2.gz WMUQXAIMVHPVPW-UHFFFAOYSA-N 0 0 418.562 5.713 40 0 HKABRN CC(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000060524909 558943201 /nfs/dbraw/zinc/94/32/01/558943201.db2.gz ZWIHOIBKSCJAFC-UHFFFAOYSA-N 0 0 412.486 5.002 40 0 HKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(C)C)c2)c1 ZINC000060524910 558943094 /nfs/dbraw/zinc/94/30/94/558943094.db2.gz MDXUYAUXVSZLIE-UHFFFAOYSA-N 0 0 408.523 5.172 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(C)C)c2)cc1 ZINC000060524934 558943108 /nfs/dbraw/zinc/94/31/08/558943108.db2.gz QDVJLUKPGXACEN-UHFFFAOYSA-N 0 0 408.523 5.172 40 0 HKABRN O=C(CSCc1c(Cl)cccc1Cl)NCC1(c2ccccc2)CCOCC1 ZINC000060824770 558943575 /nfs/dbraw/zinc/94/35/75/558943575.db2.gz NWMADXGKKJFLPC-UHFFFAOYSA-N 0 0 424.393 5.091 40 0 HKABRN COc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C)cc1OC ZINC000061237177 569352456 /nfs/dbraw/zinc/35/24/56/569352456.db2.gz LLDKOALXASQGKL-UHFFFAOYSA-N 0 0 423.321 5.695 40 0 HKABRN O=C(Nc1ccccc1Br)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000061429481 558945097 /nfs/dbraw/zinc/94/50/97/558945097.db2.gz KWVKNWFNORNONH-UHFFFAOYSA-N 0 0 419.278 6.023 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000061431544 558945142 /nfs/dbraw/zinc/94/51/42/558945142.db2.gz CIWGSSFPDLSYBR-UHFFFAOYSA-N 0 0 409.272 6.568 40 0 HKABRN COc1ccc(OC)c(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c1 ZINC000061431596 558945161 /nfs/dbraw/zinc/94/51/61/558945161.db2.gz CLFBAVWFDVODEQ-UHFFFAOYSA-N 0 0 400.434 5.278 40 0 HKABRN COc1cc(/C=C/C(=O)OC(C)C)cc(Br)c1OCc1ccccc1 ZINC000062714999 569388310 /nfs/dbraw/zinc/38/83/10/569388310.db2.gz HMUAICUNQTYOFX-MDZDMXLPSA-N 0 0 405.288 5.002 40 0 HKABRN COc1cc(/C=C/C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000062715147 569388339 /nfs/dbraw/zinc/38/83/39/569388339.db2.gz VZGVRKLZVWYISY-WLRTZDKTSA-N 0 0 409.869 5.285 40 0 HKABRN O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1)Nc1ccc(O)cc1 ZINC000062715224 569388357 /nfs/dbraw/zinc/38/83/57/569388357.db2.gz ILGKLGHAFCHSJL-AWNIVKPZSA-N 0 0 424.294 5.386 40 0 HKABRN COC(=O)/C=C/c1cc(Br)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000062715266 569388381 /nfs/dbraw/zinc/38/83/81/569388381.db2.gz NUHOBSMEXJZEFW-KPKJPENVSA-N 0 0 403.316 5.512 40 0 HKABRN CCOC(=O)/C=C/c1cc(Br)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000062715268 569388356 /nfs/dbraw/zinc/38/83/56/569388356.db2.gz YSQMCIJWGXKTGY-MDWZMJQESA-N 0 0 417.343 5.902 40 0 HKABRN COc1cc(/C=C/C(=O)OC(C)C)cc(Br)c1OCc1cccc(C)c1 ZINC000062715485 569388361 /nfs/dbraw/zinc/38/83/61/569388361.db2.gz WSFUWXZSCSGSEO-CMDGGOBGSA-N 0 0 419.315 5.310 40 0 HKABRN COc1cc(/C=C/C(=O)OC(C)C)cc(Br)c1OCc1ccc(C)cc1 ZINC000062715522 569388366 /nfs/dbraw/zinc/38/83/66/569388366.db2.gz NAOAGOZFFTZDPH-MDZDMXLPSA-N 0 0 419.315 5.310 40 0 HKABRN COc1cc(/C=C/C(=O)OC(C)C)cc(Br)c1OCc1ccccc1F ZINC000062715617 569388384 /nfs/dbraw/zinc/38/83/84/569388384.db2.gz DBXOTKFBZUPJOZ-CMDGGOBGSA-N 0 0 423.278 5.141 40 0 HKABRN COc1cc(/C=C/C(=O)OC(C)C)ccc1OCc1ccc(Br)cc1 ZINC000062715741 569388376 /nfs/dbraw/zinc/38/83/76/569388376.db2.gz LRGYSDPHDZCMNV-YRNVUSSQSA-N 0 0 405.288 5.002 40 0 HKABRN CC(C)OC(=O)/C=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000062715852 569388471 /nfs/dbraw/zinc/38/84/71/569388471.db2.gz IVNLQXDQOXFRQA-JXMROGBWSA-N 0 0 409.707 5.646 40 0 HKABRN CCc1ccc2nc(-c3cc(Br)cc(Br)c3N)sc2c1 ZINC000062720011 558953637 /nfs/dbraw/zinc/95/36/37/558953637.db2.gz DKUHCFHEJNFRIN-UHFFFAOYSA-N 0 0 412.150 5.633 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC000063450829 558958522 /nfs/dbraw/zinc/95/85/22/558958522.db2.gz FQILBTQFDRGJRW-UHFFFAOYSA-N 0 0 422.843 6.062 40 0 HKABRN COc1ccc(C)cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC000063451230 558958594 /nfs/dbraw/zinc/95/85/94/558958594.db2.gz NQDHTTWXKKFHHM-UHFFFAOYSA-N 0 0 402.425 5.717 40 0 HKABRN COc1ccc(OC)c(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)c1 ZINC000063451241 558958554 /nfs/dbraw/zinc/95/85/54/558958554.db2.gz SKOKBNZOVZVICP-UHFFFAOYSA-N 0 0 418.424 5.417 40 0 HKABRN COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)c(OC)c1 ZINC000063451407 558958483 /nfs/dbraw/zinc/95/84/83/558958483.db2.gz GFVZXOZSTSXANW-UHFFFAOYSA-N 0 0 418.424 5.417 40 0 HKABRN CCOc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC000063451435 558958491 /nfs/dbraw/zinc/95/84/91/558958491.db2.gz QSUVNALAUZLXLT-UHFFFAOYSA-N 0 0 402.425 5.799 40 0 HKABRN COc1ccc(-c2cnc(CCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1 ZINC000063887569 558960989 /nfs/dbraw/zinc/96/09/89/558960989.db2.gz PAWCEURNKJYWIG-UHFFFAOYSA-N 0 0 424.806 5.594 40 0 HKABRN COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 ZINC000063890081 558960938 /nfs/dbraw/zinc/96/09/38/558960938.db2.gz GGYFVONGVAXLJX-UHFFFAOYSA-N 0 0 424.806 5.594 40 0 HKABRN COc1ccc(-c2cnc(CCC(=O)NC(c3ccccc3)c3ccccc3)o2)cc1 ZINC000063890102 558961034 /nfs/dbraw/zinc/96/10/34/558961034.db2.gz PDNHPHRAGDMCNW-UHFFFAOYSA-N 0 0 412.489 5.189 40 0 HKABRN COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3Oc3ccccc3)o2)cc1 ZINC000063890440 558960994 /nfs/dbraw/zinc/96/09/94/558960994.db2.gz BWLNBONQIDVMAQ-UHFFFAOYSA-N 0 0 414.461 5.714 40 0 HKABRN 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)C(C)C ZINC000064219058 558962486 /nfs/dbraw/zinc/96/24/86/558962486.db2.gz OSELKOCHBMDKEJ-OZVGNUEJSA-N 0 0 412.702 7.945 40 0 HKABRN O=c1oc2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1-c1ccccc1Cl ZINC000064219940 558962405 /nfs/dbraw/zinc/96/24/05/558962405.db2.gz ZNCBVPACUDLOCI-UHFFFAOYSA-N 0 0 401.676 7.087 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C ZINC000064328815 558962921 /nfs/dbraw/zinc/96/29/21/558962921.db2.gz GEJAPXZYQVDSSI-UHFFFAOYSA-N 0 0 408.325 5.387 40 0 HKABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)CO2 ZINC000064622601 568713930 /nfs/dbraw/zinc/71/39/30/568713930.db2.gz INLFWQCRAJUDCR-UQNFBJEVSA-N 0 0 400.647 6.823 40 0 in-vitro HKABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000064622602 568713864 /nfs/dbraw/zinc/71/38/64/568713864.db2.gz INLFWQCRAJUDCR-PDWAGFGXSA-N 0 0 400.647 6.823 40 0 in-vitro HKABRN CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)CCC[C@]43C)[C@@H]12 ZINC000064624177 558964640 /nfs/dbraw/zinc/96/46/40/558964640.db2.gz NKMDIWKRKQFYPH-VIUFNMEASA-N 0 0 412.746 9.134 40 0 in-vitro HKABRN 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)CCCC4(C)C ZINC000064624314 569352498 /nfs/dbraw/zinc/35/24/98/569352498.db2.gz BSLYZLYLUUIFGZ-JRUDBKCSSA-N 0 0 412.746 9.278 40 0 in-vitro HKABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1C ZINC000064983081 558968220 /nfs/dbraw/zinc/96/82/20/558968220.db2.gz IUOGXLOAPYSBDI-KRWDZBQOSA-N 0 0 407.897 5.594 40 0 HKABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1C ZINC000064983082 558968264 /nfs/dbraw/zinc/96/82/64/558968264.db2.gz IUOGXLOAPYSBDI-QGZVFWFLSA-N 0 0 407.897 5.594 40 0 HKABRN O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(Br)cc1F ZINC000064984897 568714409 /nfs/dbraw/zinc/71/44/09/568714409.db2.gz RGBYGXZLNIVZOM-UHFFFAOYSA-N 0 0 400.247 5.273 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2F)cc(C)c1Cl ZINC000064985003 568714256 /nfs/dbraw/zinc/71/42/56/568714256.db2.gz XQLLQPRQTWDTPV-NSHDSACASA-N 0 0 400.675 5.264 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccc(Br)cc2F)cc(C)c1Cl ZINC000064985005 568714368 /nfs/dbraw/zinc/71/43/68/568714368.db2.gz XQLLQPRQTWDTPV-LLVKDONJSA-N 0 0 400.675 5.264 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc(Br)cc2Cl)cc(C)c1Cl ZINC000064985184 568714269 /nfs/dbraw/zinc/71/42/69/568714269.db2.gz MPIJGWFPDLGKJZ-UHFFFAOYSA-N 0 0 403.103 5.390 40 0 HKABRN O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(Br)cc1Cl ZINC000064985199 568714341 /nfs/dbraw/zinc/71/43/41/568714341.db2.gz GILUWCQOVBVOQA-UHFFFAOYSA-N 0 0 416.702 5.787 40 0 HKABRN COc1ccc(N2C(=O)CC[C@@H](Sc3ccc(C)cc3)[C@H]2c2ccccc2)cc1 ZINC000065090569 558970014 /nfs/dbraw/zinc/97/00/14/558970014.db2.gz CGRQLGWTWPXMCZ-ILBGXUMGSA-N 0 0 403.547 6.033 40 0 HKABRN COc1ccc(N2C(=O)CC[C@H](Sc3ccc(C)cc3)[C@H]2c2ccccc2)cc1 ZINC000065090570 558970043 /nfs/dbraw/zinc/97/00/43/558970043.db2.gz CGRQLGWTWPXMCZ-UKILVPOCSA-N 0 0 403.547 6.033 40 0 HKABRN COc1ccc(N2C(=O)CC[C@@H](Sc3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000065090571 558970044 /nfs/dbraw/zinc/97/00/44/558970044.db2.gz CGRQLGWTWPXMCZ-NOZRDPDXSA-N 0 0 403.547 6.033 40 0 HKABRN COc1ccc(N2C(=O)CC[C@H](Sc3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000065090573 558970114 /nfs/dbraw/zinc/97/01/14/558970114.db2.gz CGRQLGWTWPXMCZ-ZCYQVOJMSA-N 0 0 403.547 6.033 40 0 HKABRN COc1ccc2c(c1)CCC(Br)=C2c1ccc(OCc2ccccc2)cc1 ZINC000065734990 568939963 /nfs/dbraw/zinc/93/99/63/568939963.db2.gz AGUZMTPOIVMGQR-UHFFFAOYSA-N 0 0 421.334 6.375 40 0 in-vitro HKABRN CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@H]21 ZINC000065739682 568940175 /nfs/dbraw/zinc/94/01/75/568940175.db2.gz BIYWBTKPNWCYHM-RLSQPJRHSA-N 0 0 400.559 5.391 40 0 in-vitro HKABRN COc1ccc(Cc2nccc3cc(OCc4ccccc4)c(OC)cc32)cc1OC ZINC000065739693 568940169 /nfs/dbraw/zinc/94/01/69/568940169.db2.gz KAWVGHNWGXLEGF-UHFFFAOYSA-N 0 0 415.489 5.430 40 0 in-vitro HKABRN O=C(NCc1nc(-c2cccs2)no1)c1ccc(CSc2ccccc2)cc1 ZINC000065778549 558981962 /nfs/dbraw/zinc/98/19/62/558981962.db2.gz BPAZAUSKMPDYEX-UHFFFAOYSA-N 0 0 407.520 5.020 40 0 HKABRN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1ccc(O)cc1)C2=O ZINC000066088170 558983318 /nfs/dbraw/zinc/98/33/18/558983318.db2.gz VIPVHSDORHWFBR-JOCHJYFZSA-N 0 0 415.880 5.290 40 0 HKABRN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)N(c1ccc(O)cc1)C2=O ZINC000066088172 558983417 /nfs/dbraw/zinc/98/34/17/558983417.db2.gz VIPVHSDORHWFBR-QFIPXVFZSA-N 0 0 415.880 5.290 40 0 HKABRN O=C(NCc1cc(-c2cccc(Cl)c2)no1)NCc1cccc(C(F)(F)F)c1 ZINC000066089192 560847476 /nfs/dbraw/zinc/84/74/76/560847476.db2.gz ILFHNZWRLJIBPU-UHFFFAOYSA-N 0 0 409.795 5.013 40 0 HKABRN O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)NC1CCCCC1 ZINC000066123318 568714716 /nfs/dbraw/zinc/71/47/16/568714716.db2.gz KDIWCXWYVSLDSO-UHFFFAOYSA-N 0 0 402.454 5.604 40 0 HKABRN O=C(NCc1ccccc1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000066136551 568714690 /nfs/dbraw/zinc/71/46/90/568714690.db2.gz HNAJYJMMBXLVBP-UHFFFAOYSA-N 0 0 410.433 5.472 40 0 HKABRN O=C(NCc1ccco1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000066156267 568714522 /nfs/dbraw/zinc/71/45/22/568714522.db2.gz GIMZRDJNKAVVGW-UHFFFAOYSA-N 0 0 400.394 5.065 40 0 HKABRN CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3c(Cl)ccnc32)CC1 ZINC000067665168 558754435 /nfs/dbraw/zinc/75/44/35/558754435.db2.gz LOTMYBFPXGPIDD-UHFFFAOYSA-N 0 0 417.336 5.541 40 0 in-vitro HKABRN CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3CC=CC(=O)O3)[C@@H]21 ZINC000067665381 558990912 /nfs/dbraw/zinc/99/09/12/558990912.db2.gz BIYWBTKPNWCYHM-UQOCTWFCSA-N 0 0 400.559 5.391 40 0 in-vitro HKABRN CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3CC=CC(=O)O3)[C@H]21 ZINC000067665382 558990884 /nfs/dbraw/zinc/99/08/84/558990884.db2.gz BIYWBTKPNWCYHM-SCUBDHMLSA-N 0 0 400.559 5.391 40 0 in-vitro HKABRN CC[C@H](O)C[C@H](O)CC[C@H]1[C@@H](C)C=CC2=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@H]21 ZINC000067665397 558990881 /nfs/dbraw/zinc/99/08/81/558990881.db2.gz DUYNPSLBGDLWAQ-KFZNPZRXSA-N 0 0 406.607 5.041 40 0 in-vitro HKABRN CC[C@H](O)C[C@@H](O)CC[C@H]1[C@@H](C)C=CC2=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@H]21 ZINC000067665398 558990917 /nfs/dbraw/zinc/99/09/17/558990917.db2.gz DUYNPSLBGDLWAQ-WWUWEVONSA-N 0 0 406.607 5.041 40 0 in-vitro HKABRN CC[C@H](O)C[C@H](O)CC[C@H]1[C@@H](C)C=CC2=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@@H]21 ZINC000067665400 558990847 /nfs/dbraw/zinc/99/08/47/558990847.db2.gz DUYNPSLBGDLWAQ-ZFTCBNFESA-N 0 0 406.607 5.041 40 0 in-vitro HKABRN CC[C@H](O)C[C@@H](O)CC[C@H]1[C@@H](C)C=CC2=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@@H]21 ZINC000067665402 558990920 /nfs/dbraw/zinc/99/09/20/558990920.db2.gz DUYNPSLBGDLWAQ-CQETUWSJSA-N 0 0 406.607 5.041 40 0 in-vitro HKABRN c1ccc(CN(Cc2ccccc2)[C@@H](c2ccccc2)n2nnc3ccccc32)cc1 ZINC000067739246 558992037 /nfs/dbraw/zinc/99/20/37/558992037.db2.gz JPALJJFAMOSJKO-HHHXNRCGSA-N 0 0 404.517 5.681 40 0 HKABRN c1ccc(CN(Cc2ccccc2)[C@H](c2ccccc2)n2nnc3ccccc32)cc1 ZINC000067739247 558992133 /nfs/dbraw/zinc/99/21/33/558992133.db2.gz JPALJJFAMOSJKO-MHZLTWQESA-N 0 0 404.517 5.681 40 0 HKABRN CC(C)(C)OC(=O)N[C@H](Cc1cccc2ccccc21)C(=O)OCc1ccccc1 ZINC000067794545 569283194 /nfs/dbraw/zinc/28/31/94/569283194.db2.gz KLALCPYPHLVAEB-JOCHJYFZSA-N 0 0 405.494 5.019 40 0 HKABRN CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NC(=O)Nc1ccccc1 ZINC000067889983 291289446 /nfs/dbraw/zinc/28/94/46/291289446.db2.gz HQLPEAURCSIKGT-VGSWGCGISA-N 0 0 405.498 5.033 40 0 biogenic,in-vitro HKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 ZINC000068561877 558863491 /nfs/dbraw/zinc/86/34/91/558863491.db2.gz CYJSNZBHAMEETA-XZOQPEGZSA-N 0 0 414.509 5.189 40 0 HKABRN c1ccc2cc3c(cc2c1)C1c2cc4ccccc4cc2C3c2cc3ccccc3cc21 ZINC000068568338 558863493 /nfs/dbraw/zinc/86/34/93/558863493.db2.gz CAOKTVXDEUQWNX-UHFFFAOYSA-N 0 0 404.512 8.133 40 0 HKABRN c1ccc2c(c1)-c1ccccc1C2CCCCCC1c2ccccc2-c2ccccc21 ZINC000068568388 558863484 /nfs/dbraw/zinc/86/34/84/558863484.db2.gz WAAXOJNYZDWMRN-UHFFFAOYSA-N 0 0 400.565 8.562 40 0 HKABRN c1ccc2c(c1)-c1ccccc1C2CCCCCCC1c2ccccc2-c2ccccc21 ZINC000068568389 558863502 /nfs/dbraw/zinc/86/35/02/558863502.db2.gz LOYXWOMINCEKDY-UHFFFAOYSA-N 0 0 414.592 8.952 40 0 HKABRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000068568898 569359089 /nfs/dbraw/zinc/35/90/89/569359089.db2.gz CKGXQXQXIGPTGU-NXKULWTNSA-N 0 0 412.746 9.300 40 0 HKABRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000068568900 558863499 /nfs/dbraw/zinc/86/34/99/558863499.db2.gz CKGXQXQXIGPTGU-CCIZDSAFSA-N 0 0 412.746 9.300 40 0 HKABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000068590728 571133962 /nfs/dbraw/zinc/13/39/62/571133962.db2.gz WQLVFSAGQJTQCK-WHDKYBTRSA-N 0 0 414.630 5.714 40 0 biogenic HKABRN Cc1cc(Br)sc1-c1nnc(-c2sc(Br)cc2C)o1 ZINC000068591673 558863544 /nfs/dbraw/zinc/86/35/44/558863544.db2.gz LBDIZTSYSWJVJL-UHFFFAOYSA-N 0 0 420.151 5.668 40 0 HKABRN Clc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3cc(Cl)ccc3o2)cc1 ZINC000068603144 558863906 /nfs/dbraw/zinc/86/39/06/558863906.db2.gz MOYBCSZRLCXOJO-UHFFFAOYSA-N 0 0 406.272 6.654 40 0 HKABRN COc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3cc(Cl)ccc3o2)cc1 ZINC000068603170 558863830 /nfs/dbraw/zinc/86/38/30/558863830.db2.gz HCZPZSLWKSAFJQ-UHFFFAOYSA-N 0 0 401.853 6.010 40 0 HKABRN COc1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(F)c(Cl)c2)cc1 ZINC000068603304 558863845 /nfs/dbraw/zinc/86/38/45/558863845.db2.gz PYPCAQOEYNNOLA-UHFFFAOYSA-N 0 0 407.876 5.953 40 0 HKABRN Cc1cc(C)c(CC(=O)c2oc3ccccc3c2NC(=O)Cc2ccccc2)c(C)c1 ZINC000068603833 558863962 /nfs/dbraw/zinc/86/39/62/558863962.db2.gz DSHJQYONAILIQX-UHFFFAOYSA-N 0 0 411.501 5.965 40 0 HKABRN CC(C)Sc1ccccc1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000069252325 558870000 /nfs/dbraw/zinc/87/00/00/558870000.db2.gz NGRWCQIDTCOVOF-UHFFFAOYSA-N 0 0 401.582 5.583 40 0 HKABRN Clc1ccc(NCc2nn3cc(-c4ccccc4Cl)c4c3n2CCCC4)cc1 ZINC000070453432 558892016 /nfs/dbraw/zinc/89/20/16/558892016.db2.gz VGNDMECEVSMVKZ-UHFFFAOYSA-N 0 0 411.336 6.058 40 0 HKABRN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C ZINC000070454283 569352509 /nfs/dbraw/zinc/35/25/09/569352509.db2.gz ARYTXMNEANMLMU-FPCVOIBVSA-N 0 0 402.707 7.715 40 0 HKABRN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc3ccccc3c(Cl)c2OC)c1 ZINC000070461126 558891972 /nfs/dbraw/zinc/89/19/72/558891972.db2.gz QFPLSDAXSGHASW-UHFFFAOYSA-N 0 0 417.292 5.756 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc3nn(-c4cccc5ccccc54)nc3c2)c(C)c1 ZINC000070461133 558892083 /nfs/dbraw/zinc/89/20/83/558892083.db2.gz SCKMHQYETNYSJS-UHFFFAOYSA-N 0 0 422.488 5.208 40 0 HKABRN O=Cc1ccc(-c2cc(Br)c(Br)c(Br)c2)o1 ZINC000070461230 558892076 /nfs/dbraw/zinc/89/20/76/558892076.db2.gz NRAXAVYZSLXCGG-UHFFFAOYSA-N 0 0 408.871 5.047 40 0 HKABRN CC(C)c1ccc(-c2nc3cc(Br)c(N)c(Br)c3o2)cc1 ZINC000070461290 568918289 /nfs/dbraw/zinc/91/82/89/568918289.db2.gz ZSEHVMGNLUQFFR-UHFFFAOYSA-N 0 0 410.109 5.725 40 0 HKABRN CC(C)(C)c1ccc(-c2nc3cc(Br)c(N)c(Br)c3o2)cc1 ZINC000070461291 568918167 /nfs/dbraw/zinc/91/81/67/568918167.db2.gz YEDWJUXOSKQJAB-UHFFFAOYSA-N 0 0 424.136 5.900 40 0 HKABRN Nc1c(Br)cc2nc(-c3cccc4ccccc43)oc2c1Br ZINC000070461319 568918203 /nfs/dbraw/zinc/91/82/03/568918203.db2.gz VYKZFPHXKBAIGG-UHFFFAOYSA-N 0 0 418.088 5.755 40 0 HKABRN Nc1c(Br)cc2nc(-c3ccc(Cl)cc3)oc2c1Br ZINC000070461354 568918286 /nfs/dbraw/zinc/91/82/86/568918286.db2.gz BKUQPLJFZFRDGC-UHFFFAOYSA-N 0 0 402.473 5.255 40 0 HKABRN Nc1c(Br)cc2nc(-c3cccc(Cl)c3)oc2c1Br ZINC000070461359 568918190 /nfs/dbraw/zinc/91/81/90/568918190.db2.gz KKWUTQKZBVGLMH-UHFFFAOYSA-N 0 0 402.473 5.255 40 0 HKABRN Cc1ccc(-c2nc3cc(Br)c(N)c(Br)c3o2)cc1Cl ZINC000070461406 568918186 /nfs/dbraw/zinc/91/81/86/568918186.db2.gz XJHCBALFNHURQP-UHFFFAOYSA-N 0 0 416.500 5.564 40 0 HKABRN Nc1c(Br)cc2nc(Cc3ccc(Cl)cc3)oc2c1Br ZINC000070461413 568918252 /nfs/dbraw/zinc/91/82/52/568918252.db2.gz ZBENOQPRNLPHMP-UHFFFAOYSA-N 0 0 416.500 5.179 40 0 HKABRN Clc1ccc2oc(-c3ccc(NCc4ccc(Br)cc4)cc3)nc2c1 ZINC000070461604 568918281 /nfs/dbraw/zinc/91/82/81/568918281.db2.gz MBLFEVBXWQZLDU-UHFFFAOYSA-N 0 0 413.702 6.523 40 0 HKABRN Clc1ccc2oc(-c3ccc(NCc4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000070461605 568918144 /nfs/dbraw/zinc/91/81/44/568918144.db2.gz GPZOOFJWAVKGCH-UHFFFAOYSA-N 0 0 403.696 7.067 40 0 HKABRN CC(C)c1ccc2oc(-c3cc(NC(=O)C(Cl)(Cl)Cl)ccc3O)nc2c1 ZINC000070462011 568918226 /nfs/dbraw/zinc/91/82/26/568918226.db2.gz UXCQHOMFVAWPQD-UHFFFAOYSA-N 0 0 413.688 5.633 40 0 HKABRN CCc1ccc2oc(-c3cc(NC(=O)C(Cl)(Cl)Cl)cc(C)c3O)nc2c1 ZINC000070462012 568918291 /nfs/dbraw/zinc/91/82/91/568918291.db2.gz CTLFICAITGWEAD-UHFFFAOYSA-N 0 0 413.688 5.380 40 0 HKABRN CC(C)c1ccc2oc(-c3ccc(NC(=O)C(Cl)(Cl)Cl)cc3O)nc2c1 ZINC000070462057 568918212 /nfs/dbraw/zinc/91/82/12/568918212.db2.gz FZWDJIHKGGAFPP-UHFFFAOYSA-N 0 0 413.688 5.633 40 0 HKABRN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)C(Cl)(Cl)Cl ZINC000070462060 568918276 /nfs/dbraw/zinc/91/82/76/568918276.db2.gz JBNBEYOGGVBKON-UHFFFAOYSA-N 0 0 406.052 5.163 40 0 HKABRN O=C(Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)C(Cl)(Cl)Cl ZINC000070462068 568918258 /nfs/dbraw/zinc/91/82/58/568918258.db2.gz SFAKAMUOHLDAHD-UHFFFAOYSA-N 0 0 406.052 5.163 40 0 HKABRN Cc1cc(NC(=O)C(Cl)(Cl)Cl)cc(-c2nc3cc(Cl)ccc3o2)c1O ZINC000070462069 568918217 /nfs/dbraw/zinc/91/82/17/568918217.db2.gz TZXKJDBBENKQSO-UHFFFAOYSA-N 0 0 420.079 5.471 40 0 HKABRN Clc1cc(-c2nc3cc(-n4cnnc4)ccc3o2)cc(Cl)c1Br ZINC000070462186 568918280 /nfs/dbraw/zinc/91/82/80/568918280.db2.gz DSPXKBFPGDGTMF-UHFFFAOYSA-N 0 0 410.058 5.145 40 0 HKABRN COc1ccc(C(=O)CSc2n[nH]c(SCc3cccc4ccccc43)n2)cc1 ZINC000070503700 558892542 /nfs/dbraw/zinc/89/25/42/558892542.db2.gz XBJGCEHRZIPAEX-UHFFFAOYSA-N 0 0 421.547 5.234 40 0 HKABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000070688034 569413247 /nfs/dbraw/zinc/41/32/47/569413247.db2.gz WQLVFSAGQJTQCK-KMVSSOTPSA-N 0 0 414.630 5.714 40 0 biogenic HKABRN C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000070688037 569413289 /nfs/dbraw/zinc/41/32/89/569413289.db2.gz WQLVFSAGQJTQCK-SZMJHSKPSA-N 0 0 414.630 5.714 40 0 biogenic HKABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4=CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000070691696 569413399 /nfs/dbraw/zinc/41/33/99/569413399.db2.gz QCVKYDNFSXDPSW-NGAWEBMDSA-N 0 0 414.630 5.714 40 0 biogenic HKABRN C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4=CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000070691697 569413451 /nfs/dbraw/zinc/41/34/51/569413451.db2.gz QCVKYDNFSXDPSW-JGRBCBRCSA-N 0 0 414.630 5.714 40 0 biogenic HKABRN Brc1cc(Br)c(Oc2ccccc2)c(Br)c1 ZINC000071256933 558896235 /nfs/dbraw/zinc/89/62/35/558896235.db2.gz TVZAPPGLBLTACB-UHFFFAOYSA-N 0 0 406.899 5.766 40 0 HKABRN Clc1ccc(/C=C/c2nn3c(CN4CCCCCC4)nnc3s2)c(Cl)c1 ZINC000071260615 558896389 /nfs/dbraw/zinc/89/63/89/558896389.db2.gz CMRMNLQHTJXJKY-SOFGYWHQSA-N 0 0 408.358 5.039 40 0 HKABRN COc1ccc([C@H](NC(=O)/C=C(\c2ccccc2)C2CCCC2)c2ccccc2)cc1 ZINC000071260637 558896506 /nfs/dbraw/zinc/89/65/06/558896506.db2.gz KXTJATROTDXBTJ-MYYVYBLQSA-N 0 0 411.545 6.175 40 0 HKABRN COc1ccc([C@@H](NC(=O)/C=C(\c2ccccc2)C2CCCC2)c2ccccc2)cc1 ZINC000071260638 558896495 /nfs/dbraw/zinc/89/64/95/558896495.db2.gz KXTJATROTDXBTJ-NIJSQZSCSA-N 0 0 411.545 6.175 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000071281172 558864640 /nfs/dbraw/zinc/86/46/40/558864640.db2.gz OYXZMSRRJOYLLO-XIVKUWEPSA-N 0 0 402.663 6.360 40 0 HKABRN O=C(Nc1ccccc1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000071316700 558805575 /nfs/dbraw/zinc/80/55/75/558805575.db2.gz URITUNRITOCNMS-UHFFFAOYSA-N 0 0 416.484 6.608 40 0 HKABRN Cc1nc2ccc(C)cn2c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000071459155 558900337 /nfs/dbraw/zinc/90/03/37/558900337.db2.gz NNPGJMRLSZGTSJ-UHFFFAOYSA-N 0 0 401.310 5.241 40 0 HKABRN Cc1ccc(/C=C\c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)o1 ZINC000071606487 558890287 /nfs/dbraw/zinc/89/02/87/558890287.db2.gz XOPKKHCDIAYUSK-PLNGDYQASA-N 0 0 421.926 5.597 40 0 HKABRN CC1(C)CC[C@@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC=CC(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 ZINC000071775105 558808511 /nfs/dbraw/zinc/80/85/11/558808511.db2.gz IZPGPXVZTJYAGW-FATXVQPASA-N 0 0 408.714 8.974 40 0 HKABRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC=CC(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 ZINC000071775106 558808506 /nfs/dbraw/zinc/80/85/06/558808506.db2.gz IZPGPXVZTJYAGW-MBOGDGODSA-N 0 0 408.714 8.974 40 0 HKABRN CC1(C)CC[C@@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC=CC(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000071775107 558808528 /nfs/dbraw/zinc/80/85/28/558808528.db2.gz IZPGPXVZTJYAGW-FQAQHBPXSA-N 0 0 408.714 8.974 40 0 HKABRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC=CC(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000071775108 558808476 /nfs/dbraw/zinc/80/84/76/558808476.db2.gz IZPGPXVZTJYAGW-JNMDXBJLSA-N 0 0 408.714 8.974 40 0 HKABRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc5c(c4)OCO5)[C@H](O)[C@]3(C)CC[C@H]21 ZINC000071782828 558805683 /nfs/dbraw/zinc/80/56/83/558805683.db2.gz JFDHIMAJTWDPBB-AGKFQTPCSA-N 0 0 418.533 5.334 40 0 HKABRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc5c(c4)OCO5)[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000071782829 558805650 /nfs/dbraw/zinc/80/56/50/558805650.db2.gz JFDHIMAJTWDPBB-SABNAMAXSA-N 0 0 418.533 5.334 40 0 HKABRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc5c(c4)OCO5)[C@H](O)[C@]3(C)CC[C@@H]21 ZINC000071782830 558805685 /nfs/dbraw/zinc/80/56/85/558805685.db2.gz JFDHIMAJTWDPBB-ILGPUDOCSA-N 0 0 418.533 5.334 40 0 HKABRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc5c(c4)OCO5)[C@H](O)[C@@]3(C)CC[C@@H]21 ZINC000071782831 558805633 /nfs/dbraw/zinc/80/56/33/558805633.db2.gz JFDHIMAJTWDPBB-QEWHBBEVSA-N 0 0 418.533 5.334 40 0 HKABRN ClC1=C(Cl)[C@]2(Cl)C(c3ccccc3)=C(c3ccccc3)[C@H]1C2(Cl)Cl ZINC000071782978 558911730 /nfs/dbraw/zinc/91/17/30/558911730.db2.gz JMLMIYNEEGMNER-CRAIPNDOSA-N 0 0 416.562 7.082 40 0 HKABRN BrC1(Br)[C@@H]2CC3=CC[C@@]21CCCCCCCCCCCC3 ZINC000071785836 558911784 /nfs/dbraw/zinc/91/17/84/558911784.db2.gz RJLWWTDGDILRQF-MSOLQXFVSA-N 0 0 418.257 7.504 40 0 HKABRN Cc1cccc([C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1 ZINC000071787080 558911775 /nfs/dbraw/zinc/91/17/75/558911775.db2.gz RMCHDBUEIWMOCY-JGCGQSQUSA-N 0 0 424.587 8.162 40 0 HKABRN Cc1cccc([C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1 ZINC000071787081 558911906 /nfs/dbraw/zinc/91/19/06/558911906.db2.gz RMCHDBUEIWMOCY-YTTGMZPUSA-N 0 0 424.587 8.162 40 0 HKABRN C[C@H]1C[C@H](c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000071787240 558808512 /nfs/dbraw/zinc/80/85/12/558808512.db2.gz LRIHIWBTHWOYBB-HHAUIOSTSA-N 0 0 402.581 8.161 40 0 HKABRN C[C@@H]1C[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000071787241 558808486 /nfs/dbraw/zinc/80/84/86/558808486.db2.gz LRIHIWBTHWOYBB-IRVFTMDJSA-N 0 0 402.581 8.161 40 0 HKABRN C[C@H]1C[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000071787242 558808490 /nfs/dbraw/zinc/80/84/90/558808490.db2.gz LRIHIWBTHWOYBB-JWJTUTPFSA-N 0 0 402.581 8.161 40 0 HKABRN CC1(C)C[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000071787244 558808521 /nfs/dbraw/zinc/80/85/21/558808521.db2.gz KZSPFWUYMYGYBL-ORYMTKCHSA-N 0 0 416.608 8.552 40 0 HKABRN CC1(C)C[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000071787245 558808524 /nfs/dbraw/zinc/80/85/24/558808524.db2.gz KZSPFWUYMYGYBL-VKONIRKNSA-N 0 0 416.608 8.552 40 0 HKABRN CC1(C)C[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000071787246 558808488 /nfs/dbraw/zinc/80/84/88/558808488.db2.gz KZSPFWUYMYGYBL-JVVMDBNWSA-N 0 0 416.608 8.552 40 0 HKABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000071806461 558808500 /nfs/dbraw/zinc/80/85/00/558808500.db2.gz ZOEMAMQOKPGMNP-UHFFFAOYSA-N 0 0 420.490 5.103 40 0 HKABRN O=C(Cn1ccc(=O)c2ccccc21)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000072034306 558920824 /nfs/dbraw/zinc/92/08/24/558920824.db2.gz JIWAWUWWJLHOQS-UHFFFAOYSA-N 0 0 404.853 5.086 40 0 HKABRN Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c(Cl)c1 ZINC000072193773 558930842 /nfs/dbraw/zinc/93/08/42/558930842.db2.gz DYHMHUHNWUQOJS-UHFFFAOYSA-N 0 0 421.368 5.864 40 0 HKABRN O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212049 559168119 /nfs/dbraw/zinc/16/81/19/559168119.db2.gz AWEZYSKNTHTURT-QHCPKHFHSA-N 0 0 402.494 5.524 40 0 HKABRN O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212050 559168102 /nfs/dbraw/zinc/16/81/02/559168102.db2.gz AWEZYSKNTHTURT-HSZRJFAPSA-N 0 0 402.494 5.524 40 0 HKABRN O=C(OCc1ccccc1)N1CCCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212109 559168057 /nfs/dbraw/zinc/16/80/57/559168057.db2.gz BAGNMQYOXFUSMA-QHCPKHFHSA-N 0 0 402.494 5.524 40 0 HKABRN O=C(OCc1ccccc1)N1CCCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212110 559168125 /nfs/dbraw/zinc/16/81/25/559168125.db2.gz BAGNMQYOXFUSMA-HSZRJFAPSA-N 0 0 402.494 5.524 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(Oc3ccccc3)nc2)cc1 ZINC000072212177 559168200 /nfs/dbraw/zinc/16/82/00/559168200.db2.gz LSJIFABRHMPDFP-JOCHJYFZSA-N 0 0 408.523 5.098 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(Oc3ccccc3)nc2)cc1 ZINC000072212178 559168263 /nfs/dbraw/zinc/16/82/63/559168263.db2.gz LSJIFABRHMPDFP-QFIPXVFZSA-N 0 0 408.523 5.098 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2Oc2ccccc2)cc1 ZINC000072212237 559168197 /nfs/dbraw/zinc/16/81/97/559168197.db2.gz XLVYWLLUTYLFNM-JOCHJYFZSA-N 0 0 408.523 5.098 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2Oc2ccccc2)cc1 ZINC000072212238 559168245 /nfs/dbraw/zinc/16/82/45/559168245.db2.gz XLVYWLLUTYLFNM-QFIPXVFZSA-N 0 0 408.523 5.098 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2NC2CCCCC2)cc1 ZINC000072214056 559168202 /nfs/dbraw/zinc/16/82/02/559168202.db2.gz CEKBGSIETQDSEB-JOCHJYFZSA-N 0 0 413.587 5.051 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2NC2CCCCC2)cc1 ZINC000072214057 559168229 /nfs/dbraw/zinc/16/82/29/559168229.db2.gz CEKBGSIETQDSEB-QFIPXVFZSA-N 0 0 413.587 5.051 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(Nc3ccccc3)nc2)cc1 ZINC000072214116 559168208 /nfs/dbraw/zinc/16/82/08/559168208.db2.gz OKLPGLGFKLXZRD-JOCHJYFZSA-N 0 0 407.539 5.050 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(Nc3ccccc3)nc2)cc1 ZINC000072214117 559168213 /nfs/dbraw/zinc/16/82/13/559168213.db2.gz OKLPGLGFKLXZRD-QFIPXVFZSA-N 0 0 407.539 5.050 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2Nc2ccccc2)cc1 ZINC000072214176 559168261 /nfs/dbraw/zinc/16/82/61/559168261.db2.gz IGTZIYASLZNHCW-JOCHJYFZSA-N 0 0 407.539 5.050 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2Nc2ccccc2)cc1 ZINC000072214177 559168251 /nfs/dbraw/zinc/16/82/51/559168251.db2.gz IGTZIYASLZNHCW-QFIPXVFZSA-N 0 0 407.539 5.050 40 0 HKABRN CN(c1ccccc1)c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072214228 559168216 /nfs/dbraw/zinc/16/82/16/559168216.db2.gz KSEMJBPGAJIGRV-QHCPKHFHSA-N 0 0 401.510 5.713 40 0 HKABRN CN(c1ccccc1)c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072214229 559168259 /nfs/dbraw/zinc/16/82/59/559168259.db2.gz KSEMJBPGAJIGRV-HSZRJFAPSA-N 0 0 401.510 5.713 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N(C)c3ccccc3)nc2)cc1 ZINC000072214236 559168256 /nfs/dbraw/zinc/16/82/56/559168256.db2.gz BIGDVMCGQUZDPS-HSZRJFAPSA-N 0 0 421.566 5.074 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N(C)c3ccccc3)nc2)cc1 ZINC000072214237 559168221 /nfs/dbraw/zinc/16/82/21/559168221.db2.gz BIGDVMCGQUZDPS-QHCPKHFHSA-N 0 0 421.566 5.074 40 0 HKABRN CN(c1ccccc1)c1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072214288 559168225 /nfs/dbraw/zinc/16/82/25/559168225.db2.gz FPAFZEOHUDPGDN-QHCPKHFHSA-N 0 0 401.510 5.713 40 0 HKABRN CN(c1ccccc1)c1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072214289 559168283 /nfs/dbraw/zinc/16/82/83/559168283.db2.gz FPAFZEOHUDPGDN-HSZRJFAPSA-N 0 0 401.510 5.713 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2N(C)c2ccccc2)cc1 ZINC000072214296 559168302 /nfs/dbraw/zinc/16/83/02/559168302.db2.gz MJRYNGIFHAFBNR-HSZRJFAPSA-N 0 0 421.566 5.074 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2N(C)c2ccccc2)cc1 ZINC000072214297 559168328 /nfs/dbraw/zinc/16/83/28/559168328.db2.gz MJRYNGIFHAFBNR-QHCPKHFHSA-N 0 0 421.566 5.074 40 0 HKABRN CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072214348 559168349 /nfs/dbraw/zinc/16/83/49/559168349.db2.gz OZIMHGSTLMKGOB-IBGZPJMESA-N 0 0 411.502 5.292 40 0 HKABRN CC(C)(C)OC(=O)Nc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 ZINC000072214349 559168317 /nfs/dbraw/zinc/16/83/17/559168317.db2.gz OZIMHGSTLMKGOB-LJQANCHMSA-N 0 0 411.502 5.292 40 0 HKABRN CC(C)(C)OC(=O)Nc1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072214408 559168314 /nfs/dbraw/zinc/16/83/14/559168314.db2.gz YSRBAHYWADYIOH-IBGZPJMESA-N 0 0 411.502 5.292 40 0 HKABRN CC(C)(C)OC(=O)Nc1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072214409 559168329 /nfs/dbraw/zinc/16/83/29/559168329.db2.gz YSRBAHYWADYIOH-LJQANCHMSA-N 0 0 411.502 5.292 40 0 HKABRN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072214555 559168310 /nfs/dbraw/zinc/16/83/10/559168310.db2.gz VSYXTFYMJKHPPQ-SFHVURJKSA-N 0 0 419.566 5.551 40 0 HKABRN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072214556 559168306 /nfs/dbraw/zinc/16/83/06/559168306.db2.gz VSYXTFYMJKHPPQ-GOSISDBHSA-N 0 0 419.566 5.551 40 0 HKABRN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072214565 559168298 /nfs/dbraw/zinc/16/82/98/559168298.db2.gz REULMBCRQJVKBK-NRFANRHFSA-N 0 0 423.557 5.456 40 0 HKABRN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072214566 559168325 /nfs/dbraw/zinc/16/83/25/559168325.db2.gz REULMBCRQJVKBK-OAQYLSRUSA-N 0 0 423.557 5.456 40 0 HKABRN CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072214646 559168295 /nfs/dbraw/zinc/16/82/95/559168295.db2.gz LDEIWGAYUVFAHM-KRWDZBQOSA-N 0 0 405.539 5.305 40 0 HKABRN CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072214647 559168320 /nfs/dbraw/zinc/16/83/20/559168320.db2.gz LDEIWGAYUVFAHM-QGZVFWFLSA-N 0 0 405.539 5.305 40 0 HKABRN CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072214654 559168312 /nfs/dbraw/zinc/16/83/12/559168312.db2.gz VXZOXSLJVQPTKA-FQEVSTJZSA-N 0 0 409.530 5.210 40 0 HKABRN CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072214655 559168323 /nfs/dbraw/zinc/16/83/23/559168323.db2.gz VXZOXSLJVQPTKA-HXUWFJFHSA-N 0 0 409.530 5.210 40 0 HKABRN CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072214675 559168468 /nfs/dbraw/zinc/16/84/68/559168468.db2.gz VPPHPPZONTUSKV-KRWDZBQOSA-N 0 0 405.539 5.305 40 0 HKABRN CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072214676 559168448 /nfs/dbraw/zinc/16/84/48/559168448.db2.gz VPPHPPZONTUSKV-QGZVFWFLSA-N 0 0 405.539 5.305 40 0 HKABRN CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072214685 559168422 /nfs/dbraw/zinc/16/84/22/559168422.db2.gz NIFYVGWXDMNTFV-FQEVSTJZSA-N 0 0 409.530 5.210 40 0 HKABRN CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072214686 559168458 /nfs/dbraw/zinc/16/84/58/559168458.db2.gz NIFYVGWXDMNTFV-HXUWFJFHSA-N 0 0 409.530 5.210 40 0 HKABRN CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072214706 559168486 /nfs/dbraw/zinc/16/84/86/559168486.db2.gz AJWSJIFRLWVWJC-SFHVURJKSA-N 0 0 419.566 5.695 40 0 HKABRN CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072214707 559168443 /nfs/dbraw/zinc/16/84/43/559168443.db2.gz AJWSJIFRLWVWJC-GOSISDBHSA-N 0 0 419.566 5.695 40 0 HKABRN CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072214714 559168412 /nfs/dbraw/zinc/16/84/12/559168412.db2.gz BMTOVFCWAWSMCZ-NRFANRHFSA-N 0 0 423.557 5.601 40 0 HKABRN CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072214715 559168457 /nfs/dbraw/zinc/16/84/57/559168457.db2.gz BMTOVFCWAWSMCZ-OAQYLSRUSA-N 0 0 423.557 5.601 40 0 HKABRN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072214735 559168451 /nfs/dbraw/zinc/16/84/51/559168451.db2.gz XZUZLQVTRUJRFE-KRWDZBQOSA-N 0 0 405.539 5.305 40 0 HKABRN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072214736 559168464 /nfs/dbraw/zinc/16/84/64/559168464.db2.gz XZUZLQVTRUJRFE-QGZVFWFLSA-N 0 0 405.539 5.305 40 0 HKABRN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072214745 559168429 /nfs/dbraw/zinc/16/84/29/559168429.db2.gz IZHJAWHIQVKKJY-FQEVSTJZSA-N 0 0 409.530 5.210 40 0 HKABRN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072214746 559168465 /nfs/dbraw/zinc/16/84/65/559168465.db2.gz IZHJAWHIQVKKJY-HXUWFJFHSA-N 0 0 409.530 5.210 40 0 HKABRN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072214766 559168441 /nfs/dbraw/zinc/16/84/41/559168441.db2.gz AUZHVZJOUBCUJV-SFHVURJKSA-N 0 0 419.566 5.695 40 0 HKABRN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072214767 559168484 /nfs/dbraw/zinc/16/84/84/559168484.db2.gz AUZHVZJOUBCUJV-GOSISDBHSA-N 0 0 419.566 5.695 40 0 HKABRN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072214774 559168461 /nfs/dbraw/zinc/16/84/61/559168461.db2.gz RQSMFTQPJPQPQP-NRFANRHFSA-N 0 0 423.557 5.601 40 0 HKABRN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072214775 559168482 /nfs/dbraw/zinc/16/84/82/559168482.db2.gz RQSMFTQPJPQPQP-OAQYLSRUSA-N 0 0 423.557 5.601 40 0 HKABRN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072214826 559168445 /nfs/dbraw/zinc/16/84/45/559168445.db2.gz SPIVGHOIJIAFRI-KRWDZBQOSA-N 0 0 405.539 5.305 40 0 HKABRN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072214827 559168491 /nfs/dbraw/zinc/16/84/91/559168491.db2.gz SPIVGHOIJIAFRI-QGZVFWFLSA-N 0 0 405.539 5.305 40 0 HKABRN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072214834 559168460 /nfs/dbraw/zinc/16/84/60/559168460.db2.gz CUGQFDADQHFYNH-FQEVSTJZSA-N 0 0 409.530 5.210 40 0 HKABRN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072214835 559168489 /nfs/dbraw/zinc/16/84/89/559168489.db2.gz CUGQFDADQHFYNH-HXUWFJFHSA-N 0 0 409.530 5.210 40 0 HKABRN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072214855 559168575 /nfs/dbraw/zinc/16/85/75/559168575.db2.gz MKSJVBYALVEDAF-KRWDZBQOSA-N 0 0 405.539 5.304 40 0 HKABRN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072214856 559168594 /nfs/dbraw/zinc/16/85/94/559168594.db2.gz MKSJVBYALVEDAF-QGZVFWFLSA-N 0 0 405.539 5.304 40 0 HKABRN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072214865 559168625 /nfs/dbraw/zinc/16/86/25/559168625.db2.gz TWAQXAXUXPUTMD-FQEVSTJZSA-N 0 0 409.530 5.209 40 0 HKABRN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072214866 559168622 /nfs/dbraw/zinc/16/86/22/559168622.db2.gz TWAQXAXUXPUTMD-HXUWFJFHSA-N 0 0 409.530 5.209 40 0 HKABRN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072214886 559168628 /nfs/dbraw/zinc/16/86/28/559168628.db2.gz XXJPLDXGQVXLMA-SFHVURJKSA-N 0 0 419.566 5.694 40 0 HKABRN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000072214887 559168609 /nfs/dbraw/zinc/16/86/09/559168609.db2.gz XXJPLDXGQVXLMA-GOSISDBHSA-N 0 0 419.566 5.694 40 0 HKABRN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072214894 559168619 /nfs/dbraw/zinc/16/86/19/559168619.db2.gz LQXWSCADSWBTGY-NRFANRHFSA-N 0 0 423.557 5.599 40 0 HKABRN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 ZINC000072214895 559168614 /nfs/dbraw/zinc/16/86/14/559168614.db2.gz LQXWSCADSWBTGY-OAQYLSRUSA-N 0 0 423.557 5.599 40 0 HKABRN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072214915 559168568 /nfs/dbraw/zinc/16/85/68/559168568.db2.gz RILUQSMIDVWCKQ-KRWDZBQOSA-N 0 0 405.539 5.304 40 0 HKABRN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072214916 559168613 /nfs/dbraw/zinc/16/86/13/559168613.db2.gz RILUQSMIDVWCKQ-QGZVFWFLSA-N 0 0 405.539 5.304 40 0 HKABRN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072214925 559168591 /nfs/dbraw/zinc/16/85/91/559168591.db2.gz NWSFGEGBFVATOR-FQEVSTJZSA-N 0 0 409.530 5.209 40 0 HKABRN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072214926 559168571 /nfs/dbraw/zinc/16/85/71/559168571.db2.gz NWSFGEGBFVATOR-HXUWFJFHSA-N 0 0 409.530 5.209 40 0 HKABRN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072214946 559168598 /nfs/dbraw/zinc/16/85/98/559168598.db2.gz QBZPXADAQBJCGY-SFHVURJKSA-N 0 0 419.566 5.694 40 0 HKABRN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072214947 559168589 /nfs/dbraw/zinc/16/85/89/559168589.db2.gz QBZPXADAQBJCGY-GOSISDBHSA-N 0 0 419.566 5.694 40 0 HKABRN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072214954 559168651 /nfs/dbraw/zinc/16/86/51/559168651.db2.gz VARSQZHWALDXGL-NRFANRHFSA-N 0 0 423.557 5.599 40 0 HKABRN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072214955 559168597 /nfs/dbraw/zinc/16/85/97/559168597.db2.gz VARSQZHWALDXGL-OAQYLSRUSA-N 0 0 423.557 5.599 40 0 HKABRN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072214975 559168630 /nfs/dbraw/zinc/16/86/30/559168630.db2.gz DZKFDPDPUUGDMF-SFHVURJKSA-N 0 0 419.566 5.695 40 0 HKABRN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072214976 559168660 /nfs/dbraw/zinc/16/86/60/559168660.db2.gz DZKFDPDPUUGDMF-GOSISDBHSA-N 0 0 419.566 5.695 40 0 HKABRN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072214985 559168586 /nfs/dbraw/zinc/16/85/86/559168586.db2.gz ITGYNCJXAVRZHJ-NRFANRHFSA-N 0 0 423.557 5.601 40 0 HKABRN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072214986 559168617 /nfs/dbraw/zinc/16/86/17/559168617.db2.gz ITGYNCJXAVRZHJ-OAQYLSRUSA-N 0 0 423.557 5.601 40 0 HKABRN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072215035 559168680 /nfs/dbraw/zinc/16/86/80/559168680.db2.gz ZTDLPPDAYZROPM-SFHVURJKSA-N 0 0 419.566 5.695 40 0 HKABRN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072215036 559168691 /nfs/dbraw/zinc/16/86/91/559168691.db2.gz ZTDLPPDAYZROPM-GOSISDBHSA-N 0 0 419.566 5.695 40 0 HKABRN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072215045 559168709 /nfs/dbraw/zinc/16/87/09/559168709.db2.gz IPHJXLZYPQZWNJ-NRFANRHFSA-N 0 0 423.557 5.601 40 0 HKABRN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072215046 559168734 /nfs/dbraw/zinc/16/87/34/559168734.db2.gz IPHJXLZYPQZWNJ-OAQYLSRUSA-N 0 0 423.557 5.601 40 0 HKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072215111 559168749 /nfs/dbraw/zinc/16/87/49/559168749.db2.gz HEWKWNZSIJEDGZ-AEFFLSMTSA-N 0 0 419.566 5.694 40 0 HKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072215112 559168751 /nfs/dbraw/zinc/16/87/51/559168751.db2.gz HEWKWNZSIJEDGZ-WMZOPIPTSA-N 0 0 419.566 5.694 40 0 HKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072215113 559168740 /nfs/dbraw/zinc/16/87/40/559168740.db2.gz HEWKWNZSIJEDGZ-SJLPKXTDSA-N 0 0 419.566 5.694 40 0 HKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000072215114 559168698 /nfs/dbraw/zinc/16/86/98/559168698.db2.gz HEWKWNZSIJEDGZ-FUHWJXTLSA-N 0 0 419.566 5.694 40 0 HKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072215127 559168664 /nfs/dbraw/zinc/16/86/64/559168664.db2.gz DHNDPOMODFQLRV-NQIIRXRSSA-N 0 0 423.557 5.599 40 0 HKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072215128 559168747 /nfs/dbraw/zinc/16/87/47/559168747.db2.gz DHNDPOMODFQLRV-RXVVDRJESA-N 0 0 423.557 5.599 40 0 HKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072215129 559168692 /nfs/dbraw/zinc/16/86/92/559168692.db2.gz DHNDPOMODFQLRV-WIYYLYMNSA-N 0 0 423.557 5.599 40 0 HKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 ZINC000072215130 559168690 /nfs/dbraw/zinc/16/86/90/559168690.db2.gz DHNDPOMODFQLRV-GHTZIAJQSA-N 0 0 423.557 5.599 40 0 HKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072215223 559168843 /nfs/dbraw/zinc/16/88/43/559168843.db2.gz YJAYISCSPXCHDR-AEFFLSMTSA-N 0 0 419.566 5.694 40 0 HKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072215224 559168883 /nfs/dbraw/zinc/16/88/83/559168883.db2.gz YJAYISCSPXCHDR-WMZOPIPTSA-N 0 0 419.566 5.694 40 0 HKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072215225 559168874 /nfs/dbraw/zinc/16/88/74/559168874.db2.gz YJAYISCSPXCHDR-SJLPKXTDSA-N 0 0 419.566 5.694 40 0 HKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072215226 559168871 /nfs/dbraw/zinc/16/88/71/559168871.db2.gz YJAYISCSPXCHDR-FUHWJXTLSA-N 0 0 419.566 5.694 40 0 HKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072215239 559168889 /nfs/dbraw/zinc/16/88/89/559168889.db2.gz WJXOZKTYYRFNDK-NQIIRXRSSA-N 0 0 423.557 5.599 40 0 HKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072215240 559168845 /nfs/dbraw/zinc/16/88/45/559168845.db2.gz WJXOZKTYYRFNDK-RXVVDRJESA-N 0 0 423.557 5.599 40 0 HKABRN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072215241 559168899 /nfs/dbraw/zinc/16/88/99/559168899.db2.gz WJXOZKTYYRFNDK-WIYYLYMNSA-N 0 0 423.557 5.599 40 0 HKABRN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072215242 559168904 /nfs/dbraw/zinc/16/89/04/559168904.db2.gz WJXOZKTYYRFNDK-GHTZIAJQSA-N 0 0 423.557 5.599 40 0 HKABRN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1)C1CC1 ZINC000072215319 559168819 /nfs/dbraw/zinc/16/88/19/559168819.db2.gz SXHPTWQGGYQWQT-QGZVFWFLSA-N 0 0 403.523 5.058 40 0 HKABRN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1)C1CC1 ZINC000072215320 559168865 /nfs/dbraw/zinc/16/88/65/559168865.db2.gz SXHPTWQGGYQWQT-KRWDZBQOSA-N 0 0 403.523 5.058 40 0 HKABRN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1)C1CC1 ZINC000072215350 559168880 /nfs/dbraw/zinc/16/88/80/559168880.db2.gz PLVZVPDNCJKAIT-GOSISDBHSA-N 0 0 417.550 5.448 40 0 HKABRN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1)C1CC1 ZINC000072215351 559168887 /nfs/dbraw/zinc/16/88/87/559168887.db2.gz PLVZVPDNCJKAIT-SFHVURJKSA-N 0 0 417.550 5.448 40 0 HKABRN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1)C1CC1 ZINC000072215358 559168847 /nfs/dbraw/zinc/16/88/47/559168847.db2.gz HLZHBSPVJFKMKP-NRFANRHFSA-N 0 0 421.541 5.353 40 0 HKABRN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1)C1CC1 ZINC000072215359 559168873 /nfs/dbraw/zinc/16/88/73/559168873.db2.gz HLZHBSPVJFKMKP-OAQYLSRUSA-N 0 0 421.541 5.353 40 0 HKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000072215379 559168897 /nfs/dbraw/zinc/16/88/97/559168897.db2.gz YCLLZKMQSYXEEA-QGZVFWFLSA-N 0 0 403.523 5.058 40 0 HKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000072215380 559168850 /nfs/dbraw/zinc/16/88/50/559168850.db2.gz YCLLZKMQSYXEEA-KRWDZBQOSA-N 0 0 403.523 5.058 40 0 HKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000072215410 559169052 /nfs/dbraw/zinc/16/90/52/559169052.db2.gz QHKVLRRRHVIRBB-GOSISDBHSA-N 0 0 417.550 5.448 40 0 HKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000072215411 559169033 /nfs/dbraw/zinc/16/90/33/559169033.db2.gz QHKVLRRRHVIRBB-SFHVURJKSA-N 0 0 417.550 5.448 40 0 HKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1)C1CC1 ZINC000072215418 559169039 /nfs/dbraw/zinc/16/90/39/559169039.db2.gz TYBSGOQPOYJZDF-NRFANRHFSA-N 0 0 421.541 5.353 40 0 HKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1)C1CC1 ZINC000072215419 559169028 /nfs/dbraw/zinc/16/90/28/559169028.db2.gz TYBSGOQPOYJZDF-OAQYLSRUSA-N 0 0 421.541 5.353 40 0 HKABRN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1)C1CCC1 ZINC000072215439 559169004 /nfs/dbraw/zinc/16/90/04/559169004.db2.gz ZIPDMUCEPWGEIK-GOSISDBHSA-N 0 0 417.550 5.448 40 0 HKABRN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1)C1CCC1 ZINC000072215440 559169048 /nfs/dbraw/zinc/16/90/48/559169048.db2.gz ZIPDMUCEPWGEIK-SFHVURJKSA-N 0 0 417.550 5.448 40 0 HKABRN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1)C1CCC1 ZINC000072215449 559169035 /nfs/dbraw/zinc/16/90/35/559169035.db2.gz WANZOOBKINOHSO-NRFANRHFSA-N 0 0 421.541 5.353 40 0 HKABRN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1)C1CCC1 ZINC000072215450 559169005 /nfs/dbraw/zinc/16/90/05/559169005.db2.gz WANZOOBKINOHSO-OAQYLSRUSA-N 0 0 421.541 5.353 40 0 HKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C)C1CCC1 ZINC000072215499 559169006 /nfs/dbraw/zinc/16/90/06/559169006.db2.gz BIOQAEWGTWQNDG-GOSISDBHSA-N 0 0 417.550 5.448 40 0 HKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CCC1 ZINC000072215500 559169032 /nfs/dbraw/zinc/16/90/32/559169032.db2.gz BIOQAEWGTWQNDG-SFHVURJKSA-N 0 0 417.550 5.448 40 0 HKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1)C1CCC1 ZINC000072215509 559169040 /nfs/dbraw/zinc/16/90/40/559169040.db2.gz YESBUKWFMKWTMY-NRFANRHFSA-N 0 0 421.541 5.353 40 0 HKABRN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1)C1CCC1 ZINC000072215510 559169034 /nfs/dbraw/zinc/16/90/34/559169034.db2.gz YESBUKWFMKWTMY-OAQYLSRUSA-N 0 0 421.541 5.353 40 0 HKABRN CC(=O)N1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215716 559169258 /nfs/dbraw/zinc/16/92/58/559169258.db2.gz AOXYQZMNBXGDEV-HXUWFJFHSA-N 0 0 401.551 5.229 40 0 HKABRN CC(=O)N1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215717 559169273 /nfs/dbraw/zinc/16/92/73/559169273.db2.gz AOXYQZMNBXGDEV-FQEVSTJZSA-N 0 0 401.551 5.229 40 0 HKABRN CC(=O)N1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215776 559169441 /nfs/dbraw/zinc/16/94/41/559169441.db2.gz ILSJVKTXUMMQLK-HXUWFJFHSA-N 0 0 401.551 5.229 40 0 HKABRN CC(=O)N1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215777 559169393 /nfs/dbraw/zinc/16/93/93/559169393.db2.gz ILSJVKTXUMMQLK-FQEVSTJZSA-N 0 0 401.551 5.229 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(SC3CCCCC3)nc2)cc1 ZINC000072217250 559169167 /nfs/dbraw/zinc/16/91/67/559169167.db2.gz PGMPWZZMQJSPJF-OAQYLSRUSA-N 0 0 416.612 5.341 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(SC3CCCCC3)nc2)cc1 ZINC000072217251 559169170 /nfs/dbraw/zinc/16/91/70/559169170.db2.gz PGMPWZZMQJSPJF-NRFANRHFSA-N 0 0 416.612 5.341 40 0 HKABRN O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217271 559169115 /nfs/dbraw/zinc/16/91/15/559169115.db2.gz VNPJUHGGPRDQGA-JOCHJYFZSA-N 0 0 410.583 6.370 40 0 HKABRN O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217272 559169177 /nfs/dbraw/zinc/16/91/77/559169177.db2.gz VNPJUHGGPRDQGA-QFIPXVFZSA-N 0 0 410.583 6.370 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2SC2CCCCC2)cc1 ZINC000072217310 559169156 /nfs/dbraw/zinc/16/91/56/559169156.db2.gz NJKMOZQGYREWRH-OAQYLSRUSA-N 0 0 416.612 5.341 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2SC2CCCCC2)cc1 ZINC000072217311 559169131 /nfs/dbraw/zinc/16/91/31/559169131.db2.gz NJKMOZQGYREWRH-NRFANRHFSA-N 0 0 416.612 5.341 40 0 HKABRN O=C(OCc1ccccc1)N1CCCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217331 559169150 /nfs/dbraw/zinc/16/91/50/559169150.db2.gz WZGUZSFFCMDKGX-JOCHJYFZSA-N 0 0 410.583 6.370 40 0 HKABRN O=C(OCc1ccccc1)N1CCCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217332 559169103 /nfs/dbraw/zinc/16/91/03/559169103.db2.gz WZGUZSFFCMDKGX-QFIPXVFZSA-N 0 0 410.583 6.370 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(SC(C)(C)C)nc2)cc1 ZINC000072217399 559169134 /nfs/dbraw/zinc/16/91/34/559169134.db2.gz ZOYIKILGRUYVQC-LJQANCHMSA-N 0 0 404.601 5.197 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(SC(C)(C)C)nc2)cc1 ZINC000072217400 559169136 /nfs/dbraw/zinc/16/91/36/559169136.db2.gz ZOYIKILGRUYVQC-IBGZPJMESA-N 0 0 404.601 5.197 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2SC(C)(C)C)cc1 ZINC000072217459 559169161 /nfs/dbraw/zinc/16/91/61/559169161.db2.gz IBHDTFPBCAUHPQ-LJQANCHMSA-N 0 0 404.601 5.197 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2SC(C)(C)C)cc1 ZINC000072217460 559169147 /nfs/dbraw/zinc/16/91/47/559169147.db2.gz IBHDTFPBCAUHPQ-IBGZPJMESA-N 0 0 404.601 5.197 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Sc3ccccc3)nc2)cc1 ZINC000072217610 559169138 /nfs/dbraw/zinc/16/91/38/559169138.db2.gz VQAQANALTGDGQR-OAQYLSRUSA-N 0 0 410.564 5.067 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Sc3ccccc3)nc2)cc1 ZINC000072217611 559169262 /nfs/dbraw/zinc/16/92/62/559169262.db2.gz VQAQANALTGDGQR-NRFANRHFSA-N 0 0 410.564 5.067 40 0 HKABRN O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217631 559169249 /nfs/dbraw/zinc/16/92/49/559169249.db2.gz IVYWXCDMDZHDFC-JOCHJYFZSA-N 0 0 404.535 6.097 40 0 HKABRN O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217632 559169268 /nfs/dbraw/zinc/16/92/68/559169268.db2.gz IVYWXCDMDZHDFC-QFIPXVFZSA-N 0 0 404.535 6.097 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(Sc3ccccc3)nc2)cc1 ZINC000072217639 559169259 /nfs/dbraw/zinc/16/92/59/559169259.db2.gz LWHHJVMMFFDPQD-JOCHJYFZSA-N 0 0 424.591 5.457 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(Sc3ccccc3)nc2)cc1 ZINC000072217640 559169293 /nfs/dbraw/zinc/16/92/93/559169293.db2.gz LWHHJVMMFFDPQD-QFIPXVFZSA-N 0 0 424.591 5.457 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2Sc2ccccc2)cc1 ZINC000072217670 559169264 /nfs/dbraw/zinc/16/92/64/559169264.db2.gz OEJPYWWMAVDAJO-OAQYLSRUSA-N 0 0 410.564 5.067 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2Sc2ccccc2)cc1 ZINC000072217671 559169260 /nfs/dbraw/zinc/16/92/60/559169260.db2.gz OEJPYWWMAVDAJO-NRFANRHFSA-N 0 0 410.564 5.067 40 0 HKABRN O=C(OCc1ccccc1)N1CCCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217691 559169261 /nfs/dbraw/zinc/16/92/61/559169261.db2.gz OGHOFXUDRHAPJA-JOCHJYFZSA-N 0 0 404.535 6.097 40 0 HKABRN O=C(OCc1ccccc1)N1CCCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217692 559169289 /nfs/dbraw/zinc/16/92/89/559169289.db2.gz OGHOFXUDRHAPJA-QFIPXVFZSA-N 0 0 404.535 6.097 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2Sc2ccccc2)cc1 ZINC000072217699 559169294 /nfs/dbraw/zinc/16/92/94/559169294.db2.gz UEXYZUQEWIPZPL-JOCHJYFZSA-N 0 0 424.591 5.457 40 0 HKABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2Sc2ccccc2)cc1 ZINC000072217700 559169272 /nfs/dbraw/zinc/16/92/72/559169272.db2.gz UEXYZUQEWIPZPL-QFIPXVFZSA-N 0 0 424.591 5.457 40 0 HKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)Cc4ccc(Cl)cc4)c(C)c3s2)n1 ZINC000072228566 558931616 /nfs/dbraw/zinc/93/16/16/558931616.db2.gz PRWNSHGYDBKTRE-UHFFFAOYSA-N 0 0 424.957 5.550 40 0 HKABRN CCc1ccc(C(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)cc1 ZINC000072228583 558931590 /nfs/dbraw/zinc/93/15/90/558931590.db2.gz SKUSWZHQDUGLNX-UHFFFAOYSA-N 0 0 404.539 5.530 40 0 HKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4ccc(C(C)C)cc4)c(C)c3s2)n1 ZINC000072228584 558931585 /nfs/dbraw/zinc/93/15/85/558931585.db2.gz HZMZHZVFNPRVNL-UHFFFAOYSA-N 0 0 418.566 6.091 40 0 HKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4ccccc4Cl)c(C)c3s2)n1 ZINC000072228597 558931614 /nfs/dbraw/zinc/93/16/14/558931614.db2.gz SWLFHAMLEKNEPW-UHFFFAOYSA-N 0 0 410.930 5.621 40 0 HKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4ccc(C)c(C)c4)c(C)c3s2)n1 ZINC000072228648 558931630 /nfs/dbraw/zinc/93/16/30/558931630.db2.gz NSJSEVNCDCLHKE-UHFFFAOYSA-N 0 0 404.539 5.585 40 0 HKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4ccc(C)c(Cl)c4)c(C)c3s2)n1 ZINC000072228653 558931760 /nfs/dbraw/zinc/93/17/60/558931760.db2.gz XZTNFNGYGDHWAB-UHFFFAOYSA-N 0 0 424.957 5.930 40 0 HKABRN CCOc1cccc(C(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)c1 ZINC000072228683 558931719 /nfs/dbraw/zinc/93/17/19/558931719.db2.gz OTZADNITPFLIEC-UHFFFAOYSA-N 0 0 420.538 5.367 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)cc1 ZINC000072228708 558931747 /nfs/dbraw/zinc/93/17/47/558931747.db2.gz MXEDSZLGHCNZGN-UHFFFAOYSA-N 0 0 420.538 5.367 40 0 HKABRN COc1c(C)cccc1C(=O)Nc1c(C)cc2nc(-n3nc(C)cc3C)sc2c1C ZINC000072228748 558931710 /nfs/dbraw/zinc/93/17/10/558931710.db2.gz RSOKEMDUYWNQMP-UHFFFAOYSA-N 0 0 420.538 5.285 40 0 HKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)COc4ccc(C)cc4)c(C)c3s2)n1 ZINC000072228770 558931751 /nfs/dbraw/zinc/93/17/51/558931751.db2.gz XZVCVGILZYYKKF-UHFFFAOYSA-N 0 0 420.538 5.042 40 0 HKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)COc4cccc(C)c4)c(C)c3s2)n1 ZINC000072228771 558931748 /nfs/dbraw/zinc/93/17/48/558931748.db2.gz RUZMKBCOZQYRMT-UHFFFAOYSA-N 0 0 420.538 5.042 40 0 HKABRN Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)COc4ccccc4C)c(C)c3s2)n1 ZINC000072228773 558931739 /nfs/dbraw/zinc/93/17/39/558931739.db2.gz IMMBFULXEFVBEU-UHFFFAOYSA-N 0 0 420.538 5.042 40 0 HKABRN Nc1cc(Cl)c(NC(=O)c2ccccc2Br)cc1NC1CCCCC1 ZINC000072229199 558931919 /nfs/dbraw/zinc/93/19/19/558931919.db2.gz SHVRVPNFZIEDHV-UHFFFAOYSA-N 0 0 422.754 5.682 40 0 HKABRN C[C@@H]1CCCCN1c1cc(NC(=O)c2ccccc2Br)c(Cl)cc1N ZINC000072229207 558931896 /nfs/dbraw/zinc/93/18/96/558931896.db2.gz RXGRZCDCZWXELL-GFCCVEGCSA-N 0 0 422.754 5.316 40 0 HKABRN C[C@H]1CCCCN1c1cc(NC(=O)c2ccccc2Br)c(Cl)cc1N ZINC000072229208 558931966 /nfs/dbraw/zinc/93/19/66/558931966.db2.gz RXGRZCDCZWXELL-LBPRGKRZSA-N 0 0 422.754 5.316 40 0 HKABRN CC1CCN(c2cc(NC(=O)c3ccccc3Br)c(Cl)cc2N)CC1 ZINC000072229215 558931937 /nfs/dbraw/zinc/93/19/37/558931937.db2.gz KTIOXUKAEVEYIW-UHFFFAOYSA-N 0 0 422.754 5.173 40 0 HKABRN Nc1cc(Cl)c(NC(=O)c2cccc(Br)c2)cc1NC1CCCCC1 ZINC000072229263 558931912 /nfs/dbraw/zinc/93/19/12/558931912.db2.gz BCXHYVJRBXUEGD-UHFFFAOYSA-N 0 0 422.754 5.682 40 0 HKABRN C[C@@H]1CCCCN1c1cc(NC(=O)c2cccc(Br)c2)c(Cl)cc1N ZINC000072229282 558931964 /nfs/dbraw/zinc/93/19/64/558931964.db2.gz JAKHPUVQUJQQEQ-GFCCVEGCSA-N 0 0 422.754 5.316 40 0 HKABRN C[C@H]1CCCCN1c1cc(NC(=O)c2cccc(Br)c2)c(Cl)cc1N ZINC000072229283 558931862 /nfs/dbraw/zinc/93/18/62/558931862.db2.gz JAKHPUVQUJQQEQ-LBPRGKRZSA-N 0 0 422.754 5.316 40 0 HKABRN CC1CCN(c2cc(NC(=O)c3cccc(Br)c3)c(Cl)cc2N)CC1 ZINC000072229285 558931945 /nfs/dbraw/zinc/93/19/45/558931945.db2.gz JMDFGLCPHXJAEO-UHFFFAOYSA-N 0 0 422.754 5.173 40 0 HKABRN CC1CCN(c2cc(NC(=O)c3ccc(Br)cc3)c(Cl)cc2N)CC1 ZINC000072229319 558931905 /nfs/dbraw/zinc/93/19/05/558931905.db2.gz WRTFRAZINDEANT-UHFFFAOYSA-N 0 0 422.754 5.173 40 0 HKABRN C[C@@H]1CCCCN1c1cc(NC(=O)c2ccc(Br)cc2)c(Cl)cc1N ZINC000072229321 558931957 /nfs/dbraw/zinc/93/19/57/558931957.db2.gz HWRYSZPVUJYXKQ-GFCCVEGCSA-N 0 0 422.754 5.316 40 0 HKABRN C[C@H]1CCCCN1c1cc(NC(=O)c2ccc(Br)cc2)c(Cl)cc1N ZINC000072229322 558931878 /nfs/dbraw/zinc/93/18/78/558931878.db2.gz HWRYSZPVUJYXKQ-LBPRGKRZSA-N 0 0 422.754 5.316 40 0 HKABRN Nc1cc(Cl)c(NC(=O)c2ccc(Br)cc2)cc1NC1CCCCC1 ZINC000072229334 558931903 /nfs/dbraw/zinc/93/19/03/558931903.db2.gz XYSSHTTWRGWZSG-UHFFFAOYSA-N 0 0 422.754 5.682 40 0 HKABRN Nc1cc(Cl)c(NC(=O)c2cc(Cl)ccc2Cl)cc1NC1CCCCC1 ZINC000072229401 558931951 /nfs/dbraw/zinc/93/19/51/558931951.db2.gz UTKFBIDPSUZDNJ-UHFFFAOYSA-N 0 0 412.748 6.226 40 0 HKABRN Nc1cc(Cl)c(NC(=O)c2ccc(Cl)cc2Cl)cc1NC1CCCCC1 ZINC000072229402 558931915 /nfs/dbraw/zinc/93/19/15/558931915.db2.gz AMFUBMNGADPHQK-UHFFFAOYSA-N 0 0 412.748 6.226 40 0 HKABRN Nc1cc(Cl)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1NC1CCCCC1 ZINC000072229403 558931967 /nfs/dbraw/zinc/93/19/67/558931967.db2.gz IFBYHDNQCBWOKI-UHFFFAOYSA-N 0 0 412.748 6.226 40 0 HKABRN C[C@@H]1CCCCN1c1cc(NC(=O)c2ccc(Cl)cc2Cl)c(Cl)cc1N ZINC000072229417 558932009 /nfs/dbraw/zinc/93/20/09/558932009.db2.gz SCLOLHLOZVNNBU-LLVKDONJSA-N 0 0 412.748 5.860 40 0 HKABRN C[C@H]1CCCCN1c1cc(NC(=O)c2ccc(Cl)cc2Cl)c(Cl)cc1N ZINC000072229418 558932006 /nfs/dbraw/zinc/93/20/06/558932006.db2.gz SCLOLHLOZVNNBU-NSHDSACASA-N 0 0 412.748 5.860 40 0 HKABRN CC1CCN(c2cc(NC(=O)c3ccc(Cl)cc3Cl)c(Cl)cc2N)CC1 ZINC000072229419 558932045 /nfs/dbraw/zinc/93/20/45/558932045.db2.gz ZKHRKSFQYNTQJT-UHFFFAOYSA-N 0 0 412.748 5.718 40 0 HKABRN CC1CCN(c2cc(NC(=O)c3cc(Cl)ccc3Cl)c(Cl)cc2N)CC1 ZINC000072229420 558932049 /nfs/dbraw/zinc/93/20/49/558932049.db2.gz ZWDLARXCLFERML-UHFFFAOYSA-N 0 0 412.748 5.718 40 0 HKABRN C[C@@H]1CCCCN1c1cc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1N ZINC000072229422 558932106 /nfs/dbraw/zinc/93/21/06/558932106.db2.gz UQWNJKKUYGCWQG-LLVKDONJSA-N 0 0 412.748 5.860 40 0 HKABRN C[C@H]1CCCCN1c1cc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1N ZINC000072229423 558932093 /nfs/dbraw/zinc/93/20/93/558932093.db2.gz UQWNJKKUYGCWQG-NSHDSACASA-N 0 0 412.748 5.860 40 0 HKABRN C[C@@H]1CCCCN1c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)cc1N ZINC000072229424 558932070 /nfs/dbraw/zinc/93/20/70/558932070.db2.gz PJIZVKCXVWUFQH-LLVKDONJSA-N 0 0 412.748 5.860 40 0 HKABRN C[C@H]1CCCCN1c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)cc1N ZINC000072229425 558932096 /nfs/dbraw/zinc/93/20/96/558932096.db2.gz PJIZVKCXVWUFQH-NSHDSACASA-N 0 0 412.748 5.860 40 0 HKABRN CC1CCN(c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)c(Cl)cc2N)CC1 ZINC000072229427 558932065 /nfs/dbraw/zinc/93/20/65/558932065.db2.gz OCSJYSULIXNFDX-UHFFFAOYSA-N 0 0 412.748 5.718 40 0 HKABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)c(N)cc1Cl ZINC000072229528 558932100 /nfs/dbraw/zinc/93/21/00/558932100.db2.gz XYRSZCPPNVNOLE-UHFFFAOYSA-N 0 0 418.118 5.134 40 0 HKABRN Cc1cc(C)n(-c2nc3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3s2)n1 ZINC000072229771 558932022 /nfs/dbraw/zinc/93/20/22/558932022.db2.gz CVVKLMUHTLLNCW-UHFFFAOYSA-N 0 0 417.321 5.658 40 0 HKABRN Cc1cc(C)n(-c2nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3s2)n1 ZINC000072229776 558932025 /nfs/dbraw/zinc/93/20/25/558932025.db2.gz KBNTYUYZPFRZHJ-UHFFFAOYSA-N 0 0 404.539 5.649 40 0 HKABRN Cc1cc(C)n(-c2nc3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3s2)n1 ZINC000072229803 558932031 /nfs/dbraw/zinc/93/20/31/558932031.db2.gz ZCTPXUAVONWRBB-UHFFFAOYSA-N 0 0 417.321 5.658 40 0 HKABRN Cc1cc(C)n(-c2nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3s2)n1 ZINC000072229809 558932015 /nfs/dbraw/zinc/93/20/15/558932015.db2.gz GSYKUZQGDMIICX-UHFFFAOYSA-N 0 0 404.539 5.649 40 0 HKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccccc1Br ZINC000072229857 568919719 /nfs/dbraw/zinc/91/97/19/568919719.db2.gz VPYUXAINVRQBNY-IBGZPJMESA-N 0 0 416.702 5.437 40 0 HKABRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccccc1Br ZINC000072229858 568919926 /nfs/dbraw/zinc/91/99/26/568919926.db2.gz VPYUXAINVRQBNY-LJQANCHMSA-N 0 0 416.702 5.437 40 0 HKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000072229861 568919970 /nfs/dbraw/zinc/91/99/70/568919970.db2.gz LFYOZRIHSMHLQW-IBGZPJMESA-N 0 0 416.702 5.437 40 0 HKABRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cccc(Br)c1 ZINC000072229862 568919986 /nfs/dbraw/zinc/91/99/86/568919986.db2.gz LFYOZRIHSMHLQW-LJQANCHMSA-N 0 0 416.702 5.437 40 0 HKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000072229869 568919964 /nfs/dbraw/zinc/91/99/64/568919964.db2.gz YBCKYGLXRRLRPF-IBGZPJMESA-N 0 0 416.702 5.437 40 0 HKABRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(Br)cc1 ZINC000072229870 568919909 /nfs/dbraw/zinc/91/99/09/568919909.db2.gz YBCKYGLXRRLRPF-LJQANCHMSA-N 0 0 416.702 5.437 40 0 HKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000072229871 568919918 /nfs/dbraw/zinc/91/99/18/568919918.db2.gz QAOICOYJWORMTR-IBGZPJMESA-N 0 0 406.696 5.981 40 0 HKABRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000072229872 568919923 /nfs/dbraw/zinc/91/99/23/568919923.db2.gz QAOICOYJWORMTR-LJQANCHMSA-N 0 0 406.696 5.981 40 0 HKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000072229873 568919911 /nfs/dbraw/zinc/91/99/11/568919911.db2.gz BBHQVHGWFOVEEV-IBGZPJMESA-N 0 0 406.696 5.981 40 0 HKABRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000072229874 568919930 /nfs/dbraw/zinc/91/99/30/568919930.db2.gz BBHQVHGWFOVEEV-LJQANCHMSA-N 0 0 406.696 5.981 40 0 HKABRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000072229883 568919974 /nfs/dbraw/zinc/91/99/74/568919974.db2.gz QMJHBOVNFVDFHQ-RUZDIDTESA-N 0 0 413.904 6.341 40 0 HKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000072229884 568919932 /nfs/dbraw/zinc/91/99/32/568919932.db2.gz QMJHBOVNFVDFHQ-VWLOTQADSA-N 0 0 413.904 6.341 40 0 HKABRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cccc2c(Cl)cccc12 ZINC000072229887 568919946 /nfs/dbraw/zinc/91/99/46/568919946.db2.gz QZSMQRNPWCNBCU-QHCPKHFHSA-N 0 0 422.311 6.481 40 0 HKABRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cccc2c(Cl)cccc12 ZINC000072229888 568919892 /nfs/dbraw/zinc/91/98/92/568919892.db2.gz QZSMQRNPWCNBCU-HSZRJFAPSA-N 0 0 422.311 6.481 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000072229895 568919966 /nfs/dbraw/zinc/91/99/66/568919966.db2.gz VZKLYQYHPJPIDQ-XMMPIXPASA-N 0 0 417.892 5.836 40 0 HKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000072229896 568919982 /nfs/dbraw/zinc/91/99/82/568919982.db2.gz VZKLYQYHPJPIDQ-DEOSSOPVSA-N 0 0 417.892 5.836 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)c1 ZINC000072229957 568919963 /nfs/dbraw/zinc/91/99/63/568919963.db2.gz KQTAHSDDDYRHOB-HSZRJFAPSA-N 0 0 409.913 5.853 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)c1 ZINC000072229958 568919898 /nfs/dbraw/zinc/91/98/98/568919898.db2.gz KQTAHSDDDYRHOB-QHCPKHFHSA-N 0 0 409.913 5.853 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1 ZINC000072229967 568919977 /nfs/dbraw/zinc/91/99/77/568919977.db2.gz PPPSLURBPXUUDL-HSZRJFAPSA-N 0 0 409.913 5.853 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1 ZINC000072229968 568919972 /nfs/dbraw/zinc/91/99/72/568919972.db2.gz PPPSLURBPXUUDL-QHCPKHFHSA-N 0 0 409.913 5.853 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1Cl ZINC000072229971 568919914 /nfs/dbraw/zinc/91/99/14/568919914.db2.gz PRUYKVHSYCOULQ-HXUWFJFHSA-N 0 0 402.277 5.336 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1Cl ZINC000072229972 568919925 /nfs/dbraw/zinc/91/99/25/568919925.db2.gz PRUYKVHSYCOULQ-FQEVSTJZSA-N 0 0 402.277 5.336 40 0 HKABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000072229981 568919928 /nfs/dbraw/zinc/91/99/28/568919928.db2.gz FGPRPWJMHQWTAN-HXUWFJFHSA-N 0 0 402.277 5.336 40 0 HKABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000072229982 568919920 /nfs/dbraw/zinc/91/99/20/568919920.db2.gz FGPRPWJMHQWTAN-FQEVSTJZSA-N 0 0 402.277 5.336 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1Cl ZINC000072229989 568919893 /nfs/dbraw/zinc/91/98/93/568919893.db2.gz WDNKUGPJFRORLQ-OAQYLSRUSA-N 0 0 416.304 5.726 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1Cl ZINC000072229990 568919894 /nfs/dbraw/zinc/91/98/94/568919894.db2.gz WDNKUGPJFRORLQ-NRFANRHFSA-N 0 0 416.304 5.726 40 0 HKABRN CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1 ZINC000072230035 568919968 /nfs/dbraw/zinc/91/99/68/568919968.db2.gz SPYUVKHJIJOHOQ-XMMPIXPASA-N 0 0 409.913 5.563 40 0 HKABRN CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1 ZINC000072230036 568919901 /nfs/dbraw/zinc/91/99/01/568919901.db2.gz SPYUVKHJIJOHOQ-DEOSSOPVSA-N 0 0 409.913 5.563 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1 ZINC000072230037 568919959 /nfs/dbraw/zinc/91/99/59/568919959.db2.gz FKWMWCNLHUJFEY-XMMPIXPASA-N 0 0 423.940 5.737 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1 ZINC000072230038 568919950 /nfs/dbraw/zinc/91/99/50/568919950.db2.gz FKWMWCNLHUJFEY-DEOSSOPVSA-N 0 0 423.940 5.737 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)c1 ZINC000072230047 568919961 /nfs/dbraw/zinc/91/99/61/568919961.db2.gz ALZOBWUKZPPGMI-RUZDIDTESA-N 0 0 423.940 5.871 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)c1 ZINC000072230048 568919896 /nfs/dbraw/zinc/91/98/96/568919896.db2.gz ALZOBWUKZPPGMI-VWLOTQADSA-N 0 0 423.940 5.871 40 0 HKABRN O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000072230049 568919921 /nfs/dbraw/zinc/91/99/21/568919921.db2.gz QZIJWPTUJUWXTQ-NRFANRHFSA-N 0 0 402.277 5.093 40 0 HKABRN O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000072230050 568919948 /nfs/dbraw/zinc/91/99/48/568919948.db2.gz QZIJWPTUJUWXTQ-OAQYLSRUSA-N 0 0 402.277 5.093 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)ccc1Cl ZINC000072230053 568919903 /nfs/dbraw/zinc/91/99/03/568919903.db2.gz XOTHNGSWTGSCNK-JOCHJYFZSA-N 0 0 416.304 5.401 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)ccc1Cl ZINC000072230054 568919900 /nfs/dbraw/zinc/91/99/00/568919900.db2.gz XOTHNGSWTGSCNK-QFIPXVFZSA-N 0 0 416.304 5.401 40 0 HKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000072230055 568919916 /nfs/dbraw/zinc/91/99/16/568919916.db2.gz UODNRJOJLHDRIW-JOCHJYFZSA-N 0 0 416.304 5.401 40 0 HKABRN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000072230056 568919953 /nfs/dbraw/zinc/91/99/53/568919953.db2.gz UODNRJOJLHDRIW-QFIPXVFZSA-N 0 0 416.304 5.401 40 0 HKABRN O=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000072230067 568919955 /nfs/dbraw/zinc/91/99/55/568919955.db2.gz YIRKRWWFZPGGFJ-NRFANRHFSA-N 0 0 402.277 5.093 40 0 HKABRN O=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000072230068 568919988 /nfs/dbraw/zinc/91/99/88/568919988.db2.gz YIRKRWWFZPGGFJ-OAQYLSRUSA-N 0 0 402.277 5.093 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1 ZINC000072230095 568919957 /nfs/dbraw/zinc/91/99/57/568919957.db2.gz ULDBDYFHIDVUJT-ZFBAEGHFSA-N 0 0 405.925 6.197 40 0 HKABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1 ZINC000072230096 568919979 /nfs/dbraw/zinc/91/99/79/568919979.db2.gz ULDBDYFHIDVUJT-HFRIYAALSA-N 0 0 405.925 6.197 40 0 HKABRN CC(C)c1ccccc1NC(=O)COc1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000072242801 558932391 /nfs/dbraw/zinc/93/23/91/558932391.db2.gz RXEWSXXWEZKPIQ-UHFFFAOYSA-N 0 0 413.477 5.545 40 0 HKABRN O=C(COc1cccc(-c2nc(-c3ccccc3)no2)c1)Nc1ccccc1Cl ZINC000072242818 558932517 /nfs/dbraw/zinc/93/25/17/558932517.db2.gz CTHBDGPXYOOBDT-UHFFFAOYSA-N 0 0 405.841 5.075 40 0 HKABRN O=C(COc1cccc(-c2nc(-c3ccccc3)no2)c1)Nc1ccc(Cl)cc1 ZINC000072242819 558932520 /nfs/dbraw/zinc/93/25/20/558932520.db2.gz BMKOJONNQPQWQU-UHFFFAOYSA-N 0 0 405.841 5.075 40 0 HKABRN Cc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)c4ccccc4)C=C3C)nc2c1 ZINC000072320841 560077171 /nfs/dbraw/zinc/07/71/71/560077171.db2.gz NXFZGXMVFJTUSP-VABKMULXSA-N 0 0 415.581 5.698 40 0 biogenic,in-vitro HKABRN CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3cc(C)ccc3[nH]2)C[C@H]1C(C)C ZINC000072320842 560077216 /nfs/dbraw/zinc/07/72/16/560077216.db2.gz AHQDAKKMUBBDSI-FKBYEOEOSA-N 0 0 409.618 5.821 40 0 biogenic,in-vitro HKABRN Cc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)C4CCCCC4)C=C3C)nc2c1 ZINC000072320843 560077072 /nfs/dbraw/zinc/07/70/72/560077072.db2.gz JLYVYGVEWUYESF-VABKMULXSA-N 0 0 421.629 5.965 40 0 biogenic,in-vitro HKABRN CC1=C[C@@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000072320857 560077187 /nfs/dbraw/zinc/07/71/87/560077187.db2.gz YYOWGXAMKLYXFY-ONTIZHBOSA-N 0 0 419.544 5.529 40 0 biogenic,in-vitro HKABRN CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3cc(F)ccc3[nH]2)C[C@H]1C(C)C ZINC000072320858 560077090 /nfs/dbraw/zinc/07/70/90/560077090.db2.gz KDZDAAUYMMCLCJ-ZJOUEHCJSA-N 0 0 413.581 5.652 40 0 biogenic,in-vitro HKABRN CC1=C[C@@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C ZINC000072320875 560077780 /nfs/dbraw/zinc/07/77/80/560077780.db2.gz KTIPFZAETACNQN-VABKMULXSA-N 0 0 415.581 5.400 40 0 biogenic,in-vitro HKABRN CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccccc3n2C)C[C@H]1C(C)C ZINC000072320876 560077855 /nfs/dbraw/zinc/07/78/55/560077855.db2.gz UMNZEXQWGGNIOP-FKBYEOEOSA-N 0 0 409.618 5.523 40 0 biogenic,in-vitro HKABRN CC1=C[C@@H](CNC(=O)C2CCCCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C ZINC000072320877 560077790 /nfs/dbraw/zinc/07/77/90/560077790.db2.gz CKUWXHPABRINRZ-VABKMULXSA-N 0 0 421.629 5.667 40 0 biogenic,in-vitro HKABRN CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3c(cccc3C)[nH]2)C[C@H]1C(C)C ZINC000072320963 560076925 /nfs/dbraw/zinc/07/69/25/560076925.db2.gz JICXQTKWRNAWLY-FKBYEOEOSA-N 0 0 409.618 5.821 40 0 biogenic,in-vitro HKABRN Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)C4CCCCC4)C=C3C)nc21 ZINC000072320964 560076986 /nfs/dbraw/zinc/07/69/86/560076986.db2.gz WITRYHSZUCBDTN-VABKMULXSA-N 0 0 421.629 5.965 40 0 biogenic,in-vitro HKABRN C[C@@H]1C[C@@]2(C)Oc3ccccc3[C@H]3OC[C@@]1(COC(=O)NC1CCCCC1)[C@@H](C)[C@@H]32 ZINC000072324071 558932953 /nfs/dbraw/zinc/93/29/53/558932953.db2.gz HTEHTVFZNJDZHV-SMCSIARKSA-N 0 0 413.558 5.246 40 0 HKABRN C[C@H]1C[C@@]2(C)Oc3ccccc3[C@H]3OC[C@@]1(COC(=O)NC1CCCCC1)[C@@H](C)[C@@H]32 ZINC000072324072 558932926 /nfs/dbraw/zinc/93/29/26/558932926.db2.gz HTEHTVFZNJDZHV-OAJHFDMBSA-N 0 0 413.558 5.246 40 0 HKABRN Cc1c2ccccc2oc1C(=O)N1CCC(C(=O)c2nc3ccccc3s2)CC1 ZINC000072335412 558936467 /nfs/dbraw/zinc/93/64/67/558936467.db2.gz APERSSHSXHQUGP-UHFFFAOYSA-N 0 0 404.491 5.086 40 0 HKABRN Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CCN(C(=O)C4CCCC4)CC3)c12 ZINC000072336001 558937228 /nfs/dbraw/zinc/93/72/28/558937228.db2.gz XJTCTUPNNDICCP-UHFFFAOYSA-N 0 0 424.589 5.113 40 0 HKABRN Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(C(=O)CC4CCCC4)CC3)c12 ZINC000072336015 558937242 /nfs/dbraw/zinc/93/72/42/558937242.db2.gz OIQQSQMNIUDXBO-UHFFFAOYSA-N 0 0 424.589 5.113 40 0 HKABRN COc1cccc(OC)c1C(=O)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 ZINC000072338400 558937975 /nfs/dbraw/zinc/93/79/75/558937975.db2.gz GPZSZLHQLYFFHR-MRXNPFEDSA-N 0 0 412.511 5.178 40 0 HKABRN COc1cccc(OC)c1C(=O)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 ZINC000072338401 526214279 /nfs/dbraw/zinc/21/42/79/526214279.db2.gz GPZSZLHQLYFFHR-INIZCTEOSA-N 0 0 412.511 5.178 40 0 HKABRN O=C(Cc1c[nH]c2ccccc12)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 ZINC000072338404 558938023 /nfs/dbraw/zinc/93/80/23/558938023.db2.gz FEXMDBFPKNKXOW-FQEVSTJZSA-N 0 0 405.523 5.571 40 0 HKABRN c1coc(-c2nc(NC(c3ccccc3)c3ccccc3)ncc2-c2cnccn2)c1 ZINC000072338676 558938208 /nfs/dbraw/zinc/93/82/08/558938208.db2.gz NCCVUSKRYBRVOP-UHFFFAOYSA-N 0 0 405.461 5.395 40 0 HKABRN Cc1cc(C(=O)N2C[C@@H]3CCC[C@](O)(c4cccc(C(F)(F)F)c4)[C@@H]3C2)sc1C ZINC000072340400 558939103 /nfs/dbraw/zinc/93/91/03/558939103.db2.gz RZHBBUFATDTUKH-KLHJMIIUSA-N 0 0 423.500 5.144 40 0 HKABRN Cc1cc(C(=O)N2C[C@H]3CCC[C@](O)(c4cccc(C(F)(F)F)c4)[C@@H]3C2)sc1C ZINC000072340401 558939133 /nfs/dbraw/zinc/93/91/33/558939133.db2.gz RZHBBUFATDTUKH-FPDPHYFHSA-N 0 0 423.500 5.144 40 0 HKABRN Cc1cc(C(=O)N2C[C@@H]3CCC[C@@](O)(c4cccc(C(F)(F)F)c4)[C@@H]3C2)sc1C ZINC000072340402 558939089 /nfs/dbraw/zinc/93/90/89/558939089.db2.gz RZHBBUFATDTUKH-RRMPHLOHSA-N 0 0 423.500 5.144 40 0 HKABRN Cc1cc(C(=O)N2C[C@H]3CCC[C@@](O)(c4cccc(C(F)(F)F)c4)[C@@H]3C2)sc1C ZINC000072340403 558939091 /nfs/dbraw/zinc/93/90/91/558939091.db2.gz RZHBBUFATDTUKH-FQELHTAISA-N 0 0 423.500 5.144 40 0 HKABRN O=C(/C=C\c1ccccc1)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000072341235 558939563 /nfs/dbraw/zinc/93/95/63/558939563.db2.gz PEVYGONEWHRGKI-WDZFZDKYSA-N 0 0 409.272 6.454 40 0 HKABRN O=C(c1csc(Br)c1)N1CCC2(CC(c3cccs3)=CO2)CC1 ZINC000072341946 558940093 /nfs/dbraw/zinc/94/00/93/558940093.db2.gz SHPPYSGTJVXSMS-UHFFFAOYSA-N 0 0 410.358 5.008 40 0 HKABRN C[C@H](C(=O)N1CCC(c2[nH]c3ccccc3c2-c2ccncc2)CC1)c1ccccc1 ZINC000072342171 558940235 /nfs/dbraw/zinc/94/02/35/558940235.db2.gz CYEKWOGWBUUSKD-IBGZPJMESA-N 0 0 409.533 5.740 40 0 HKABRN C[C@@H](C(=O)N1CCC(c2[nH]c3ccccc3c2-c2ccncc2)CC1)c1ccccc1 ZINC000072342172 558940232 /nfs/dbraw/zinc/94/02/32/558940232.db2.gz CYEKWOGWBUUSKD-LJQANCHMSA-N 0 0 409.533 5.740 40 0 HKABRN Cc1cc(-c2cnc(SCC(=O)c3ccc(Cl)cc3)nc2-c2ccco2)on1 ZINC000072342797 526045838 /nfs/dbraw/zinc/04/58/38/526045838.db2.gz MVSSGAQRZAAXMU-UHFFFAOYSA-N 0 0 411.870 5.328 40 0 HKABRN Cc1cc(-c2cnc(SCC(=O)c3ccc(F)cc3)nc2-c2cccs2)on1 ZINC000072342798 558940623 /nfs/dbraw/zinc/94/06/23/558940623.db2.gz MKIPTFDVEGUKOH-UHFFFAOYSA-N 0 0 411.483 5.283 40 0 HKABRN CCc1onc(C)c1-c1nc(NCCc2ccccc2Cl)ncc1-c1ccncc1 ZINC000072342884 558940632 /nfs/dbraw/zinc/94/06/32/558940632.db2.gz WGRLRPDZTILEIE-UHFFFAOYSA-N 0 0 419.916 5.372 40 0 HKABRN NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)CC2CCCCC2)CC1 ZINC000072345278 526848816 /nfs/dbraw/zinc/84/88/16/526848816.db2.gz VSGZRMHAXZHJOW-UHFFFAOYSA-N 0 0 424.610 5.022 40 0 HKABRN CC(C)n1c2ccccc2nc1CN1CCC(n2c3cc(Cl)ccc3oc2=O)CC1 ZINC000072347908 558945214 /nfs/dbraw/zinc/94/52/14/558945214.db2.gz AAMVRGHHYCQQPK-UHFFFAOYSA-N 0 0 424.932 5.016 40 0 HKABRN COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 ZINC000072349024 558945700 /nfs/dbraw/zinc/94/57/00/558945700.db2.gz JQZSLPRVTSJJLT-OAQYLSRUSA-N 0 0 400.522 5.096 40 0 HKABRN COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 ZINC000072349025 558945746 /nfs/dbraw/zinc/94/57/46/558945746.db2.gz JQZSLPRVTSJJLT-NRFANRHFSA-N 0 0 400.522 5.096 40 0 HKABRN COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)c1 ZINC000072349026 525715793 /nfs/dbraw/zinc/71/57/93/525715793.db2.gz RFEXLKHBXRCGDS-JOCHJYFZSA-N 0 0 400.522 5.096 40 0 HKABRN COc1cccc(-c2cccc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)c1 ZINC000072349027 558945649 /nfs/dbraw/zinc/94/56/49/558945649.db2.gz RFEXLKHBXRCGDS-QFIPXVFZSA-N 0 0 400.522 5.096 40 0 HKABRN COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)cc1 ZINC000072349028 523138905 /nfs/dbraw/zinc/13/89/05/523138905.db2.gz QVTBOAAGHKUYKP-JOCHJYFZSA-N 0 0 400.522 5.096 40 0 HKABRN COc1ccc(-c2cccc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)cc1 ZINC000072349029 558945635 /nfs/dbraw/zinc/94/56/35/558945635.db2.gz QVTBOAAGHKUYKP-QFIPXVFZSA-N 0 0 400.522 5.096 40 0 HKABRN O=C(CCc1ccccc1)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1 ZINC000072349041 558945980 /nfs/dbraw/zinc/94/59/80/558945980.db2.gz IWTHSJJEMKDDSV-UHFFFAOYSA-N 0 0 402.513 5.150 40 0 HKABRN O=C(CCc1ccccc1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072349042 558945930 /nfs/dbraw/zinc/94/59/30/558945930.db2.gz YDMHTQROWDIUFR-QFIPXVFZSA-N 0 0 402.513 5.150 40 0 HKABRN O=C(CCc1ccccc1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072349043 558945947 /nfs/dbraw/zinc/94/59/47/558945947.db2.gz YDMHTQROWDIUFR-JOCHJYFZSA-N 0 0 402.513 5.150 40 0 HKABRN O=C(CCc1ccccc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 ZINC000072349044 558945950 /nfs/dbraw/zinc/94/59/50/558945950.db2.gz ITLAOKCKLUVANR-UHFFFAOYSA-N 0 0 402.513 5.150 40 0 HKABRN O=C(CCc1ccccc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349045 559185518 /nfs/dbraw/zinc/18/55/18/559185518.db2.gz NBECVKNJSQHTHH-QFIPXVFZSA-N 0 0 402.513 5.150 40 0 HKABRN O=C(CCc1ccccc1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349046 559185435 /nfs/dbraw/zinc/18/54/35/559185435.db2.gz NBECVKNJSQHTHH-JOCHJYFZSA-N 0 0 402.513 5.150 40 0 HKABRN O=C(CCc1ccccc1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 ZINC000072349047 558945978 /nfs/dbraw/zinc/94/59/78/558945978.db2.gz PLEUZHQGIBIHBU-UHFFFAOYSA-N 0 0 402.513 5.150 40 0 HKABRN O=C(CCc1ccccc1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072349048 558945926 /nfs/dbraw/zinc/94/59/26/558945926.db2.gz GBJKGESVPDCPLV-QFIPXVFZSA-N 0 0 402.513 5.150 40 0 HKABRN O=C(CCc1ccccc1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072349049 526607938 /nfs/dbraw/zinc/60/79/38/526607938.db2.gz GBJKGESVPDCPLV-JOCHJYFZSA-N 0 0 402.513 5.150 40 0 HKABRN COc1ccc(Cc2cccc(C3CCN(C(=O)CCc4ccccc4)CC3)n2)cc1 ZINC000072349050 558945945 /nfs/dbraw/zinc/94/59/45/558945945.db2.gz YXSNHXKCZZPSFM-UHFFFAOYSA-N 0 0 414.549 5.020 40 0 HKABRN COc1cccc(Cc2cccc(C3CCN(C(=O)CCc4ccccc4)CC3)n2)c1 ZINC000072349051 559185535 /nfs/dbraw/zinc/18/55/35/559185535.db2.gz LGPLGJHIDFTNRY-UHFFFAOYSA-N 0 0 414.549 5.020 40 0 HKABRN COc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)c1 ZINC000072349052 559185528 /nfs/dbraw/zinc/18/55/28/559185528.db2.gz OUYLMWQMFRYSIY-HSZRJFAPSA-N 0 0 414.549 5.020 40 0 HKABRN COc1cccc(Cc2cccc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)c1 ZINC000072349053 559185496 /nfs/dbraw/zinc/18/54/96/559185496.db2.gz OUYLMWQMFRYSIY-QHCPKHFHSA-N 0 0 414.549 5.020 40 0 HKABRN COc1ccccc1Cc1cccc(C2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000072349054 558945960 /nfs/dbraw/zinc/94/59/60/558945960.db2.gz NYQTYHVMCYFPEQ-UHFFFAOYSA-N 0 0 414.549 5.020 40 0 HKABRN COc1ccccc1Cc1cccc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 ZINC000072349055 524516521 /nfs/dbraw/zinc/51/65/21/524516521.db2.gz WNPVQEKLUJMFDX-HSZRJFAPSA-N 0 0 414.549 5.020 40 0 HKABRN COc1ccccc1Cc1cccc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 ZINC000072349056 559185506 /nfs/dbraw/zinc/18/55/06/559185506.db2.gz WNPVQEKLUJMFDX-QHCPKHFHSA-N 0 0 414.549 5.020 40 0 HKABRN O=C(c1cccnc1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072349101 558945941 /nfs/dbraw/zinc/94/59/41/558945941.db2.gz LRDXNEDIQIBCLR-GOSISDBHSA-N 0 0 411.427 5.182 40 0 HKABRN O=C(c1cccnc1)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072349102 558945970 /nfs/dbraw/zinc/94/59/70/558945970.db2.gz LRDXNEDIQIBCLR-SFHVURJKSA-N 0 0 411.427 5.182 40 0 HKABRN O=C(c1ccncc1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072349154 558945963 /nfs/dbraw/zinc/94/59/63/558945963.db2.gz KRZRZQXNZNYJQY-GOSISDBHSA-N 0 0 411.427 5.182 40 0 HKABRN O=C(c1ccncc1)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072349155 526851588 /nfs/dbraw/zinc/85/15/88/526851588.db2.gz KRZRZQXNZNYJQY-SFHVURJKSA-N 0 0 411.427 5.182 40 0 HKABRN O=C(c1ccccn1)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072349233 526815229 /nfs/dbraw/zinc/81/52/29/526815229.db2.gz XZYPNQSRQBSVDP-KRWDZBQOSA-N 0 0 411.427 5.182 40 0 HKABRN O=C(c1ccccn1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072349234 558945929 /nfs/dbraw/zinc/94/59/29/558945929.db2.gz XZYPNQSRQBSVDP-QGZVFWFLSA-N 0 0 411.427 5.182 40 0 HKABRN O=C(C1CCC1)N1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072349341 558946169 /nfs/dbraw/zinc/94/61/69/558946169.db2.gz DRWCATOVWFCLQX-GOSISDBHSA-N 0 0 402.460 5.197 40 0 HKABRN O=C(C1CCC1)N1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072349342 558946211 /nfs/dbraw/zinc/94/62/11/558946211.db2.gz DRWCATOVWFCLQX-SFHVURJKSA-N 0 0 402.460 5.197 40 0 HKABRN COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)cc1 ZINC000072349343 523919031 /nfs/dbraw/zinc/91/90/31/523919031.db2.gz ZZWWINVCWIGNSW-NRFANRHFSA-N 0 0 418.512 5.235 40 0 HKABRN COc1ccc(CCC(=O)N2CCC[C@@H](c3cccc(-c4ccc(F)cc4)n3)C2)cc1 ZINC000072349344 558946186 /nfs/dbraw/zinc/94/61/86/558946186.db2.gz ZZWWINVCWIGNSW-OAQYLSRUSA-N 0 0 418.512 5.235 40 0 HKABRN COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(-c4ccccc4F)n3)C2)cc1 ZINC000072349345 558946207 /nfs/dbraw/zinc/94/62/07/558946207.db2.gz MVZUEXAUNMPPGL-FQEVSTJZSA-N 0 0 418.512 5.235 40 0 HKABRN COc1ccc(CCC(=O)N2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)cc1 ZINC000072349346 558946222 /nfs/dbraw/zinc/94/62/22/558946222.db2.gz MVZUEXAUNMPPGL-HXUWFJFHSA-N 0 0 418.512 5.235 40 0 HKABRN COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(-c4cccc(F)c4)n3)C2)cc1 ZINC000072349347 558946175 /nfs/dbraw/zinc/94/61/75/558946175.db2.gz XQMYNFIMWIOUOR-NRFANRHFSA-N 0 0 418.512 5.235 40 0 HKABRN COc1ccc(CCC(=O)N2CCC[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)cc1 ZINC000072349348 558946225 /nfs/dbraw/zinc/94/62/25/558946225.db2.gz XQMYNFIMWIOUOR-OAQYLSRUSA-N 0 0 418.512 5.235 40 0 HKABRN COc1ccc(CCC(=O)N2CCC(c3cccc(Cc4ccccc4)n3)CC2)cc1 ZINC000072349353 558946149 /nfs/dbraw/zinc/94/61/49/558946149.db2.gz HCYGFQGFFUJNGZ-UHFFFAOYSA-N 0 0 414.549 5.020 40 0 HKABRN COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(Cc4ccccc4)n3)C2)cc1 ZINC000072349354 558946193 /nfs/dbraw/zinc/94/61/93/558946193.db2.gz DSUQLMNEAYXOIQ-QHCPKHFHSA-N 0 0 414.549 5.020 40 0 HKABRN COc1ccc(CCC(=O)N2CCC[C@@H](c3cccc(Cc4ccccc4)n3)C2)cc1 ZINC000072349355 558946178 /nfs/dbraw/zinc/94/61/78/558946178.db2.gz DSUQLMNEAYXOIQ-HSZRJFAPSA-N 0 0 414.549 5.020 40 0 HKABRN O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072349662 558946708 /nfs/dbraw/zinc/94/67/08/558946708.db2.gz BENULRWJZINOAD-SFHVURJKSA-N 0 0 413.496 5.318 40 0 HKABRN O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072349663 558946749 /nfs/dbraw/zinc/94/67/49/558946749.db2.gz BENULRWJZINOAD-GOSISDBHSA-N 0 0 413.496 5.318 40 0 HKABRN O=C(Cc1c[nH]c2ccccc12)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 ZINC000072349672 527201957 /nfs/dbraw/zinc/20/19/57/527201957.db2.gz YZQRMNCGUVRSFX-UHFFFAOYSA-N 0 0 409.533 5.102 40 0 HKABRN Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)c1 ZINC000072349673 558946731 /nfs/dbraw/zinc/94/67/31/558946731.db2.gz QJTMCYZDJNDJAS-JOCHJYFZSA-N 0 0 423.560 5.411 40 0 HKABRN Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)c1 ZINC000072349674 558946712 /nfs/dbraw/zinc/94/67/12/558946712.db2.gz QJTMCYZDJNDJAS-QFIPXVFZSA-N 0 0 423.560 5.411 40 0 HKABRN O=C(Cc1ccc(O)cc1)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072349682 558946676 /nfs/dbraw/zinc/94/66/76/558946676.db2.gz SAMIHGGBNDBCBV-LJQANCHMSA-N 0 0 406.913 5.056 40 0 HKABRN O=C(Cc1ccc(O)cc1)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072349683 558946719 /nfs/dbraw/zinc/94/67/19/558946719.db2.gz SAMIHGGBNDBCBV-IBGZPJMESA-N 0 0 406.913 5.056 40 0 HKABRN Cc1ncsc1C(=O)N1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 ZINC000072349864 527475965 /nfs/dbraw/zinc/47/59/65/527475965.db2.gz HALDJXBLCAAUCX-UHFFFAOYSA-N 0 0 411.958 5.111 40 0 HKABRN Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072349865 558946715 /nfs/dbraw/zinc/94/67/15/558946715.db2.gz ZEJGYJTYJSCNTL-KRWDZBQOSA-N 0 0 411.958 5.111 40 0 HKABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072349866 558946726 /nfs/dbraw/zinc/94/67/26/558946726.db2.gz ZEJGYJTYJSCNTL-QGZVFWFLSA-N 0 0 411.958 5.111 40 0 HKABRN Cc1ncsc1C(=O)N1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000072349867 527476281 /nfs/dbraw/zinc/47/62/81/527476281.db2.gz DSJMALGGNKDUOR-UHFFFAOYSA-N 0 0 411.958 5.111 40 0 HKABRN Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072349868 558946747 /nfs/dbraw/zinc/94/67/47/558946747.db2.gz IVLBHTWVBWKXLD-KRWDZBQOSA-N 0 0 411.958 5.111 40 0 HKABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072349869 527476597 /nfs/dbraw/zinc/47/65/97/527476597.db2.gz IVLBHTWVBWKXLD-QGZVFWFLSA-N 0 0 411.958 5.111 40 0 HKABRN CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(C)c4)n3)C2)cc1 ZINC000072349873 558946690 /nfs/dbraw/zinc/94/66/90/558946690.db2.gz VKOHDVFVKIIPAK-JOCHJYFZSA-N 0 0 413.521 5.035 40 0 HKABRN CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3cccc(-c4cccc(C)c4)n3)C2)cc1 ZINC000072349874 558946733 /nfs/dbraw/zinc/94/67/33/558946733.db2.gz VKOHDVFVKIIPAK-QFIPXVFZSA-N 0 0 413.521 5.035 40 0 HKABRN Cc1nc(CC(=O)N2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)cs1 ZINC000072350054 558947043 /nfs/dbraw/zinc/94/70/43/558947043.db2.gz PRDDNPPMUWMJPL-KRWDZBQOSA-N 0 0 411.958 5.116 40 0 HKABRN Cc1nc(CC(=O)N2CCC[C@@H](c3cccc(-c4cccc(Cl)c4)n3)C2)cs1 ZINC000072350055 558947119 /nfs/dbraw/zinc/94/71/19/558947119.db2.gz PRDDNPPMUWMJPL-QGZVFWFLSA-N 0 0 411.958 5.116 40 0 HKABRN COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)n1 ZINC000072350358 559185532 /nfs/dbraw/zinc/18/55/32/559185532.db2.gz VHXVWXLLGMXIPV-JOCHJYFZSA-N 0 0 414.549 5.486 40 0 HKABRN COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)CCCc3ccccc3)C2)n1 ZINC000072350359 559185466 /nfs/dbraw/zinc/18/54/66/559185466.db2.gz VHXVWXLLGMXIPV-QFIPXVFZSA-N 0 0 414.549 5.486 40 0 HKABRN O=C(CCc1ccc(F)cc1)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 ZINC000072350364 558947314 /nfs/dbraw/zinc/94/73/14/558947314.db2.gz TYHYEQARDPYCAJ-UHFFFAOYSA-N 0 0 402.513 5.150 40 0 HKABRN O=C(CCc1ccc(F)cc1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072350365 558947256 /nfs/dbraw/zinc/94/72/56/558947256.db2.gz QXPAEUGWFCHSIT-OAQYLSRUSA-N 0 0 420.503 5.289 40 0 HKABRN O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072350366 526588808 /nfs/dbraw/zinc/58/88/08/526588808.db2.gz QXPAEUGWFCHSIT-NRFANRHFSA-N 0 0 420.503 5.289 40 0 HKABRN O=C(CCc1ccc(F)cc1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072350367 526587166 /nfs/dbraw/zinc/58/71/66/526587166.db2.gz VHKJCXQUVWQBCK-OAQYLSRUSA-N 0 0 420.503 5.289 40 0 HKABRN O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072350368 526588567 /nfs/dbraw/zinc/58/85/67/526588567.db2.gz VHKJCXQUVWQBCK-NRFANRHFSA-N 0 0 420.503 5.289 40 0 HKABRN Cc1nc(C(=O)N2CCC[C@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)co1 ZINC000072350454 558947498 /nfs/dbraw/zinc/94/74/98/558947498.db2.gz FFAWOLKHQRECJX-INIZCTEOSA-N 0 0 415.415 5.084 40 0 HKABRN Cc1nc(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)co1 ZINC000072350455 558947435 /nfs/dbraw/zinc/94/74/35/558947435.db2.gz FFAWOLKHQRECJX-MRXNPFEDSA-N 0 0 415.415 5.084 40 0 HKABRN Cc1nc2cc(C(=O)N3CCC[C@H](c4cccc(-c5cccs5)n4)C3)ccc2[nH]1 ZINC000072350731 558947653 /nfs/dbraw/zinc/94/76/53/558947653.db2.gz FTBBTINMVZWKIA-KRWDZBQOSA-N 0 0 402.523 5.015 40 0 HKABRN Cc1nc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5cccs5)n4)C3)ccc2[nH]1 ZINC000072350732 558947631 /nfs/dbraw/zinc/94/76/31/558947631.db2.gz FTBBTINMVZWKIA-QGZVFWFLSA-N 0 0 402.523 5.015 40 0 HKABRN CC(=O)N1CC[C@H](c2c3ccccc3sc2C(=O)N2CCC3(C2)CCCCC3)C1 ZINC000072352590 519628314 /nfs/dbraw/zinc/62/83/14/519628314.db2.gz RGWRIBGCWDTMFG-SFHVURJKSA-N 0 0 410.583 5.034 40 0 HKABRN CC(=O)N1CC[C@@H](c2c3ccccc3sc2C(=O)N2CCC3(C2)CCCCC3)C1 ZINC000072352591 558949244 /nfs/dbraw/zinc/94/92/44/558949244.db2.gz RGWRIBGCWDTMFG-GOSISDBHSA-N 0 0 410.583 5.034 40 0 HKABRN CC(=O)N1CC[C@@H](c2c3ccccc3sc2C(=O)Nc2cccc(OC(C)C)c2)C1 ZINC000072352604 519617036 /nfs/dbraw/zinc/61/70/36/519617036.db2.gz WDSDPTUNRAFWKG-QGZVFWFLSA-N 0 0 422.550 5.277 40 0 HKABRN CC(=O)N1CC[C@H](c2c3ccccc3sc2C(=O)Nc2cccc(OC(C)C)c2)C1 ZINC000072352605 519627869 /nfs/dbraw/zinc/62/78/69/519627869.db2.gz WDSDPTUNRAFWKG-KRWDZBQOSA-N 0 0 422.550 5.277 40 0 HKABRN O=C(CCCc1ccc(F)cc1)N1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1 ZINC000072353158 558949976 /nfs/dbraw/zinc/94/99/76/558949976.db2.gz LZGAGCCIXDTONG-JOCHJYFZSA-N 0 0 422.479 5.185 40 0 HKABRN O=C(CCCc1ccc(F)cc1)N1CCC[C@H]1c1ccc(Nc2ccc(F)cn2)cn1 ZINC000072353159 558949903 /nfs/dbraw/zinc/94/99/03/558949903.db2.gz LZGAGCCIXDTONG-QFIPXVFZSA-N 0 0 422.479 5.185 40 0 HKABRN Cc1cc(CCCC(=O)N2CCC[C@@H]2c2ccc(Nc3ccccn3)cn2)ccc1F ZINC000072353202 558949842 /nfs/dbraw/zinc/94/98/42/558949842.db2.gz BTSFVLNZPLDWJT-HSZRJFAPSA-N 0 0 418.516 5.354 40 0 HKABRN Cc1cc(CCCC(=O)N2CCC[C@H]2c2ccc(Nc3ccccn3)cn2)ccc1F ZINC000072353203 524633989 /nfs/dbraw/zinc/63/39/89/524633989.db2.gz BTSFVLNZPLDWJT-QHCPKHFHSA-N 0 0 418.516 5.354 40 0 HKABRN CC(C)(C(=O)N1CCC[C@@H]1c1ccc(Nc2ccccn2)cn1)c1ccccc1F ZINC000072353230 558949881 /nfs/dbraw/zinc/94/98/81/558949881.db2.gz XAIMMMVLTWTENV-OAQYLSRUSA-N 0 0 404.489 5.001 40 0 HKABRN CC(C)(C(=O)N1CCC[C@H]1c1ccc(Nc2ccccn2)cn1)c1ccccc1F ZINC000072353231 558949943 /nfs/dbraw/zinc/94/99/43/558949943.db2.gz XAIMMMVLTWTENV-NRFANRHFSA-N 0 0 404.489 5.001 40 0 HKABRN O=C(CCc1cccc(Cl)c1)N1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000072353408 526601612 /nfs/dbraw/zinc/60/16/12/526601612.db2.gz UNKIOKDDSKHEBW-LJQANCHMSA-N 0 0 420.944 5.212 40 0 HKABRN O=C(CCc1cccc(Cl)c1)N1CCC[C@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000072353409 558950393 /nfs/dbraw/zinc/95/03/93/558950393.db2.gz UNKIOKDDSKHEBW-IBGZPJMESA-N 0 0 420.944 5.212 40 0 HKABRN O=C(CCCc1ccc(F)cc1)N1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000072353414 558950475 /nfs/dbraw/zinc/95/04/75/558950475.db2.gz KOYNUVDMBBVRDX-HXUWFJFHSA-N 0 0 418.516 5.088 40 0 HKABRN O=C(CCCc1ccc(F)cc1)N1CCC[C@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000072353415 558950348 /nfs/dbraw/zinc/95/03/48/558950348.db2.gz KOYNUVDMBBVRDX-FQEVSTJZSA-N 0 0 418.516 5.088 40 0 HKABRN COc1cccc(C(=O)N2CCC[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)c1 ZINC000072353804 525799451 /nfs/dbraw/zinc/79/94/51/525799451.db2.gz WMJJBHFPILYESS-HSZRJFAPSA-N 0 0 400.522 5.009 40 0 HKABRN COc1cccc(C(=O)N2CCC[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)c1 ZINC000072353805 558950943 /nfs/dbraw/zinc/95/09/43/558950943.db2.gz WMJJBHFPILYESS-QHCPKHFHSA-N 0 0 400.522 5.009 40 0 HKABRN COc1cccc(C(=O)N2CCC[C@@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)c1 ZINC000072353806 558950916 /nfs/dbraw/zinc/95/09/16/558950916.db2.gz RWJXTCJSTBZQMW-JOCHJYFZSA-N 0 0 418.512 5.148 40 0 HKABRN COc1cccc(C(=O)N2CCC[C@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)c1 ZINC000072353807 525798664 /nfs/dbraw/zinc/79/86/64/525798664.db2.gz RWJXTCJSTBZQMW-QFIPXVFZSA-N 0 0 418.512 5.148 40 0 HKABRN Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CCCN(C(=O)C(C)C)C2)n1 ZINC000072353832 558950856 /nfs/dbraw/zinc/95/08/56/558950856.db2.gz WRIMNOWYNNDACK-LJQANCHMSA-N 0 0 404.476 5.362 40 0 HKABRN Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CCCN(C(=O)C(C)C)C2)n1 ZINC000072353833 558951040 /nfs/dbraw/zinc/95/10/40/558951040.db2.gz WRIMNOWYNNDACK-IBGZPJMESA-N 0 0 404.476 5.362 40 0 HKABRN Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 ZINC000072353862 558951074 /nfs/dbraw/zinc/95/10/74/558951074.db2.gz GNINAZYNIIWYND-HXUWFJFHSA-N 0 0 405.929 5.049 40 0 HKABRN Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 ZINC000072353863 524842590 /nfs/dbraw/zinc/84/25/90/524842590.db2.gz GNINAZYNIIWYND-FQEVSTJZSA-N 0 0 405.929 5.049 40 0 HKABRN Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 ZINC000072353864 524840980 /nfs/dbraw/zinc/84/09/80/524840980.db2.gz FSQIGBNITXAISI-HXUWFJFHSA-N 0 0 405.929 5.049 40 0 HKABRN Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 ZINC000072353865 558951104 /nfs/dbraw/zinc/95/11/04/558951104.db2.gz FSQIGBNITXAISI-FQEVSTJZSA-N 0 0 405.929 5.049 40 0 HKABRN Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)c3cccc4cccnc43)C2)n1 ZINC000072353968 559185790 /nfs/dbraw/zinc/18/57/90/559185790.db2.gz RLMNMQBTAOVRQB-XMMPIXPASA-N 0 0 421.544 5.549 40 0 HKABRN Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)c3cccc4cccnc43)C2)n1 ZINC000072353969 559185783 /nfs/dbraw/zinc/18/57/83/559185783.db2.gz RLMNMQBTAOVRQB-DEOSSOPVSA-N 0 0 421.544 5.549 40 0 HKABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2cc(Cc3ccccc3C)cc(C)n2)C1 ZINC000072354036 558951388 /nfs/dbraw/zinc/95/13/88/558951388.db2.gz KMANLPVOEVVLKB-OAQYLSRUSA-N 0 0 405.567 5.074 40 0 HKABRN Cc1ncsc1C(=O)N1CCC[C@H](c2cc(Cc3ccccc3C)cc(C)n2)C1 ZINC000072354037 558951390 /nfs/dbraw/zinc/95/13/90/558951390.db2.gz KMANLPVOEVVLKB-NRFANRHFSA-N 0 0 405.567 5.074 40 0 HKABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2cc(Cc3cccc(C)c3)cc(C)n2)C1 ZINC000072354038 527476897 /nfs/dbraw/zinc/47/68/97/527476897.db2.gz MLXNAHDUNFFMGE-OAQYLSRUSA-N 0 0 405.567 5.074 40 0 HKABRN Cc1ncsc1C(=O)N1CCC[C@H](c2cc(Cc3cccc(C)c3)cc(C)n2)C1 ZINC000072354039 527477969 /nfs/dbraw/zinc/47/79/69/527477969.db2.gz MLXNAHDUNFFMGE-NRFANRHFSA-N 0 0 405.567 5.074 40 0 HKABRN Cc1nc(CC(=O)N2CCC[C@@H](c3cc(Cc4ccccc4C)cc(C)n3)C2)cs1 ZINC000072354114 558951386 /nfs/dbraw/zinc/95/13/86/558951386.db2.gz WBJAEBDSMQLXEA-JOCHJYFZSA-N 0 0 419.594 5.003 40 0 HKABRN Cc1nc(CC(=O)N2CCC[C@H](c3cc(Cc4ccccc4C)cc(C)n3)C2)cs1 ZINC000072354115 558951392 /nfs/dbraw/zinc/95/13/92/558951392.db2.gz WBJAEBDSMQLXEA-QFIPXVFZSA-N 0 0 419.594 5.003 40 0 HKABRN Cc1nc(CC(=O)N2CCC[C@@H](c3cc(Cc4cccc(C)c4)cc(C)n3)C2)cs1 ZINC000072354116 558951430 /nfs/dbraw/zinc/95/14/30/558951430.db2.gz FBLZZUZLAWPXIA-JOCHJYFZSA-N 0 0 419.594 5.003 40 0 HKABRN Cc1nc(CC(=O)N2CCC[C@H](c3cc(Cc4cccc(C)c4)cc(C)n3)C2)cs1 ZINC000072354117 558951452 /nfs/dbraw/zinc/95/14/52/558951452.db2.gz FBLZZUZLAWPXIA-QFIPXVFZSA-N 0 0 419.594 5.003 40 0 HKABRN Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CCCN(Cc3ncc[nH]3)C2)n1 ZINC000072354180 558951580 /nfs/dbraw/zinc/95/15/80/558951580.db2.gz UFBIIIJNVMVQDR-LJQANCHMSA-N 0 0 414.475 5.102 40 0 HKABRN Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CCCN(Cc3ncc[nH]3)C2)n1 ZINC000072354181 558951614 /nfs/dbraw/zinc/95/16/14/558951614.db2.gz UFBIIIJNVMVQDR-IBGZPJMESA-N 0 0 414.475 5.102 40 0 HKABRN O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000072355876 558952778 /nfs/dbraw/zinc/95/27/78/558952778.db2.gz QTXWVIVKYKUPBY-JOCHJYFZSA-N 0 0 414.896 5.323 40 0 HKABRN O=C(c1ccc2ccccc2n1)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000072355877 558952794 /nfs/dbraw/zinc/95/27/94/558952794.db2.gz QTXWVIVKYKUPBY-QFIPXVFZSA-N 0 0 414.896 5.323 40 0 HKABRN COc1cccc(-c2nccc([C@H]3CCCN3C(=O)c3ccc4oc(C)cc4c3)n2)c1 ZINC000072355889 558952789 /nfs/dbraw/zinc/95/27/89/558952789.db2.gz WJXQCMARDDSBTB-JOCHJYFZSA-N 0 0 413.477 5.184 40 0 HKABRN COc1cccc(-c2nccc([C@@H]3CCCN3C(=O)c3ccc4oc(C)cc4c3)n2)c1 ZINC000072355890 558952731 /nfs/dbraw/zinc/95/27/31/558952731.db2.gz WJXQCMARDDSBTB-QFIPXVFZSA-N 0 0 413.477 5.184 40 0 HKABRN Cc1cc2cc(C(=O)N3CCC[C@@H]3c3ccnc(-c4ccc(Cl)cc4)n3)ccc2o1 ZINC000072355891 525635559 /nfs/dbraw/zinc/63/55/59/525635559.db2.gz ILFHETAKGCKZIB-OAQYLSRUSA-N 0 0 417.896 5.829 40 0 HKABRN Cc1cc2cc(C(=O)N3CCC[C@H]3c3ccnc(-c4ccc(Cl)cc4)n3)ccc2o1 ZINC000072355892 558952736 /nfs/dbraw/zinc/95/27/36/558952736.db2.gz ILFHETAKGCKZIB-NRFANRHFSA-N 0 0 417.896 5.829 40 0 HKABRN Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 ZINC000072356077 558952902 /nfs/dbraw/zinc/95/29/02/558952902.db2.gz FAHLCLSWRBAJLF-OAQYLSRUSA-N 0 0 405.929 5.049 40 0 HKABRN Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 ZINC000072356078 558952938 /nfs/dbraw/zinc/95/29/38/558952938.db2.gz FAHLCLSWRBAJLF-NRFANRHFSA-N 0 0 405.929 5.049 40 0 HKABRN Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 ZINC000072356095 558952898 /nfs/dbraw/zinc/95/28/98/558952898.db2.gz ZGBPBYUYWSFFGT-OAQYLSRUSA-N 0 0 405.929 5.049 40 0 HKABRN Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 ZINC000072356096 524842535 /nfs/dbraw/zinc/84/25/35/524842535.db2.gz ZGBPBYUYWSFFGT-NRFANRHFSA-N 0 0 405.929 5.049 40 0 HKABRN CN(CCCC(=O)N1CCCC[C@@H]1c1n[nH]cc1-c1cccc(F)c1)c1ccccc1 ZINC000072356350 558953355 /nfs/dbraw/zinc/95/33/55/558953355.db2.gz KJGIGDVANFLVFV-HSZRJFAPSA-N 0 0 420.532 5.186 40 0 HKABRN CN(CCCC(=O)N1CCCC[C@H]1c1n[nH]cc1-c1cccc(F)c1)c1ccccc1 ZINC000072356351 522717599 /nfs/dbraw/zinc/71/75/99/522717599.db2.gz KJGIGDVANFLVFV-QHCPKHFHSA-N 0 0 420.532 5.186 40 0 HKABRN O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072356463 558953305 /nfs/dbraw/zinc/95/33/05/558953305.db2.gz UWUZKGHMACKHGL-GOSISDBHSA-N 0 0 416.912 5.298 40 0 HKABRN O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072356464 526719430 /nfs/dbraw/zinc/71/94/30/526719430.db2.gz UWUZKGHMACKHGL-SFHVURJKSA-N 0 0 416.912 5.298 40 0 HKABRN Cc1nc2cc(C(=O)N3CCC[C@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc2[nH]1 ZINC000072356469 527117928 /nfs/dbraw/zinc/11/79/28/527117928.db2.gz LNERHIHKPYUZQL-IBGZPJMESA-N 0 0 414.484 5.092 40 0 HKABRN Cc1nc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc2[nH]1 ZINC000072356470 527117983 /nfs/dbraw/zinc/11/79/83/527117983.db2.gz LNERHIHKPYUZQL-LJQANCHMSA-N 0 0 414.484 5.092 40 0 HKABRN O=C(c1ccc2ncccc2c1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072356479 558953362 /nfs/dbraw/zinc/95/33/62/558953362.db2.gz PVSHLHRVQFAADS-OAQYLSRUSA-N 0 0 411.480 5.456 40 0 HKABRN O=C(c1ccc2ncccc2c1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072356480 558953300 /nfs/dbraw/zinc/95/33/00/558953300.db2.gz PVSHLHRVQFAADS-NRFANRHFSA-N 0 0 411.480 5.456 40 0 HKABRN O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072356481 558953329 /nfs/dbraw/zinc/95/33/29/558953329.db2.gz QYELRSDFFQRSRW-FQEVSTJZSA-N 0 0 411.480 5.456 40 0 HKABRN O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072356482 558953352 /nfs/dbraw/zinc/95/33/52/558953352.db2.gz QYELRSDFFQRSRW-HXUWFJFHSA-N 0 0 411.480 5.456 40 0 HKABRN O=C(c1cnc2ccccc2c1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072356485 558953366 /nfs/dbraw/zinc/95/33/66/558953366.db2.gz PHPQYOIVFKXVIW-FQEVSTJZSA-N 0 0 411.480 5.456 40 0 HKABRN O=C(c1cnc2ccccc2c1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072356486 558953368 /nfs/dbraw/zinc/95/33/68/558953368.db2.gz PHPQYOIVFKXVIW-HXUWFJFHSA-N 0 0 411.480 5.456 40 0 HKABRN O=C(c1ccccc1)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072357601 558953365 /nfs/dbraw/zinc/95/33/65/558953365.db2.gz OMRXJVAKZJLTMG-JOCHJYFZSA-N 0 0 410.439 5.669 40 0 HKABRN O=C(c1ccccc1)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072357602 558953408 /nfs/dbraw/zinc/95/34/08/558953408.db2.gz OMRXJVAKZJLTMG-QFIPXVFZSA-N 0 0 410.439 5.669 40 0 HKABRN O=C(Cc1ccccc1)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072357754 558953500 /nfs/dbraw/zinc/95/35/00/558953500.db2.gz QYJWYJYXERTHSX-HSZRJFAPSA-N 0 0 424.466 5.597 40 0 HKABRN O=C(Cc1ccccc1)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072357755 558953519 /nfs/dbraw/zinc/95/35/19/558953519.db2.gz QYJWYJYXERTHSX-QHCPKHFHSA-N 0 0 424.466 5.597 40 0 HKABRN O=C(c1cccnc1)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072357808 558953492 /nfs/dbraw/zinc/95/34/92/558953492.db2.gz QHZMKWQVDMVJMM-NRFANRHFSA-N 0 0 411.427 5.064 40 0 HKABRN O=C(c1cccnc1)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072357809 558953528 /nfs/dbraw/zinc/95/35/28/558953528.db2.gz QHZMKWQVDMVJMM-OAQYLSRUSA-N 0 0 411.427 5.064 40 0 HKABRN O=C(c1ccncc1)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072357828 558953530 /nfs/dbraw/zinc/95/35/30/558953530.db2.gz XNCQHPNQVCYSET-NRFANRHFSA-N 0 0 411.427 5.064 40 0 HKABRN O=C(c1ccncc1)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072357829 558953489 /nfs/dbraw/zinc/95/34/89/558953489.db2.gz XNCQHPNQVCYSET-OAQYLSRUSA-N 0 0 411.427 5.064 40 0 HKABRN O=C(c1ccccn1)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072357850 558953538 /nfs/dbraw/zinc/95/35/38/558953538.db2.gz LEFHLSSHMHBCDI-OAQYLSRUSA-N 0 0 411.427 5.064 40 0 HKABRN O=C(c1ccccn1)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072357851 558953450 /nfs/dbraw/zinc/95/34/50/558953450.db2.gz LEFHLSSHMHBCDI-NRFANRHFSA-N 0 0 411.427 5.064 40 0 HKABRN COc1ccc(CCC(=O)N2CCC[C@H]2c2cccc(Cc3ccc(C)cc3)n2)cc1 ZINC000072357890 558953691 /nfs/dbraw/zinc/95/36/91/558953691.db2.gz VLAHSAOJFUQRTH-SANMLTNESA-N 0 0 414.549 5.286 40 0 HKABRN COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(C)cc3)n2)cc1 ZINC000072357891 558953671 /nfs/dbraw/zinc/95/36/71/558953671.db2.gz VLAHSAOJFUQRTH-AREMUKBSSA-N 0 0 414.549 5.286 40 0 HKABRN COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc(Cc3ccccc3F)n2)cc1 ZINC000072357892 559186009 /nfs/dbraw/zinc/18/60/09/559186009.db2.gz PVIJLOGRLKFJLG-RUZDIDTESA-N 0 0 418.512 5.116 40 0 HKABRN COc1ccc(CCC(=O)N2CCC[C@H]2c2cccc(Cc3ccccc3F)n2)cc1 ZINC000072357893 559186007 /nfs/dbraw/zinc/18/60/07/559186007.db2.gz PVIJLOGRLKFJLG-VWLOTQADSA-N 0 0 418.512 5.116 40 0 HKABRN COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(F)cc3)n2)cc1 ZINC000072357894 523918949 /nfs/dbraw/zinc/91/89/49/523918949.db2.gz OCNVLCVUXJBCIG-RUZDIDTESA-N 0 0 418.512 5.116 40 0 HKABRN COc1ccc(CCC(=O)N2CCC[C@H]2c2cccc(Cc3ccc(F)cc3)n2)cc1 ZINC000072357895 559186015 /nfs/dbraw/zinc/18/60/15/559186015.db2.gz OCNVLCVUXJBCIG-VWLOTQADSA-N 0 0 418.512 5.116 40 0 HKABRN COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)cc1 ZINC000072357896 523918685 /nfs/dbraw/zinc/91/86/85/523918685.db2.gz ALXUXUIWGCPNOE-RUZDIDTESA-N 0 0 418.512 5.116 40 0 HKABRN COc1ccc(CCC(=O)N2CCC[C@H]2c2cccc(Cc3cccc(F)c3)n2)cc1 ZINC000072357897 558953680 /nfs/dbraw/zinc/95/36/80/558953680.db2.gz ALXUXUIWGCPNOE-VWLOTQADSA-N 0 0 418.512 5.116 40 0 HKABRN COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(Cc3ccccc3Cl)n2)cc1 ZINC000072357974 523892741 /nfs/dbraw/zinc/89/27/41/523892741.db2.gz NNHQSGFEJROIIY-XMMPIXPASA-N 0 0 420.940 5.241 40 0 HKABRN COc1ccc(CC(=O)N2CCC[C@H]2c2cccc(Cc3ccccc3Cl)n2)cc1 ZINC000072357975 558953719 /nfs/dbraw/zinc/95/37/19/558953719.db2.gz NNHQSGFEJROIIY-DEOSSOPVSA-N 0 0 420.940 5.241 40 0 HKABRN COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(Cl)cc3)n2)cc1 ZINC000072357976 558953645 /nfs/dbraw/zinc/95/36/45/558953645.db2.gz GYACUUCAHLHLMX-XMMPIXPASA-N 0 0 420.940 5.241 40 0 HKABRN COc1ccc(CC(=O)N2CCC[C@H]2c2cccc(Cc3ccc(Cl)cc3)n2)cc1 ZINC000072357977 523893198 /nfs/dbraw/zinc/89/31/98/523893198.db2.gz GYACUUCAHLHLMX-DEOSSOPVSA-N 0 0 420.940 5.241 40 0 HKABRN O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072357992 527229779 /nfs/dbraw/zinc/22/97/79/527229779.db2.gz JRXBIENBHDNVHD-QHCPKHFHSA-N 0 0 408.904 5.371 40 0 HKABRN O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072357993 558953694 /nfs/dbraw/zinc/95/36/94/558953694.db2.gz JRXBIENBHDNVHD-HSZRJFAPSA-N 0 0 408.904 5.371 40 0 HKABRN O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 ZINC000072357994 527230012 /nfs/dbraw/zinc/23/00/12/527230012.db2.gz JKYPRTOZLRKSAY-QHCPKHFHSA-N 0 0 408.904 5.371 40 0 HKABRN O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 ZINC000072357995 558953720 /nfs/dbraw/zinc/95/37/20/558953720.db2.gz JKYPRTOZLRKSAY-HSZRJFAPSA-N 0 0 408.904 5.371 40 0 HKABRN O=C(C1CCCC1)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358014 558953678 /nfs/dbraw/zinc/95/36/78/558953678.db2.gz ZXVFVCQQTJFKNU-NRFANRHFSA-N 0 0 402.460 5.545 40 0 HKABRN O=C(C1CCCC1)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358015 526297573 /nfs/dbraw/zinc/29/75/73/526297573.db2.gz ZXVFVCQQTJFKNU-OAQYLSRUSA-N 0 0 402.460 5.545 40 0 HKABRN Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)Cc3c[nH]c4ccccc34)n2)cc1 ZINC000072358016 558953721 /nfs/dbraw/zinc/95/37/21/558953721.db2.gz QNPSUKPBBFEZMV-SANMLTNESA-N 0 0 409.533 5.368 40 0 HKABRN Cc1ccc(Cc2cccc([C@H]3CCCN3C(=O)Cc3c[nH]c4ccccc34)n2)cc1 ZINC000072358017 558953728 /nfs/dbraw/zinc/95/37/28/558953728.db2.gz QNPSUKPBBFEZMV-AREMUKBSSA-N 0 0 409.533 5.368 40 0 HKABRN O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072358018 527203602 /nfs/dbraw/zinc/20/36/02/527203602.db2.gz CRQWIRNAVRCJED-VWLOTQADSA-N 0 0 413.496 5.199 40 0 HKABRN O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072358019 558953662 /nfs/dbraw/zinc/95/36/62/558953662.db2.gz CRQWIRNAVRCJED-RUZDIDTESA-N 0 0 413.496 5.199 40 0 HKABRN CCn1ccnc1CN1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358238 558953826 /nfs/dbraw/zinc/95/38/26/558953826.db2.gz RTYQBQJZQXCSTB-OAQYLSRUSA-N 0 0 414.475 5.245 40 0 HKABRN CCn1ccnc1CN1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358239 558953844 /nfs/dbraw/zinc/95/38/44/558953844.db2.gz RTYQBQJZQXCSTB-NRFANRHFSA-N 0 0 414.475 5.245 40 0 HKABRN COc1cccc(Cc2cccc([C@@H]3CCCN3C(=O)CCCc3ccccc3)n2)c1 ZINC000072358260 559185978 /nfs/dbraw/zinc/18/59/78/559185978.db2.gz UULAEMQIPCAQKB-SANMLTNESA-N 0 0 414.549 5.367 40 0 HKABRN COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)CCCc3ccccc3)n2)c1 ZINC000072358261 559185971 /nfs/dbraw/zinc/18/59/71/559185971.db2.gz UULAEMQIPCAQKB-AREMUKBSSA-N 0 0 414.549 5.367 40 0 HKABRN COc1ccccc1Cc1cccc([C@@H]2CCCN2C(=O)CCCc2ccccc2)n1 ZINC000072358262 559186013 /nfs/dbraw/zinc/18/60/13/559186013.db2.gz KZALUZSNMOMTTC-VWLOTQADSA-N 0 0 414.549 5.367 40 0 HKABRN COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)CCCc2ccccc2)n1 ZINC000072358263 559186022 /nfs/dbraw/zinc/18/60/22/559186022.db2.gz KZALUZSNMOMTTC-RUZDIDTESA-N 0 0 414.549 5.367 40 0 HKABRN O=C(c1ccccc1)N1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358471 559186003 /nfs/dbraw/zinc/18/60/03/559186003.db2.gz CNKTYGIEFRVDIH-SFHVURJKSA-N 0 0 411.427 5.182 40 0 HKABRN O=C(c1ccccc1)N1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358472 559186008 /nfs/dbraw/zinc/18/60/08/559186008.db2.gz CNKTYGIEFRVDIH-GOSISDBHSA-N 0 0 411.427 5.182 40 0 HKABRN O=C(CCc1ccccc1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358655 526608106 /nfs/dbraw/zinc/60/81/06/526608106.db2.gz FZKOQMXYZRCYBR-FQEVSTJZSA-N 0 0 405.929 5.136 40 0 HKABRN O=C(CCc1ccccc1)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358656 558954361 /nfs/dbraw/zinc/95/43/61/558954361.db2.gz FZKOQMXYZRCYBR-HXUWFJFHSA-N 0 0 405.929 5.136 40 0 HKABRN O=C(C1CCCC1)N1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358957 526296347 /nfs/dbraw/zinc/29/63/47/526296347.db2.gz RLBCEHVJUWINCQ-QGZVFWFLSA-N 0 0 403.448 5.059 40 0 HKABRN O=C(C1CCCC1)N1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358958 558954576 /nfs/dbraw/zinc/95/45/76/558954576.db2.gz RLBCEHVJUWINCQ-KRWDZBQOSA-N 0 0 403.448 5.059 40 0 HKABRN O=C(CCCc1ccccc1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072359157 559186076 /nfs/dbraw/zinc/18/60/76/559186076.db2.gz WIPMSWXMBNJWGK-NRFANRHFSA-N 0 0 403.501 5.012 40 0 HKABRN O=C(CCCc1ccccc1)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072359158 559186129 /nfs/dbraw/zinc/18/61/29/559186129.db2.gz WIPMSWXMBNJWGK-OAQYLSRUSA-N 0 0 403.501 5.012 40 0 HKABRN O=C(CCCc1ccccc1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 ZINC000072359159 558955022 /nfs/dbraw/zinc/95/50/22/558955022.db2.gz GMPRJDWCZDWMSO-FQEVSTJZSA-N 0 0 403.501 5.012 40 0 HKABRN O=C(CCCc1ccccc1)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 ZINC000072359160 526456995 /nfs/dbraw/zinc/45/69/95/526456995.db2.gz GMPRJDWCZDWMSO-HXUWFJFHSA-N 0 0 403.501 5.012 40 0 HKABRN O=C(CCCc1ccccc1)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072359161 526457210 /nfs/dbraw/zinc/45/72/10/526457210.db2.gz MMZSEDOLUXADBA-NRFANRHFSA-N 0 0 403.501 5.012 40 0 HKABRN O=C(CCCc1ccccc1)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072359162 559186127 /nfs/dbraw/zinc/18/61/27/559186127.db2.gz MMZSEDOLUXADBA-OAQYLSRUSA-N 0 0 403.501 5.012 40 0 HKABRN O=C(CCCc1ccccc1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072359167 526457783 /nfs/dbraw/zinc/45/77/83/526457783.db2.gz CJBPAGZCOLKEFZ-NRFANRHFSA-N 0 0 419.956 5.526 40 0 HKABRN O=C(CCCc1ccccc1)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072359168 558954963 /nfs/dbraw/zinc/95/49/63/558954963.db2.gz CJBPAGZCOLKEFZ-OAQYLSRUSA-N 0 0 419.956 5.526 40 0 HKABRN O=C(c1ccccc1)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000072359336 558955011 /nfs/dbraw/zinc/95/50/11/558955011.db2.gz VRICZWFWRMIYCP-UHFFFAOYSA-N 0 0 411.427 5.182 40 0 HKABRN O=C(c1ccccc1)N1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359337 558954988 /nfs/dbraw/zinc/95/49/88/558954988.db2.gz MOXHOAINHYEDEL-SFHVURJKSA-N 0 0 411.427 5.182 40 0 HKABRN O=C(c1ccccc1)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359338 526792980 /nfs/dbraw/zinc/79/29/80/526792980.db2.gz MOXHOAINHYEDEL-GOSISDBHSA-N 0 0 411.427 5.182 40 0 HKABRN O=C(CCc1ccccc1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 ZINC000072359465 558955181 /nfs/dbraw/zinc/95/51/81/558955181.db2.gz FVILOFZOGAQLLI-UHFFFAOYSA-N 0 0 405.929 5.136 40 0 HKABRN O=C(CCc1ccccc1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359466 558955132 /nfs/dbraw/zinc/95/51/32/558955132.db2.gz OXLZFXBWXCAPRC-FQEVSTJZSA-N 0 0 405.929 5.136 40 0 HKABRN O=C(CCc1ccccc1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359467 558955155 /nfs/dbraw/zinc/95/51/55/558955155.db2.gz OXLZFXBWXCAPRC-HXUWFJFHSA-N 0 0 405.929 5.136 40 0 HKABRN O=C(C1CCCC1)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000072359651 558955348 /nfs/dbraw/zinc/95/53/48/558955348.db2.gz HLYMLVHQJDQUMD-UHFFFAOYSA-N 0 0 403.448 5.059 40 0 HKABRN O=C(C1CCCC1)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359652 558955441 /nfs/dbraw/zinc/95/54/41/558955441.db2.gz COZKVPYZNFALAN-QGZVFWFLSA-N 0 0 403.448 5.059 40 0 HKABRN O=C(C1CCCC1)N1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359653 558955375 /nfs/dbraw/zinc/95/53/75/558955375.db2.gz COZKVPYZNFALAN-KRWDZBQOSA-N 0 0 403.448 5.059 40 0 HKABRN O=C(CCCc1ccccc1)N1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 ZINC000072359831 558955575 /nfs/dbraw/zinc/95/55/75/558955575.db2.gz OZNJUSCCRCDPDE-UHFFFAOYSA-N 0 0 403.501 5.012 40 0 HKABRN O=C(CCc1ccc(F)cc1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 ZINC000072359840 526586852 /nfs/dbraw/zinc/58/68/52/526586852.db2.gz CYCJVIOMTFGQQB-UHFFFAOYSA-N 0 0 423.919 5.275 40 0 HKABRN O=C(c1ccc2ncccc2c1)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000072361055 558955979 /nfs/dbraw/zinc/95/59/79/558955979.db2.gz WLAFYKGZFJTFTL-QFIPXVFZSA-N 0 0 414.896 5.323 40 0 HKABRN O=C(c1ccc2ncccc2c1)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000072361056 558955965 /nfs/dbraw/zinc/95/59/65/558955965.db2.gz WLAFYKGZFJTFTL-JOCHJYFZSA-N 0 0 414.896 5.323 40 0 HKABRN O=C(c1ccc2ncccc2c1)N1CCC[C@@H]1c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000072361057 558955944 /nfs/dbraw/zinc/95/59/44/558955944.db2.gz SMCKEAQGRDQAJH-JOCHJYFZSA-N 0 0 414.896 5.323 40 0 HKABRN O=C(c1ccc2ncccc2c1)N1CCC[C@H]1c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000072361058 558955985 /nfs/dbraw/zinc/95/59/85/558955985.db2.gz SMCKEAQGRDQAJH-QFIPXVFZSA-N 0 0 414.896 5.323 40 0 HKABRN CCOCc1ccc(C(=O)N2CCC[C@H](c3cc(-c4ccccc4)cc(C)n3)C2)cc1 ZINC000072370027 558956176 /nfs/dbraw/zinc/95/61/76/558956176.db2.gz BUAYEPMVIBSQMY-DEOSSOPVSA-N 0 0 414.549 5.613 40 0 HKABRN CCOCc1ccc(C(=O)N2CCC[C@@H](c3cc(-c4ccccc4)cc(C)n3)C2)cc1 ZINC000072370028 558956094 /nfs/dbraw/zinc/95/60/94/558956094.db2.gz BUAYEPMVIBSQMY-XMMPIXPASA-N 0 0 414.549 5.613 40 0 HKABRN CCCc1cc(C(=O)N2CCCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)no1 ZINC000072370035 558956174 /nfs/dbraw/zinc/95/61/74/558956174.db2.gz VMOMDUDJVJSAHA-HSZRJFAPSA-N 0 0 407.489 5.504 40 0 HKABRN CCCc1cc(C(=O)N2CCCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)no1 ZINC000072370036 558956115 /nfs/dbraw/zinc/95/61/15/558956115.db2.gz VMOMDUDJVJSAHA-QHCPKHFHSA-N 0 0 407.489 5.504 40 0 HKABRN COc1cccc(C(=O)N2CCC[C@@H](c3cc(-c4cccc(OC)c4)cc(C)n3)C2)c1 ZINC000072370051 558956363 /nfs/dbraw/zinc/95/63/63/558956363.db2.gz MHWAHLIZZAWRJP-OAQYLSRUSA-N 0 0 416.521 5.094 40 0 HKABRN COc1cccc(C(=O)N2CCC[C@H](c3cc(-c4cccc(OC)c4)cc(C)n3)C2)c1 ZINC000072370052 558956378 /nfs/dbraw/zinc/95/63/78/558956378.db2.gz MHWAHLIZZAWRJP-NRFANRHFSA-N 0 0 416.521 5.094 40 0 HKABRN CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072370467 558956850 /nfs/dbraw/zinc/95/68/50/558956850.db2.gz MSCUZRRGODQJJV-IBGZPJMESA-N 0 0 420.578 5.277 40 0 HKABRN CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072370468 558956860 /nfs/dbraw/zinc/95/68/60/558956860.db2.gz MSCUZRRGODQJJV-LJQANCHMSA-N 0 0 420.578 5.277 40 0 HKABRN CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)C1CCCC1 ZINC000072370531 519718982 /nfs/dbraw/zinc/71/89/82/519718982.db2.gz VWOSIOMQDGGVIA-SFHVURJKSA-N 0 0 412.599 5.153 40 0 HKABRN CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)C1CCCC1 ZINC000072370532 519718923 /nfs/dbraw/zinc/71/89/23/519718923.db2.gz VWOSIOMQDGGVIA-GOSISDBHSA-N 0 0 412.599 5.153 40 0 HKABRN CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1C(=O)C1CCCC1 ZINC000072370721 558957240 /nfs/dbraw/zinc/95/72/40/558957240.db2.gz ISHNGEZYDHABHL-SFHVURJKSA-N 0 0 412.599 5.107 40 0 HKABRN CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)C1CCCC1 ZINC000072370722 558957245 /nfs/dbraw/zinc/95/72/45/558957245.db2.gz ISHNGEZYDHABHL-GOSISDBHSA-N 0 0 412.599 5.107 40 0 HKABRN CC(=O)N1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)N1CCC(C)CC1 ZINC000072370815 558957227 /nfs/dbraw/zinc/95/72/27/558957227.db2.gz ZISLVFXGJBYPEP-IBGZPJMESA-N 0 0 412.599 5.107 40 0 HKABRN CC(=O)N1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)N1CCC(C)CC1 ZINC000072370816 558957218 /nfs/dbraw/zinc/95/72/18/558957218.db2.gz ZISLVFXGJBYPEP-LJQANCHMSA-N 0 0 412.599 5.107 40 0 HKABRN CC(C)c1ccc(OCCc2cc([C@@H]3CCN(C(=O)C4CCCCC4)C3)[nH]n2)cc1 ZINC000072371257 558958002 /nfs/dbraw/zinc/95/80/02/558958002.db2.gz JEVIXKMDIOXMAL-OAQYLSRUSA-N 0 0 409.574 5.051 40 0 HKABRN CC(C)c1ccc(OCCc2cc([C@H]3CCN(C(=O)C4CCCCC4)C3)[nH]n2)cc1 ZINC000072371258 558958006 /nfs/dbraw/zinc/95/80/06/558958006.db2.gz JEVIXKMDIOXMAL-NRFANRHFSA-N 0 0 409.574 5.051 40 0 HKABRN CC(C)c1ccc(OCCc2cc([C@@H]3CCN(C(=O)CC4CCCC4)C3)[nH]n2)cc1 ZINC000072371405 558958028 /nfs/dbraw/zinc/95/80/28/558958028.db2.gz MTVVHMWTGIAMNI-OAQYLSRUSA-N 0 0 409.574 5.051 40 0 HKABRN CC(C)c1ccc(OCCc2cc([C@H]3CCN(C(=O)CC4CCCC4)C3)[nH]n2)cc1 ZINC000072371406 558958217 /nfs/dbraw/zinc/95/82/17/558958217.db2.gz MTVVHMWTGIAMNI-NRFANRHFSA-N 0 0 409.574 5.051 40 0 HKABRN Cc1cc(Nc2nccs2)cc([C@@H]2CCCN2C(=O)c2cccc3ncccc32)n1 ZINC000072372560 558960157 /nfs/dbraw/zinc/96/01/57/558960157.db2.gz CUTSXRYYAINDRN-NRFANRHFSA-N 0 0 415.522 5.116 40 0 HKABRN Cc1cc(Nc2nccs2)cc([C@H]2CCCN2C(=O)c2cccc3ncccc32)n1 ZINC000072372561 558960053 /nfs/dbraw/zinc/96/00/53/558960053.db2.gz CUTSXRYYAINDRN-OAQYLSRUSA-N 0 0 415.522 5.116 40 0 HKABRN Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN2C(=O)CCCc2ccc(F)cc2)n1 ZINC000072372674 558960389 /nfs/dbraw/zinc/96/03/89/558960389.db2.gz FIBMVRSZSQCAJB-QHCPKHFHSA-N 0 0 418.516 5.354 40 0 HKABRN Cc1cc(Nc2ccccn2)cc([C@H]2CCCN2C(=O)CCCc2ccc(F)cc2)n1 ZINC000072372675 558960409 /nfs/dbraw/zinc/96/04/09/558960409.db2.gz FIBMVRSZSQCAJB-HSZRJFAPSA-N 0 0 418.516 5.354 40 0 HKABRN Cc1cc(Nc2nccs2)cc([C@@H]2CCCN2C(=O)CCCc2ccc(F)cc2)n1 ZINC000072372676 558960383 /nfs/dbraw/zinc/96/03/83/558960383.db2.gz ZOKRVBQKLCZQCB-NRFANRHFSA-N 0 0 424.545 5.416 40 0 HKABRN Cc1cc(Nc2nccs2)cc([C@H]2CCCN2C(=O)CCCc2ccc(F)cc2)n1 ZINC000072372677 558960378 /nfs/dbraw/zinc/96/03/78/558960378.db2.gz ZOKRVBQKLCZQCB-OAQYLSRUSA-N 0 0 424.545 5.416 40 0 HKABRN Cc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2c2cc(Nc3nccs3)cc(C)n2)cc1 ZINC000072372720 558960686 /nfs/dbraw/zinc/96/06/86/558960686.db2.gz SSBYSAXAXMVTKU-OAQYLSRUSA-N 0 0 420.582 5.540 40 0 HKABRN Cc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2cc(Nc3nccs3)cc(C)n2)cc1 ZINC000072372721 558960679 /nfs/dbraw/zinc/96/06/79/558960679.db2.gz SSBYSAXAXMVTKU-NRFANRHFSA-N 0 0 420.582 5.540 40 0 HKABRN Cc1cc(Cc2c(F)cccc2F)cc(C2CCN(C(=O)[C@@H]3CC34CCC4)CC2)n1 ZINC000072374083 524840652 /nfs/dbraw/zinc/84/06/52/524840652.db2.gz OYFQSJUGHRBMSG-FQEVSTJZSA-N 0 0 410.508 5.155 40 0 HKABRN Cc1cc(Cc2c(F)cccc2F)cc(C2CCN(C(=O)[C@H]3CC34CCC4)CC2)n1 ZINC000072374084 558961457 /nfs/dbraw/zinc/96/14/57/558961457.db2.gz OYFQSJUGHRBMSG-HXUWFJFHSA-N 0 0 410.508 5.155 40 0 HKABRN COc1c(C)cccc1C(=O)N1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1 ZINC000072374162 558961444 /nfs/dbraw/zinc/96/14/44/558961444.db2.gz VPVVAPYULKHWJN-UHFFFAOYSA-N 0 0 418.512 5.148 40 0 HKABRN O=C(CCc1cccc(Cl)c1)N1CCC(c2ccc(Nc3ccccn3)cn2)CC1 ZINC000072374308 558961746 /nfs/dbraw/zinc/96/17/46/558961746.db2.gz YGUPZXFUPZTMLA-UHFFFAOYSA-N 0 0 420.944 5.212 40 0 HKABRN Cc1cc(C)nc(Nc2ccc(C3CCN(C(=O)[C@@H]4CCC(C)=C(C)C4)CC3)nc2)n1 ZINC000072374364 558962004 /nfs/dbraw/zinc/96/20/04/558962004.db2.gz AGKLTMMHWFPNQK-OAQYLSRUSA-N 0 0 419.573 5.075 40 0 HKABRN Cc1cc(C)nc(Nc2ccc(C3CCN(C(=O)[C@H]4CCC(C)=C(C)C4)CC3)nc2)n1 ZINC000072374365 558962010 /nfs/dbraw/zinc/96/20/10/558962010.db2.gz AGKLTMMHWFPNQK-NRFANRHFSA-N 0 0 419.573 5.075 40 0 HKABRN Cc1cc(Cc2ccccc2)cc([C@@H]2CCN(C(=O)c3cccc4ncccc43)C2)n1 ZINC000072374763 558962776 /nfs/dbraw/zinc/96/27/76/558962776.db2.gz RXTKLMYBGINJSI-JOCHJYFZSA-N 0 0 407.517 5.159 40 0 HKABRN Cc1cc(Cc2ccccc2)cc([C@H]2CCN(C(=O)c3cccc4ncccc43)C2)n1 ZINC000072374764 558962740 /nfs/dbraw/zinc/96/27/40/558962740.db2.gz RXTKLMYBGINJSI-QFIPXVFZSA-N 0 0 407.517 5.159 40 0 HKABRN Cc1cnc(Nc2cccc([C@@H]3CCCN3C(=O)c3nccc4ccccc43)n2)s1 ZINC000072375311 526097702 /nfs/dbraw/zinc/09/77/02/526097702.db2.gz FOMCKASIFZGONS-IBGZPJMESA-N 0 0 415.522 5.116 40 0 HKABRN Cc1cnc(Nc2cccc([C@H]3CCCN3C(=O)c3nccc4ccccc43)n2)s1 ZINC000072375312 558963797 /nfs/dbraw/zinc/96/37/97/558963797.db2.gz FOMCKASIFZGONS-LJQANCHMSA-N 0 0 415.522 5.116 40 0 HKABRN CCn1c(CN2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)nc2ccccc21 ZINC000072375339 558964009 /nfs/dbraw/zinc/96/40/09/558964009.db2.gz NFUUEMUESCROIG-OAQYLSRUSA-N 0 0 412.541 5.235 40 0 HKABRN CCn1c(CN2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)nc2ccccc21 ZINC000072375340 558964047 /nfs/dbraw/zinc/96/40/47/558964047.db2.gz NFUUEMUESCROIG-NRFANRHFSA-N 0 0 412.541 5.235 40 0 HKABRN CCn1c(CN2CCC[C@@H]2c2cccc(Nc3ncc(C)s3)n2)nc2ccccc21 ZINC000072375341 558963990 /nfs/dbraw/zinc/96/39/90/558963990.db2.gz SJWVCWSMRZLFOB-LJQANCHMSA-N 0 0 418.570 5.297 40 0 HKABRN CCn1c(CN2CCC[C@H]2c2cccc(Nc3ncc(C)s3)n2)nc2ccccc21 ZINC000072375342 558964023 /nfs/dbraw/zinc/96/40/23/558964023.db2.gz SJWVCWSMRZLFOB-IBGZPJMESA-N 0 0 418.570 5.297 40 0 HKABRN Cc1cccc(Nc2cccc([C@@H]3CCCN3C(=O)c3cc4ccc(F)cc4[nH]3)n2)n1 ZINC000072375493 558963975 /nfs/dbraw/zinc/96/39/75/558963975.db2.gz OYJFNIJJMYWTNC-NRFANRHFSA-N 0 0 415.472 5.126 40 0 HKABRN Cc1cccc(Nc2cccc([C@H]3CCCN3C(=O)c3cc4ccc(F)cc4[nH]3)n2)n1 ZINC000072375494 524699908 /nfs/dbraw/zinc/69/99/08/524699908.db2.gz OYJFNIJJMYWTNC-OAQYLSRUSA-N 0 0 415.472 5.126 40 0 HKABRN O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072375561 558964219 /nfs/dbraw/zinc/96/42/19/558964219.db2.gz DWIJYWJZDBYXBZ-HXUWFJFHSA-N 0 0 417.538 5.059 40 0 HKABRN O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072375562 558964247 /nfs/dbraw/zinc/96/42/47/558964247.db2.gz DWIJYWJZDBYXBZ-FQEVSTJZSA-N 0 0 417.538 5.059 40 0 HKABRN Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)CCOc3ccccc3C)n2)n1 ZINC000072375617 558964249 /nfs/dbraw/zinc/96/42/49/558964249.db2.gz SMMZCPZFJFMEME-LJQANCHMSA-N 0 0 422.554 5.031 40 0 HKABRN Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)CCOc3ccccc3C)n2)n1 ZINC000072375618 558964240 /nfs/dbraw/zinc/96/42/40/558964240.db2.gz SMMZCPZFJFMEME-IBGZPJMESA-N 0 0 422.554 5.031 40 0 HKABRN Cc1cnc(Nc2cccc([C@H]3CCCN3C(=O)CCOc3ccccc3C)n2)s1 ZINC000072375619 558964250 /nfs/dbraw/zinc/96/42/50/558964250.db2.gz VGDZMYWBHCNBMO-LJQANCHMSA-N 0 0 422.554 5.031 40 0 HKABRN Cc1cnc(Nc2cccc([C@@H]3CCCN3C(=O)CCOc3ccccc3C)n2)s1 ZINC000072375620 558964248 /nfs/dbraw/zinc/96/42/48/558964248.db2.gz VGDZMYWBHCNBMO-IBGZPJMESA-N 0 0 422.554 5.031 40 0 HKABRN Cc1cccc(Nc2cccc([C@@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2)n1 ZINC000072375625 524700805 /nfs/dbraw/zinc/70/08/05/524700805.db2.gz KWNYPAOJLOIENT-NRFANRHFSA-N 0 0 420.944 5.478 40 0 HKABRN Cc1cccc(Nc2cccc([C@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2)n1 ZINC000072375626 558964441 /nfs/dbraw/zinc/96/44/41/558964441.db2.gz KWNYPAOJLOIENT-OAQYLSRUSA-N 0 0 420.944 5.478 40 0 HKABRN O=C(CCc1cccc(Cl)c1)N1CCC[C@@H]1c1cccc(Nc2ccc(F)cn2)n1 ZINC000072375627 558964443 /nfs/dbraw/zinc/96/44/43/558964443.db2.gz KYAHVRBJGQPFBE-HXUWFJFHSA-N 0 0 424.907 5.309 40 0 HKABRN O=C(CCc1cccc(Cl)c1)N1CCC[C@H]1c1cccc(Nc2ccc(F)cn2)n1 ZINC000072375628 558964385 /nfs/dbraw/zinc/96/43/85/558964385.db2.gz KYAHVRBJGQPFBE-FQEVSTJZSA-N 0 0 424.907 5.309 40 0 HKABRN O=C(CCc1cccc(Cl)c1)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072375631 558964407 /nfs/dbraw/zinc/96/44/07/558964407.db2.gz JKIKMZJZANYGDH-GOSISDBHSA-N 0 0 412.946 5.231 40 0 HKABRN O=C(CCc1cccc(Cl)c1)N1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072375632 558964415 /nfs/dbraw/zinc/96/44/15/558964415.db2.gz JKIKMZJZANYGDH-SFHVURJKSA-N 0 0 412.946 5.231 40 0 HKABRN Cc1cccc(Nc2cccc([C@@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)n1 ZINC000072375639 558964427 /nfs/dbraw/zinc/96/44/27/558964427.db2.gz LUBJUBPAXWZLTJ-QFIPXVFZSA-N 0 0 418.516 5.354 40 0 HKABRN Cc1cccc(Nc2cccc([C@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)n1 ZINC000072375640 558964438 /nfs/dbraw/zinc/96/44/38/558964438.db2.gz LUBJUBPAXWZLTJ-JOCHJYFZSA-N 0 0 418.516 5.354 40 0 HKABRN O=C(CCCc1ccc(F)cc1)N1CCC[C@H]1c1cccc(Nc2ccc(F)cn2)n1 ZINC000072375641 558964402 /nfs/dbraw/zinc/96/44/02/558964402.db2.gz ICFZCYDBUDHOAW-NRFANRHFSA-N 0 0 422.479 5.185 40 0 HKABRN O=C(CCCc1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Nc2ccc(F)cn2)n1 ZINC000072375642 526455994 /nfs/dbraw/zinc/45/59/94/526455994.db2.gz ICFZCYDBUDHOAW-OAQYLSRUSA-N 0 0 422.479 5.185 40 0 HKABRN Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)n1 ZINC000072375645 526396574 /nfs/dbraw/zinc/39/65/74/526396574.db2.gz ZXVRRRBOJBTOAF-FQEVSTJZSA-N 0 0 424.545 5.416 40 0 HKABRN Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)n1 ZINC000072375646 558964404 /nfs/dbraw/zinc/96/44/04/558964404.db2.gz ZXVRRRBOJBTOAF-HXUWFJFHSA-N 0 0 424.545 5.416 40 0 HKABRN Cc1cnc(Nc2cccc([C@@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)s1 ZINC000072375647 558964423 /nfs/dbraw/zinc/96/44/23/558964423.db2.gz VPMHQMJYQRPCSU-FQEVSTJZSA-N 0 0 424.545 5.416 40 0 HKABRN Cc1cnc(Nc2cccc([C@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)s1 ZINC000072375648 558964400 /nfs/dbraw/zinc/96/44/00/558964400.db2.gz VPMHQMJYQRPCSU-HXUWFJFHSA-N 0 0 424.545 5.416 40 0 HKABRN Cc1cc(CCCC(=O)N2CCC[C@@H]2c2cccc(Nc3nccs3)n2)ccc1F ZINC000072375809 558964790 /nfs/dbraw/zinc/96/47/90/558964790.db2.gz QMSBWBSQPSFWEK-HXUWFJFHSA-N 0 0 424.545 5.416 40 0 HKABRN Cc1cc(CCCC(=O)N2CCC[C@H]2c2cccc(Nc3nccs3)n2)ccc1F ZINC000072375810 558964896 /nfs/dbraw/zinc/96/48/96/558964896.db2.gz QMSBWBSQPSFWEK-FQEVSTJZSA-N 0 0 424.545 5.416 40 0 HKABRN Cc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2c2cccc(Nc3ccc(F)cn3)n2)cc1 ZINC000072375845 558964856 /nfs/dbraw/zinc/96/48/56/558964856.db2.gz ICAYCMGDNDNGAI-OAQYLSRUSA-N 0 0 418.516 5.309 40 0 HKABRN Cc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2cccc(Nc3ccc(F)cn3)n2)cc1 ZINC000072375846 558964821 /nfs/dbraw/zinc/96/48/21/558964821.db2.gz ICAYCMGDNDNGAI-NRFANRHFSA-N 0 0 418.516 5.309 40 0 HKABRN Cc1cnc(Nc2cccc([C@H]3CCCN3C(=O)C(C)(C)c3ccc(C)cc3)n2)s1 ZINC000072375847 558964869 /nfs/dbraw/zinc/96/48/69/558964869.db2.gz LZECONOTLQXVIE-HXUWFJFHSA-N 0 0 420.582 5.540 40 0 HKABRN Cc1cnc(Nc2cccc([C@@H]3CCCN3C(=O)C(C)(C)c3ccc(C)cc3)n2)s1 ZINC000072375848 558964831 /nfs/dbraw/zinc/96/48/31/558964831.db2.gz LZECONOTLQXVIE-FQEVSTJZSA-N 0 0 420.582 5.540 40 0 HKABRN Nc1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2C(=O)CCc2ccccc2)n1 ZINC000072376911 558966135 /nfs/dbraw/zinc/96/61/35/558966135.db2.gz IUMBDJFFLGKSQL-OAQYLSRUSA-N 0 0 420.944 5.066 40 0 HKABRN Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)CCc2ccccc2)n1 ZINC000072376912 527562516 /nfs/dbraw/zinc/56/25/16/527562516.db2.gz IUMBDJFFLGKSQL-NRFANRHFSA-N 0 0 420.944 5.066 40 0 HKABRN CC(C)c1nccn1-c1cccc(C2CCN(C(=O)CCCc3ccccc3)CC2)n1 ZINC000072378553 558967571 /nfs/dbraw/zinc/96/75/71/558967571.db2.gz BVBDKGGCDHCNDB-UHFFFAOYSA-N 0 0 416.569 5.120 40 0 HKABRN CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)CCCc2ccccc2)n1 ZINC000072378987 558967838 /nfs/dbraw/zinc/96/78/38/558967838.db2.gz IJZXTDWNUISOMY-QFIPXVFZSA-N 0 0 402.542 5.077 40 0 HKABRN CC(C)c1nccn1-c1cccc([C@H]2CCCN2C(=O)CCCc2ccccc2)n1 ZINC000072378988 558967842 /nfs/dbraw/zinc/96/78/42/558967842.db2.gz IJZXTDWNUISOMY-JOCHJYFZSA-N 0 0 402.542 5.077 40 0 HKABRN Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)c3cccnc3)CC2)n1 ZINC000072380157 558968289 /nfs/dbraw/zinc/96/82/89/558968289.db2.gz SWBAHNDVBZOQNI-UHFFFAOYSA-N 0 0 405.929 5.049 40 0 HKABRN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 ZINC000072380259 558968321 /nfs/dbraw/zinc/96/83/21/558968321.db2.gz JKTFTQOZVRQMNX-MRXNPFEDSA-N 0 0 400.309 5.403 40 0 HKABRN O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 ZINC000072380260 558968537 /nfs/dbraw/zinc/96/85/37/558968537.db2.gz JKTFTQOZVRQMNX-INIZCTEOSA-N 0 0 400.309 5.403 40 0 HKABRN COc1cccc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)CCc2ccc(Cl)cc2)c1 ZINC000072380383 558968595 /nfs/dbraw/zinc/96/85/95/558968595.db2.gz VQGCHFVTHYEPPF-NRFANRHFSA-N 0 0 409.917 5.035 40 0 HKABRN COc1cccc(-c2c[nH]nc2[C@H]2CCCN2C(=O)CCc2ccc(Cl)cc2)c1 ZINC000072380384 525698162 /nfs/dbraw/zinc/69/81/62/525698162.db2.gz VQGCHFVTHYEPPF-OAQYLSRUSA-N 0 0 409.917 5.035 40 0 HKABRN O=C(CCc1ccc(Cl)cc1)N1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000072380385 558968438 /nfs/dbraw/zinc/96/84/38/558968438.db2.gz KRGWFDNULLIYIM-SFHVURJKSA-N 0 0 411.908 5.208 40 0 HKABRN O=C(CCc1ccc(Cl)cc1)N1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000072380386 558968575 /nfs/dbraw/zinc/96/85/75/558968575.db2.gz KRGWFDNULLIYIM-GOSISDBHSA-N 0 0 411.908 5.208 40 0 HKABRN O=C(CCc1ccc(Cl)cc1)N1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000072380389 558968547 /nfs/dbraw/zinc/96/85/47/558968547.db2.gz HYVPBAYWBLHNDU-GOSISDBHSA-N 0 0 411.908 5.208 40 0 HKABRN O=C(CCc1ccc(Cl)cc1)N1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000072380390 558968460 /nfs/dbraw/zinc/96/84/60/558968460.db2.gz HYVPBAYWBLHNDU-SFHVURJKSA-N 0 0 411.908 5.208 40 0 HKABRN CN(CCCC(=O)N1CCC[C@@H]1c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 ZINC000072380415 558968544 /nfs/dbraw/zinc/96/85/44/558968544.db2.gz OJWXPBKVXWXPHK-JOCHJYFZSA-N 0 0 422.960 5.310 40 0 HKABRN CN(CCCC(=O)N1CCC[C@H]1c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 ZINC000072380416 522716393 /nfs/dbraw/zinc/71/63/93/522716393.db2.gz OJWXPBKVXWXPHK-QFIPXVFZSA-N 0 0 422.960 5.310 40 0 HKABRN CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCN2C(=O)CC2CCCCC2)n1 ZINC000072390713 558970991 /nfs/dbraw/zinc/97/09/91/558970991.db2.gz WURVGRDRLYPQFB-FQEVSTJZSA-N 0 0 410.562 5.335 40 0 HKABRN CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCN2C(=O)CC2CCCCC2)n1 ZINC000072390714 558970972 /nfs/dbraw/zinc/97/09/72/558970972.db2.gz WURVGRDRLYPQFB-HXUWFJFHSA-N 0 0 410.562 5.335 40 0 HKABRN CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCCN2C(=O)CC2CCCCC2)n1 ZINC000072390727 558970974 /nfs/dbraw/zinc/97/09/74/558970974.db2.gz BJFJPVUWLLDKFS-NRFANRHFSA-N 0 0 424.589 5.725 40 0 HKABRN CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCCN2C(=O)CC2CCCCC2)n1 ZINC000072390728 558970905 /nfs/dbraw/zinc/97/09/05/558970905.db2.gz BJFJPVUWLLDKFS-OAQYLSRUSA-N 0 0 424.589 5.725 40 0 HKABRN CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCCN2C(=O)c2ccccc2)n1 ZINC000072390731 558971024 /nfs/dbraw/zinc/97/10/24/558971024.db2.gz DCSLUWJXQJLUJR-FQEVSTJZSA-N 0 0 404.514 5.068 40 0 HKABRN CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCCN2C(=O)c2ccccc2)n1 ZINC000072390732 558971011 /nfs/dbraw/zinc/97/10/11/558971011.db2.gz DCSLUWJXQJLUJR-HXUWFJFHSA-N 0 0 404.514 5.068 40 0 HKABRN c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCCN3Cc3ccccn3)n2)cc1 ZINC000072391345 558971386 /nfs/dbraw/zinc/97/13/86/558971386.db2.gz WLFLFKKVGPKNFM-DEOSSOPVSA-N 0 0 422.536 5.404 40 0 HKABRN c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCCN3Cc3ccccn3)n2)cc1 ZINC000072391346 558971324 /nfs/dbraw/zinc/97/13/24/558971324.db2.gz WLFLFKKVGPKNFM-XMMPIXPASA-N 0 0 422.536 5.404 40 0 HKABRN O=C(C1CCC1)N1CCCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000072391349 558971368 /nfs/dbraw/zinc/97/13/68/558971368.db2.gz JSDAFVZRZFRCJT-QFIPXVFZSA-N 0 0 413.525 5.136 40 0 HKABRN O=C(C1CCC1)N1CCCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000072391350 558971302 /nfs/dbraw/zinc/97/13/02/558971302.db2.gz JSDAFVZRZFRCJT-JOCHJYFZSA-N 0 0 413.525 5.136 40 0 HKABRN Cc1ccc(CC(=O)N2CCc3nc(-c4cccc(C(F)(F)F)c4)sc3C2)cc1 ZINC000072391989 558971928 /nfs/dbraw/zinc/97/19/28/558971928.db2.gz NCSLUJVSOAVGDW-UHFFFAOYSA-N 0 0 416.468 5.265 40 0 HKABRN Fc1cccc(-c2nc3c(s2)CN(Cc2ccc(Oc4ncccn4)cc2)CC3)c1 ZINC000072392030 558971888 /nfs/dbraw/zinc/97/18/88/558971888.db2.gz LTPICYNQUVNOFJ-UHFFFAOYSA-N 0 0 418.497 5.090 40 0 HKABRN C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCc2nc(-c3ccccc3F)sc2C1 ZINC000072392036 558971857 /nfs/dbraw/zinc/97/18/57/558971857.db2.gz VSAISRDKPNLXQJ-AWEZNQCLSA-N 0 0 414.933 5.366 40 0 HKABRN C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCc2nc(-c3ccccc3F)sc2C1 ZINC000072392037 558971865 /nfs/dbraw/zinc/97/18/65/558971865.db2.gz VSAISRDKPNLXQJ-CQSZACIVSA-N 0 0 414.933 5.366 40 0 HKABRN COc1cccc(-c2nc3c(s2)CN(Cc2cc4cccc(OC)c4o2)CC3)c1 ZINC000072392046 558971965 /nfs/dbraw/zinc/97/19/65/558971965.db2.gz PPMRNNGBAYOZKX-UHFFFAOYSA-N 0 0 406.507 5.132 40 0 HKABRN COc1ccc(C2(C(=O)N3CCC(c4onc5c4CCCC5)CC3)CCCCC2)cc1 ZINC000072392440 558972180 /nfs/dbraw/zinc/97/21/80/558972180.db2.gz RHBQDERYPZLJRO-UHFFFAOYSA-N 0 0 422.569 5.170 40 0 HKABRN C[C@H](C(=O)N1CCC[C@H](c2[nH]c3ccccc3c2-c2ccncc2)C1)c1ccccc1 ZINC000072396376 558975221 /nfs/dbraw/zinc/97/52/21/558975221.db2.gz GIHZZZBIKKNKLD-UGKGYDQZSA-N 0 0 409.533 5.740 40 0 HKABRN C[C@@H](C(=O)N1CCC[C@H](c2[nH]c3ccccc3c2-c2ccncc2)C1)c1ccccc1 ZINC000072396377 558975203 /nfs/dbraw/zinc/97/52/03/558975203.db2.gz GIHZZZBIKKNKLD-KNQAVFIVSA-N 0 0 409.533 5.740 40 0 HKABRN C[C@H](C(=O)N1CCC[C@@H](c2[nH]c3ccccc3c2-c2ccncc2)C1)c1ccccc1 ZINC000072396378 558975406 /nfs/dbraw/zinc/97/54/06/558975406.db2.gz GIHZZZBIKKNKLD-SIKLNZKXSA-N 0 0 409.533 5.740 40 0 HKABRN C[C@@H](C(=O)N1CCC[C@@H](c2[nH]c3ccccc3c2-c2ccncc2)C1)c1ccccc1 ZINC000072396379 558975332 /nfs/dbraw/zinc/97/53/32/558975332.db2.gz GIHZZZBIKKNKLD-DENIHFKCSA-N 0 0 409.533 5.740 40 0 HKABRN O=C(Cc1ccsc1)N1CCC[C@@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 ZINC000072396406 558975277 /nfs/dbraw/zinc/97/52/77/558975277.db2.gz QRHBCTUOYUEAIK-LJQANCHMSA-N 0 0 401.535 5.240 40 0 HKABRN O=C(Cc1ccsc1)N1CCC[C@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 ZINC000072396407 558975329 /nfs/dbraw/zinc/97/53/29/558975329.db2.gz QRHBCTUOYUEAIK-IBGZPJMESA-N 0 0 401.535 5.240 40 0 HKABRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4cscn4)C3)c(-c3ccncc3)c2c1 ZINC000072396631 526103199 /nfs/dbraw/zinc/10/31/99/526103199.db2.gz OMOXHYWXGFJGBL-QGZVFWFLSA-N 0 0 402.523 5.015 40 0 HKABRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4cscn4)C3)c(-c3ccncc3)c2c1 ZINC000072396632 526105036 /nfs/dbraw/zinc/10/50/36/526105036.db2.gz OMOXHYWXGFJGBL-KRWDZBQOSA-N 0 0 402.523 5.015 40 0 HKABRN Cc1cccc2c1[nH]c([C@@H]1CCCN(C(=O)c3cscn3)C1)c2-c1ccncc1 ZINC000072396760 558975571 /nfs/dbraw/zinc/97/55/71/558975571.db2.gz DEUOKRMLHKIFMX-QGZVFWFLSA-N 0 0 402.523 5.015 40 0 HKABRN Cc1cccc2c1[nH]c([C@H]1CCCN(C(=O)c3cscn3)C1)c2-c1ccncc1 ZINC000072396761 524964122 /nfs/dbraw/zinc/96/41/22/524964122.db2.gz DEUOKRMLHKIFMX-KRWDZBQOSA-N 0 0 402.523 5.015 40 0 HKABRN C=Cn1cccc1C(=O)N1CCC[C@@H](c2[nH]c3ccc(C)cc3c2-c2ccncc2)C1 ZINC000072396790 558975514 /nfs/dbraw/zinc/97/55/14/558975514.db2.gz PQXIWZITKCMNEN-HXUWFJFHSA-N 0 0 410.521 5.460 40 0 HKABRN C=Cn1cccc1C(=O)N1CCC[C@H](c2[nH]c3ccc(C)cc3c2-c2ccncc2)C1 ZINC000072396791 519330368 /nfs/dbraw/zinc/33/03/68/519330368.db2.gz PQXIWZITKCMNEN-FQEVSTJZSA-N 0 0 410.521 5.460 40 0 HKABRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CCn4cccc4)C3)c(-c3ccncc3)c2c1 ZINC000072396850 558975552 /nfs/dbraw/zinc/97/55/52/558975552.db2.gz CTDQTRJLOHCYHU-OAQYLSRUSA-N 0 0 412.537 5.136 40 0 HKABRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)CCn4cccc4)C3)c(-c3ccncc3)c2c1 ZINC000072396851 558975567 /nfs/dbraw/zinc/97/55/67/558975567.db2.gz CTDQTRJLOHCYHU-NRFANRHFSA-N 0 0 412.537 5.136 40 0 HKABRN COc1ccc(C(=O)CCNc2ccc(-c3nc4ccccc4s3)cc2)cc1OC ZINC000072408081 559198220 /nfs/dbraw/zinc/19/82/20/559198220.db2.gz LGZVJASPJDJTRB-UHFFFAOYSA-N 0 0 418.518 5.665 40 0 HKABRN O=C(CCNc1ccc(-c2nc3ccccc3s2)cc1)c1ccc2c(c1)OCO2 ZINC000072408083 559198218 /nfs/dbraw/zinc/19/82/18/559198218.db2.gz QKWAIJLERSJVQH-UHFFFAOYSA-N 0 0 402.475 5.377 40 0 HKABRN CO[C@H](c1nc(-c2ccc(Br)cc2)c[nH]1)c1ccc(Br)cc1 ZINC000072414110 558977994 /nfs/dbraw/zinc/97/79/94/558977994.db2.gz FYADQLITCANWER-INIZCTEOSA-N 0 0 422.120 5.338 40 0 HKABRN CO[C@@H](c1nc(-c2ccc(Br)cc2)c[nH]1)c1ccc(Br)cc1 ZINC000072414111 558977940 /nfs/dbraw/zinc/97/79/40/558977940.db2.gz FYADQLITCANWER-MRXNPFEDSA-N 0 0 422.120 5.338 40 0 HKABRN Cc1nn(-c2ccccc2)cc1-c1ccnc(N2CCC(Cc3ccccc3)CC2)n1 ZINC000072461889 527557810 /nfs/dbraw/zinc/55/78/10/527557810.db2.gz RFRADBBPJPAZEF-UHFFFAOYSA-N 0 0 409.537 5.097 40 0 HKABRN CCCCN1[C@@H]2N(CCCC)C(=O)N(c3ccc(OCC)cc3)[C@H]1C(C)(C)C2(C)C ZINC000073352984 520598704 /nfs/dbraw/zinc/59/87/04/520598704.db2.gz LMMIGDVIKSSQIE-YADHBBJMSA-N 0 0 415.622 5.948 40 0 HKABRN O=C([O-])CCC[N@H+](Cc1ccc(F)cc1)Cc1ccc(OCc2ccccc2)cc1 ZINC000073633151 558986702 /nfs/dbraw/zinc/98/67/02/558986702.db2.gz KOYRDNWTOISRKK-UHFFFAOYSA-N 0 0 407.485 5.272 40 0 HKABRN Cc1cc2[nH]c(-c3cc(Br)cc(Br)c3N)nc2cc1Cl ZINC000073634803 558809407 /nfs/dbraw/zinc/80/94/07/558809407.db2.gz VSAKHSZBKZMWGX-UHFFFAOYSA-N 0 0 415.516 5.299 40 0 HKABRN Cc1cc2sc(-c3cc(Br)c(N)c(Br)c3)nc2c(C)c1 ZINC000073635439 558849163 /nfs/dbraw/zinc/84/91/63/558849163.db2.gz UPQJEIWXKWHOSE-UHFFFAOYSA-N 0 0 412.150 5.687 40 0 HKABRN Cc1cc2sc(-c3cc(Br)cc(Br)c3N)nc2c(C)c1 ZINC000073635463 525699197 /nfs/dbraw/zinc/69/91/97/525699197.db2.gz IERHOLGZIMEPDA-UHFFFAOYSA-N 0 0 412.150 5.687 40 0 HKABRN Cc1cc2nc(-c3ccc(Br)cc3Cl)oc2c(Br)c1C ZINC000073638115 558849077 /nfs/dbraw/zinc/84/90/77/558849077.db2.gz JYMUSTDTFRPIHO-UHFFFAOYSA-N 0 0 415.512 6.290 40 0 HKABRN Cc1cc2nc(-c3ccc(Br)cc3Cl)oc2c(Br)c1 ZINC000073638116 558849068 /nfs/dbraw/zinc/84/90/68/558849068.db2.gz NWIFRBLJNAMWAX-UHFFFAOYSA-N 0 0 401.485 5.982 40 0 HKABRN CCc1cc2nc(-c3ccc(Br)cc3Cl)oc2c(Br)c1 ZINC000073638118 523851371 /nfs/dbraw/zinc/85/13/71/523851371.db2.gz HGTDFBDJELVXDI-UHFFFAOYSA-N 0 0 415.512 6.236 40 0 HKABRN CCc1cc2nc(-c3ccc(Cl)cc3Br)oc2c(Br)c1 ZINC000073638158 523851234 /nfs/dbraw/zinc/85/12/34/523851234.db2.gz IOPQZSTYTZCYBJ-UHFFFAOYSA-N 0 0 415.512 6.236 40 0 HKABRN Cc1cc2nc(-c3ccc(Cl)cc3Br)oc2c(Br)c1 ZINC000073638159 525668970 /nfs/dbraw/zinc/66/89/70/525668970.db2.gz PORQJSHEZREKEM-UHFFFAOYSA-N 0 0 401.485 5.982 40 0 HKABRN Cc1cc2nc(-c3ccc(Cl)cc3Br)oc2c(Br)c1C ZINC000073638161 558849020 /nfs/dbraw/zinc/84/90/20/558849020.db2.gz FUYANEMXYRRGOW-UHFFFAOYSA-N 0 0 415.512 6.290 40 0 HKABRN Cc1cc2[nH]c(-c3ccc(Br)cc3Br)nc2cc1Cl ZINC000073638181 558849202 /nfs/dbraw/zinc/84/92/02/558849202.db2.gz ZXNYFEWTMVGZMY-UHFFFAOYSA-N 0 0 400.501 5.717 40 0 HKABRN Clc1cc2nc(-c3ccc(Br)cc3Br)oc2c(Cl)c1 ZINC000073638186 558849183 /nfs/dbraw/zinc/84/91/83/558849183.db2.gz IIFATJGOZBYGOD-UHFFFAOYSA-N 0 0 421.903 6.327 40 0 HKABRN CC(C)c1cc2nc(-c3ccc(Br)cc3F)oc2c(Br)c1 ZINC000073638246 558849709 /nfs/dbraw/zinc/84/97/09/558849709.db2.gz VZXQMRZYDANKBB-UHFFFAOYSA-N 0 0 413.084 6.282 40 0 HKABRN CCOC(=O)/C=C/c1cc(Br)c(-c2ccc(Br)cc2F)o1 ZINC000073638290 558849645 /nfs/dbraw/zinc/84/96/45/558849645.db2.gz QILMISSSDDYVAU-GQCTYLIASA-N 0 0 418.056 5.187 40 0 HKABRN COC(=O)/C=C/c1cc(Br)c(-c2ccc(Br)cc2Cl)o1 ZINC000073638305 558849715 /nfs/dbraw/zinc/84/97/15/558849715.db2.gz NQWGXDWSEYZIHQ-HWKANZROSA-N 0 0 420.484 5.311 40 0 HKABRN CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2Br)o1 ZINC000073638347 558849659 /nfs/dbraw/zinc/84/96/59/558849659.db2.gz PBUWZSHOYYEBIG-VMPITWQZSA-N 0 0 400.066 5.048 40 0 HKABRN CC(C)c1cc2nc(Cc3ccc(Br)cc3)oc2c(Br)c1 ZINC000073638754 558849696 /nfs/dbraw/zinc/84/96/96/558849696.db2.gz YZLHMZYMLWTJSZ-UHFFFAOYSA-N 0 0 409.121 6.067 40 0 HKABRN Brc1ccc2nc(-c3cccc(I)c3)sc2c1 ZINC000073638910 558849867 /nfs/dbraw/zinc/84/98/67/558849867.db2.gz ZZTXUKVAJLPHQX-UHFFFAOYSA-N 0 0 416.081 5.330 40 0 HKABRN Brc1ccc2nc(-c3ccc(I)cc3)sc2c1 ZINC000073638913 518218748 /nfs/dbraw/zinc/21/87/48/518218748.db2.gz OFFIXJFQJZXOQX-UHFFFAOYSA-N 0 0 416.081 5.330 40 0 HKABRN Brc1cc(-c2ccccc2)cc2nc(-c3cccc4ccccc43)oc21 ZINC000073639153 558849807 /nfs/dbraw/zinc/84/98/07/558849807.db2.gz MPCBWDXUNQTRRJ-UHFFFAOYSA-N 0 0 400.275 7.078 40 0 HKABRN Cc1cc2nc(-c3cccc4c(Br)cccc34)oc2c(Br)c1 ZINC000073639156 558849781 /nfs/dbraw/zinc/84/97/81/558849781.db2.gz VLIONNLTNKUHIX-UHFFFAOYSA-N 0 0 417.100 6.481 40 0 HKABRN Brc1cc(-c2ccccc2)cc2nc(-c3ccc4ccccc4c3)oc21 ZINC000073639219 518207060 /nfs/dbraw/zinc/20/70/60/518207060.db2.gz LOUQDPSOKGNDEC-UHFFFAOYSA-N 0 0 400.275 7.078 40 0 HKABRN CC(C)c1cc2nc(-c3ccc(N)cc3Br)oc2c(Br)c1 ZINC000073639329 558849805 /nfs/dbraw/zinc/84/98/05/558849805.db2.gz YTMKWBMBTMVCHP-UHFFFAOYSA-N 0 0 410.109 5.725 40 0 HKABRN Cc1c2oc(-c3ccc(C(C)C)cc3)nc2c(Br)c(N)c1Br ZINC000073639351 558849847 /nfs/dbraw/zinc/84/98/47/558849847.db2.gz IDYANYVOQXQZRU-UHFFFAOYSA-N 0 0 424.136 6.034 40 0 HKABRN CCc1ccc(-c2nc3c(o2)c(C)c(Br)c(N)c3Br)cc1 ZINC000073639353 558849800 /nfs/dbraw/zinc/84/98/00/558849800.db2.gz NNSJXMKJOHDNTG-UHFFFAOYSA-N 0 0 410.109 5.473 40 0 HKABRN Cc1ccc(-c2nc3c(o2)c(C)c(Br)c(N)c3Br)cc1C ZINC000073639375 525820123 /nfs/dbraw/zinc/82/01/23/525820123.db2.gz DKEJGXUXNNZOBG-UHFFFAOYSA-N 0 0 410.109 5.527 40 0 HKABRN Cc1ccc(-c2nc3c(o2)c(C)c(Br)c(N)c3Br)c(C)c1 ZINC000073639377 558849794 /nfs/dbraw/zinc/84/97/94/558849794.db2.gz NOYVUGZETIADHS-UHFFFAOYSA-N 0 0 410.109 5.527 40 0 HKABRN Cc1cc(C)cc(-c2nc3c(o2)c(C)c(Br)c(N)c3Br)c1 ZINC000073639380 524354171 /nfs/dbraw/zinc/35/41/71/524354171.db2.gz MAAJDXIXTILRAM-UHFFFAOYSA-N 0 0 410.109 5.527 40 0 HKABRN Cc1cc(-n2cnnc2)cc2nc(-c3cccc4c(Br)cccc34)oc21 ZINC000073639414 526080220 /nfs/dbraw/zinc/08/02/20/526080220.db2.gz IKCQMOWLRQYEAY-UHFFFAOYSA-N 0 0 405.255 5.300 40 0 HKABRN Cc1c2oc(-c3ccccc3F)nc2c(Br)c(N)c1Br ZINC000073639504 558849803 /nfs/dbraw/zinc/84/98/03/558849803.db2.gz TZGXYXCUUUPRLB-UHFFFAOYSA-N 0 0 400.045 5.050 40 0 HKABRN Cc1c2oc(-c3cccc(Cl)c3)nc2c(Br)c(N)c1Br ZINC000073639508 558849864 /nfs/dbraw/zinc/84/98/64/558849864.db2.gz BAHZANLSBVNOIC-UHFFFAOYSA-N 0 0 416.500 5.564 40 0 HKABRN Cc1c2oc(-c3cccc(F)c3)nc2c(Br)c(N)c1Br ZINC000073639511 525997934 /nfs/dbraw/zinc/99/79/34/525997934.db2.gz KCVRLQRZLSVCHD-UHFFFAOYSA-N 0 0 400.045 5.050 40 0 HKABRN Cc1c2oc(-c3ccc(Cl)cc3)nc2c(Br)c(N)c1Br ZINC000073639519 558849316 /nfs/dbraw/zinc/84/93/16/558849316.db2.gz UQQFUWOZMACDIW-UHFFFAOYSA-N 0 0 416.500 5.564 40 0 HKABRN Cc1c2oc(-c3ccc(F)cc3)nc2c(Br)c(N)c1Br ZINC000073639521 558849337 /nfs/dbraw/zinc/84/93/37/558849337.db2.gz GQPKGDCWHIKKKL-UHFFFAOYSA-N 0 0 400.045 5.050 40 0 HKABRN CC(C)(C)c1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1 ZINC000073639688 519008568 /nfs/dbraw/zinc/00/85/68/519008568.db2.gz QNWHUEKJYVLKGD-UHFFFAOYSA-N 0 0 406.323 7.222 40 0 HKABRN Cc1ccc(C)c(-c2nc3c(o2)c(C)c(Br)c(N)c3Br)c1 ZINC000073639799 558849470 /nfs/dbraw/zinc/84/94/70/558849470.db2.gz GIZMGNZIGKKHNB-UHFFFAOYSA-N 0 0 410.109 5.527 40 0 HKABRN Clc1ccc(Cl)c(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c1 ZINC000073639946 558849622 /nfs/dbraw/zinc/84/96/22/558849622.db2.gz MCVDOPSLNNTTKO-UHFFFAOYSA-N 0 0 419.105 7.231 40 0 HKABRN Clc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c(Cl)c1 ZINC000073639952 526935632 /nfs/dbraw/zinc/93/56/32/526935632.db2.gz SGZAMQDXWWAZKX-UHFFFAOYSA-N 0 0 419.105 7.231 40 0 HKABRN Clc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1Cl ZINC000073639975 558849626 /nfs/dbraw/zinc/84/96/26/558849626.db2.gz BKSKDBZIWJBVGW-UHFFFAOYSA-N 0 0 419.105 7.231 40 0 HKABRN Nc1c(Br)cc2nc(-c3ccc4ccccc4c3)oc2c1Br ZINC000073640039 527424677 /nfs/dbraw/zinc/42/46/77/527424677.db2.gz VIQVXTNWUABCGC-UHFFFAOYSA-N 0 0 418.088 5.755 40 0 HKABRN Nc1c(Br)cc2nc(-c3ccccc3Cl)oc2c1Br ZINC000073640063 558849630 /nfs/dbraw/zinc/84/96/30/558849630.db2.gz LMUNHCIOICWFGF-UHFFFAOYSA-N 0 0 402.473 5.255 40 0 HKABRN CCc1c2oc(-c3ccccc3C)nc2c(Br)c(N)c1Br ZINC000073642703 558850561 /nfs/dbraw/zinc/85/05/61/558850561.db2.gz YMOFLMSRLSALTI-UHFFFAOYSA-N 0 0 410.109 5.473 40 0 HKABRN CCc1c2oc(-c3cccc(C)c3)nc2c(Br)c(N)c1Br ZINC000073642706 523732214 /nfs/dbraw/zinc/73/22/14/523732214.db2.gz OGLVBCDBOXXXRZ-UHFFFAOYSA-N 0 0 410.109 5.473 40 0 HKABRN CCc1c2oc(-c3ccc(C)cc3)nc2c(Br)c(N)c1Br ZINC000073642707 558850489 /nfs/dbraw/zinc/85/04/89/558850489.db2.gz HXAVQOMINAZTMA-UHFFFAOYSA-N 0 0 410.109 5.473 40 0 HKABRN CCc1ccc(-c2nc3c(o2)c(CC)c(Br)c(N)c3Br)cc1 ZINC000073642715 523861371 /nfs/dbraw/zinc/86/13/71/523861371.db2.gz MIJMYIACDQLWII-UHFFFAOYSA-N 0 0 424.136 5.727 40 0 HKABRN CCc1c2oc(-c3ccc(F)cc3)nc2c(Br)c(N)c1Br ZINC000073642722 558850427 /nfs/dbraw/zinc/85/04/27/558850427.db2.gz PREYLRQOVATSSX-UHFFFAOYSA-N 0 0 414.072 5.304 40 0 HKABRN CCc1c2oc(-c3cccc(F)c3)nc2c(Br)c(N)c1Br ZINC000073642730 523730988 /nfs/dbraw/zinc/73/09/88/523730988.db2.gz LDDZLRHCWGJOOT-UHFFFAOYSA-N 0 0 414.072 5.304 40 0 HKABRN CCc1c2oc(-c3ccccc3F)nc2c(Br)c(N)c1Br ZINC000073642732 558850563 /nfs/dbraw/zinc/85/05/63/558850563.db2.gz NNPSFTADJSJTFQ-UHFFFAOYSA-N 0 0 414.072 5.304 40 0 HKABRN CCc1c2oc(Cc3ccccc3)nc2c(Br)c(N)c1Br ZINC000073642761 558850478 /nfs/dbraw/zinc/85/04/78/558850478.db2.gz VMYWQSINHGHPBR-UHFFFAOYSA-N 0 0 410.109 5.088 40 0 HKABRN Oc1ccc(Cl)cc1-c1ccnn1C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000075629675 526347343 /nfs/dbraw/zinc/34/73/43/526347343.db2.gz MAOKFVDWJYFJAC-UHFFFAOYSA-N 0 0 415.924 5.555 40 0 HKABRN ClC(Cl)(Cl)c1nc(/C=C\c2ccco2)nc(C(Cl)(Cl)Cl)n1 ZINC000077054724 526924445 /nfs/dbraw/zinc/92/44/45/526924445.db2.gz PNDRGJCVJPHPOZ-ARJAWSKDSA-N 0 0 407.899 5.288 40 0 HKABRN C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C=CC21OCCO1 ZINC000077272704 568924108 /nfs/dbraw/zinc/92/41/08/568924108.db2.gz BSIINGMJTPRWBF-XPGKHFPBSA-N 0 0 402.534 5.641 40 0 in-vitro HKABRN C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1CCC21OCCO1 ZINC000077272727 568924104 /nfs/dbraw/zinc/92/41/04/568924104.db2.gz OAPZVJZTHJRGNF-XPGKHFPBSA-N 0 0 404.550 5.865 40 0 in-vitro HKABRN CC(C)c1cc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc(C(C)C)c1 ZINC000077273532 568924262 /nfs/dbraw/zinc/92/42/62/568924262.db2.gz PYIXRBAUGAEEEW-UHFFFAOYSA-N 0 0 410.450 7.578 40 0 in-vitro HKABRN COc1ccc(C(C(=O)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000077273560 568924251 /nfs/dbraw/zinc/92/42/51/568924251.db2.gz RYJABGGDHWJYNO-UHFFFAOYSA-N 0 0 408.497 5.921 40 0 in-vitro HKABRN O=C1NC(=O)C(=Cc2ccc(OCCC3CCCCC3)c(Br)c2)S1 ZINC000077273786 569391282 /nfs/dbraw/zinc/39/12/82/569391282.db2.gz NNJXJDRXWLCJSS-LFIBNONCSA-N 0 0 410.333 5.122 40 0 in-vitro HKABRN CC(C)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000077291900 569391297 /nfs/dbraw/zinc/39/12/97/569391297.db2.gz ISBSSBGEYIBVTO-OFCXPOQJSA-N 0 0 418.662 5.474 40 0 in-vitro HKABRN O=C(Nc1ccc(F)cc1)[C@@H]1CC[C@@H](c2ccc(F)cc2)O[C@H]1c1ccc(O)cc1 ZINC000077292482 569283708 /nfs/dbraw/zinc/28/37/08/569283708.db2.gz IBDXWUJVRNPFPE-VJBWXMMDSA-N 0 0 409.432 5.518 40 0 in-vitro HKABRN OCC/C(=C(/c1ccc(O)cc1)c1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000077300807 568923965 /nfs/dbraw/zinc/92/39/65/568923965.db2.gz LDABRHPGZLGNTB-ZQHSETAFSA-N 0 0 422.524 6.313 40 0 in-vitro HKABRN COc1ccc2c(c1)CN(C(=O)CCC1CCC(Cc3ccccc3)CC1)CCS2 ZINC000077301564 568923907 /nfs/dbraw/zinc/92/39/07/568923907.db2.gz WERARKTYJZLEHX-UHFFFAOYSA-N 0 0 423.622 5.959 40 0 in-vitro HKABRN CC(C)=CCC/C(C)=C/CC/C(C)=C\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 ZINC000077922774 569392956 /nfs/dbraw/zinc/39/29/56/569392956.db2.gz FGYKUFVNYVMTAM-WLJDUOTLSA-N 0 0 410.642 8.292 40 0 HKABRN CC(C)=CCC/C(C)=C\CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 ZINC000077922775 569392933 /nfs/dbraw/zinc/39/29/33/569392933.db2.gz FGYKUFVNYVMTAM-XBKCXTRYSA-N 0 0 410.642 8.292 40 0 HKABRN CC(C)=CCC/C(C)=C\CC/C(C)=C\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 ZINC000077922777 569392864 /nfs/dbraw/zinc/39/28/64/569392864.db2.gz FGYKUFVNYVMTAM-YMCDKREISA-N 0 0 410.642 8.292 40 0 HKABRN COc1ccc(-c2nc(Cl)cc(-c3ccc(Br)cc3)n2)cc1OC ZINC000078401303 559012303 /nfs/dbraw/zinc/01/23/03/559012303.db2.gz RKTMZKDSSLSRHQ-UHFFFAOYSA-N 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559036626 /nfs/dbraw/zinc/03/66/26/559036626.db2.gz MGMBQRLLFVMHSX-HSZRJFAPSA-N 0 0 419.569 5.586 40 0 HKABRN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1cccc(C)c1C ZINC000082086489 559036828 /nfs/dbraw/zinc/03/68/28/559036828.db2.gz MGMBQRLLFVMHSX-QHCPKHFHSA-N 0 0 419.569 5.586 40 0 HKABRN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCOc1cc(C)ccc1C(C)C ZINC000082086498 559036806 /nfs/dbraw/zinc/03/68/06/559036806.db2.gz YHIRPLDJKRCNFV-QHCPKHFHSA-N 0 0 405.542 5.231 40 0 HKABRN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCOc1cc(C)ccc1C(C)C ZINC000082086499 559036801 /nfs/dbraw/zinc/03/68/01/559036801.db2.gz YHIRPLDJKRCNFV-HSZRJFAPSA-N 0 0 405.542 5.231 40 0 HKABRN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1ccc(Cl)c(C)c1 ZINC000082086735 559036753 /nfs/dbraw/zinc/03/67/53/559036753.db2.gz SNWINJZIEKTJDK-QFIPXVFZSA-N 0 0 411.933 5.151 40 0 HKABRN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1ccc(Cl)c(C)c1 ZINC000082086737 559036827 /nfs/dbraw/zinc/03/68/27/559036827.db2.gz SNWINJZIEKTJDK-JOCHJYFZSA-N 0 0 411.933 5.151 40 0 HKABRN CC(C)(C)c1ccc(OCc2nc3ccccc3n2C[C@@H]2CC2(Cl)Cl)cc1 ZINC000082086785 559036796 /nfs/dbraw/zinc/03/67/96/559036796.db2.gz NBIFWXHVYFRWHY-INIZCTEOSA-N 0 0 403.353 6.107 40 0 HKABRN CC(C)(C)c1ccc(OCc2nc3ccccc3n2C[C@H]2CC2(Cl)Cl)cc1 ZINC000082086786 559036811 /nfs/dbraw/zinc/03/68/11/559036811.db2.gz NBIFWXHVYFRWHY-MRXNPFEDSA-N 0 0 403.353 6.107 40 0 HKABRN CC(C)n1c2ccc(Cl)cc2nc1CCc1nc2cc(Cl)ccc2n1C(C)C ZINC000082086822 559036812 /nfs/dbraw/zinc/03/68/12/559036812.db2.gz WGCLZGVYZYUSNP-UHFFFAOYSA-N 0 0 415.368 6.640 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000082194027 558827725 /nfs/dbraw/zinc/82/77/25/558827725.db2.gz NWQBDOPDVUJEGJ-ZEQHCUNVSA-N 0 0 404.679 6.439 40 0 HKABRN CC(C)CCC(=O)[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 ZINC000083260678 559051822 /nfs/dbraw/zinc/05/18/22/559051822.db2.gz ZJIBAMHOAQWYSE-HCWIWGAASA-N 0 0 400.647 6.568 40 0 HKABRN CC(C)CCC[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 ZINC000083260717 559051775 /nfs/dbraw/zinc/05/17/75/559051775.db2.gz PMWTYEQRXYIMND-YHMDZATGSA-N 0 0 404.679 6.439 40 0 HKABRN O=C(Nc1ccc(F)cc1)N1CCc2ccccc2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000084670218 559054891 /nfs/dbraw/zinc/05/48/91/559054891.db2.gz ADCDUDFEGFKKQH-OAQYLSRUSA-N 0 0 414.402 6.024 40 0 in-vitro HKABRN O=C(Nc1ccc(Cl)cc1)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 ZINC000084723666 558838483 /nfs/dbraw/zinc/83/84/83/558838483.db2.gz CXOKUHSDIISOGV-QFIPXVFZSA-N 0 0 420.896 5.042 40 0 HKABRN O=C(Nc1ccc(F)cc1)N1CCc2ccccc2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000084758320 559055632 /nfs/dbraw/zinc/05/56/32/559055632.db2.gz ADCDUDFEGFKKQH-NRFANRHFSA-N 0 0 414.402 6.024 40 0 in-vitro HKABRN Cc1cc2[nH]c(-c3ccc(-c4ccc(Br)cc4Cl)o3)nc2c(C)c1 ZINC000085345367 569271144 /nfs/dbraw/zinc/27/11/44/569271144.db2.gz VUPVGOLPGOHTGH-UHFFFAOYSA-N 0 0 401.691 6.523 40 0 HKABRN Clc1ccc2[nH]c(-c3ccc(-c4ccc(Br)cc4Cl)o3)nc2c1 ZINC000085345374 569271186 /nfs/dbraw/zinc/27/11/86/569271186.db2.gz YGOAITDQBPDGNC-UHFFFAOYSA-N 0 0 408.082 6.559 40 0 HKABRN Clc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4Br)o3)nc2c1 ZINC000085345378 569271203 /nfs/dbraw/zinc/27/12/03/569271203.db2.gz HZHQGDOQHCHEHQ-UHFFFAOYSA-N 0 0 408.082 6.559 40 0 HKABRN Cc1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4Br)o3)nc2c(C)c1 ZINC000085345394 569271168 /nfs/dbraw/zinc/27/11/68/569271168.db2.gz MVPDFZBGAVSWHJ-UHFFFAOYSA-N 0 0 401.691 6.523 40 0 HKABRN O=C(/C=C/c1ccc(OCc2ccc(Br)cc2)cc1)Oc1ccccc1 ZINC000085397250 559171543 /nfs/dbraw/zinc/17/15/43/559171543.db2.gz WETRTRKODYTWQP-XNTDXEJSSA-N 0 0 409.279 5.647 40 0 HKABRN CC(C)(C)c1ccc(Oc2cc(Br)c(N=O)c(Br)c2)cc1 ZINC000085409593 559056722 /nfs/dbraw/zinc/05/67/22/559056722.db2.gz LAKPZLKGSVCHKP-UHFFFAOYSA-N 0 0 413.109 6.699 40 0 HKABRN C[C@H]1C[C@H](OC(=O)c2ccccc2C(=O)O[C@H]2C[C@H](C)CC(C)(C)C2)CC(C)(C)C1 ZINC000085479203 559057049 /nfs/dbraw/zinc/05/70/49/559057049.db2.gz ATHBXDPWCKSOLE-MUGJNUQGSA-N 0 0 414.586 6.430 40 0 HKABRN CC[C@H](/C=C/[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)C(C)C ZINC000085646178 290702107 /nfs/dbraw/zinc/70/21/07/290702107.db2.gz HCXVJBMSMIARIN-VFTKIANXSA-N 0 0 412.702 7.801 40 0 biogenic,in-vitro HKABRN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCC(=O)O[C@H](c1ccccc1)[C@H](C)c1ccccc1 ZINC000086053376 558851921 /nfs/dbraw/zinc/85/19/21/558851921.db2.gz YPMQXOFDCXSPCT-XWSMLBJQSA-N 0 0 408.582 6.552 40 0 HKABRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)O[C@H](c1ccccc1)[C@H](C)c1ccccc1 ZINC000086053377 558851916 /nfs/dbraw/zinc/85/19/16/558851916.db2.gz YPMQXOFDCXSPCT-CUHINBDFSA-N 0 0 408.582 6.552 40 0 HKABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OCC(=O)O[C@H](c1ccccc1)[C@H](C)c1ccccc1 ZINC000086053378 558851906 /nfs/dbraw/zinc/85/19/06/558851906.db2.gz YPMQXOFDCXSPCT-ITMLTHPUSA-N 0 0 408.582 6.552 40 0 HKABRN CCCCCn1cc(C(=O)c2ccccc2I)c2ccccc21 ZINC000087493313 557842450 /nfs/dbraw/zinc/84/24/50/557842450.db2.gz GAJBHYUAJOTAEW-UHFFFAOYSA-N 0 0 417.290 5.667 40 0 in-vitro HKABRN CC(=O)Oc1c(C)cc(C)cc1CN(C)Cc1cc(Cl)cc(Cl)c1OC(C)=O ZINC000090367255 559068423 /nfs/dbraw/zinc/06/84/23/559068423.db2.gz YNWBLNJCCJYDRA-UHFFFAOYSA-N 0 0 424.324 5.093 40 0 HKABRN CC(C)(C)OC(=O)N1CCC[C@H](Nc2nc3ccccc3n2Cc2ccc(F)cc2)C1 ZINC000090558317 559068797 /nfs/dbraw/zinc/06/87/97/559068797.db2.gz DOTWOTWDKIYEPT-IBGZPJMESA-N 0 0 424.520 5.035 40 0 HKABRN CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nc3ccccc3n2Cc2ccc(F)cc2)C1 ZINC000090558318 559068778 /nfs/dbraw/zinc/06/87/78/559068778.db2.gz DOTWOTWDKIYEPT-LJQANCHMSA-N 0 0 424.520 5.035 40 0 HKABRN CC(C)(C)OC(=O)N1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000090558319 559068787 /nfs/dbraw/zinc/06/87/87/559068787.db2.gz LOFWFAVUZLJDCQ-UHFFFAOYSA-N 0 0 424.520 5.035 40 0 HKABRN c1ccc(CN2COc3ccc4c(ccc5c4CN(Cc4ccccc4)CO5)c3C2)cc1 ZINC000090751661 559069228 /nfs/dbraw/zinc/06/92/28/559069228.db2.gz ZQMYHQFLCMONLU-UHFFFAOYSA-N 0 0 422.528 5.544 40 0 HKABRN c1ccc(CN2COc3c(ccc4c3ccc3c4OCN(Cc4ccccc4)C3)C2)cc1 ZINC000090751664 559069223 /nfs/dbraw/zinc/06/92/23/559069223.db2.gz WPCIJWIOBUMZMG-UHFFFAOYSA-N 0 0 422.528 5.544 40 0 in-vitro HKABRN Cc1ccc(Cn2c3ccccc3nc2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000091365959 558890468 /nfs/dbraw/zinc/89/04/68/558890468.db2.gz LFUIBLXARIQAOO-UHFFFAOYSA-N 0 0 405.542 5.508 40 0 HKABRN CCOc1cc(C=O)c(Br)cc1OCc1c(Cl)cccc1Cl ZINC000095094991 560781954 /nfs/dbraw/zinc/78/19/54/560781954.db2.gz HMKVWFUHLOCJSG-UHFFFAOYSA-N 0 0 404.087 5.546 40 0 HKABRN CCOc1cc(CO)c(Br)cc1OCc1c(Cl)cccc1Cl ZINC000095095071 568595408 /nfs/dbraw/zinc/59/54/08/568595408.db2.gz RSBPQQCBIUUWLT-UHFFFAOYSA-N 0 0 406.103 5.226 40 0 HKABRN CCOc1cc(CO)cc(Br)c1OCc1c(Cl)cccc1Cl ZINC000095095224 560785562 /nfs/dbraw/zinc/78/55/62/560785562.db2.gz CEEXFLOVYISSPP-UHFFFAOYSA-N 0 0 406.103 5.226 40 0 HKABRN CCCCCn1cc(C(=O)c2cccc3cccc(Br)c32)c2ccccc21 ZINC000095215388 568597611 /nfs/dbraw/zinc/59/76/11/568597611.db2.gz QXZYVJRMQVOOEQ-UHFFFAOYSA-N 0 0 420.350 6.978 40 0 in-vitro HKABRN CCOc1cccc(Br)c1-c1c(Br)cccc1OCC ZINC000095486390 559081364 /nfs/dbraw/zinc/08/13/64/559081364.db2.gz PEEQILYTUUHYGL-UHFFFAOYSA-N 0 0 400.110 5.676 40 0 HKABRN CCCCCn1cc(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21 ZINC000095561045 568638300 /nfs/dbraw/zinc/63/83/00/568638300.db2.gz GRWSWDKSCZKGSY-UHFFFAOYSA-N 0 0 420.350 6.978 40 0 in-vitro HKABRN O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000095562157 568719903 /nfs/dbraw/zinc/71/99/03/568719903.db2.gz YAANMNCTAYZJFO-UHFFFAOYSA-N 0 0 400.217 5.612 40 0 HKABRN CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1OC(F)(F)F ZINC000095611621 559087512 /nfs/dbraw/zinc/08/75/12/559087512.db2.gz HENPOTWGRDPWQZ-MRXNPFEDSA-N 0 0 417.811 5.667 40 0 HKABRN CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1OC(F)(F)F ZINC000095611622 559087505 /nfs/dbraw/zinc/08/75/05/559087505.db2.gz HENPOTWGRDPWQZ-INIZCTEOSA-N 0 0 417.811 5.667 40 0 HKABRN CC1(C)OC(C)(C)c2cccc(Br)c2-c2c(Br)cccc21 ZINC000095611688 559087493 /nfs/dbraw/zinc/08/74/93/559087493.db2.gz QDQODMPWHQBKSQ-UHFFFAOYSA-N 0 0 410.149 6.379 40 0 HKABRN CCCCCn1ccc(C(=O)c2cccc3ccccc32)c1-c1cccc2ccccc21 ZINC000095705035 568644346 /nfs/dbraw/zinc/64/43/46/568644346.db2.gz AZMVCVZHAUGHHL-UHFFFAOYSA-N 0 0 417.552 7.883 40 0 in-vitro HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C ZINC000095818294 559088557 /nfs/dbraw/zinc/08/85/57/559088557.db2.gz PRYIJAGAEJZDBO-BZYDGCPMSA-N 0 0 402.663 6.600 40 0 HKABRN COC(=O)CC[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 ZINC000095868329 559088695 /nfs/dbraw/zinc/08/86/95/559088695.db2.gz BWGTUWMWTXVUDK-LXVLQKCJSA-N 0 0 402.619 6.170 40 0 HKABRN CCOc1cc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)cc(OCC)c1OCC ZINC000095870111 559088710 /nfs/dbraw/zinc/08/87/10/559088710.db2.gz FUBBQGNDUXDJRL-UHFFFAOYSA-N 0 0 415.574 5.219 40 0 HKABRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000095871199 569067668 /nfs/dbraw/zinc/06/76/68/569067668.db2.gz BVVFRHKBULZQCQ-KWMXJCMHSA-N 0 0 414.718 8.313 40 0 HKABRN C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nc(C2CCCCC2)cs1 ZINC000095883178 559088774 /nfs/dbraw/zinc/08/87/74/559088774.db2.gz SWLNWBZNEGVJPX-HNNXBMFYSA-N 0 0 413.587 5.245 40 0 HKABRN C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nc(C2CCCCC2)cs1 ZINC000095883179 559088744 /nfs/dbraw/zinc/08/87/44/559088744.db2.gz SWLNWBZNEGVJPX-OAHLLOKOSA-N 0 0 413.587 5.245 40 0 HKABRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000095933386 559089193 /nfs/dbraw/zinc/08/91/93/559089193.db2.gz FNKOKHZCQSJJOQ-KFALDFEMSA-N 0 0 424.713 8.089 40 0 HKABRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000095933387 559089189 /nfs/dbraw/zinc/08/91/89/559089189.db2.gz FNKOKHZCQSJJOQ-NNZXDZRQSA-N 0 0 424.713 8.089 40 0 HKABRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000095933388 559089215 /nfs/dbraw/zinc/08/92/15/559089215.db2.gz FNKOKHZCQSJJOQ-AZHKRFGASA-N 0 0 424.713 8.089 40 0 HKABRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000095933389 559089212 /nfs/dbraw/zinc/08/92/12/559089212.db2.gz FNKOKHZCQSJJOQ-XQCMKDIZSA-N 0 0 424.713 8.089 40 0 HKABRN CCOC(=O)c1ccc(-c2ccccc2)nc1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095949917 559089333 /nfs/dbraw/zinc/08/93/33/559089333.db2.gz FERUZEZWDCFNDE-UHFFFAOYSA-N 0 0 410.514 5.040 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096023507 559089724 /nfs/dbraw/zinc/08/97/24/559089724.db2.gz JQMQKOQOLPGBBE-QWKSJQDTSA-N 0 0 402.663 6.648 40 0 in-vitro HKABRN Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C)n2-c2ncccn2)cc1Cl ZINC000096037289 559091056 /nfs/dbraw/zinc/09/10/56/559091056.db2.gz UBGCBDKMPOANBM-UHFFFAOYSA-N 0 0 415.884 5.126 40 0 HKABRN CCN(Cc1ccccc1)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1CCOC ZINC000096037304 559091062 /nfs/dbraw/zinc/09/10/62/559091062.db2.gz FPPDYHRBINEYHD-UHFFFAOYSA-N 0 0 417.553 5.486 40 0 HKABRN CCc1ccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2CCOC)cc1 ZINC000096037311 559091025 /nfs/dbraw/zinc/09/10/25/559091025.db2.gz YZXILOYXTUCXKM-UHFFFAOYSA-N 0 0 403.526 5.638 40 0 HKABRN COCCn1c(C(=O)Nc2cc(C)ccc2C)cc2c1c1ccccc1n2C(C)C ZINC000096037313 559091023 /nfs/dbraw/zinc/09/10/23/559091023.db2.gz NOAHMXMQXARUDK-UHFFFAOYSA-N 0 0 403.526 5.692 40 0 HKABRN COCCn1c(C(=O)Nc2cccc(C)c2C)cc2c1c1ccccc1n2C(C)C ZINC000096037314 559091018 /nfs/dbraw/zinc/09/10/18/559091018.db2.gz ZMOZNCSNULDXQM-UHFFFAOYSA-N 0 0 403.526 5.692 40 0 HKABRN COCCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c1c1ccccc1n2C(C)C ZINC000096037315 559091071 /nfs/dbraw/zinc/09/10/71/559091071.db2.gz OCOOTHNXMNCMRL-UHFFFAOYSA-N 0 0 403.526 5.692 40 0 HKABRN COCCn1c(C(=O)NCc2ccc(Cl)cc2)cc2c1c1ccccc1n2C(C)C ZINC000096037317 559091058 /nfs/dbraw/zinc/09/10/58/559091058.db2.gz COHVZGXUUCWMQJ-UHFFFAOYSA-N 0 0 423.944 5.407 40 0 HKABRN COCCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c1c1ccccc1n2C(C)C ZINC000096037318 559091042 /nfs/dbraw/zinc/09/10/42/559091042.db2.gz XADMJBAIUGJNQI-UHFFFAOYSA-N 0 0 407.489 5.523 40 0 HKABRN COCCn1c(C(=O)Nc2ccc(C)cc2F)cc2c1c1ccccc1n2C(C)C ZINC000096037319 559091027 /nfs/dbraw/zinc/09/10/27/559091027.db2.gz ZYWXCDPQMKSRRJ-UHFFFAOYSA-N 0 0 407.489 5.523 40 0 HKABRN COCCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c1c1ccccc1n2C(C)C ZINC000096037321 559091083 /nfs/dbraw/zinc/09/10/83/559091083.db2.gz BLXCZSWGOGWSQT-UHFFFAOYSA-N 0 0 423.944 6.037 40 0 HKABRN Cc1cccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C(=O)N(C)C)c1 ZINC000096037364 559091166 /nfs/dbraw/zinc/09/11/66/559091166.db2.gz VPZVEPMSNKMCCZ-UHFFFAOYSA-N 0 0 402.498 5.267 40 0 HKABRN CC(C)n1c2cc(C(=O)Nc3ccc(F)cc3)n(C(=O)N(C)C)c2c2ccccc21 ZINC000096037365 559091137 /nfs/dbraw/zinc/09/11/37/559091137.db2.gz YKPAAJSLQKAOTC-UHFFFAOYSA-N 0 0 406.461 5.098 40 0 HKABRN CC(C)n1c2cc(C(=O)Nc3cccc(Cl)c3)n(C(=O)N(C)C)c2c2ccccc21 ZINC000096037366 559091159 /nfs/dbraw/zinc/09/11/59/559091159.db2.gz SBXMVSUBAYGQQV-UHFFFAOYSA-N 0 0 422.916 5.612 40 0 HKABRN Cc1ccccc1NC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C(=O)N(C)C ZINC000096037369 559091139 /nfs/dbraw/zinc/09/11/39/559091139.db2.gz KBZYOSRIQAGDNU-UHFFFAOYSA-N 0 0 402.498 5.267 40 0 HKABRN CCc1ccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C(=O)N(C)C)cc1 ZINC000096037370 559091138 /nfs/dbraw/zinc/09/11/38/559091138.db2.gz UZERCXMEDPEEMS-UHFFFAOYSA-N 0 0 416.525 5.521 40 0 HKABRN Cc1cccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C(=O)N(C)C)c1C ZINC000096037373 559091153 /nfs/dbraw/zinc/09/11/53/559091153.db2.gz WFJWCXJOFAPZPJ-UHFFFAOYSA-N 0 0 416.525 5.576 40 0 HKABRN Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C(=O)N(C)C)cc1C ZINC000096037374 559091142 /nfs/dbraw/zinc/09/11/42/559091142.db2.gz DBZDNZZCCPRXKH-UHFFFAOYSA-N 0 0 416.525 5.576 40 0 HKABRN Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C(=O)N(C)C)cc1F ZINC000096037377 559091160 /nfs/dbraw/zinc/09/11/60/559091160.db2.gz TXFMXWRWBNOLCX-UHFFFAOYSA-N 0 0 420.488 5.406 40 0 HKABRN Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C(=O)N(C)C)c(F)c1 ZINC000096037378 559091155 /nfs/dbraw/zinc/09/11/55/559091155.db2.gz DQLDXGZRLVTPIS-UHFFFAOYSA-N 0 0 420.488 5.406 40 0 HKABRN CC(C)n1c2cc(C(=O)NC3CCCCCC3)n(C(=O)N(C)C)c2c2ccccc21 ZINC000096037391 559091150 /nfs/dbraw/zinc/09/11/50/559091150.db2.gz ZYURGZCHNWRDFA-UHFFFAOYSA-N 0 0 408.546 5.159 40 0 HKABRN CC(C)n1c2cc(C(=O)NC3CCCCCC3)n(-c3ncccn3)c2c2ccccc21 ZINC000096037401 559091156 /nfs/dbraw/zinc/09/11/56/559091156.db2.gz MZCOHPDJIYGZDU-UHFFFAOYSA-N 0 0 415.541 5.409 40 0 HKABRN CCCCN(CC)C(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 ZINC000096037445 559091147 /nfs/dbraw/zinc/09/11/47/559091147.db2.gz SFIHIFHMHAXPGN-UHFFFAOYSA-N 0 0 415.541 5.047 40 0 HKABRN Cc1ccc(NC(=O)[C@@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)cc1Cl ZINC000096037518 559091270 /nfs/dbraw/zinc/09/12/70/559091270.db2.gz SMJXCJMQMMITMZ-QHCPKHFHSA-N 0 0 422.960 5.164 40 0 HKABRN Cc1ccc(NC(=O)[C@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)cc1Cl ZINC000096037519 559091248 /nfs/dbraw/zinc/09/12/48/559091248.db2.gz SMJXCJMQMMITMZ-HSZRJFAPSA-N 0 0 422.960 5.164 40 0 HKABRN Cn1cc(-c2cnc(Nc3ccccc3)nc2)cc1C(=O)Nc1cccc(Cl)c1 ZINC000096037591 559091405 /nfs/dbraw/zinc/09/14/05/559091405.db2.gz QRIOCYPXNPJXLB-UHFFFAOYSA-N 0 0 403.873 5.131 40 0 HKABRN Cc1ccc(NC(=O)c2cc(-c3cnc(Nc4ccccc4)nc3)cn2C)cc1Cl ZINC000096037601 559091414 /nfs/dbraw/zinc/09/14/14/559091414.db2.gz FZQMNDWFKIQVDL-UHFFFAOYSA-N 0 0 417.900 5.440 40 0 HKABRN O=C(NCc1cccs1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 ZINC000096037730 559091463 /nfs/dbraw/zinc/09/14/63/559091463.db2.gz MFUUMZPFWYDDHY-UHFFFAOYSA-N 0 0 414.534 5.014 40 0 HKABRN Cc1cccc(NC(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)c1 ZINC000096037733 559091460 /nfs/dbraw/zinc/09/14/60/559091460.db2.gz UDBRWKBWBQUBCC-UHFFFAOYSA-N 0 0 408.505 5.583 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 ZINC000096037734 559091456 /nfs/dbraw/zinc/09/14/56/559091456.db2.gz LNTGKRWVDYTFRR-UHFFFAOYSA-N 0 0 412.468 5.414 40 0 HKABRN O=C(Nc1cccc(F)c1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 ZINC000096037735 559091432 /nfs/dbraw/zinc/09/14/32/559091432.db2.gz AFODHGMCEPPZLF-UHFFFAOYSA-N 0 0 412.468 5.414 40 0 HKABRN Cc1ccccc1NC(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 ZINC000096037738 559091475 /nfs/dbraw/zinc/09/14/75/559091475.db2.gz HCERATYNBIBRDN-UHFFFAOYSA-N 0 0 408.505 5.583 40 0 HKABRN CCc1ccc(NC(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)cc1 ZINC000096037739 559091543 /nfs/dbraw/zinc/09/15/43/559091543.db2.gz JEYCDPQMSRAHQW-UHFFFAOYSA-N 0 0 422.532 5.837 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)c1 ZINC000096037742 559091570 /nfs/dbraw/zinc/09/15/70/559091570.db2.gz LQMKWFVHVISOIB-UHFFFAOYSA-N 0 0 422.532 5.891 40 0 HKABRN Cc1cccc(NC(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)c1C ZINC000096037743 559091598 /nfs/dbraw/zinc/09/15/98/559091598.db2.gz AJLUALZLAFHXOY-UHFFFAOYSA-N 0 0 422.532 5.891 40 0 HKABRN CCCCN(CC)C(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 ZINC000096037751 559091586 /nfs/dbraw/zinc/09/15/86/559091586.db2.gz FXHQOKJRJWCBMK-UHFFFAOYSA-N 0 0 402.542 5.284 40 0 HKABRN O=C(NC1CCCCCC1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 ZINC000096037758 559091545 /nfs/dbraw/zinc/09/15/45/559091545.db2.gz KWIXYQYBVAUPRE-UHFFFAOYSA-N 0 0 414.553 5.475 40 0 HKABRN CCc1ccc(NC(=O)c2cc(-c3cnc(-c4cccnc4)nc3)cn2CC2CC2)cc1 ZINC000096037773 559091557 /nfs/dbraw/zinc/09/15/57/559091557.db2.gz QJCMZLZCIQGXNX-UHFFFAOYSA-N 0 0 423.520 5.232 40 0 HKABRN Cc1ccc(NC(=O)c2cc(-c3cnc(-c4cccnc4)nc3)cn2CC2CC2)cc1C ZINC000096037776 559091592 /nfs/dbraw/zinc/09/15/92/559091592.db2.gz LDJYBVITDCNPHH-UHFFFAOYSA-N 0 0 423.520 5.286 40 0 HKABRN CCCCN(CC)C(=O)c1ccc2onc(-c3coc(-c4ccc(C)cc4)n3)c2c1 ZINC000096037814 559091584 /nfs/dbraw/zinc/09/15/84/559091584.db2.gz CIFFIWVYNWTQJV-UHFFFAOYSA-N 0 0 403.482 5.720 40 0 HKABRN O=C(NC1CCCCCC1)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1 ZINC000096037830 559091588 /nfs/dbraw/zinc/09/15/88/559091588.db2.gz SOFMNGQFSHMMPJ-UHFFFAOYSA-N 0 0 419.456 5.742 40 0 HKABRN CCCCN(C)C(=O)c1ccc2onc(-c3coc(-c4cccc(OC)c4)n3)c2c1 ZINC000096037836 559091580 /nfs/dbraw/zinc/09/15/80/559091580.db2.gz KFOQQJHSZJGRIO-UHFFFAOYSA-N 0 0 405.454 5.031 40 0 HKABRN Cc1cccc(NC(=O)c2ccc3onc(-c4csc(-c5ccccc5)n4)c3c2)c1 ZINC000096037891 559091637 /nfs/dbraw/zinc/09/16/37/559091637.db2.gz QEBAAGFWXQAJLB-UHFFFAOYSA-N 0 0 411.486 6.179 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 ZINC000096037892 559091655 /nfs/dbraw/zinc/09/16/55/559091655.db2.gz UDGHXJBQNGEGHI-UHFFFAOYSA-N 0 0 415.449 6.010 40 0 HKABRN Cc1ccc(NC(=O)c2ccc3onc(-c4csc(-c5ccccc5)n4)c3c2)cn1 ZINC000096037894 559091648 /nfs/dbraw/zinc/09/16/48/559091648.db2.gz PVKDQHSISSOOLC-UHFFFAOYSA-N 0 0 412.474 5.574 40 0 HKABRN O=C(NCc1ccc(F)c(F)c1)c1cc(-c2ccnn2C2CCCC2)n2ccccc12 ZINC000096037926 559091652 /nfs/dbraw/zinc/09/16/52/559091652.db2.gz HIPVCTQOXUUQOY-UHFFFAOYSA-N 0 0 420.463 5.126 40 0 HKABRN Cc1nc(-c2cc(C(=O)Nc3cccc(C)c3)c3ccccn23)cn1-c1nccs1 ZINC000096037938 559091647 /nfs/dbraw/zinc/09/16/47/559091647.db2.gz HDHSRNFQHJUFFT-UHFFFAOYSA-N 0 0 413.506 5.118 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3cn(Cc4ccccc4)cn3)n3ccccc23)cc1 ZINC000096037940 559091642 /nfs/dbraw/zinc/09/16/42/559091642.db2.gz HEXFULYRNFCPBC-UHFFFAOYSA-N 0 0 421.504 5.061 40 0 HKABRN O=C(Nc1cccc(Cl)c1)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn21 ZINC000096037984 559091641 /nfs/dbraw/zinc/09/16/41/559091641.db2.gz CQOTVSAHSAFBDY-UHFFFAOYSA-N 0 0 413.868 5.093 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2ccnn2-c2ccc3ccc(-c4cccnc4)cn32)c1 ZINC000096037990 559091646 /nfs/dbraw/zinc/09/16/46/559091646.db2.gz SFHPWGRYYGDPIC-UHFFFAOYSA-N 0 0 407.477 5.056 40 0 HKABRN Cc1cccc(NC(=O)c2ccnn2-c2ccc3ccc(-c4cccnc4)cn32)c1C ZINC000096037991 559091653 /nfs/dbraw/zinc/09/16/53/559091653.db2.gz UDWTYQFMGUIMJU-UHFFFAOYSA-N 0 0 407.477 5.056 40 0 HKABRN Cc1ccc(NC(=O)c2ccnn2-c2ccc3ccc(-c4cccnc4)cn32)cc1C ZINC000096037992 559091657 /nfs/dbraw/zinc/09/16/57/559091657.db2.gz CFGGTMOVTVGJKB-UHFFFAOYSA-N 0 0 407.477 5.056 40 0 HKABRN CCN(Cc1ccccc1)C(=O)c1ccn(-c2ccc3ccc(-c4ccccc4)cn32)n1 ZINC000096038055 559091714 /nfs/dbraw/zinc/09/17/14/559091714.db2.gz SXMQSTDZBYAEDO-UHFFFAOYSA-N 0 0 420.516 5.454 40 0 HKABRN CCc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccccc5)cn43)n2)cc1 ZINC000096038060 559091768 /nfs/dbraw/zinc/09/17/68/559091768.db2.gz WOWKUGKHBATOBJ-UHFFFAOYSA-N 0 0 406.489 5.607 40 0 HKABRN O=C(Nc1ccc(F)cc1F)c1ccn(-c2ccc3ccc(-c4ccccc4)cn32)n1 ZINC000096038063 559091749 /nfs/dbraw/zinc/09/17/49/559091749.db2.gz GGJBHOJOVVMVKS-UHFFFAOYSA-N 0 0 414.415 5.323 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2ccn(-c3ccc4ccc(-c5ccccc5)cn43)n2)c1 ZINC000096038064 559091745 /nfs/dbraw/zinc/09/17/45/559091745.db2.gz WUXOAGLNCKWXJX-UHFFFAOYSA-N 0 0 406.489 5.661 40 0 HKABRN Cc1cccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccccc5)cn43)n2)c1C ZINC000096038065 559091740 /nfs/dbraw/zinc/09/17/40/559091740.db2.gz QEFBSQIKOHFHFY-UHFFFAOYSA-N 0 0 406.489 5.661 40 0 HKABRN Cc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccccc5)cn43)n2)cc1C ZINC000096038066 559091730 /nfs/dbraw/zinc/09/17/30/559091730.db2.gz KVZMZUVBZSZWQM-UHFFFAOYSA-N 0 0 406.489 5.661 40 0 HKABRN Cc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccccc5)cn43)n2)cc1F ZINC000096038069 559091757 /nfs/dbraw/zinc/09/17/57/559091757.db2.gz JEFSQIHONPARDS-UHFFFAOYSA-N 0 0 410.452 5.492 40 0 HKABRN O=C(Nc1cc(F)cc(F)c1)c1ccn(-c2ccc3ccc(-c4ccccc4)cn32)n1 ZINC000096038070 559091721 /nfs/dbraw/zinc/09/17/21/559091721.db2.gz IWQLLUTWLYTICS-UHFFFAOYSA-N 0 0 414.415 5.323 40 0 HKABRN Cc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccccc5)cn43)n2)c(F)c1 ZINC000096038071 559091716 /nfs/dbraw/zinc/09/17/16/559091716.db2.gz BOLXESDNNOVOLG-UHFFFAOYSA-N 0 0 410.452 5.492 40 0 HKABRN Cc1cccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccncc5)cn43)n2)c1C ZINC000096038092 559091755 /nfs/dbraw/zinc/09/17/55/559091755.db2.gz CXCPEIUSZAVOSR-UHFFFAOYSA-N 0 0 407.477 5.056 40 0 HKABRN Cc1cccc(NC(=O)c2ccn(-c3ccc4ccc(-c5cccc(F)c5)cn43)n2)c1 ZINC000096038121 559091823 /nfs/dbraw/zinc/09/18/23/559091823.db2.gz YXPZPJUOVZZFIN-UHFFFAOYSA-N 0 0 410.452 5.492 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2ccn(-c3ccc4ccc(-c5cccc(F)c5)cn43)n2)c1 ZINC000096038123 559091820 /nfs/dbraw/zinc/09/18/20/559091820.db2.gz FPRVYPCENMIYPB-UHFFFAOYSA-N 0 0 424.479 5.800 40 0 HKABRN Cc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5cccc(F)c5)cn43)n2)cc1C ZINC000096038124 559091843 /nfs/dbraw/zinc/09/18/43/559091843.db2.gz LEJHUOUHNCCUTJ-UHFFFAOYSA-N 0 0 424.479 5.800 40 0 HKABRN CCCCN(CC)C(=O)c1ccn(-c2ccc3ccc(-c4cccc(F)c4)cn32)n1 ZINC000096038128 559091828 /nfs/dbraw/zinc/09/18/28/559091828.db2.gz WZEVGDRLPSPJML-UHFFFAOYSA-N 0 0 404.489 5.193 40 0 HKABRN Cc1cccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccc(F)cc5)cn43)n2)c1 ZINC000096038136 559091827 /nfs/dbraw/zinc/09/18/27/559091827.db2.gz HJKYGOICYFFHTH-UHFFFAOYSA-N 0 0 410.452 5.492 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn32)n1 ZINC000096038137 559091826 /nfs/dbraw/zinc/09/18/26/559091826.db2.gz XDABQKCWKROMJU-UHFFFAOYSA-N 0 0 414.415 5.323 40 0 HKABRN Cc1ccccc1NC(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn32)n1 ZINC000096038140 559091848 /nfs/dbraw/zinc/09/18/48/559091848.db2.gz QPOICPGUVMSAFJ-UHFFFAOYSA-N 0 0 410.452 5.492 40 0 HKABRN CCc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccc(F)cc5)cn43)n2)cc1 ZINC000096038141 559091849 /nfs/dbraw/zinc/09/18/49/559091849.db2.gz NKOPGMFUILCNLM-UHFFFAOYSA-N 0 0 424.479 5.746 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2ccn(-c3ccc4ccc(-c5ccc(F)cc5)cn43)n2)c1 ZINC000096038145 559091847 /nfs/dbraw/zinc/09/18/47/559091847.db2.gz IKZGJPUGANHGMM-UHFFFAOYSA-N 0 0 424.479 5.800 40 0 HKABRN Cc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccc(F)cc5)cn43)n2)cc1C ZINC000096038146 559091830 /nfs/dbraw/zinc/09/18/30/559091830.db2.gz NWPXWYMFLPWBDV-UHFFFAOYSA-N 0 0 424.479 5.800 40 0 HKABRN CCCCN(CC)C(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn32)n1 ZINC000096038154 559091840 /nfs/dbraw/zinc/09/18/40/559091840.db2.gz RDZYPVKYXVZWLI-UHFFFAOYSA-N 0 0 404.489 5.193 40 0 HKABRN O=C(NC1CCCCCC1)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn32)n1 ZINC000096038161 559091836 /nfs/dbraw/zinc/09/18/36/559091836.db2.gz VWBAOIGVNJEXKE-UHFFFAOYSA-N 0 0 416.500 5.384 40 0 HKABRN CC(C)n1c2cc(C(=O)Nc3cc(F)cc(F)c3)n(C(=O)N(C)C)c2c2ccccc21 ZINC000096062679 559094302 /nfs/dbraw/zinc/09/43/02/559094302.db2.gz DDQSUTJVDHLOLC-UHFFFAOYSA-N 0 0 424.451 5.237 40 0 HKABRN CCCCN(CC)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1-c1ncccn1 ZINC000096062686 559094214 /nfs/dbraw/zinc/09/42/14/559094214.db2.gz ZDTRGSVPZRJSPF-UHFFFAOYSA-N 0 0 403.530 5.218 40 0 HKABRN Cc1cccc(NC(=O)c2cc3c(c4ccccc4n3CC3CC3)n2-c2ncccn2)c1 ZINC000096062689 559094298 /nfs/dbraw/zinc/09/42/98/559094298.db2.gz SZPWCLOZUJBEMN-UHFFFAOYSA-N 0 0 421.504 5.346 40 0 HKABRN Cc1cccc(NC(=O)c2cc(-c3cnc(-c4cccnc4)nc3)cn2CC2CC2)c1C ZINC000096062739 559094232 /nfs/dbraw/zinc/09/42/32/559094232.db2.gz NOQGPKKFBGGYER-UHFFFAOYSA-N 0 0 423.520 5.286 40 0 HKABRN Cc1ccccc1NC(=O)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 ZINC000096062746 559094280 /nfs/dbraw/zinc/09/42/80/559094280.db2.gz KZQRVMYAPTZGRU-UHFFFAOYSA-N 0 0 411.486 6.179 40 0 HKABRN O=C(NC1CCCCCC1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 ZINC000096062748 559094215 /nfs/dbraw/zinc/09/42/15/559094215.db2.gz YXMDZBNZHLKOBW-UHFFFAOYSA-N 0 0 417.534 6.071 40 0 HKABRN O=C(NC1CCCCCC1)c1ccn(-c2ccc3ccc(-c4cccc(F)c4)cn32)n1 ZINC000096062753 559094219 /nfs/dbraw/zinc/09/42/19/559094219.db2.gz JNRQVRVKIOPKSL-UHFFFAOYSA-N 0 0 416.500 5.384 40 0 HKABRN CC(C)(C)c1cc(C(=O)OC2(C)CC(C)(C)N(O)C(C)(C)C2)cc(C(C)(C)C)c1O ZINC000096068505 559094342 /nfs/dbraw/zinc/09/43/42/559094342.db2.gz QNESRSMCRNKKGO-UHFFFAOYSA-N 0 0 419.606 5.945 40 0 HKABRN COCCn1c(C(=O)Nc2cccc(OC)c2)cc2c1c1ccccc1n2C(C)C ZINC000096146367 559097877 /nfs/dbraw/zinc/09/78/77/559097877.db2.gz POEAWSGVENAKKG-UHFFFAOYSA-N 0 0 405.498 5.084 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C(=O)N(C)C)c1 ZINC000096146435 559097841 /nfs/dbraw/zinc/09/78/41/559097841.db2.gz MTBVCXNRQOROEX-UHFFFAOYSA-N 0 0 416.525 5.576 40 0 HKABRN CC(C)n1c2cc(C(=O)Nc3cccc(F)c3)n(C(=O)N(C)C)c2c2ccccc21 ZINC000096146436 559097852 /nfs/dbraw/zinc/09/78/52/559097852.db2.gz IWRFRQJJXBDULX-UHFFFAOYSA-N 0 0 406.461 5.098 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2cc(-c3cnc(-c4cccc(F)c4)nc3)cn2C)c1 ZINC000096147666 559098701 /nfs/dbraw/zinc/09/87/01/559098701.db2.gz LNXNPUZLWCZRPD-UHFFFAOYSA-N 0 0 400.457 5.157 40 0 HKABRN O=C(NCc1ccsc1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 ZINC000096147711 559098699 /nfs/dbraw/zinc/09/86/99/559098699.db2.gz YKQHGPALXJATKF-UHFFFAOYSA-N 0 0 414.534 5.014 40 0 HKABRN COc1cccc(NC(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)c1 ZINC000096147714 559098647 /nfs/dbraw/zinc/09/86/47/559098647.db2.gz OPGQDBNZIHANIY-UHFFFAOYSA-N 0 0 424.504 5.283 40 0 HKABRN O=C(NCc1cccs1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 ZINC000096147751 559098797 /nfs/dbraw/zinc/09/87/97/559098797.db2.gz ANJCQHWJPNADDL-UHFFFAOYSA-N 0 0 401.447 5.141 40 0 HKABRN COc1cccc(NC(=O)c2ccc3onc(-c4coc(-c5ccccc5)n4)c3c2)c1 ZINC000096147760 559098768 /nfs/dbraw/zinc/09/87/68/559098768.db2.gz OSRSJQSFWDHXLH-UHFFFAOYSA-N 0 0 411.417 5.411 40 0 HKABRN CCC(CC)NC(=O)c1ccc2onc(-c3coc(-c4ccc(OC)cc4)n3)c2c1 ZINC000096154290 559098912 /nfs/dbraw/zinc/09/89/12/559098912.db2.gz KKLIMLYDUDVAAO-UHFFFAOYSA-N 0 0 405.454 5.077 40 0 HKABRN 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O=C(NCc1cccs1)c1ccc2onc(-c3csc(-c4cccnc4)n3)c2c1 ZINC000096154406 526784218 /nfs/dbraw/zinc/78/42/18/526784218.db2.gz QWJPJXWBSGIYOI-UHFFFAOYSA-N 0 0 418.503 5.005 40 0 HKABRN COc1ccc(-c2nc(-c3noc4ccc(C(=O)NC5CCCC5)cc43)cs2)cc1 ZINC000096154430 559098892 /nfs/dbraw/zinc/09/88/92/559098892.db2.gz JPMXQPDLTBAXJS-UHFFFAOYSA-N 0 0 419.506 5.299 40 0 HKABRN CCCN(CC)C(=O)c1ccc2onc(-c3csc(-c4ccc(OC)cc4)n3)c2c1 ZINC000096154455 559098895 /nfs/dbraw/zinc/09/88/95/559098895.db2.gz FRUPIYBLXCNFQG-UHFFFAOYSA-N 0 0 421.522 5.499 40 0 HKABRN CCC(CC)NC(=O)c1ccc2onc(-c3csc(-c4ccc(OC)cc4)n3)c2c1 ZINC000096154457 559098910 /nfs/dbraw/zinc/09/89/10/559098910.db2.gz CGVCOWZKTZHFBR-UHFFFAOYSA-N 0 0 421.522 5.545 40 0 HKABRN O=C(NCc1cccs1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 ZINC000096154469 559098908 /nfs/dbraw/zinc/09/89/08/559098908.db2.gz UKYGUVCXGZLDBP-UHFFFAOYSA-N 0 0 417.515 5.610 40 0 HKABRN Cc1ccc(CNC(=O)c2ccc3onc(-c4csc(-c5ccccc5)n4)c3c2)o1 ZINC000096154480 559098884 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O=C(NC1CCCCC1)c1cnc(-c2noc3cc(-c4ccncc4)ccc32)s1 ZINC000096154543 559099000 /nfs/dbraw/zinc/09/90/00/559099000.db2.gz ZQKCXARYERJWKF-UHFFFAOYSA-N 0 0 404.495 5.076 40 0 HKABRN CCCCN(C)C(=O)c1cnc(-c2noc3cc(NCc4ccccc4)ccc32)s1 ZINC000096154572 559098981 /nfs/dbraw/zinc/09/89/81/559098981.db2.gz QBNJLJVHGIIGAE-UHFFFAOYSA-N 0 0 420.538 5.436 40 0 HKABRN COc1ccc(-c2ccc3c(c2)onc3-c2ncc(C(=O)N(C)CC(C)C)s2)cc1 ZINC000096154651 559099114 /nfs/dbraw/zinc/09/91/14/559099114.db2.gz HYTBMSMXLQYQQW-UHFFFAOYSA-N 0 0 421.522 5.355 40 0 HKABRN CC(C)Oc1ccc(NC(=O)c2cc(-c3cn(C(C)C)cn3)n3ccccc23)cc1 ZINC000096154899 559099249 /nfs/dbraw/zinc/09/92/49/559099249.db2.gz HTKYWFKCMPJSEQ-UHFFFAOYSA-N 0 0 402.498 5.423 40 0 HKABRN COc1cccc(NC(=O)c2ccnn2-c2ccc3ccc(-c4ccccc4)cn32)c1 ZINC000096155238 559099501 /nfs/dbraw/zinc/09/95/01/559099501.db2.gz HAVUBGLHUYAUNP-UHFFFAOYSA-N 0 0 408.461 5.053 40 0 HKABRN O=C(Nc1ccccc1Cl)c1ccnn1-c1ccc2ccc(-c3ccccc3)cn21 ZINC000096155241 559099471 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CCCNC(=O)c1cc2ccc(-c3ccc(C(F)(F)F)cc3)cn2c1-c1cocn1 ZINC000096155503 559099757 /nfs/dbraw/zinc/09/97/57/559099757.db2.gz MNDSWHWBHPPVSF-UHFFFAOYSA-N 0 0 413.399 5.420 40 0 HKABRN O=C(NC1CC1)c1cc2ccc(-c3ccc(C(F)(F)F)cc3)cn2c1-c1cocn1 ZINC000096155504 559099762 /nfs/dbraw/zinc/09/97/62/559099762.db2.gz TXTVABCQRCZZNF-UHFFFAOYSA-N 0 0 411.383 5.172 40 0 HKABRN CC(C)NC(=O)c1cc2ccc(-c3ccc(C(F)(F)F)cc3)cn2c1-c1cocn1 ZINC000096155506 559099705 /nfs/dbraw/zinc/09/97/05/559099705.db2.gz QHTJVCPKEMFSQC-UHFFFAOYSA-N 0 0 413.399 5.418 40 0 HKABRN COc1cccc(-c2ccc3cc(C(=O)Nc4ccnc(C)c4)c(-c4cocn4)n3c2)c1 ZINC000096155544 559099726 /nfs/dbraw/zinc/09/97/26/559099726.db2.gz ZDNOBIIGMLGZKR-UHFFFAOYSA-N 0 0 424.460 5.226 40 0 HKABRN CC(C)n1cnc2c1cc(C1CCN(C(=O)c3ccccc3)CC1)nc2-c1ccccc1 ZINC000096155637 559099865 /nfs/dbraw/zinc/09/98/65/559099865.db2.gz CDBCZVLXIJERKY-UHFFFAOYSA-N 0 0 424.548 5.699 40 0 HKABRN O=C(CCC1CCCC1)N1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 ZINC000096155766 559099885 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5.845 40 0 HKABRN c1c2ccccc2oc1-c1nnc2sc(-c3ccc(OCc4ccccc4)cc3)nn21 ZINC000096193827 568703649 /nfs/dbraw/zinc/70/36/49/568703649.db2.gz FOOFTIJHUMAUAX-UHFFFAOYSA-N 0 0 424.485 5.845 40 0 HKABRN Clc1cccc2c(-c3nn4c(nnc4-c4cc5ccccc5o4)s3)cccc12 ZINC000096193834 568703568 /nfs/dbraw/zinc/70/35/68/568703568.db2.gz DYIDXNBUSRWZJA-UHFFFAOYSA-N 0 0 402.866 6.073 40 0 HKABRN FC(F)(F)c1cccc(Cc2nn3c(nnc3-c3cc4ccccc4o3)s2)c1 ZINC000096193839 568703622 /nfs/dbraw/zinc/70/36/22/568703622.db2.gz UBGOKPFHOQSIDS-UHFFFAOYSA-N 0 0 400.385 5.209 40 0 HKABRN c1c2ccccc2oc1-c1nnc2sc(Cc3ccc(Oc4ccccc4)cc3)nn21 ZINC000096193844 568703584 /nfs/dbraw/zinc/70/35/84/568703584.db2.gz QDQHRIJQHAGNKX-UHFFFAOYSA-N 0 0 424.485 5.982 40 0 HKABRN c1c2ccccc2oc1-c1nnc2sc(Cc3ccc(-c4ccccc4)cc3)nn21 ZINC000096193847 568703555 /nfs/dbraw/zinc/70/35/55/568703555.db2.gz YGSYJJRKITUTFO-UHFFFAOYSA-N 0 0 408.486 5.857 40 0 HKABRN CC(C)Cc1ccc([C@@H](C)c2nn3c(nnc3-c3cc4ccccc4o3)s2)cc1 ZINC000096193853 568703536 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Cc1ccc(C(C)C)c(OCc2nn3c(nnc3-c3cc4ccccc4o3)s2)c1 ZINC000096193925 568703873 /nfs/dbraw/zinc/70/38/73/568703873.db2.gz LNEFRXCILZEKBP-UHFFFAOYSA-N 0 0 404.495 5.610 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)c1nn2c(nnc2-c2cc3ccccc3o2)s1 ZINC000096193933 568703767 /nfs/dbraw/zinc/70/37/67/568703767.db2.gz JHXCBDHXLQFMJE-UHFFFAOYSA-N 0 0 410.886 5.567 40 0 HKABRN Clc1ccc(/C=C/c2nn3c(nnc3-c3cc4ccccc4o3)s2)c(Cl)c1 ZINC000096193944 568703819 /nfs/dbraw/zinc/70/38/19/568703819.db2.gz GSYKSWZGJFDOLQ-SOFGYWHQSA-N 0 0 413.289 6.076 40 0 HKABRN C(=C(c1ccccc1)c1ccccc1)c1nn2c(nnc2-c2cc3ccccc3o2)s1 ZINC000096193964 568703909 /nfs/dbraw/zinc/70/39/09/568703909.db2.gz CYVXBFBAFSQJSX-UHFFFAOYSA-N 0 0 420.497 6.188 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc(-c3ccccc3Br)nn21 ZINC000096194111 568703926 /nfs/dbraw/zinc/70/39/26/568703926.db2.gz DAEHJPBYAHIDQP-UHFFFAOYSA-N 0 0 411.284 5.337 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc(-c3cccc(Br)c3)nn21 ZINC000096194113 568703764 /nfs/dbraw/zinc/70/37/64/568703764.db2.gz DMTOQTQFXVCRBJ-UHFFFAOYSA-N 0 0 411.284 5.337 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc(-c3ccc(Cl)cc3Cl)nn21 ZINC000096194139 568703824 /nfs/dbraw/zinc/70/38/24/568703824.db2.gz KTVMPOGXUUJGSU-UHFFFAOYSA-N 0 0 401.278 5.881 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc(-c3cc(Cl)ccc3Cl)nn21 ZINC000096194142 568703912 /nfs/dbraw/zinc/70/39/12/568703912.db2.gz VGTRDRCWCPSFRT-UHFFFAOYSA-N 0 0 401.278 5.881 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc(-c3ccc(Cl)c(Cl)c3)nn21 ZINC000096194145 568703895 /nfs/dbraw/zinc/70/38/95/568703895.db2.gz IYGUACGMNHXHDM-UHFFFAOYSA-N 0 0 401.278 5.881 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc(-c3cccc(Cl)c3Cl)nn21 ZINC000096194147 568703792 /nfs/dbraw/zinc/70/37/92/568703792.db2.gz PQISVHVHJDAJPF-UHFFFAOYSA-N 0 0 401.278 5.881 40 0 HKABRN CCOc1ccc(-c2nn3c(nnc3-c3oc4ccccc4c3C)s2)cc1OCC ZINC000096194207 568703753 /nfs/dbraw/zinc/70/37/53/568703753.db2.gz PKQJEJYWXCSABX-UHFFFAOYSA-N 0 0 420.494 5.372 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc(-c3cccc4c(Cl)cccc34)nn21 ZINC000096194241 568703841 /nfs/dbraw/zinc/70/38/41/568703841.db2.gz UMDZLMQJLKSFJB-UHFFFAOYSA-N 0 0 416.893 6.381 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc(-c3ccc(-c4ccccc4)cc3)nn21 ZINC000096194242 568703949 /nfs/dbraw/zinc/70/39/49/568703949.db2.gz XEZHDIUPGZOYPL-UHFFFAOYSA-N 0 0 408.486 6.241 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc(Cc3cccc(C(F)(F)F)c3)nn21 ZINC000096194252 568703807 /nfs/dbraw/zinc/70/38/07/568703807.db2.gz ZTHPNEORHWYQGJ-UHFFFAOYSA-N 0 0 414.412 5.517 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc(Cc3ccc4c(c3)CCCC4)nn21 ZINC000096194270 568703884 /nfs/dbraw/zinc/70/38/84/568703884.db2.gz SJBYJXPHCZAQHI-UHFFFAOYSA-N 0 0 400.507 5.377 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc(Cc3ccc(-c4ccccc4)cc3)nn21 ZINC000096194274 568703797 /nfs/dbraw/zinc/70/37/97/568703797.db2.gz FXZHKKWIBRMBTL-UHFFFAOYSA-N 0 0 422.513 6.165 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc([C@@H](C)c3ccc(CC(C)C)cc3)nn21 ZINC000096194282 568703916 /nfs/dbraw/zinc/70/39/16/568703916.db2.gz VYWWGJVQOMUEMB-HNNXBMFYSA-N 0 0 416.550 6.258 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc([C@H](C)c3ccc(CC(C)C)cc3)nn21 ZINC000096194285 568703860 /nfs/dbraw/zinc/70/38/60/568703860.db2.gz VYWWGJVQOMUEMB-OAHLLOKOSA-N 0 0 416.550 6.258 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc(C(c3ccccc3)c3ccccc3)nn21 ZINC000096194287 568703780 /nfs/dbraw/zinc/70/37/80/568703780.db2.gz QYNFEWRHZSHPEB-UHFFFAOYSA-N 0 0 422.513 6.088 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc(COc3ccc(C(C)(C)C)cc3)nn21 ZINC000096194320 568703931 /nfs/dbraw/zinc/70/39/31/568703931.db2.gz DXJSXGLRHUIFTM-UHFFFAOYSA-N 0 0 418.522 5.784 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc(COc3ccc(Cl)c(C)c3)nn21 ZINC000096194331 568703757 /nfs/dbraw/zinc/70/37/57/568703757.db2.gz IOKVHCITRXQMAH-UHFFFAOYSA-N 0 0 410.886 5.448 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc(COc3cc(C)ccc3C(C)C)nn21 ZINC000096194358 568703845 /nfs/dbraw/zinc/70/38/45/568703845.db2.gz DYMJIDXYDRWXDJ-UHFFFAOYSA-N 0 0 418.522 5.918 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc(COc3cccc4ccccc43)nn21 ZINC000096194360 568703770 /nfs/dbraw/zinc/70/37/70/568703770.db2.gz NHUGGBRAHWQMLD-UHFFFAOYSA-N 0 0 412.474 5.640 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc(COc3ccc4ccccc4c3)nn21 ZINC000096194362 568703784 /nfs/dbraw/zinc/70/37/84/568703784.db2.gz AFYAGMRAEXHXSH-UHFFFAOYSA-N 0 0 412.474 5.640 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc(C(C)(C)Oc3ccc(Cl)cc3)nn21 ZINC000096194365 568703760 /nfs/dbraw/zinc/70/37/60/568703760.db2.gz RKJVMQPHCPRXMT-UHFFFAOYSA-N 0 0 424.913 5.875 40 0 HKABRN Cc1c2ccccc2oc1-c1nnc2sc(CSc3ccc(Cl)cc3)nn21 ZINC000096194452 568704059 /nfs/dbraw/zinc/70/40/59/568704059.db2.gz TZMOPYFDHYVSBY-UHFFFAOYSA-N 0 0 412.927 5.853 40 0 HKABRN Cc1cc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc(C)c1Br ZINC000096234477 559103091 /nfs/dbraw/zinc/10/30/91/559103091.db2.gz HKXIJGFTTFRGER-UHFFFAOYSA-N 0 0 417.130 5.068 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000096248319 559105203 /nfs/dbraw/zinc/10/52/03/559105203.db2.gz WNWIHJWESKCFLP-HNNXBMFYSA-N 0 0 421.975 5.371 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000096248320 559105170 /nfs/dbraw/zinc/10/51/70/559105170.db2.gz WNWIHJWESKCFLP-OAHLLOKOSA-N 0 0 421.975 5.371 40 0 HKABRN Cc1cc(NC(=O)c2ccc3onc(-c4csc(-c5ccccc5)n4)c3c2)ccn1 ZINC000096266550 559107726 /nfs/dbraw/zinc/10/77/26/559107726.db2.gz BDECGKNUJRHEAS-UHFFFAOYSA-N 0 0 412.474 5.574 40 0 HKABRN CCCCN(C)C(=O)c1cnc(-c2noc3cc(N4CCC(C)CC4)ccc32)s1 ZINC000096266604 559107816 /nfs/dbraw/zinc/10/78/16/559107816.db2.gz FTCSBQZKUIJXDL-UHFFFAOYSA-N 0 0 412.559 5.060 40 0 HKABRN CC1CCN(c2ccc3c(c2)onc3-c2ncc(C(=O)NC3CCCCC3)s2)CC1 ZINC000096266607 559107880 /nfs/dbraw/zinc/10/78/80/559107880.db2.gz ZDICMVCFEACDHC-UHFFFAOYSA-N 0 0 424.570 5.250 40 0 HKABRN Cc1cccc(-c2ccc3cc(C(=O)NCc4cccs4)c(-c4cocn4)n3c2)c1 ZINC000096267030 559107866 /nfs/dbraw/zinc/10/78/66/559107866.db2.gz MALWDDPGSCBDOE-UHFFFAOYSA-N 0 0 413.502 5.561 40 0 HKABRN Cc1ccc(NC(=O)c2cc3ccc(-c4ccc(F)cc4)cn3c2-c2cocn2)nc1 ZINC000096267032 559107869 /nfs/dbraw/zinc/10/78/69/559107869.db2.gz CFBKLRHPJTVVMS-UHFFFAOYSA-N 0 0 412.424 5.356 40 0 HKABRN COc1cccc(-c2ccc3cc(C(=O)Nc4ccc(C)cn4)c(-c4cocn4)n3c2)c1 ZINC000096267052 559107841 /nfs/dbraw/zinc/10/78/41/559107841.db2.gz GCVAGWPVEDVXKT-UHFFFAOYSA-N 0 0 424.460 5.226 40 0 HKABRN COc1cccc(Nc2ccc3c([C@H]4CCCN4Cc4ccc(C)cc4)nnn3c2)c1 ZINC000096267962 559108404 /nfs/dbraw/zinc/10/84/04/559108404.db2.gz JRWNGXYBDBDDLW-HSZRJFAPSA-N 0 0 413.525 5.127 40 0 HKABRN COc1cccc(Nc2ccc3c([C@@H]4CCCN4Cc4ccc(C)cc4)nnn3c2)c1 ZINC000096267963 559108428 /nfs/dbraw/zinc/10/84/28/559108428.db2.gz JRWNGXYBDBDDLW-QHCPKHFHSA-N 0 0 413.525 5.127 40 0 HKABRN C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1onc(-c2ccc(F)cc2)c1C(=O)[O-] ZINC000096297099 291295568 /nfs/dbraw/zinc/29/55/68/291295568.db2.gz GTIPCSPRBXRZCV-LLVKDONJSA-N 0 0 408.351 5.049 40 0 biogenic,in-vitro HKABRN O=S(=O)(Oc1c(Cl)cc(Cl)c2cccnc21)c1ccc(Cl)cc1Cl ZINC000096305705 559109070 /nfs/dbraw/zinc/10/90/70/559109070.db2.gz TVMPPVRGRMTBJE-UHFFFAOYSA-N 0 0 423.104 5.616 40 0 HKABRN CC(C)(C)OC(=O)n1c(-c2cccc(=O)[nH]2)cc2c1cccc2OCc1ccccc1 ZINC000096311927 569072454 /nfs/dbraw/zinc/07/24/54/569072454.db2.gz ONLYGTXRXWFUAW-UHFFFAOYSA-N 0 0 416.477 5.359 40 0 HKABRN CC(C)(C)OC(=O)n1c(-c2cccc(=O)[nH]2)cc2cc(OCc3ccccc3)ccc21 ZINC000096311931 569072466 /nfs/dbraw/zinc/07/24/66/569072466.db2.gz LIMBZUUIOOYCAB-UHFFFAOYSA-N 0 0 416.477 5.359 40 0 HKABRN CC(C)(C)OC(=O)n1c(-c2cccc(=O)[nH]2)cc2ccc(OCc3ccccc3)cc21 ZINC000096311933 569072448 /nfs/dbraw/zinc/07/24/48/569072448.db2.gz OXDGWOYQKYCMQJ-UHFFFAOYSA-N 0 0 416.477 5.359 40 0 HKABRN Cc1noc(-c2cnc(C)nc2[C@@H]2CCCN2Cc2ccc(Cl)c(Cl)c2)c1C ZINC000096315929 559109660 /nfs/dbraw/zinc/10/96/60/559109660.db2.gz XARFCAIPGCJETF-IBGZPJMESA-N 0 0 417.340 5.701 40 0 HKABRN Cc1noc(-c2cnc(C)nc2[C@H]2CCCN2Cc2ccc(Cl)c(Cl)c2)c1C ZINC000096315930 559109597 /nfs/dbraw/zinc/10/95/97/559109597.db2.gz XARFCAIPGCJETF-LJQANCHMSA-N 0 0 417.340 5.701 40 0 HKABRN CC(=O)O[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 ZINC000096331809 559110004 /nfs/dbraw/zinc/11/00/04/559110004.db2.gz KNPATZSHRPGJID-HXRMFLBJSA-N 0 0 402.575 5.449 40 0 HKABRN O=C(CN1CCCCC1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000096399897 569049561 /nfs/dbraw/zinc/04/95/61/569049561.db2.gz IFAGTGSSDRZZGP-CIKANIEGSA-N 0 0 413.565 5.296 40 0 HKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000096503934 568721993 /nfs/dbraw/zinc/72/19/93/568721993.db2.gz RYORKLMSLJFTDT-UHFFFAOYSA-N 0 0 422.695 6.457 40 0 HKABRN COc1ccc(OCCCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000096504210 568721891 /nfs/dbraw/zinc/72/18/91/568721891.db2.gz UCGLKCQTCRONDU-UHFFFAOYSA-N 0 0 411.885 5.939 40 0 HKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(I)cc1 ZINC000096506108 568721932 /nfs/dbraw/zinc/72/19/32/568721932.db2.gz SRRHWZAHWIWPQI-UHFFFAOYSA-N 0 0 415.230 5.336 40 0 HKABRN CC(C)(C)OC(=O)n1cc(Br)c2c1cccc2C(=O)c1ccccc1 ZINC000096509805 558962128 /nfs/dbraw/zinc/96/21/28/558962128.db2.gz LWCYHPUGIBQUOX-UHFFFAOYSA-N 0 0 400.272 5.418 40 0 HKABRN O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000096586355 559111498 /nfs/dbraw/zinc/11/14/98/559111498.db2.gz UGLQKCKORWQGFS-UHFFFAOYSA-N 0 0 419.908 5.467 40 0 HKABRN C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O ZINC000096589833 569352581 /nfs/dbraw/zinc/35/25/81/569352581.db2.gz SDMJLNKNFXHQRB-AZUAARDMSA-N 0 0 400.478 5.027 40 0 HKABRN C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O ZINC000096589834 569352591 /nfs/dbraw/zinc/35/25/91/569352591.db2.gz SDMJLNKNFXHQRB-UYAOXDASSA-N 0 0 400.478 5.027 40 0 HKABRN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O ZINC000096589835 569352599 /nfs/dbraw/zinc/35/25/99/569352599.db2.gz SDMJLNKNFXHQRB-ICSRJNTNSA-N 0 0 400.478 5.027 40 0 HKABRN C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O ZINC000096589836 569352561 /nfs/dbraw/zinc/35/25/61/569352561.db2.gz SDMJLNKNFXHQRB-QUCCMNQESA-N 0 0 400.478 5.027 40 0 HKABRN CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1cccc(C)c1 ZINC000097528523 559119099 /nfs/dbraw/zinc/11/90/99/559119099.db2.gz HNMDTXSTZGIFFL-UHFFFAOYSA-N 0 0 411.918 5.269 40 0 HKABRN CCOc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000097797808 559122258 /nfs/dbraw/zinc/12/22/58/559122258.db2.gz WSQCTQFTERXMRY-QMWXCIFZSA-N 0 0 423.512 5.328 40 0 HKABRN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000097976244 559125524 /nfs/dbraw/zinc/12/55/24/559125524.db2.gz FXWAFDROLPRQFL-JWMVIBKGSA-N 0 0 414.674 6.382 40 0 HKABRN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000097976245 559125487 /nfs/dbraw/zinc/12/54/87/559125487.db2.gz FXWAFDROLPRQFL-IGHOWCTLSA-N 0 0 414.674 6.382 40 0 HKABRN CCCCCCc1ccsc1-c1cc(CCCCCC)c(Br)s1 ZINC000098177471 559117673 /nfs/dbraw/zinc/11/76/73/559117673.db2.gz YKACHONIXJZHBI-UHFFFAOYSA-N 0 0 413.490 8.485 40 0 HKABRN O=C(NCCc1ccccc1Br)OCC1c2ccccc2-c2ccccc21 ZINC000098181722 568723462 /nfs/dbraw/zinc/72/34/62/568723462.db2.gz CUJJCQWXAKHZSS-UHFFFAOYSA-N 0 0 422.322 5.530 40 0 HKABRN CCOC(=O)c1sc2c(cc(C(=O)C(F)(F)F)c3ccccc23)c1C(F)(F)F ZINC000100040936 559129095 /nfs/dbraw/zinc/12/90/95/559129095.db2.gz UUAHUNQEDSEPRS-UHFFFAOYSA-N 0 0 420.330 5.995 40 0 HKABRN Cc1ccc(C)c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1 ZINC000100050347 569010021 /nfs/dbraw/zinc/01/00/21/569010021.db2.gz NEZLLAPYDIROPG-AYEHBTSNSA-N 0 0 407.513 5.546 40 0 HKABRN Cc1ccc(C)c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@@H]3c2ccccc2)c1 ZINC000100050352 569010013 /nfs/dbraw/zinc/01/00/13/569010013.db2.gz NEZLLAPYDIROPG-OSNGURLVSA-N 0 0 407.513 5.546 40 0 HKABRN Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](c2ccccc2)CC[C@H]3c2ccccc2)c1C ZINC000100064276 569010412 /nfs/dbraw/zinc/01/04/12/569010412.db2.gz UUOHHXXXBMIDST-AYEHBTSNSA-N 0 0 409.529 5.770 40 0 HKABRN Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](c2ccccc2)CC[C@@H]3c2ccccc2)c1C ZINC000100064283 569010442 /nfs/dbraw/zinc/01/04/42/569010442.db2.gz UUOHHXXXBMIDST-OSNGURLVSA-N 0 0 409.529 5.770 40 0 HKABRN Cc1ccc(-c2c(Br)s/c(=N\c3ccccc3)n2-c2ccccc2)cc1 ZINC000100135239 569012225 /nfs/dbraw/zinc/01/22/25/569012225.db2.gz UXDZCUQVXHLWLV-GYHWCHFESA-N 0 0 421.363 6.509 40 0 HKABRN Cc1scc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)c1C ZINC000100156291 559131138 /nfs/dbraw/zinc/13/11/38/559131138.db2.gz HSLZBVILTZRCQF-GASCZTMLSA-N 0 0 401.557 5.180 40 0 HKABRN CCc1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)cs1 ZINC000100156293 559131135 /nfs/dbraw/zinc/13/11/35/559131135.db2.gz WBLMNUOKDUSYLK-OKILXGFUSA-N 0 0 401.557 5.126 40 0 HKABRN O=C(NC[C@H]1CC[C@H](c2nnc(-c3cccs3)o2)CC1)c1cc2cc(F)ccc2[nH]1 ZINC000100156306 559131167 /nfs/dbraw/zinc/13/11/67/559131167.db2.gz UTELTDHXTRVNSU-OKILXGFUSA-N 0 0 424.501 5.122 40 0 HKABRN O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1cccc2ncccc21 ZINC000100156405 559131247 /nfs/dbraw/zinc/13/12/47/559131247.db2.gz ROVLGWSZOZEPPL-IYBDPMFKSA-N 0 0 418.522 5.050 40 0 HKABRN O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1csc2ccccc12 ZINC000100156409 559131232 /nfs/dbraw/zinc/13/12/32/559131232.db2.gz VCHBHMIVJOUBPV-GASCZTMLSA-N 0 0 423.563 5.717 40 0 HKABRN O=C(Cc1c[nH]c2ccccc12)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 ZINC000100175940 559131525 /nfs/dbraw/zinc/13/15/25/559131525.db2.gz FEXMDBFPKNKXOW-HXUWFJFHSA-N 0 0 405.523 5.571 40 0 HKABRN O=C(NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc43)o2)CC1)C1CCCCC1 ZINC000100219390 559132183 /nfs/dbraw/zinc/13/21/83/559132183.db2.gz OTXVZPCPAXMMRJ-MSEWRSJXSA-N 0 0 418.541 5.255 40 0 HKABRN O=C(c1ccccc1)C(C(=O)c1ccccc1)[C@@H](/C=C/c1ccccc1)c1ccccc1 ZINC000100267054 569017505 /nfs/dbraw/zinc/01/75/05/569017505.db2.gz ZYFZLDGNZMJBKX-BZNVDEBGSA-N 0 0 416.520 6.866 40 0 HKABRN O=C(c1ccccc1)C(C(=O)c1ccccc1)[C@H](/C=C/c1ccccc1)c1ccccc1 ZINC000100267058 569017525 /nfs/dbraw/zinc/01/75/25/569017525.db2.gz ZYFZLDGNZMJBKX-MTEPZQBTSA-N 0 0 416.520 6.866 40 0 HKABRN COc1ccc(CC/N=c2/cc(-c3ccccc3)oc3ccc(Cl)cc32)cc1OC ZINC000100267104 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404.922 5.909 40 0 HKABRN CC1=C(C(=S)Nc2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1C ZINC000100857991 559141420 /nfs/dbraw/zinc/14/14/20/559141420.db2.gz XAIIJUORSVCOAU-KRWDZBQOSA-N 0 0 405.445 5.115 40 0 HKABRN CC1=C(C(=S)Nc2ccccc2)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1C ZINC000100857992 559141397 /nfs/dbraw/zinc/14/13/97/559141397.db2.gz XAIIJUORSVCOAU-QGZVFWFLSA-N 0 0 405.445 5.115 40 0 HKABRN Cc1ccc(NC(=S)C2=C(C)NC(=S)N[C@@H]2c2cccc3ccccc32)cc1 ZINC000100857993 559141412 /nfs/dbraw/zinc/14/14/12/559141412.db2.gz FBABBUGYXRYIAE-OAQYLSRUSA-N 0 0 403.576 5.381 40 0 HKABRN Cc1ccc(NC(=S)C2=C(C)NC(=S)N[C@H]2c2cccc3ccccc32)cc1 ZINC000100857994 559141440 /nfs/dbraw/zinc/14/14/40/559141440.db2.gz FBABBUGYXRYIAE-NRFANRHFSA-N 0 0 403.576 5.381 40 0 HKABRN COc1ccc(-c2cs/c(=N\C(=O)c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000100930828 558810534 /nfs/dbraw/zinc/81/05/34/558810534.db2.gz QSLPRFPNQWLCBJ-BZZOAKBMSA-N 0 0 420.921 5.609 40 0 HKABRN CCOc1ccc(-c2cs/c(=N\C(=O)c3ccccc3)n2-c2ccccc2)cc1 ZINC000100930863 558810617 /nfs/dbraw/zinc/81/06/17/558810617.db2.gz WCSOBSFWRAJINN-IZHYLOQSSA-N 0 0 400.503 5.346 40 0 HKABRN Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000100989652 559142508 /nfs/dbraw/zinc/14/25/08/559142508.db2.gz OAUKFGBFQARAMC-UHFFFAOYSA-N 0 0 416.524 6.269 40 0 HKABRN O=C(/N=c1/scc(-c2ccccc2Cl)n1Cc1ccccc1)c1ccccc1 ZINC000101024815 559142804 /nfs/dbraw/zinc/14/28/04/559142804.db2.gz JMORKAIMRRYIML-WJTDDFOZSA-N 0 0 404.922 5.659 40 0 HKABRN 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(=O)CC[C@]34C)[C@H]2C1 ZINC000101125508 560728006 /nfs/dbraw/zinc/72/80/06/560728006.db2.gz LIIFBMGUDSHTOU-MQCKPYFTSA-N 0 0 424.713 8.377 40 0 HKABRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 ZINC000101125512 569352568 /nfs/dbraw/zinc/35/25/68/569352568.db2.gz LIIFBMGUDSHTOU-ITAQAIQMSA-N 0 0 424.713 8.377 40 0 HKABRN Clc1ccc2oc(-c3ccccc3)c/c(=N/c3nc(-c4ccccc4)cs3)c2c1 ZINC000101168614 560727701 /nfs/dbraw/zinc/72/77/01/560727701.db2.gz XKQFACJLQLOMNL-QOMWVZHYSA-N 0 0 414.917 7.109 40 0 HKABRN CC[C@@H](C)C(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)[C@@H](C)CC)c2ccccc21 ZINC000101176311 559143808 /nfs/dbraw/zinc/14/38/08/559143808.db2.gz WYDOYBRGEXKRFI-VKDGWMQASA-N 0 0 406.570 5.978 40 0 HKABRN CC[C@@H](C)C(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)[C@H](C)CC)c2ccccc21 ZINC000101176314 559143802 /nfs/dbraw/zinc/14/38/02/559143802.db2.gz WYDOYBRGEXKRFI-FDGPYGQJSA-N 0 0 406.570 5.978 40 0 HKABRN CC[C@@H](C)C(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)[C@@H](C)CC)c2ccccc21 ZINC000101176317 560851213 /nfs/dbraw/zinc/85/12/13/560851213.db2.gz WYDOYBRGEXKRFI-SMOZNVCYSA-N 0 0 406.570 5.978 40 0 HKABRN CC[C@@H](C)C(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)[C@H](C)CC)c2ccccc21 ZINC000101176319 559143817 /nfs/dbraw/zinc/14/38/17/559143817.db2.gz WYDOYBRGEXKRFI-FIXDAVPBSA-N 0 0 406.570 5.978 40 0 HKABRN Cc1cc(N2C(=O)[C@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)cc(C)c1Br ZINC000101257685 568694148 /nfs/dbraw/zinc/69/41/48/568694148.db2.gz CHHCHFDZBHHLJO-NEWSRXKRSA-N 0 0 412.327 5.139 40 0 HKABRN O=C1C[C@@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1cccc(Cl)c1Cl ZINC000101277081 559144383 /nfs/dbraw/zinc/14/43/83/559144383.db2.gz XDDZUAUBLCQSEK-LLVKDONJSA-N 0 0 404.080 5.044 40 0 HKABRN O=C1C[C@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1cccc(Cl)c1Cl ZINC000101277086 559144408 /nfs/dbraw/zinc/14/44/08/559144408.db2.gz HFZMVAHURUJMKB-LBPRGKRZSA-N 0 0 404.080 5.044 40 0 HKABRN O=C1C[C@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(Cl)c1Cl ZINC000101277089 559144379 /nfs/dbraw/zinc/14/43/79/559144379.db2.gz XMIQHYAECWPSLL-LBPRGKRZSA-N 0 0 404.080 5.044 40 0 HKABRN O=C1C[C@@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1ccc(Cl)cc1Cl ZINC000101277141 559144403 /nfs/dbraw/zinc/14/44/03/559144403.db2.gz YRQCTHRITNIKLV-GFCCVEGCSA-N 0 0 404.080 5.044 40 0 HKABRN O=C1C[C@@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1Cl ZINC000101277143 559144385 /nfs/dbraw/zinc/14/43/85/559144385.db2.gz FURVABLBWBUSJX-CYBMUJFWSA-N 0 0 404.080 5.044 40 0 HKABRN O=C1C[C@@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1Cl ZINC000101277145 559144396 /nfs/dbraw/zinc/14/43/96/559144396.db2.gz URICGKLWTBXWCL-CYBMUJFWSA-N 0 0 404.080 5.044 40 0 HKABRN O=C1C[C@@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101277192 559144376 /nfs/dbraw/zinc/14/43/76/559144376.db2.gz OWHHWLHAWPUUIE-CYBMUJFWSA-N 0 0 404.080 5.044 40 0 HKABRN O=C1C[C@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101277193 559144417 /nfs/dbraw/zinc/14/44/17/559144417.db2.gz JWYVTDOMLJRTNT-AWEZNQCLSA-N 0 0 404.080 5.044 40 0 HKABRN O=C1C[C@@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101277195 559144399 /nfs/dbraw/zinc/14/43/99/559144399.db2.gz PSQZNRDCVMLTNU-CQSZACIVSA-N 0 0 404.080 5.044 40 0 HKABRN O=C(NCc1ccncc1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000101283094 560728354 /nfs/dbraw/zinc/72/83/54/560728354.db2.gz JSCCSZCZIMJDCI-ZBCVKJESSA-N 0 0 409.533 5.308 40 0 HKABRN O=C(NCc1cccnc1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000101283274 560728353 /nfs/dbraw/zinc/72/83/53/560728353.db2.gz HSJXOMZEPTVVQC-ZBCVKJESSA-N 0 0 409.533 5.308 40 0 HKABRN COc1ccc(-c2cs/c(=N/c3ccccc3)n2CCCOC(C)C)cc1Cl ZINC000101513987 559147184 /nfs/dbraw/zinc/14/71/84/559147184.db2.gz FYWUZNNLZCCKII-ZNTNEXAZSA-N 0 0 416.974 5.926 40 0 HKABRN COC(=O)C1=C(C)NC2=C(CCCC2)[C@H]1c1ccc(COc2ccc(F)cc2F)o1 ZINC000101526028 568936248 /nfs/dbraw/zinc/93/62/48/568936248.db2.gz RTMMOQLGEDSDKU-QFIPXVFZSA-N 0 0 415.436 5.099 40 0 HKABRN COC(=O)C1=C(C)NC2=C(CCCC2)[C@@H]1c1ccc(COc2ccc(F)cc2F)o1 ZINC000101526032 568936322 /nfs/dbraw/zinc/93/63/22/568936322.db2.gz RTMMOQLGEDSDKU-JOCHJYFZSA-N 0 0 415.436 5.099 40 0 HKABRN C[C@H](/C=C\[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2/C(=C\C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C ZINC000101531814 569352565 /nfs/dbraw/zinc/35/25/65/569352565.db2.gz BPKAHTKRCLCHEA-WTPNZDKRSA-N 0 0 416.646 5.561 40 0 HKABRN C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2/C(=C\C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C ZINC000101531820 569352564 /nfs/dbraw/zinc/35/25/64/569352564.db2.gz BPKAHTKRCLCHEA-COVBIWGMSA-N 0 0 416.646 5.561 40 0 HKABRN Cc1cc2c(c(C(C)(C)C)c1)OC(=O)/C2=C1\c2cc(C)cc(C(C)(C)C)c2OC1=O ZINC000101624400 559147483 /nfs/dbraw/zinc/14/74/83/559147483.db2.gz PCMCFJZDBPZKJG-FMQUCBEESA-N 0 0 404.506 5.647 40 0 HKABRN O=C1CCC[C@]2(C1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccs3)=NN12 ZINC000101647286 569014830 /nfs/dbraw/zinc/01/48/30/569014830.db2.gz JQRLXQZOWNBHDG-QFBILLFUSA-N 0 0 417.328 5.376 40 0 HKABRN O=C1CCC[C@]2(C1)Oc1ccc(Br)cc1[C@H]1CC(c3cccs3)=NN12 ZINC000101647288 569014849 /nfs/dbraw/zinc/01/48/49/569014849.db2.gz JQRLXQZOWNBHDG-VQIMIIECSA-N 0 0 417.328 5.376 40 0 HKABRN CCC(=O)N(CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)[C@H](C)c1ccccc1 ZINC000101674201 559147670 /nfs/dbraw/zinc/14/76/70/559147670.db2.gz AKAMYEOOALBFQV-SDUSCBPUSA-N 0 0 407.598 6.365 40 0 HKABRN COC(=O)c1c(/C=C/NCc2ccccc2)n(Cc2ccccc2)nc1-c1ccccc1 ZINC000102330374 559149903 /nfs/dbraw/zinc/14/99/03/559149903.db2.gz HYXLOTHGFYJANH-ISLYRVAYSA-N 0 0 423.516 5.146 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000102420608 560810849 /nfs/dbraw/zinc/81/08/49/560810849.db2.gz CBLNRNPJYSZWLZ-JEUHMODBSA-N 0 0 402.881 5.306 40 0 HKABRN c1s/c(=N\c2ccccc2)n(-c2ccccc2)c1-c1ccc(Oc2ccccc2)cc1 ZINC000102632556 569050233 /nfs/dbraw/zinc/05/02/33/569050233.db2.gz OIPIRWQSQVMMNU-DQSJHHFOSA-N 0 0 420.537 7.231 40 0 HKABRN Cc1cc(N2C(=O)[C@@H]3C[C@H](c4ccccc4)CC[C@@H]3C2=O)cc(C)c1Br ZINC000102634576 559151539 /nfs/dbraw/zinc/15/15/39/559151539.db2.gz CHHCHFDZBHHLJO-NZSAHSFTSA-N 0 0 412.327 5.139 40 0 HKABRN c1ccc([C@H]2C3=C(c4ccccc4CC3)N3c4ccccc4O[C@@]34CCCC[C@H]24)cc1 ZINC000102666471 559151856 /nfs/dbraw/zinc/15/18/56/559151856.db2.gz SZOCNTHWLVFMCN-PZFKOMAXSA-N 0 0 405.541 6.927 40 0 HKABRN CCCCn1c(-c2ccc(OC)c(Br)c2)cs/c1=N/c1ccccc1 ZINC000102678210 569041261 /nfs/dbraw/zinc/04/12/61/569041261.db2.gz WIQCSRRTTXIIAG-LSDHQDQOSA-N 0 0 417.372 6.020 40 0 HKABRN O=C(Nc1ccc(Br)cc1)C1[C@H]2CC[C@@H]3[C@@H](CC[C@H]12)C3(Cl)Cl ZINC000102683203 559151837 /nfs/dbraw/zinc/15/18/37/559151837.db2.gz IHGXONDQOAQJQW-IGQOVBAYSA-N 0 0 403.147 5.244 40 0 HKABRN O=C(Nc1ccc(Br)cc1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@H]12)C3(Cl)Cl ZINC000102683207 560731458 /nfs/dbraw/zinc/73/14/58/560731458.db2.gz IHGXONDQOAQJQW-PFNKYVCDSA-N 0 0 403.147 5.244 40 0 HKABRN CC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)[C@H](C)c1cccs1 ZINC000102720533 559152157 /nfs/dbraw/zinc/15/21/57/559152157.db2.gz BXEUCOHZDIOKBI-JHMXWDHMSA-N 0 0 413.627 6.129 40 0 HKABRN O=C(NCc1ccccn1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000102732335 560731827 /nfs/dbraw/zinc/73/18/27/560731827.db2.gz NNDAFHZMYZKVOO-ZFFDXBFGSA-N 0 0 409.533 5.308 40 0 HKABRN CC[C@@]1(C)C[C@@H]([C@H](CCN(Cc2ccccc2)C(C)=O)c2ccc(OC)cc2)CCO1 ZINC000102807074 559152930 /nfs/dbraw/zinc/15/29/30/559152930.db2.gz SJNCWJQRIMYGPD-OIKPOIBNSA-N 0 0 423.597 5.813 40 0 HKABRN CC[C@@]1(C)C[C@H]([C@H](CCN(Cc2ccccc2)C(C)=O)c2ccc(OC)cc2)CCO1 ZINC000102807080 559152967 /nfs/dbraw/zinc/15/29/67/559152967.db2.gz SJNCWJQRIMYGPD-IEUSDUHPSA-N 0 0 423.597 5.813 40 0 HKABRN COc1ccccc1[C@@]1(CCN(C(C)=O)[C@H](C)c2ccccc2)CCO[C@H](C(C)C)C1 ZINC000102813128 560732195 /nfs/dbraw/zinc/73/21/95/560732195.db2.gz BLORJSGUUHAICH-AIGMYPEUSA-N 0 0 423.597 5.768 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000102822474 559153138 /nfs/dbraw/zinc/15/31/38/559153138.db2.gz YUFZTSYDVPUHQS-INIZCTEOSA-N 0 0 403.960 5.676 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000102822476 559153103 /nfs/dbraw/zinc/15/31/03/559153103.db2.gz YUFZTSYDVPUHQS-MRXNPFEDSA-N 0 0 403.960 5.676 40 0 HKABRN C[C@@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2c2c1c1ccccc1n2Cc1ccccc1 ZINC000102921294 559153608 /nfs/dbraw/zinc/15/36/08/559153608.db2.gz AONNCUFLRUFGMU-KPCPBYSCSA-N 0 0 420.512 5.470 40 0 HKABRN C[C@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2c2c1c1ccccc1n2Cc1ccccc1 ZINC000102921298 559153583 /nfs/dbraw/zinc/15/35/83/559153583.db2.gz AONNCUFLRUFGMU-FKRCVWNDSA-N 0 0 420.512 5.470 40 0 HKABRN COc1ccc(-c2c/c(=N/c3ccc(Br)cc3)c3cc(C)ccc3o2)cc1 ZINC000102926112 569042143 /nfs/dbraw/zinc/04/21/43/569042143.db2.gz KUMAFKSQIWFHGK-DAFNUICNSA-N 0 0 420.306 6.412 40 0 HKABRN O=[N+]([O-])C(C(=Nc1ccccc1)Sc1ccccc1)=C(Cl)C(Cl)Cl ZINC000102931840 559153557 /nfs/dbraw/zinc/15/35/57/559153557.db2.gz MCSDFYQDURKRBW-PEZBUJJGSA-N 0 0 401.702 6.222 40 0 HKABRN COc1ccc(/N=c2/scc(-c3ccc(F)cc3)n2Cc2ccccc2OC)cc1 ZINC000102962628 569050262 /nfs/dbraw/zinc/05/02/62/569050262.db2.gz QXKUJZUJZKZIJP-SHHOIMCASA-N 0 0 420.509 5.654 40 0 HKABRN CCc1ccc(-c2cs/c(=N/c3ccc(C)cc3)n2Cc2ccccc2Cl)cc1 ZINC000102962643 569050252 /nfs/dbraw/zinc/05/02/52/569050252.db2.gz JWYKLXWSEVWKCY-IMVLJIQESA-N 0 0 418.993 7.022 40 0 HKABRN CCCn1c(-c2ccc3c(c2)OCCO3)cs/c1=N/c1ccc(Cl)c(Cl)c1 ZINC000102962802 569042242 /nfs/dbraw/zinc/04/22/42/569042242.db2.gz JONSRCISGAFSFL-BSYVCWPDSA-N 0 0 421.349 5.937 40 0 HKABRN CCCCCC[C@H](O)C/C=C/CCCCCCC(C(=O)OC)=C(O)C(=O)OCC ZINC000102973232 559154016 /nfs/dbraw/zinc/15/40/16/559154016.db2.gz UHLSVUAQNIGZDA-QZNVSVCVSA-N 0 0 412.567 5.153 40 0 HKABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000102983028 559154085 /nfs/dbraw/zinc/15/40/85/559154085.db2.gz OWXRIXNNWKJTDH-NVPYSNMXSA-N 0 0 413.904 5.583 40 0 HKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=CCc1ccccc1)C(=O)c1ccccc1 ZINC000103212192 569359180 /nfs/dbraw/zinc/35/91/80/569359180.db2.gz SQYUSQQNCYCPRO-VJHVHOHKSA-N 0 0 404.550 6.203 40 0 HKABRN O=C1[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N2C(=S)[C@H]1c1ccccc1 ZINC000103357884 569047915 /nfs/dbraw/zinc/04/79/15/569047915.db2.gz IVDBOCQRNBHGAG-GPXNEJASSA-N 0 0 408.526 5.178 40 0 HKABRN O=C1[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N2C(=S)[C@H]1c1ccccc1 ZINC000103357887 569047933 /nfs/dbraw/zinc/04/79/33/569047933.db2.gz IVDBOCQRNBHGAG-FIXSFTCYSA-N 0 0 408.526 5.178 40 0 HKABRN Clc1ccc(-c2cs/c(=N/c3ccccc3)n2Cc2ccco2)c(Cl)c1 ZINC000103517798 559156121 /nfs/dbraw/zinc/15/61/21/559156121.db2.gz YVNOWAPCUVCGEL-BSYVCWPDSA-N 0 0 401.318 6.397 40 0 HKABRN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000103523624 559156125 /nfs/dbraw/zinc/15/61/25/559156125.db2.gz YPOPPLOITLZNCL-DEOSSOPVSA-N 0 0 418.537 6.144 40 0 HKABRN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000103523628 559156186 /nfs/dbraw/zinc/15/61/86/559156186.db2.gz YPOPPLOITLZNCL-XMMPIXPASA-N 0 0 418.537 6.144 40 0 HKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@H]2c1cccs1 ZINC000103545183 559156261 /nfs/dbraw/zinc/15/62/61/559156261.db2.gz MXGODERCGPEXFA-VWLOTQADSA-N 0 0 414.574 7.214 40 0 HKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@@H]2c1cccs1 ZINC000103545188 559156255 /nfs/dbraw/zinc/15/62/55/559156255.db2.gz MXGODERCGPEXFA-RUZDIDTESA-N 0 0 414.574 7.214 40 0 HKABRN Cc1ccc(C)c(NC2=C[C@H](c3ccc(F)cc3)N(c3cc(C)ccc3C)C2=O)c1 ZINC000103670339 560734410 /nfs/dbraw/zinc/73/44/10/560734410.db2.gz DALUQYVXUUIISZ-RUZDIDTESA-N 0 0 400.497 6.143 40 0 HKABRN Cc1ccc(C)c(NC2=C[C@@H](c3ccc(F)cc3)N(c3cc(C)ccc3C)C2=O)c1 ZINC000103670343 560734396 /nfs/dbraw/zinc/73/43/96/560734396.db2.gz DALUQYVXUUIISZ-VWLOTQADSA-N 0 0 400.497 6.143 40 0 HKABRN Cc1cc(C)cc(NC2=C[C@H](c3ccc(F)cc3)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000103670351 560734404 /nfs/dbraw/zinc/73/44/04/560734404.db2.gz RIBCYGHHLBAALF-RUZDIDTESA-N 0 0 400.497 6.143 40 0 HKABRN Cc1cc(C)cc(NC2=C[C@@H](c3ccc(F)cc3)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000103670358 560734412 /nfs/dbraw/zinc/73/44/12/560734412.db2.gz RIBCYGHHLBAALF-VWLOTQADSA-N 0 0 400.497 6.143 40 0 HKABRN CCn1c(N)c2c(-c3ccc(Cl)cc3)cc(-c3ccc(C)cc3)nc2nc1=S ZINC000103671234 560734414 /nfs/dbraw/zinc/73/44/14/560734414.db2.gz FSQOMHRGIRPCGM-UHFFFAOYSA-N 0 0 406.942 5.889 40 0 HKABRN O=C1[C@@H]2C=CC=C[C@@H]2N=C(SCc2cccc3ccccc32)N1Cc1ccccc1 ZINC000103672122 560734432 /nfs/dbraw/zinc/73/44/32/560734432.db2.gz IAWGRQUAYAPHRS-RPWUZVMVSA-N 0 0 410.542 5.582 40 0 HKABRN O=C1[C@H]2C=CC=C[C@@H]2N=C(SCc2cccc3ccccc32)N1Cc1ccccc1 ZINC000103672125 560734407 /nfs/dbraw/zinc/73/44/07/560734407.db2.gz IAWGRQUAYAPHRS-ZEQRLZLVSA-N 0 0 410.542 5.582 40 0 HKABRN O=C1[C@@H]2C=CC=C[C@H]2N=C(SCc2cccc3ccccc32)N1Cc1ccccc1 ZINC000103672129 560734398 /nfs/dbraw/zinc/73/43/98/560734398.db2.gz IAWGRQUAYAPHRS-DNQXCXABSA-N 0 0 410.542 5.582 40 0 HKABRN O=C1[C@H]2C=CC=C[C@H]2N=C(SCc2cccc3ccccc32)N1Cc1ccccc1 ZINC000103672134 560734415 /nfs/dbraw/zinc/73/44/15/560734415.db2.gz IAWGRQUAYAPHRS-BJKOFHAPSA-N 0 0 410.542 5.582 40 0 HKABRN CC(C)c1ccc(NC2=C[C@H](c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000103672142 560734568 /nfs/dbraw/zinc/73/45/68/560734568.db2.gz YLHBUQIIKYYCIG-HHHXNRCGSA-N 0 0 410.561 7.017 40 0 HKABRN CC(C)c1ccc(NC2=C[C@@H](c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000103672146 560734600 /nfs/dbraw/zinc/73/46/00/560734600.db2.gz YLHBUQIIKYYCIG-MHZLTWQESA-N 0 0 410.561 7.017 40 0 HKABRN Cc1cc(C)cc(NC2=C[C@H](c3ccc(Cl)cc3)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000103673169 560734512 /nfs/dbraw/zinc/73/45/12/560734512.db2.gz UHVPUIGXUXCXFE-RUZDIDTESA-N 0 0 416.952 6.658 40 0 HKABRN Cc1cc(C)cc(NC2=C[C@@H](c3ccc(Cl)cc3)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000103673176 560734597 /nfs/dbraw/zinc/73/45/97/560734597.db2.gz UHVPUIGXUXCXFE-VWLOTQADSA-N 0 0 416.952 6.658 40 0 HKABRN Cc1ccc(-c2cc(-c3ccccc3)c3c(N)n(-c4ccccc4)c(=S)nc3n2)cc1 ZINC000103673649 560734599 /nfs/dbraw/zinc/73/45/99/560734599.db2.gz YMSWWEYOWSSSKU-UHFFFAOYSA-N 0 0 420.541 6.205 40 0 HKABRN COC(=O)c1sc2nc(Nc3ccccc3)/c(=N/c3ccccc3)sc2c1C ZINC000103711099 560734237 /nfs/dbraw/zinc/73/42/37/560734237.db2.gz MBINCLXVPMCZDM-ATJXCDBQSA-N 0 0 407.520 5.429 40 0 HKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000103717990 560734242 /nfs/dbraw/zinc/73/42/42/560734242.db2.gz BVGHTVIBYMSLEQ-SNVBAGLBSA-N 0 0 417.214 5.004 40 0 HKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000103717993 560734253 /nfs/dbraw/zinc/73/42/53/560734253.db2.gz BVGHTVIBYMSLEQ-JTQLQIEISA-N 0 0 417.214 5.004 40 0 HKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000103718094 560734227 /nfs/dbraw/zinc/73/42/27/560734227.db2.gz XJLYUHVTNUNASG-SNVBAGLBSA-N 0 0 417.214 5.004 40 0 HKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000103718099 560734239 /nfs/dbraw/zinc/73/42/39/560734239.db2.gz XJLYUHVTNUNASG-JTQLQIEISA-N 0 0 417.214 5.004 40 0 HKABRN CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000103718342 560734316 /nfs/dbraw/zinc/73/43/16/560734316.db2.gz PKCWQOGEZOHCLH-OAHLLOKOSA-N 0 0 405.325 5.328 40 0 HKABRN CCCCc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000103718346 560734330 /nfs/dbraw/zinc/73/43/30/560734330.db2.gz PKCWQOGEZOHCLH-HNNXBMFYSA-N 0 0 405.325 5.328 40 0 HKABRN CCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000103718385 560734362 /nfs/dbraw/zinc/73/43/62/560734362.db2.gz GWTWUBOLSIOYDO-CQSZACIVSA-N 0 0 421.324 5.164 40 0 HKABRN CCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000103718388 560734356 /nfs/dbraw/zinc/73/43/56/560734356.db2.gz GWTWUBOLSIOYDO-AWEZNQCLSA-N 0 0 421.324 5.164 40 0 HKABRN CC(C)(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000103718391 560734344 /nfs/dbraw/zinc/73/43/44/560734344.db2.gz XSSQEYGRGUQBQB-CYBMUJFWSA-N 0 0 405.325 5.283 40 0 HKABRN CC(C)(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000103718394 560734357 /nfs/dbraw/zinc/73/43/57/560734357.db2.gz XSSQEYGRGUQBQB-ZDUSSCGKSA-N 0 0 405.325 5.283 40 0 HKABRN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000103718409 560734326 /nfs/dbraw/zinc/73/43/26/560734326.db2.gz QCRBXKMXICFPEF-SECBINFHSA-N 0 0 418.107 5.292 40 0 HKABRN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000103718413 560734334 /nfs/dbraw/zinc/73/43/34/560734334.db2.gz QCRBXKMXICFPEF-VIFPVBQESA-N 0 0 418.107 5.292 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000103718416 560734318 /nfs/dbraw/zinc/73/43/18/560734318.db2.gz WOBXDRXBYDSWRL-SECBINFHSA-N 0 0 418.107 5.292 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000103718419 560734348 /nfs/dbraw/zinc/73/43/48/560734348.db2.gz WOBXDRXBYDSWRL-VIFPVBQESA-N 0 0 418.107 5.292 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000103718422 560734338 /nfs/dbraw/zinc/73/43/38/560734338.db2.gz FFGUOHOZJOPHLA-SECBINFHSA-N 0 0 418.107 5.292 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000103718424 560734337 /nfs/dbraw/zinc/73/43/37/560734337.db2.gz FFGUOHOZJOPHLA-VIFPVBQESA-N 0 0 418.107 5.292 40 0 HKABRN CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000103718678 560734342 /nfs/dbraw/zinc/73/43/42/560734342.db2.gz YMXJVVHEEWDVTP-MRXNPFEDSA-N 0 0 404.432 5.040 40 0 HKABRN CCCCc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000103718680 560734324 /nfs/dbraw/zinc/73/43/24/560734324.db2.gz YMXJVVHEEWDVTP-INIZCTEOSA-N 0 0 404.432 5.040 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000103718724 560734402 /nfs/dbraw/zinc/73/44/02/560734402.db2.gz GLVWCOGYNGWGDO-SNVBAGLBSA-N 0 0 417.214 5.004 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000103718729 560734401 /nfs/dbraw/zinc/73/44/01/560734401.db2.gz GLVWCOGYNGWGDO-JTQLQIEISA-N 0 0 417.214 5.004 40 0 HKABRN Cc1ccc(NC2=C[C@H](c3cccc4ccccc43)N(c3ccc(C)cc3)C2=O)cc1 ZINC000103745271 560734529 /nfs/dbraw/zinc/73/45/29/560734529.db2.gz CQYOMZORXPWSPP-HHHXNRCGSA-N 0 0 404.513 6.541 40 0 HKABRN Cc1ccc(NC2=C[C@@H](c3cccc4ccccc43)N(c3ccc(C)cc3)C2=O)cc1 ZINC000103745277 560734591 /nfs/dbraw/zinc/73/45/91/560734591.db2.gz CQYOMZORXPWSPP-MHZLTWQESA-N 0 0 404.513 6.541 40 0 HKABRN O=C1C(Nc2ccccc2)=C[C@H](c2cccc(Br)c2)N1c1ccccc1 ZINC000103753461 560734504 /nfs/dbraw/zinc/73/45/04/560734504.db2.gz KQIFUFRWNRGQTP-OAQYLSRUSA-N 0 0 405.295 5.533 40 0 HKABRN O=C1C(Nc2ccccc2)=C[C@@H](c2cccc(Br)c2)N1c1ccccc1 ZINC000103753467 560734543 /nfs/dbraw/zinc/73/45/43/560734543.db2.gz KQIFUFRWNRGQTP-NRFANRHFSA-N 0 0 405.295 5.533 40 0 HKABRN COc1ccc([C@H]2C=C(Nc3cc(C)cc(C)c3)C(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000103753542 560734524 /nfs/dbraw/zinc/73/45/24/560734524.db2.gz LDKRXALVWIALBT-AREMUKBSSA-N 0 0 412.533 6.013 40 0 HKABRN COc1ccc([C@@H]2C=C(Nc3cc(C)cc(C)c3)C(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000103753548 560734583 /nfs/dbraw/zinc/73/45/83/560734583.db2.gz LDKRXALVWIALBT-SANMLTNESA-N 0 0 412.533 6.013 40 0 HKABRN CCc1cccc(N=C2C[C@H](c3ccc(OC)cc3)N(c3cccc(CC)c3)C2=O)c1 ZINC000103753583 560734579 /nfs/dbraw/zinc/73/45/79/560734579.db2.gz DHXVLFDNPSPPIZ-AREMUKBSSA-N 0 0 412.533 5.904 40 0 HKABRN CCc1cccc(N=C2C[C@@H](c3ccc(OC)cc3)N(c3cccc(CC)c3)C2=O)c1 ZINC000103753589 560734602 /nfs/dbraw/zinc/73/46/02/560734602.db2.gz DHXVLFDNPSPPIZ-SANMLTNESA-N 0 0 412.533 5.904 40 0 HKABRN CSc1cccc(N=C2C[C@H](c3ccccc3)N(c3cccc(SC)c3)C2=O)c1 ZINC000103753724 560734532 /nfs/dbraw/zinc/73/45/32/560734532.db2.gz BWNUZALCKBEOTH-HSZRJFAPSA-N 0 0 418.587 6.214 40 0 HKABRN CSc1cccc(N=C2C[C@@H](c3ccccc3)N(c3cccc(SC)c3)C2=O)c1 ZINC000103753728 560734630 /nfs/dbraw/zinc/73/46/30/560734630.db2.gz BWNUZALCKBEOTH-QHCPKHFHSA-N 0 0 418.587 6.214 40 0 HKABRN COc1ccc(NC2=C[C@H](c3ccccc3Cl)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000103753777 560734637 /nfs/dbraw/zinc/73/46/37/560734637.db2.gz QTMWJVVLJKKNFW-HSZRJFAPSA-N 0 0 420.896 5.441 40 0 HKABRN COc1ccc(NC2=C[C@@H](c3ccccc3Cl)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000103753783 560734672 /nfs/dbraw/zinc/73/46/72/560734672.db2.gz QTMWJVVLJKKNFW-QHCPKHFHSA-N 0 0 420.896 5.441 40 0 HKABRN Cc1ccc([C@@H]2C=C(Nc3ccc(C(C)C)cc3)C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000103768064 560734645 /nfs/dbraw/zinc/73/46/45/560734645.db2.gz ZMQOGHLJIGPYPK-NDEPHWFRSA-N 0 0 424.588 7.326 40 0 HKABRN Cc1ccc([C@H]2C=C(Nc3ccc(C(C)C)cc3)C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000103768071 560734625 /nfs/dbraw/zinc/73/46/25/560734625.db2.gz ZMQOGHLJIGPYPK-MUUNZHRXSA-N 0 0 424.588 7.326 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@@H](C)SCc2ccccc2)sc2c1CCCC2 ZINC000103795361 560734594 /nfs/dbraw/zinc/73/45/94/560734594.db2.gz IKZKAVPOJGQDAV-CQSZACIVSA-N 0 0 403.569 5.064 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@H](C)SCc2ccccc2)sc2c1CCCC2 ZINC000103795367 560734559 /nfs/dbraw/zinc/73/45/59/560734559.db2.gz IKZKAVPOJGQDAV-AWEZNQCLSA-N 0 0 403.569 5.064 40 0 HKABRN Cc1ccc2nc(/N=c3/cc(-c4ccccc4)oc4ccc(Cl)cc43)sc2c1 ZINC000103927666 560735010 /nfs/dbraw/zinc/73/50/10/560735010.db2.gz ZXRWVGXALUQFIE-XHPQRKPJSA-N 0 0 402.906 6.904 40 0 HKABRN CCCC[C@H]1C=C[C@@H](/C=C\CCCCCCCC(=O)OCC)[C@@H](C(=O)OCC)C1 ZINC000104042760 559157474 /nfs/dbraw/zinc/15/74/74/559157474.db2.gz NLAFICQBKVFFEV-SRFNBEMJSA-N 0 0 406.607 6.398 40 0 HKABRN CCCC[C@@H]1C=C[C@@H](/C=C\CCCCCCCC(=O)OCC)[C@@H](C(=O)OCC)C1 ZINC000104042766 559157495 /nfs/dbraw/zinc/15/74/95/559157495.db2.gz NLAFICQBKVFFEV-XSYAEDRMSA-N 0 0 406.607 6.398 40 0 HKABRN CCCC/C=C\[C@H]1C=C[C@@H](CCCCCCCC(=O)OCC)[C@@H](C(=O)OCC)C1 ZINC000104044532 559157472 /nfs/dbraw/zinc/15/74/72/559157472.db2.gz MGASPNORXQCYDN-DKUDGFGBSA-N 0 0 406.607 6.398 40 0 HKABRN Brc1ccc2c(c1)-c1cc(Br)ccc1C2c1ccccc1 ZINC000104057641 559157631 /nfs/dbraw/zinc/15/76/31/559157631.db2.gz KGZFMGCHOJVKRR-UHFFFAOYSA-N 0 0 400.113 6.372 40 0 HKABRN c1ccc(C2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1 ZINC000104086359 559157850 /nfs/dbraw/zinc/15/78/50/559157850.db2.gz JZNPLAAXCSMWAW-UHFFFAOYSA-N 0 0 408.544 7.563 40 0 HKABRN OC(c1ccccc1)(c1ccccc1)[C@@H]1/C(=C\c2ccccc2)[C@@H]1Cc1ccccc1 ZINC000104095588 559157921 /nfs/dbraw/zinc/15/79/21/559157921.db2.gz FLLRDUYIVVAICX-ICVNALTISA-N 0 0 402.537 6.495 40 0 HKABRN OC(c1ccccc1)(c1ccccc1)[C@@H]1/C(=C\c2ccccc2)[C@H]1Cc1ccccc1 ZINC000104095592 559157952 /nfs/dbraw/zinc/15/79/52/559157952.db2.gz FLLRDUYIVVAICX-KJQAZJBFSA-N 0 0 402.537 6.495 40 0 HKABRN BrC12c3ccccc3C(Br)(c3ccccc31)c1ccccc12 ZINC000104104934 559158045 /nfs/dbraw/zinc/15/80/45/559158045.db2.gz CNDDGRGWKZZDNC-UHFFFAOYSA-N 0 0 412.124 5.687 40 0 HKABRN ClC12C3c4ccccc4C(c4ccccc43)C1C1c3ccccc3C2c2ccccc21 ZINC000104105346 559158067 /nfs/dbraw/zinc/15/80/67/559158067.db2.gz ANZGJWACUMIXHG-UHFFFAOYSA-N 0 0 416.951 7.162 40 0 HKABRN C(CCC(C1CCCCC1)C1CCCCC1)CC(C1CCCCC1)C1CCCCC1 ZINC000104127687 559158302 /nfs/dbraw/zinc/15/83/02/559158302.db2.gz VSAQRYVOTNSXBL-UHFFFAOYSA-N 0 0 414.762 10.100 40 0 HKABRN O=C(/C=C/c1ccccc1)N(C(=O)/C=C/c1ccccc1)C(=O)/C=C\c1ccccc1 ZINC000104128535 559158275 /nfs/dbraw/zinc/15/82/75/559158275.db2.gz GGOUTAXSTICLOM-FVVRQCOHSA-N 0 0 407.469 5.008 40 0 HKABRN c1ccc(C2=C(c3ccccc3)C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1 ZINC000104132501 559158391 /nfs/dbraw/zinc/15/83/91/559158391.db2.gz AIYCGPFWOAQAMV-UHFFFAOYSA-N 0 0 420.555 7.994 40 0 HKABRN Cc1c2c(c(-c3ccccc3)cc1-c1ccccc1)[C@@H](c1ccccc1)c1ccccc1-2 ZINC000104140233 559158417 /nfs/dbraw/zinc/15/84/17/559158417.db2.gz QDHNWEUICOBIFG-HKBQPEDESA-N 0 0 408.544 8.490 40 0 HKABRN Cc1c2c(c(-c3ccccc3)cc1-c1ccccc1)[C@H](c1ccccc1)c1ccccc1-2 ZINC000104140237 559158453 /nfs/dbraw/zinc/15/84/53/559158453.db2.gz QDHNWEUICOBIFG-WJOKGBTCSA-N 0 0 408.544 8.490 40 0 HKABRN Nc1ccccc1S[C@H]1CC(=O)N(c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O ZINC000104159301 559158620 /nfs/dbraw/zinc/15/86/20/559158620.db2.gz MWPQUTVJKRUCHQ-FQEVSTJZSA-N 0 0 424.909 5.139 40 0 HKABRN c1ccc(/N=c2/n(-c3ccccc3)nc(Nc3ccccc3)n2-c2ccccc2)cc1 ZINC000104173178 559158683 /nfs/dbraw/zinc/15/86/83/559158683.db2.gz STYFIGFBSHZRBK-BYCLXTJYSA-N 0 0 403.489 5.639 40 0 HKABRN CCCCc1cc(-c2ccc(C)cc2)c(CCCC)c2c1-c1cccc3cccc-2c13 ZINC000104212828 559159156 /nfs/dbraw/zinc/15/91/56/559159156.db2.gz OWIMTTVSKJDJKG-UHFFFAOYSA-N 0 0 404.597 9.148 40 0 HKABRN CCCc1cc(-c2cccc3ccccc32)c(CCC)c2c1-c1cccc3cccc-2c13 ZINC000104212836 559159147 /nfs/dbraw/zinc/15/91/47/559159147.db2.gz FQVHXERPFHMCKQ-UHFFFAOYSA-N 0 0 412.576 9.212 40 0 HKABRN CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 ZINC000104231571 559159367 /nfs/dbraw/zinc/15/93/67/559159367.db2.gz RKGCNEBPXZICQX-QHCPKHFHSA-N 0 0 423.582 5.540 40 0 HKABRN CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 ZINC000104231577 559159330 /nfs/dbraw/zinc/15/93/30/559159330.db2.gz RKGCNEBPXZICQX-HSZRJFAPSA-N 0 0 423.582 5.540 40 0 HKABRN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1ccccc1 ZINC000104231808 559159323 /nfs/dbraw/zinc/15/93/23/559159323.db2.gz USHSTEKEJKWRIH-VWLOTQADSA-N 0 0 413.477 5.548 40 0 HKABRN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1ccccc1 ZINC000104231817 559159311 /nfs/dbraw/zinc/15/93/11/559159311.db2.gz USHSTEKEJKWRIH-RUZDIDTESA-N 0 0 413.477 5.548 40 0 HKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1F)[C@H]2c1ccco1 ZINC000104232047 559159318 /nfs/dbraw/zinc/15/93/18/559159318.db2.gz WFTKVKZYVIVVQV-VWLOTQADSA-N 0 0 416.496 6.885 40 0 HKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1F)[C@@H]2c1ccco1 ZINC000104232051 559159353 /nfs/dbraw/zinc/15/93/53/559159353.db2.gz WFTKVKZYVIVVQV-RUZDIDTESA-N 0 0 416.496 6.885 40 0 HKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1cccc(F)c1)[C@H]2c1ccco1 ZINC000104232061 559159322 /nfs/dbraw/zinc/15/93/22/559159322.db2.gz JTCQRFNJVVBDOF-VWLOTQADSA-N 0 0 416.496 6.885 40 0 HKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1cccc(F)c1)[C@@H]2c1ccco1 ZINC000104232066 559159369 /nfs/dbraw/zinc/15/93/69/559159369.db2.gz JTCQRFNJVVBDOF-RUZDIDTESA-N 0 0 416.496 6.885 40 0 HKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccc(F)cc1)[C@H]2c1ccco1 ZINC000104232071 559159320 /nfs/dbraw/zinc/15/93/20/559159320.db2.gz SCPMKOOFCVHTLS-VWLOTQADSA-N 0 0 416.496 6.885 40 0 HKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccc(F)cc1)[C@@H]2c1ccco1 ZINC000104232076 559159371 /nfs/dbraw/zinc/15/93/71/559159371.db2.gz SCPMKOOFCVHTLS-RUZDIDTESA-N 0 0 416.496 6.885 40 0 HKABRN Cc1cccc(CN2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccco2)c1 ZINC000104232091 559159368 /nfs/dbraw/zinc/15/93/68/559159368.db2.gz JRUOQZJNJIRUEG-SANMLTNESA-N 0 0 412.533 7.054 40 0 HKABRN Cc1cccc(CN2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccco2)c1 ZINC000104232097 559159314 /nfs/dbraw/zinc/15/93/14/559159314.db2.gz JRUOQZJNJIRUEG-AREMUKBSSA-N 0 0 412.533 7.054 40 0 HKABRN OC1c2nc3ccccc3nc2O[C@@H]1c1c[nH]c2ccc(COc3ccccc3)cc21 ZINC000104240454 559159392 /nfs/dbraw/zinc/15/93/92/559159392.db2.gz ZXHOCCGMGRZRJK-XMMPIXPASA-N 0 0 409.445 5.744 40 0 HKABRN OC1c2nc3ccccc3nc2O[C@H]1c1c[nH]c2ccc(COc3ccccc3)cc21 ZINC000104240458 559159400 /nfs/dbraw/zinc/15/94/00/559159400.db2.gz ZXHOCCGMGRZRJK-DEOSSOPVSA-N 0 0 409.445 5.744 40 0 HKABRN CCCCCC[C@H](O)C/C=C\CCCCCCC(C(=O)OC)=C(O)C(=O)OCC ZINC000104284023 559159865 /nfs/dbraw/zinc/15/98/65/559159865.db2.gz UHLSVUAQNIGZDA-MXGXYSSWSA-N 0 0 412.567 5.153 40 0 HKABRN CCCCCC[C@H](O)C/C=C\CCCCCCC(C(=O)OC)=C(O)C(=O)OCC ZINC000104284030 559159884 /nfs/dbraw/zinc/15/98/84/559159884.db2.gz UHLSVUAQNIGZDA-OVKFFJRASA-N 0 0 412.567 5.153 40 0 HKABRN CCCCCC[C@H](O)C/C=C/CCCCCCC(C(=O)OC)=C(O)C(=O)OCC ZINC000104284035 559159861 /nfs/dbraw/zinc/15/98/61/559159861.db2.gz UHLSVUAQNIGZDA-JSECSXMSSA-N 0 0 412.567 5.153 40 0 HKABRN CC(C)=C1[C@H]2c3ccccc3[C@@H]1[C@@]1(Cl)C(Cl)=C(Cl)S(=O)(=O)[C@]21Cl ZINC000104294190 560735554 /nfs/dbraw/zinc/73/55/54/560735554.db2.gz XUKZDNARABUSEA-UAXWRAGISA-N 0 0 410.149 5.205 40 0 HKABRN CNC(=O)CC[C@@]1(C)[C@@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@H]2CC[C@@H]1O ZINC000104303570 559160140 /nfs/dbraw/zinc/16/01/40/559160140.db2.gz NQHLWIQKUHZEBA-KZULOBMKSA-N 0 0 419.694 6.195 40 0 HKABRN CNC(=O)CC[C@@]1(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@H]3[C@H]2CC[C@@H]1O ZINC000104303574 559160150 /nfs/dbraw/zinc/16/01/50/559160150.db2.gz NQHLWIQKUHZEBA-CITQGJNRSA-N 0 0 419.694 6.195 40 0 HKABRN CC[NH+](CC)CCCC(=O)C=C([O-])c1cc(-c2ccccc2)nc2cc(Cl)ccc21 ZINC000104321000 559160315 /nfs/dbraw/zinc/16/03/15/559160315.db2.gz JHRYPRLWOXTSGN-UHFFFAOYSA-N 0 0 422.956 5.819 40 0 HKABRN Cc1cccc(C(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c1 ZINC000104340204 559160549 /nfs/dbraw/zinc/16/05/49/559160549.db2.gz LESODKSUJMNYTG-UHFFFAOYSA-N 0 0 410.560 8.509 40 0 HKABRN CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc(Cl)c1O ZINC000104354497 569352651 /nfs/dbraw/zinc/35/26/51/569352651.db2.gz PIZGAWLJHKEAQJ-UHFFFAOYSA-N 0 0 404.919 5.068 40 0 HKABRN Clc1ccccc1[C@@H](c1ccccc1)[C@@H](c1ccccc1)c1ccccc1Cl ZINC000104385681 559160858 /nfs/dbraw/zinc/16/08/58/559160858.db2.gz MATSURWGMAEFEN-WMPKNSHKSA-N 0 0 403.352 7.957 40 0 HKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000104632581 559161394 /nfs/dbraw/zinc/16/13/94/559161394.db2.gz WHFLVAOSAAWMKU-MOHJPFBDSA-N 0 0 424.456 5.482 40 0 HKABRN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000104728309 560736978 /nfs/dbraw/zinc/73/69/78/560736978.db2.gz FORUKOSNQXWJNS-LJQANCHMSA-N 0 0 413.304 5.493 40 0 HKABRN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000104728311 560737073 /nfs/dbraw/zinc/73/70/73/560737073.db2.gz FORUKOSNQXWJNS-IBGZPJMESA-N 0 0 413.304 5.493 40 0 HKABRN COc1ccc([C@@H]2C(=O)c3ccccc3N2C(=O)c2ccc(Br)cc2)cc1 ZINC000104849733 559161772 /nfs/dbraw/zinc/16/17/72/559161772.db2.gz JSDSVALWVILERD-HXUWFJFHSA-N 0 0 422.278 5.042 40 0 HKABRN CCOC(=O)c1c(NC(=O)Cc2ccc(-c3ccccc3)cc2)sc2c1CCCC2 ZINC000105446499 559162863 /nfs/dbraw/zinc/16/28/63/559162863.db2.gz CUTVEDNCLDRGHO-UHFFFAOYSA-N 0 0 419.546 5.652 40 0 HKABRN Cc1ccc(N[C@@H]2C[C@H](C)N(C(=O)c3ccc(Cl)cc3)c3cc(C)ccc32)cc1 ZINC000105513235 560738476 /nfs/dbraw/zinc/73/84/76/560738476.db2.gz CPLDFEAZZPSMOQ-FDDCHVKYSA-N 0 0 404.941 6.549 40 0 HKABRN Cc1ccc(-c2nnc(NC(=O)CSCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000105550622 559162930 /nfs/dbraw/zinc/16/29/30/559162930.db2.gz OPKFTPFMBFCVEU-UHFFFAOYSA-N 0 0 424.378 5.692 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccccc2)s1 ZINC000105550626 559162972 /nfs/dbraw/zinc/16/29/72/559162972.db2.gz KPBAYHSKVMEYSH-UHFFFAOYSA-N 0 0 410.351 5.384 40 0 HKABRN CCCSc1nnc(NC(=O)CSCc2ccc(Cl)cc2Cl)s1 ZINC000105550629 559162901 /nfs/dbraw/zinc/16/29/01/559162901.db2.gz JCHWGILFQLGECH-UHFFFAOYSA-N 0 0 408.401 5.219 40 0 HKABRN CC1(C)CC(=O)C(C(c2cccc3ccccc32)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000105591122 559162958 /nfs/dbraw/zinc/16/29/58/559162958.db2.gz 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Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4cccc(C)c4)C3=O)o2)cc1 ZINC000106706958 560745576 /nfs/dbraw/zinc/74/55/76/560745576.db2.gz CTGCFYWJXGDQRN-MOSHPQCFSA-N 0 0 421.543 6.284 40 0 HKABRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCC(C)C ZINC000106707096 560745615 /nfs/dbraw/zinc/74/56/15/560745615.db2.gz RQOAAVHZCVFIFG-MTJSOVHGSA-N 0 0 411.523 5.275 40 0 HKABRN CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000106707110 560745594 /nfs/dbraw/zinc/74/55/94/560745594.db2.gz QPYIBSQRJFXPHU-STZFKDTASA-N 0 0 411.523 5.419 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000106707113 560745580 /nfs/dbraw/zinc/74/55/80/560745580.db2.gz APERMTNZOQYEDM-RDPIHGLISA-N 0 0 411.523 5.417 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000106707116 560745612 /nfs/dbraw/zinc/74/56/12/560745612.db2.gz APERMTNZOQYEDM-JHDSZEHQSA-N 0 0 411.523 5.417 40 0 HKABRN CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCC ZINC000106707125 560745596 /nfs/dbraw/zinc/74/55/96/560745596.db2.gz XHMPLOCQOJEHIZ-STZFKDTASA-N 0 0 411.523 5.419 40 0 HKABRN CCOc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OC(F)F ZINC000106707568 560745602 /nfs/dbraw/zinc/74/56/02/560745602.db2.gz ADVWHNCEGQRAEV-WQRHYEAKSA-N 0 0 419.449 5.232 40 0 HKABRN CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2cccc(C)c2)C1=O ZINC000106707755 560745622 /nfs/dbraw/zinc/74/56/22/560745622.db2.gz SYYVANGENFSJHJ-HAHDFKILSA-N 0 0 417.530 6.174 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC ZINC000106707778 560745614 /nfs/dbraw/zinc/74/56/14/560745614.db2.gz VGUXHYHYSWRCNR-RDPIHGLISA-N 0 0 411.523 5.417 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC ZINC000106707781 560745586 /nfs/dbraw/zinc/74/55/86/560745586.db2.gz VGUXHYHYSWRCNR-JHDSZEHQSA-N 0 0 411.523 5.417 40 0 HKABRN CCCOc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OCC ZINC000106707799 560745607 /nfs/dbraw/zinc/74/56/07/560745607.db2.gz UABJXXZFKQFTIY-STZFKDTASA-N 0 0 411.523 5.419 40 0 HKABRN COc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCC(C)C ZINC000106708077 560745662 /nfs/dbraw/zinc/74/56/62/560745662.db2.gz MEOLSLWUGRFWJK-MTJSOVHGSA-N 0 0 411.523 5.275 40 0 HKABRN CCCCOc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC ZINC000106708079 560745637 /nfs/dbraw/zinc/74/56/37/560745637.db2.gz CKHURNBPFOUNLD-STZFKDTASA-N 0 0 411.523 5.419 40 0 HKABRN COc1ccc2ccc(OC)c(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)c2c1 ZINC000106708869 560745655 /nfs/dbraw/zinc/74/56/55/560745655.db2.gz LFGMNSOIQGXRPU-XKZIYDEJSA-N 0 0 419.502 5.402 40 0 HKABRN Cc1cccc(CN2C(=O)S/C(=C\c3ccc(Sc4ccccc4)o3)C2=O)c1 ZINC000106708910 560745684 /nfs/dbraw/zinc/74/56/84/560745684.db2.gz MVOIVVDPBMIGTB-UYRXBGFRSA-N 0 0 407.516 5.976 40 0 HKABRN CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000106712078 560745682 /nfs/dbraw/zinc/74/56/82/560745682.db2.gz BXRSVKYVDXPJGE-ZDLGFXPLSA-N 0 0 422.333 6.017 40 0 HKABRN CCOc1cccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c1 ZINC000106712095 560745639 /nfs/dbraw/zinc/74/56/39/560745639.db2.gz WQHWNMIRXALITO-YVLHZVERSA-N 0 0 408.306 5.629 40 0 HKABRN CC(C)Oc1ccccc1/C=C1\SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000106712149 560745656 /nfs/dbraw/zinc/74/56/56/560745656.db2.gz NXWAFNDNNRTBPR-ZDLGFXPLSA-N 0 0 422.333 6.017 40 0 HKABRN O=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000106712809 560745650 /nfs/dbraw/zinc/74/56/50/560745650.db2.gz UDTSIHKZCKRYDF-CHHVJCJISA-N 0 0 416.688 6.022 40 0 HKABRN O=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000106715282 560745669 /nfs/dbraw/zinc/74/56/69/560745669.db2.gz HCNJEUDJNSIZKA-CHHVJCJISA-N 0 0 416.688 6.022 40 0 HKABRN CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000106715509 560745640 /nfs/dbraw/zinc/74/56/40/560745640.db2.gz CYLBQCQCAUAPTF-ZDLGFXPLSA-N 0 0 422.333 6.017 40 0 HKABRN CC(C)Oc1ccccc1/C=C1\SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000106715647 560745647 /nfs/dbraw/zinc/74/56/47/560745647.db2.gz GTPPMLNBJIBROW-ZDLGFXPLSA-N 0 0 422.333 6.017 40 0 HKABRN CCOc1cccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000106715676 560745645 /nfs/dbraw/zinc/74/56/45/560745645.db2.gz SMJNIZNCVXGOOU-YVLHZVERSA-N 0 0 408.306 5.629 40 0 HKABRN CCCOc1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000106717615 560745642 /nfs/dbraw/zinc/74/56/42/560745642.db2.gz WEYXFLKDYRFJPB-WQRHYEAKSA-N 0 0 422.333 6.019 40 0 HKABRN CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000106717666 560745676 /nfs/dbraw/zinc/74/56/76/560745676.db2.gz UMEDSRPEWGEQJQ-MFOYZWKCSA-N 0 0 421.305 5.188 40 0 HKABRN CCc1cccc2c(/C=C3\SC(=O)N(Cc4cccc5ccccc54)C3=O)c[nH]c21 ZINC000106718401 560745775 /nfs/dbraw/zinc/74/57/75/560745775.db2.gz GPGSYDVSUSBZQA-XKZIYDEJSA-N 0 0 412.514 6.120 40 0 HKABRN Cc1c(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)c2ccccc2n1C ZINC000106718625 560745793 /nfs/dbraw/zinc/74/57/93/560745793.db2.gz SOFZNVXVZAFSAM-UCQKPKSFSA-N 0 0 412.514 5.876 40 0 HKABRN CCCCOc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000106718780 560745816 /nfs/dbraw/zinc/74/58/16/560745816.db2.gz SWZSOMZDTHQHLQ-KQWNVCNZSA-N 0 0 417.530 6.255 40 0 HKABRN O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1cccc2ccccc21 ZINC000106718808 560745788 /nfs/dbraw/zinc/74/57/88/560745788.db2.gz JVWKKVUSTOMALL-UNOMPAQXSA-N 0 0 413.420 6.095 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000106718824 560745813 /nfs/dbraw/zinc/74/58/13/560745813.db2.gz PCZHBAZAZMYIDD-XMSCMFJESA-N 0 0 417.530 6.254 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000106718827 560745822 /nfs/dbraw/zinc/74/58/22/560745822.db2.gz PCZHBAZAZMYIDD-XYLCRUHJSA-N 0 0 417.530 6.254 40 0 HKABRN CCCOc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000106720080 560745790 /nfs/dbraw/zinc/74/57/90/560745790.db2.gz WAJVPIBMCIAVAY-JCMHNJIXSA-N 0 0 403.503 5.865 40 0 HKABRN CCn1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)c2ccccc21 ZINC000106720225 560745815 /nfs/dbraw/zinc/74/58/15/560745815.db2.gz VYMUCEBWFHKDTB-UCQKPKSFSA-N 0 0 412.514 6.051 40 0 HKABRN CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000106720344 560745818 /nfs/dbraw/zinc/74/58/18/560745818.db2.gz LXLKUAPWDDDODM-UCQKPKSFSA-N 0 0 417.530 6.111 40 0 HKABRN CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000106720424 560745785 /nfs/dbraw/zinc/74/57/85/560745785.db2.gz MWMLBVSSRHKMTG-HMAPJEAMSA-N 0 0 403.503 5.864 40 0 HKABRN CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000106721015 560745823 /nfs/dbraw/zinc/74/58/23/560745823.db2.gz VWQAOOIUOAMJSS-WQRHYEAKSA-N 0 0 422.333 6.019 40 0 HKABRN O=C1S/C(=C\c2cc(Cl)ccc2O)C(=O)N1Cc1ccc(Br)cc1 ZINC000106721939 560745819 /nfs/dbraw/zinc/74/58/19/560745819.db2.gz PAUCHEZOTFJSCS-NVNXTCNLSA-N 0 0 424.703 5.045 40 0 HKABRN O=C1S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000106722277 560745802 /nfs/dbraw/zinc/74/58/02/560745802.db2.gz MHUADZPFMQOHAV-NVNXTCNLSA-N 0 0 424.703 5.045 40 0 HKABRN CCc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000106722431 560745821 /nfs/dbraw/zinc/74/58/21/560745821.db2.gz OEAKLHRHCCNGQO-BOPFTXTBSA-N 0 0 402.313 5.248 40 0 HKABRN CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccc(Br)cc2)C1=O ZINC000106722804 560745761 /nfs/dbraw/zinc/74/57/61/560745761.db2.gz DKXQPMBQTBTLLJ-BOPFTXTBSA-N 0 0 418.312 5.084 40 0 HKABRN CCOc1cccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c1 ZINC000106723003 560745783 /nfs/dbraw/zinc/74/57/83/560745783.db2.gz AYKXGGSOXKTDIN-BOPFTXTBSA-N 0 0 418.312 5.084 40 0 HKABRN O=C1S/C(=C\c2c[nH]c3ccccc23)C(=O)N1Cc1ccc(Br)cc1 ZINC000106724458 560745811 /nfs/dbraw/zinc/74/58/11/560745811.db2.gz JDCXBFZKLCDFCS-MFOYZWKCSA-N 0 0 413.296 5.167 40 0 HKABRN O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000106724669 560745817 /nfs/dbraw/zinc/74/58/17/560745817.db2.gz YIPPRCHABRZDGQ-DHDCSXOGSA-N 0 0 408.704 5.339 40 0 HKABRN CC(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000106724978 560745764 /nfs/dbraw/zinc/74/57/64/560745764.db2.gz IRBFORZBLBVRQH-WQRHYEAKSA-N 0 0 416.340 5.809 40 0 HKABRN O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1cccc2ccccc21 ZINC000106725503 560745809 /nfs/dbraw/zinc/74/58/09/560745809.db2.gz TXFBTADRSUKYGW-HAHDFKILSA-N 0 0 411.482 6.336 40 0 HKABRN CCc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc1 ZINC000106725736 560745758 /nfs/dbraw/zinc/74/57/58/560745758.db2.gz UKVGRYGTWGZACL-BOPFTXTBSA-N 0 0 402.313 5.248 40 0 HKABRN CCn1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c1C ZINC000106732237 560745871 /nfs/dbraw/zinc/74/58/71/560745871.db2.gz JWDACJXFANFVCC-YVLHZVERSA-N 0 0 419.344 5.124 40 0 HKABRN O=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1Cc1ccc(F)cc1Cl ZINC000106733029 560745840 /nfs/dbraw/zinc/74/58/40/560745840.db2.gz ZGOLRIAHYBFMQS-CHHVJCJISA-N 0 0 400.233 5.508 40 0 HKABRN CC(C)Oc1ccccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2Cl)C1=O ZINC000106733296 560745888 /nfs/dbraw/zinc/74/58/88/560745888.db2.gz KUXNQFVFPBTHDI-NVMNQCDNSA-N 0 0 405.878 5.503 40 0 HKABRN O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000106733531 560745833 /nfs/dbraw/zinc/74/58/33/560745833.db2.gz MMLXYGDDOHBQSQ-ODLFYWEKSA-N 0 0 413.857 5.976 40 0 HKABRN CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 ZINC000106733564 560745886 /nfs/dbraw/zinc/74/58/86/560745886.db2.gz UFMGHDOUIAQMEV-OCKHKDLRSA-N 0 0 419.905 5.750 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 ZINC000106733791 560745880 /nfs/dbraw/zinc/74/58/80/560745880.db2.gz SDSZJARSKWQJGO-XTBHVRTMSA-N 0 0 419.905 5.893 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 ZINC000106733793 560745891 /nfs/dbraw/zinc/74/58/91/560745891.db2.gz SDSZJARSKWQJGO-GJUHEBOISA-N 0 0 419.905 5.893 40 0 HKABRN CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 ZINC000106733882 560745837 /nfs/dbraw/zinc/74/58/37/560745837.db2.gz HLYMARTZGBNAJR-ODLFYWEKSA-N 0 0 419.905 5.895 40 0 HKABRN CCn1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c2ccccc21 ZINC000106733901 560745873 /nfs/dbraw/zinc/74/58/73/560745873.db2.gz VTPBJVMKKLXKRG-OCKHKDLRSA-N 0 0 414.889 5.690 40 0 HKABRN O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000106734472 560745894 /nfs/dbraw/zinc/74/58/94/560745894.db2.gz QIKDFFZSHROUMV-CHHVJCJISA-N 0 0 415.795 5.734 40 0 HKABRN O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1c(F)cccc1Cl ZINC000106735306 560745829 /nfs/dbraw/zinc/74/58/29/560745829.db2.gz RJYGZXKGZPREPW-NVNXTCNLSA-N 0 0 415.795 5.734 40 0 HKABRN CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 ZINC000106736807 560745878 /nfs/dbraw/zinc/74/58/78/560745878.db2.gz RJOWZUHUPPJHSM-ZDLGFXPLSA-N 0 0 405.878 5.503 40 0 HKABRN CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 ZINC000106736887 560745834 /nfs/dbraw/zinc/74/58/34/560745834.db2.gz IOFJIKRXPDXCMW-GRSHGNNSSA-N 0 0 419.905 5.750 40 0 HKABRN CC(C)Oc1ccccc1/C=C1\SC(=O)N(Cc2c(F)cccc2Cl)C1=O ZINC000106739813 560745981 /nfs/dbraw/zinc/74/59/81/560745981.db2.gz BGJCWKDOECWSEV-ZDLGFXPLSA-N 0 0 405.878 5.503 40 0 HKABRN Cc1c(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c2ccccc2n1C ZINC000106740571 560746018 /nfs/dbraw/zinc/74/60/18/560746018.db2.gz HKIGQKHRWXPHHV-GRSHGNNSSA-N 0 0 414.889 5.516 40 0 HKABRN O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1c(F)cccc1Cl ZINC000106741063 560745983 /nfs/dbraw/zinc/74/59/83/560745983.db2.gz DCNHWYBLYLDCGN-ODLFYWEKSA-N 0 0 413.857 5.976 40 0 HKABRN CCn1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c2ccccc21 ZINC000106741470 560745986 /nfs/dbraw/zinc/74/59/86/560745986.db2.gz ZWUUAKXCYQALRG-GRSHGNNSSA-N 0 0 414.889 5.690 40 0 HKABRN CCCCOc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 ZINC000106741572 560745959 /nfs/dbraw/zinc/74/59/59/560745959.db2.gz YTTUBVJJQQRIAM-UNOMPAQXSA-N 0 0 419.905 5.895 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 ZINC000106741608 560745968 /nfs/dbraw/zinc/74/59/68/560745968.db2.gz YKVXASFDVIVBHN-LPXFMOJISA-N 0 0 419.905 5.893 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 ZINC000106741610 560745970 /nfs/dbraw/zinc/74/59/70/560745970.db2.gz YKVXASFDVIVBHN-JFENUBAZSA-N 0 0 419.905 5.893 40 0 HKABRN CCCOc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 ZINC000106741862 560746014 /nfs/dbraw/zinc/74/60/14/560746014.db2.gz LXJCOYJEEGEHAS-WQRHYEAKSA-N 0 0 405.878 5.504 40 0 HKABRN CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CCOc2ccccc2)C1=O ZINC000106764601 560746157 /nfs/dbraw/zinc/74/61/57/560746157.db2.gz ZOOOVVDRUYQKTH-JWGURIENSA-N 0 0 419.502 5.354 40 0 HKABRN CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(CCOc2ccc(C)cc2)C1=O ZINC000106781113 560746259 /nfs/dbraw/zinc/74/62/59/560746259.db2.gz LLQJHJJVNCYXOW-UYRXBGFRSA-N 0 0 417.914 5.162 40 0 HKABRN Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000106781287 560746269 /nfs/dbraw/zinc/74/62/69/560746269.db2.gz NZXHZJLLUKDKPE-YVLHZVERSA-N 0 0 408.306 5.417 40 0 HKABRN COc1ccc2ccccc2c1/C=C1\SC(=O)N(CCOc2ccc(C)cc2)C1=O ZINC000106782051 560746283 /nfs/dbraw/zinc/74/62/83/560746283.db2.gz FCHVQKSUWBBNBG-JCMHNJIXSA-N 0 0 419.502 5.272 40 0 HKABRN Brc1ccc(-c2ccc(CNc3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000106951587 571317911 /nfs/dbraw/zinc/31/79/11/571317911.db2.gz WJSGWOUZRHEXBT-UHFFFAOYSA-N 0 0 413.315 5.158 40 0 HKABRN Fc1ccc(COc2ccc3ccccc3c2CNc2ccc(F)c(Cl)c2)cc1 ZINC000106955795 560746383 /nfs/dbraw/zinc/74/63/83/560746383.db2.gz YVJNUIVWRMJBMZ-UHFFFAOYSA-N 0 0 409.863 6.963 40 0 HKABRN Fc1ccc(NCc2c(OCc3ccccc3F)ccc3ccccc32)cc1Cl ZINC000106955886 560746399 /nfs/dbraw/zinc/74/63/99/560746399.db2.gz MHASQBZGJZMLBG-UHFFFAOYSA-N 0 0 409.863 6.963 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Br)c1OC ZINC000106956466 560746420 /nfs/dbraw/zinc/74/64/20/560746420.db2.gz JRWVANPIDOBCLY-UHFFFAOYSA-N 0 0 405.119 5.775 40 0 HKABRN CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Br)c1OCC ZINC000106956519 560746419 /nfs/dbraw/zinc/74/64/19/560746419.db2.gz FPNHOWWOJBLEIX-UHFFFAOYSA-N 0 0 402.691 5.651 40 0 HKABRN CCOc1cc(CNc2ccc(Br)cc2)cc(Br)c1OC ZINC000106956679 560746415 /nfs/dbraw/zinc/74/64/15/560746415.db2.gz OPPDZMORQXSRNC-UHFFFAOYSA-N 0 0 415.125 5.231 40 0 HKABRN CCOc1c(Br)cc(CNc2ccc(Cl)c(Cl)c2)cc1OC ZINC000106956974 560746476 /nfs/dbraw/zinc/74/64/76/560746476.db2.gz SMJMXRJYBIFTIH-UHFFFAOYSA-N 0 0 405.119 5.775 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Br)c1OCC ZINC000106957019 560746455 /nfs/dbraw/zinc/74/64/55/560746455.db2.gz VNSRBZJSNDKCEZ-UHFFFAOYSA-N 0 0 419.146 6.165 40 0 HKABRN COc1cc(CNc2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 ZINC000106959843 560746601 /nfs/dbraw/zinc/74/66/01/560746601.db2.gz XMHJITSQQBSRBH-UHFFFAOYSA-N 0 0 412.327 5.957 40 0 HKABRN COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 ZINC000106960379 560746611 /nfs/dbraw/zinc/74/66/11/560746611.db2.gz SPHRCPHDTSUDLT-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(Cl)c1 ZINC000106960618 560746668 /nfs/dbraw/zinc/74/66/68/560746668.db2.gz NJQAKBADWQWYMK-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN CCCOc1c(Br)cc(CNc2ccc(C)cc2)cc1Br ZINC000106964379 560747062 /nfs/dbraw/zinc/74/70/62/560747062.db2.gz KBWLKIXTIIQYRF-UHFFFAOYSA-N 0 0 413.153 5.921 40 0 HKABRN CCCOc1c(Br)cc(CNc2ccc(F)cc2)cc1Br ZINC000106965004 560747056 /nfs/dbraw/zinc/74/70/56/560747056.db2.gz QMFHACRCCNXXBO-UHFFFAOYSA-N 0 0 417.116 5.752 40 0 HKABRN Clc1ccc(NCc2c(OCc3ccccc3)ccc3ccccc32)c(Cl)c1 ZINC000106970694 560747044 /nfs/dbraw/zinc/74/70/44/560747044.db2.gz IGXYYTJYIGTSMV-UHFFFAOYSA-N 0 0 408.328 7.338 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccccc1 ZINC000106970729 560747088 /nfs/dbraw/zinc/74/70/88/560747088.db2.gz PEXDVIYBVFOILC-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN Cc1ccc(NCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1Cl ZINC000106970778 560747104 /nfs/dbraw/zinc/74/71/04/560747104.db2.gz ZWJHWBXWKIMCSA-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1ccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1Cl ZINC000106970912 560747080 /nfs/dbraw/zinc/74/70/80/560747080.db2.gz GTYLCXYCEVDUGV-UHFFFAOYSA-N 0 0 422.355 7.646 40 0 HKABRN COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1cccc(Cl)c1 ZINC000106971006 560747092 /nfs/dbraw/zinc/74/70/92/560747092.db2.gz VKLADSCSFRYVRV-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN COc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000106971088 560747096 /nfs/dbraw/zinc/74/70/96/560747096.db2.gz DQDXZQGXBFIKBH-UHFFFAOYSA-N 0 0 420.311 6.641 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(Br)c1OC ZINC000106971113 560747049 /nfs/dbraw/zinc/74/70/49/560747049.db2.gz UKJZJZCMHOGENA-UHFFFAOYSA-N 0 0 405.119 5.775 40 0 HKABRN COc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1F ZINC000106971199 560747075 /nfs/dbraw/zinc/74/70/75/560747075.db2.gz PEBCKBKQIFPZJP-UHFFFAOYSA-N 0 0 420.311 6.641 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 ZINC000106971298 560747052 /nfs/dbraw/zinc/74/70/52/560747052.db2.gz UAYADKCVHUWFQI-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN CCOc1c(Br)cc(CNc2ccc(Cl)cc2Cl)cc1OC ZINC000106971354 560747083 /nfs/dbraw/zinc/74/70/83/560747083.db2.gz SSJUTNRQXQKHLM-UHFFFAOYSA-N 0 0 405.119 5.775 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1 ZINC000106971375 560747065 /nfs/dbraw/zinc/74/70/65/560747065.db2.gz ZHJCMZGIWCZULA-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 ZINC000106971429 560747038 /nfs/dbraw/zinc/74/70/38/560747038.db2.gz FPGYNOOERITYEY-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1Cl ZINC000106971452 560747098 /nfs/dbraw/zinc/74/70/98/560747098.db2.gz UELGPLZZUGXVGF-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl ZINC000106971516 560747059 /nfs/dbraw/zinc/74/70/59/560747059.db2.gz BKUIKYAORFINBI-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1Cl ZINC000106971560 560747054 /nfs/dbraw/zinc/74/70/54/560747054.db2.gz UWYINGGNIFCYCR-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1Cl ZINC000106971614 560747094 /nfs/dbraw/zinc/74/70/94/560747094.db2.gz RDVFCMMXVUZEPF-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(Br)c1OCC ZINC000106971642 560747100 /nfs/dbraw/zinc/74/71/00/560747100.db2.gz LXBBEIXGTYKETI-UHFFFAOYSA-N 0 0 419.146 6.165 40 0 HKABRN CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1 ZINC000106971726 560747090 /nfs/dbraw/zinc/74/70/90/560747090.db2.gz MHYXPGQUMIZFAS-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccc(F)cc1 ZINC000106971807 560747079 /nfs/dbraw/zinc/74/70/79/560747079.db2.gz KJDDGZOIFFOFNL-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN Cc1ccc(NCc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl ZINC000106971816 560747085 /nfs/dbraw/zinc/74/70/85/560747085.db2.gz YUWNEVRCBRISLZ-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Fc1ccc(COc2ccc(Cl)cc2CNc2ccc(Cl)cc2Cl)cc1 ZINC000106971827 560747077 /nfs/dbraw/zinc/74/70/77/560747077.db2.gz KKWIZRFLNHWXOX-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN Fc1ccccc1COc1ccc(Cl)cc1CNc1ccc(Cl)cc1Cl ZINC000106971920 560747149 /nfs/dbraw/zinc/74/71/49/560747149.db2.gz RZLKTASKPUHAIU-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 ZINC000106971978 560747156 /nfs/dbraw/zinc/74/71/56/560747156.db2.gz IPBABBQEPZFREE-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1F ZINC000106971996 560747150 /nfs/dbraw/zinc/74/71/50/560747150.db2.gz JIEUSHZOGCLGSY-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1 ZINC000106972086 560747170 /nfs/dbraw/zinc/74/71/70/560747170.db2.gz FFYJQIKDXBEDRK-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl ZINC000106972092 560747147 /nfs/dbraw/zinc/74/71/47/560747147.db2.gz ICIPSAMQIAFGDD-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN Cc1ccc(NCc2c(OCc3ccccc3F)ccc3ccccc32)cc1Cl ZINC000106972130 560747154 /nfs/dbraw/zinc/74/71/54/560747154.db2.gz JOOJFLQRZWPHAL-UHFFFAOYSA-N 0 0 405.900 7.132 40 0 HKABRN COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1Cl ZINC000106972191 560747162 /nfs/dbraw/zinc/74/71/62/560747162.db2.gz GOWDBFNFKHNNHD-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1Cl ZINC000106972274 560747173 /nfs/dbraw/zinc/74/71/73/560747173.db2.gz BOTLGOPXSPUOPR-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN COc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1 ZINC000106972309 560747141 /nfs/dbraw/zinc/74/71/41/560747141.db2.gz NXGCUOKCOYAQTQ-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN Cc1ccc(NCc2c(OCc3ccc(F)cc3)ccc3ccccc32)cc1Cl ZINC000106972315 560747168 /nfs/dbraw/zinc/74/71/68/560747168.db2.gz GWAILUCCXXPDKV-UHFFFAOYSA-N 0 0 405.900 7.132 40 0 HKABRN CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000106973881 560747165 /nfs/dbraw/zinc/74/71/65/560747165.db2.gz JLFHQLJKPKOMDK-UHFFFAOYSA-N 0 0 411.929 6.247 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 ZINC000106974041 560747163 /nfs/dbraw/zinc/74/71/63/560747163.db2.gz BOKRQRXOOYZWRK-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN Cc1ccc(COc2ccc3ccccc3c2CNc2ccc(F)c(Cl)c2)cc1 ZINC000106974144 560747148 /nfs/dbraw/zinc/74/71/48/560747148.db2.gz ZGGDULWKVBNFEN-UHFFFAOYSA-N 0 0 405.900 7.132 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1 ZINC000106974159 560747146 /nfs/dbraw/zinc/74/71/46/560747146.db2.gz WQPNNZOMCCLKNH-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN COc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(C)cc2)cc1 ZINC000106974515 560747166 /nfs/dbraw/zinc/74/71/66/560747166.db2.gz JYPHKNUORYYNSG-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN Cc1ccc(COc2ccc(Br)cc2CNc2ccc(Cl)cc2)cc1 ZINC000106974539 560747157 /nfs/dbraw/zinc/74/71/57/560747157.db2.gz STLMUFBTIXJLEL-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Cc1ccc(COc2c(Cl)cc(Cl)cc2CNc2ccc(C)c(C)c2)cc1 ZINC000106974602 560747143 /nfs/dbraw/zinc/74/71/43/560747143.db2.gz XETOGSNNLQGCRW-UHFFFAOYSA-N 0 0 400.349 7.110 40 0 HKABRN COc1ccc(NCc2cc(Br)ccc2OCc2ccc(C)cc2)cc1 ZINC000106974634 560747167 /nfs/dbraw/zinc/74/71/67/560747167.db2.gz FRJQZOVILNSTPE-UHFFFAOYSA-N 0 0 412.327 5.957 40 0 HKABRN Cc1ccc(COc2c(Cl)cc(Cl)cc2CNc2ccc(C)c(Cl)c2)cc1 ZINC000106974697 560747297 /nfs/dbraw/zinc/74/72/97/560747297.db2.gz XMJQMVBHORKLLF-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN Cc1ccc(COc2ccc(Br)cc2CNc2ccc(C)c(C)c2)cc1 ZINC000106974713 560747259 /nfs/dbraw/zinc/74/72/59/560747259.db2.gz YCRQYTBNTKZPKC-UHFFFAOYSA-N 0 0 410.355 6.565 40 0 HKABRN Cc1ccc(COc2ccc(Br)cc2CNc2ccc(F)cc2)cc1 ZINC000106974984 560747306 /nfs/dbraw/zinc/74/73/06/560747306.db2.gz LJGQYEFEAHTFEO-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN Cc1ccc(COc2ccc3ccccc3c2CNc2ccc(Cl)c(Cl)c2)cc1 ZINC000106975059 560747315 /nfs/dbraw/zinc/74/73/15/560747315.db2.gz ZHFMBWDEYGGYIX-UHFFFAOYSA-N 0 0 422.355 7.646 40 0 HKABRN COc1cc(CNc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000106975138 560747308 /nfs/dbraw/zinc/74/73/08/560747308.db2.gz ACUQRGBIFAKLHB-UHFFFAOYSA-N 0 0 412.327 5.957 40 0 HKABRN Cc1ccc(COc2ccc3ccccc3c2CNc2ccc(C)c(Cl)c2)cc1 ZINC000106975167 560747245 /nfs/dbraw/zinc/74/72/45/560747245.db2.gz WMLYILWVNSXUSC-UHFFFAOYSA-N 0 0 401.937 7.301 40 0 HKABRN Cc1ccc(COc2ccc3ccccc3c2CNc2ccc(Cl)cc2Cl)cc1 ZINC000106975261 560747296 /nfs/dbraw/zinc/74/72/96/560747296.db2.gz WFHJWZQMVHNEGW-UHFFFAOYSA-N 0 0 422.355 7.646 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000106975296 560747264 /nfs/dbraw/zinc/74/72/64/560747264.db2.gz ANJWGYKJJZXMSL-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN Clc1cccc(COc2ccc(CNc3ccc(Br)cc3)cc2)c1 ZINC000106977044 560747300 /nfs/dbraw/zinc/74/73/00/560747300.db2.gz QCFGHTXCVFWUDJ-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN Clc1ccc(NCc2ccc(OCc3ccccc3)c(Br)c2)cc1 ZINC000106978689 560747317 /nfs/dbraw/zinc/74/73/17/560747317.db2.gz OUPMSRDDBBJCIX-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN Fc1ccc(NCc2ccc(OCc3ccccc3)c(Br)c2)cc1Cl ZINC000106979531 560747268 /nfs/dbraw/zinc/74/72/68/560747268.db2.gz SUCLEGVCLGADLF-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3ccccc3)c(Br)c2)cc1Cl ZINC000106979640 560747266 /nfs/dbraw/zinc/74/72/66/560747266.db2.gz SKKRANJJUITTOJ-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Clc1cc(CNc2ccc(Br)cc2)ccc1OCc1ccccc1 ZINC000106979960 560747303 /nfs/dbraw/zinc/74/73/03/560747303.db2.gz SEGZGWKYVBYHAJ-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN CCOc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000106982147 560747290 /nfs/dbraw/zinc/74/72/90/560747290.db2.gz ZKRDOMYLKSTREF-UHFFFAOYSA-N 0 0 409.957 6.855 40 0 HKABRN Clc1ccc(COc2ccc(CNc3ccccc3)cc2Br)cc1 ZINC000106982289 560747254 /nfs/dbraw/zinc/74/72/54/560747254.db2.gz OZBSBZRAFFRPCA-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 ZINC000106982294 560747283 /nfs/dbraw/zinc/74/72/83/560747283.db2.gz YOBKSQKEPDYDAJ-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000106982473 560747273 /nfs/dbraw/zinc/74/72/73/560747273.db2.gz OQWOVYZDKXVETC-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN COc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000106982608 560747262 /nfs/dbraw/zinc/74/72/62/560747262.db2.gz CWZMLUSLJJSRCW-UHFFFAOYSA-N 0 0 416.348 6.810 40 0 HKABRN Cc1ccc(COc2ccc(Cl)cc2CNc2ccc(Br)cc2)cc1 ZINC000106982946 560747310 /nfs/dbraw/zinc/74/73/10/560747310.db2.gz XBPSKMAXUDICPI-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Fc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 ZINC000106982973 560747312 /nfs/dbraw/zinc/74/73/12/560747312.db2.gz AXWKYQKAQXQIEO-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN Cc1ccc(COc2ccc(Cl)cc2CNc2ccc(Cl)c(Cl)c2)cc1 ZINC000106983065 560747257 /nfs/dbraw/zinc/74/72/57/560747257.db2.gz DQIYLBJJJIRKDQ-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1ccc(COc2ccc(Cl)cc2CNc2ccc(Cl)cc2Cl)cc1 ZINC000106983078 560747292 /nfs/dbraw/zinc/74/72/92/560747292.db2.gz LRCIMWVEUOQDKQ-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000106983211 560747271 /nfs/dbraw/zinc/74/72/71/560747271.db2.gz JHBIZBTVVNIPKH-UHFFFAOYSA-N 0 0 420.311 6.641 40 0 HKABRN Fc1ccc(NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1Cl ZINC000106983592 560747294 /nfs/dbraw/zinc/74/72/94/560747294.db2.gz VDSAGKGAEPSOMH-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN Cc1ccc(NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1Cl ZINC000106983721 560747314 /nfs/dbraw/zinc/74/73/14/560747314.db2.gz AXKRRBHGSZTLSC-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN COc1cc(CNc2ccc(F)c(Cl)c2)cc(Br)c1OC(C)C ZINC000106989573 560747369 /nfs/dbraw/zinc/74/73/69/560747369.db2.gz LDTGUWSOCATILM-UHFFFAOYSA-N 0 0 402.691 5.650 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2Cl)cc(Br)c1OC(C)C ZINC000106989710 560747359 /nfs/dbraw/zinc/74/73/59/560747359.db2.gz BBMCWGAYOPIFGP-UHFFFAOYSA-N 0 0 419.146 6.164 40 0 HKABRN CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Br)c1OC(C)C ZINC000106990815 560747386 /nfs/dbraw/zinc/74/73/86/560747386.db2.gz NHLAUNBPYOTHFA-UHFFFAOYSA-N 0 0 416.718 6.040 40 0 HKABRN CCCOc1c(Br)cc(Br)cc1CNc1ccc(C)cc1 ZINC000106993036 560747378 /nfs/dbraw/zinc/74/73/78/560747378.db2.gz QGJBQVFPXFCDQZ-UHFFFAOYSA-N 0 0 413.153 5.921 40 0 HKABRN CCCOc1c(Br)cc(CNc2ccc(F)c(Cl)c2)cc1OCC ZINC000106993356 560747366 /nfs/dbraw/zinc/74/73/66/560747366.db2.gz XWGUASYQJNUPKQ-UHFFFAOYSA-N 0 0 416.718 6.041 40 0 HKABRN CCCOc1c(Br)cc(CNc2ccc(C)c(Cl)c2)cc1OCC ZINC000106993367 560747364 /nfs/dbraw/zinc/74/73/64/560747364.db2.gz HJMFIAFWSWBANH-UHFFFAOYSA-N 0 0 412.755 6.211 40 0 HKABRN CCCOc1c(Br)cc(Br)cc1CNc1ccc(F)cc1 ZINC000106993561 560747338 /nfs/dbraw/zinc/74/73/38/560747338.db2.gz PHOFNXBFZJRLEO-UHFFFAOYSA-N 0 0 417.116 5.752 40 0 HKABRN CCCOc1c(Br)cc(CNc2ccc(Cl)c(Cl)c2)cc1OC ZINC000106993757 560747344 /nfs/dbraw/zinc/74/73/44/560747344.db2.gz SSWLEUOMZSOBFV-UHFFFAOYSA-N 0 0 419.146 6.165 40 0 HKABRN CCCOc1c(Br)cc(CNc2ccc(F)c(Cl)c2)cc1OC ZINC000106994329 560747340 /nfs/dbraw/zinc/74/73/40/560747340.db2.gz SMBLZUJDFMTZJY-UHFFFAOYSA-N 0 0 402.691 5.651 40 0 HKABRN CCCOc1c(Br)cc(CNc2ccc(Cl)cc2Cl)cc1OC ZINC000106994443 560747349 /nfs/dbraw/zinc/74/73/49/560747349.db2.gz LKSYGQSQHMREEP-UHFFFAOYSA-N 0 0 419.146 6.165 40 0 HKABRN Clc1cccc(COc2ccccc2CNc2ccc(Br)cc2)c1 ZINC000107019321 560748018 /nfs/dbraw/zinc/74/80/18/560748018.db2.gz JZXTVBBVEOHULW-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 ZINC000107023647 560748023 /nfs/dbraw/zinc/74/80/23/560748023.db2.gz BIGRNDLWHOTTFL-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN Clc1cccc(COc2cccc(CNc3ccc(Br)cc3)c2)c1 ZINC000107024270 560747996 /nfs/dbraw/zinc/74/79/96/560747996.db2.gz NXXVBANOIDQIRC-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1cccc(Cl)c1 ZINC000107024683 560748006 /nfs/dbraw/zinc/74/80/06/560748006.db2.gz SYTDVZOARQZRIE-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1cccc(Cl)c1 ZINC000107024697 560748009 /nfs/dbraw/zinc/74/80/09/560748009.db2.gz OSHOMVRCOSSWKC-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN Clc1ccc(COc2ccc(Br)cc2CNc2ccccc2)cc1 ZINC000107027094 560748011 /nfs/dbraw/zinc/74/80/11/560748011.db2.gz KSELJJRCPLSFFC-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN Cc1ccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000107027182 560748016 /nfs/dbraw/zinc/74/80/16/560748016.db2.gz NFZABTVYSWJUNV-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Fc1ccc(NCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1Cl ZINC000107027236 560747998 /nfs/dbraw/zinc/74/79/98/560747998.db2.gz KELJMVXHVJSRNY-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN Cc1ccc(NCc2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000107027301 560747994 /nfs/dbraw/zinc/74/79/94/560747994.db2.gz WBZJZWCROMWLFR-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN Fc1ccccc1COc1ccc(Br)cc1CNc1ccc(Cl)cc1 ZINC000107027304 560747995 /nfs/dbraw/zinc/74/79/95/560747995.db2.gz XHFAVDRGUGMLPI-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN Fc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl ZINC000107027407 560748027 /nfs/dbraw/zinc/74/80/27/560748027.db2.gz SZILVLHSYREWCO-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN CCOc1cc(CNc2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000107027430 560748001 /nfs/dbraw/zinc/74/80/01/560748001.db2.gz BBNXWOCXJAMSAU-UHFFFAOYSA-N 0 0 412.327 6.039 40 0 HKABRN COc1ccc(NCc2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000107027482 560748013 /nfs/dbraw/zinc/74/80/13/560748013.db2.gz XNIGRAXVBPXFFY-UHFFFAOYSA-N 0 0 416.290 5.788 40 0 HKABRN Cc1ccc(NCc2cc(Br)ccc2OCc2ccccc2F)cc1C ZINC000107027487 560748017 /nfs/dbraw/zinc/74/80/17/560748017.db2.gz DEAZODXYFCUZLE-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN COc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 ZINC000107027503 560748139 /nfs/dbraw/zinc/74/81/39/560748139.db2.gz VMJSIOJCKSBFRF-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN Fc1ccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 ZINC000107027565 560748153 /nfs/dbraw/zinc/74/81/53/560748153.db2.gz PGKBZYIOIMTRRR-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN COc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1ccccc1Cl ZINC000107027617 560748154 /nfs/dbraw/zinc/74/81/54/560748154.db2.gz OJJRHBGPZXTAMR-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN Clc1ccccc1COc1cccc(CNc2ccc(Br)cc2)c1 ZINC000107027675 560748098 /nfs/dbraw/zinc/74/80/98/560748098.db2.gz ZEFHAAMXFZHMPC-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN Cc1ccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000107027712 560748119 /nfs/dbraw/zinc/74/81/19/560748119.db2.gz URCMVYOZHWGRFP-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN Fc1ccc(COc2ccc(Br)cc2CNc2ccc(Cl)cc2)cc1 ZINC000107027716 560748151 /nfs/dbraw/zinc/74/81/51/560748151.db2.gz CWDNSTSRQXTZQC-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN Fc1ccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000107027848 560748110 /nfs/dbraw/zinc/74/81/10/560748110.db2.gz RCZQFOKDQFULOQ-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN COc1ccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000107027867 560748156 /nfs/dbraw/zinc/74/81/56/560748156.db2.gz CHHKZMOYHLQWGZ-UHFFFAOYSA-N 0 0 416.290 5.788 40 0 HKABRN Cc1ccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1C ZINC000107027871 560748104 /nfs/dbraw/zinc/74/81/04/560748104.db2.gz APBHUWVKLNCRMJ-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN Fc1ccc(NCc2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000107027987 560748142 /nfs/dbraw/zinc/74/81/42/560748142.db2.gz CKOOGWQQCZEAIH-UHFFFAOYSA-N 0 0 404.254 5.918 40 0 HKABRN Clc1ccc(NCc2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000107028309 560748111 /nfs/dbraw/zinc/74/81/11/560748111.db2.gz QSWDAEOEKOFAPR-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN Clc1ccccc1COc1ccc(Br)cc1CNc1ccccc1 ZINC000107028328 560748126 /nfs/dbraw/zinc/74/81/26/560748126.db2.gz QSPDHCRTMCVJIK-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN Cc1ccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 ZINC000107028330 560748141 /nfs/dbraw/zinc/74/81/41/560748141.db2.gz YXNBJKPGPYEEFD-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Fc1ccc(COc2ccc(Br)cc2CNc2ccc(F)cc2)cc1 ZINC000107028356 560748146 /nfs/dbraw/zinc/74/81/46/560748146.db2.gz KFKWWRBTFMKOEC-UHFFFAOYSA-N 0 0 404.254 5.918 40 0 HKABRN COc1ccc(NCc2c(OCc3cccc(Cl)c3)ccc3ccccc32)cc1 ZINC000107029284 560748113 /nfs/dbraw/zinc/74/81/13/560748113.db2.gz VUHPRDQOLVYNGW-UHFFFAOYSA-N 0 0 403.909 6.693 40 0 HKABRN Cc1ccc(NCc2c(OCc3cccc(Cl)c3)ccc3ccccc32)cc1C ZINC000107029382 560748160 /nfs/dbraw/zinc/74/81/60/560748160.db2.gz RFZWEXJQEIRCOV-UHFFFAOYSA-N 0 0 401.937 7.301 40 0 HKABRN Cc1ccc(NCc2c(OCc3cccc(Cl)c3)ccc3ccccc32)cc1Cl ZINC000107030119 560748117 /nfs/dbraw/zinc/74/81/17/560748117.db2.gz XGJYNIASJMUNOH-UHFFFAOYSA-N 0 0 422.355 7.646 40 0 HKABRN COc1cc(CNc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 ZINC000107030970 560748128 /nfs/dbraw/zinc/74/81/28/560748128.db2.gz GOJXBDSQVHFUFI-UHFFFAOYSA-N 0 0 412.327 5.957 40 0 HKABRN Clc1ccccc1COc1ccc(CNc2ccc(Br)cc2)cc1 ZINC000107030993 560748102 /nfs/dbraw/zinc/74/81/02/560748102.db2.gz JZLODUPWDOLBQE-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN Fc1ccc(NCc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1Cl ZINC000107031381 560748115 /nfs/dbraw/zinc/74/81/15/560748115.db2.gz COHOLCDGSGFQLY-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN Cc1ccc(NCc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1Cl ZINC000107031396 560748158 /nfs/dbraw/zinc/74/81/58/560748158.db2.gz MGRWIGGQZFQVPX-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CCOc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000107031864 560748148 /nfs/dbraw/zinc/74/81/48/560748148.db2.gz ZOVBCWKUAIYFSR-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN CCOc1cc(CNc2ccccc2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000107032941 560748137 /nfs/dbraw/zinc/74/81/37/560748137.db2.gz JWGIGDZGGFTFKC-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN CCOc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000107032946 560748135 /nfs/dbraw/zinc/74/81/35/560748135.db2.gz SOIVZLJQYRMXRA-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN COc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000107034993 560748124 /nfs/dbraw/zinc/74/81/24/560748124.db2.gz VKXJBKLJLMXESA-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000107035139 560748145 /nfs/dbraw/zinc/74/81/45/560748145.db2.gz ZGAQUMMJEKKJQL-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN COc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 ZINC000107035314 560748106 /nfs/dbraw/zinc/74/81/06/560748106.db2.gz ZWAINFNGJAQLGG-UHFFFAOYSA-N 0 0 418.320 6.202 40 0 HKABRN COc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000107035466 560748121 /nfs/dbraw/zinc/74/81/21/560748121.db2.gz CYJHZCZBGYPFIZ-UHFFFAOYSA-N 0 0 416.348 6.810 40 0 HKABRN COc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000107036139 560748130 /nfs/dbraw/zinc/74/81/30/560748130.db2.gz XAUIGDQYLVUAOF-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN Fc1ccc(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 ZINC000107036607 560748183 /nfs/dbraw/zinc/74/81/83/560748183.db2.gz LZBNZBVJVDIZSX-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN Clc1cccc(COc2ccc(Br)cc2CNc2ccccc2)c1 ZINC000107037575 560748193 /nfs/dbraw/zinc/74/81/93/560748193.db2.gz CZWFIBXAVKKMAQ-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN Cc1ccc(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 ZINC000107037579 560748205 /nfs/dbraw/zinc/74/82/05/560748205.db2.gz OJYLPCSZRHPWIR-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN COc1cc(CNc2ccc(F)cc2)cc(Br)c1OCc1ccccc1 ZINC000107038780 560748179 /nfs/dbraw/zinc/74/81/79/560748179.db2.gz UHTWSYUTVDQBTQ-UHFFFAOYSA-N 0 0 416.290 5.788 40 0 HKABRN Clc1ccc(OCc2ccccc2)c(CNc2ccc(Br)cc2)c1 ZINC000107038807 560748187 /nfs/dbraw/zinc/74/81/87/560748187.db2.gz PXNVSYNIXUZCFG-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN CCOc1cc(CNc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000107038934 560748192 /nfs/dbraw/zinc/74/81/92/560748192.db2.gz SDEVRJPEYBYQPO-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN Fc1ccc(COc2ccc(Cl)cc2CNc2ccc(Br)cc2)cc1 ZINC000107038957 560748180 /nfs/dbraw/zinc/74/81/80/560748180.db2.gz GNYRRDUOOFGPPF-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN Fc1ccccc1COc1ccc(Cl)cc1CNc1ccc(Br)cc1 ZINC000107039030 560748202 /nfs/dbraw/zinc/74/82/02/560748202.db2.gz RKEIACWUCWWTHV-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN Fc1ccc(COc2ccc(Cl)cc2CNc2ccc(Cl)c(Cl)c2)cc1 ZINC000107039172 560748196 /nfs/dbraw/zinc/74/81/96/560748196.db2.gz ZKCUTBHOKJUCGP-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN Fc1ccccc1COc1ccc(Cl)cc1CNc1ccc(Cl)c(Cl)c1 ZINC000107039226 560748214 /nfs/dbraw/zinc/74/82/14/560748214.db2.gz WAYZLFQVYOFPEI-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN COc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000107039361 560748182 /nfs/dbraw/zinc/74/81/82/560748182.db2.gz GNOLRTQUDLLJBO-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1C ZINC000107039584 560748209 /nfs/dbraw/zinc/74/82/09/560748209.db2.gz UWJVMTLKNMPAEK-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000107039651 560748215 /nfs/dbraw/zinc/74/82/15/560748215.db2.gz JIUKNGAGBBESPK-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Fc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1Cl ZINC000107039669 560748199 /nfs/dbraw/zinc/74/81/99/560748199.db2.gz CSJAIFXHZCKAFH-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN Fc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1Cl ZINC000107039673 560748188 /nfs/dbraw/zinc/74/81/88/560748188.db2.gz JNOSWPCQMKKCDU-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN COc1ccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000107040485 560748184 /nfs/dbraw/zinc/74/81/84/560748184.db2.gz DYIVSIFKPHBZKN-UHFFFAOYSA-N 0 0 403.909 6.693 40 0 HKABRN Cc1ccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1C ZINC000107040487 560748194 /nfs/dbraw/zinc/74/81/94/560748194.db2.gz MABRSWWYARXFCE-UHFFFAOYSA-N 0 0 401.937 7.301 40 0 HKABRN COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1 ZINC000107040534 560748204 /nfs/dbraw/zinc/74/82/04/560748204.db2.gz XPMDFRQZACMMPT-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN Clc1ccc(NCc2c(OCc3ccccc3)ccc3ccccc32)cc1Cl ZINC000107040568 560748181 /nfs/dbraw/zinc/74/81/81/560748181.db2.gz NCFRVPMRLFOWKQ-UHFFFAOYSA-N 0 0 408.328 7.338 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000107040590 560748201 /nfs/dbraw/zinc/74/82/01/560748201.db2.gz YVLRZGKDXKKMOW-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN COc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000107040593 560748178 /nfs/dbraw/zinc/74/81/78/560748178.db2.gz FGWUDCSYNUOMEL-UHFFFAOYSA-N 0 0 418.320 6.202 40 0 HKABRN Brc1ccc(NCc2c(OCc3ccccc3)ccc3ccccc32)cc1 ZINC000107040647 560748217 /nfs/dbraw/zinc/74/82/17/560748217.db2.gz BRWDOYRTRQWIBL-UHFFFAOYSA-N 0 0 418.334 6.793 40 0 HKABRN COc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000107040677 560748186 /nfs/dbraw/zinc/74/81/86/560748186.db2.gz FEQNSOMVVZTROG-UHFFFAOYSA-N 0 0 416.348 6.810 40 0 HKABRN COc1cc(CNc2ccc(Br)cc2)ccc1OCc1ccccc1F ZINC000107040997 560748190 /nfs/dbraw/zinc/74/81/90/560748190.db2.gz GSDLEQGQQMFEKH-UHFFFAOYSA-N 0 0 416.290 5.788 40 0 HKABRN Clc1ccccc1COc1ccccc1CNc1ccc(Br)cc1 ZINC000107041022 560748185 /nfs/dbraw/zinc/74/81/85/560748185.db2.gz XRMFVEOHBTZGRR-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1F ZINC000107041070 560748197 /nfs/dbraw/zinc/74/81/97/560748197.db2.gz DXECIFQMHLLMIA-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN COc1cc(CNc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000107041601 560748208 /nfs/dbraw/zinc/74/82/08/560748208.db2.gz PCQHUKYAJOELAW-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN COc1cc(CNc2ccc(Br)cc2)ccc1OCc1ccc(F)cc1 ZINC000107041635 560748211 /nfs/dbraw/zinc/74/82/11/560748211.db2.gz OKCNIYIEQMKJBM-UHFFFAOYSA-N 0 0 416.290 5.788 40 0 HKABRN CCOc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F ZINC000107041651 560748207 /nfs/dbraw/zinc/74/82/07/560748207.db2.gz OFTHJQPOWXZAIT-UHFFFAOYSA-N 0 0 403.856 6.208 40 0 HKABRN COc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000107041725 560748189 /nfs/dbraw/zinc/74/81/89/560748189.db2.gz WTCPJHADVQAAKR-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN COc1ccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000107041731 560748344 /nfs/dbraw/zinc/74/83/44/560748344.db2.gz DMPJCQGSMHGQLA-UHFFFAOYSA-N 0 0 401.865 5.687 40 0 HKABRN COc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000107041860 560748317 /nfs/dbraw/zinc/74/83/17/560748317.db2.gz VOHOYRXMSUHQDI-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccccc1F ZINC000107041872 560748304 /nfs/dbraw/zinc/74/83/04/560748304.db2.gz GKGALMSNIYLOKU-UHFFFAOYSA-N 0 0 424.274 6.471 40 0 HKABRN CCOc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000107041907 560748319 /nfs/dbraw/zinc/74/83/19/560748319.db2.gz HPGRUAWGWFXCIG-UHFFFAOYSA-N 0 0 403.856 6.208 40 0 HKABRN COc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1 ZINC000107041910 560748330 /nfs/dbraw/zinc/74/83/30/560748330.db2.gz TUWYRDPDFVFOSV-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN COc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000107042069 560748336 /nfs/dbraw/zinc/74/83/36/560748336.db2.gz MYSIVVPVOWIOAI-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F ZINC000107042138 560748294 /nfs/dbraw/zinc/74/82/94/560748294.db2.gz NMKOBPWQKYPSKE-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN COc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000107042214 560748298 /nfs/dbraw/zinc/74/82/98/560748298.db2.gz BXOWOZHTDQVZQC-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000107042227 560748321 /nfs/dbraw/zinc/74/83/21/560748321.db2.gz QIFMAHPDANUITD-UHFFFAOYSA-N 0 0 424.274 6.471 40 0 HKABRN CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1F ZINC000107042286 560748326 /nfs/dbraw/zinc/74/83/26/560748326.db2.gz PYCYRQIFRVXWMX-UHFFFAOYSA-N 0 0 415.892 6.078 40 0 HKABRN CCOc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1F ZINC000107042289 560748315 /nfs/dbraw/zinc/74/83/15/560748315.db2.gz VFWNZXRLHYOCEB-UHFFFAOYSA-N 0 0 413.920 6.686 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000107042299 560748296 /nfs/dbraw/zinc/74/82/96/560748296.db2.gz SNFSOTSIMXVLOJ-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN COc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000107042364 560748322 /nfs/dbraw/zinc/74/83/22/560748322.db2.gz HXJQNSLZKWGSGW-UHFFFAOYSA-N 0 0 418.320 6.202 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F ZINC000107042373 560748328 /nfs/dbraw/zinc/74/83/28/560748328.db2.gz PUBPDNWCUJBKBA-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccccc1 ZINC000107042435 560748334 /nfs/dbraw/zinc/74/83/34/560748334.db2.gz OBAZGHTUSDGTQB-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN COc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Cl ZINC000107042438 560748306 /nfs/dbraw/zinc/74/83/06/560748306.db2.gz MFDDOEQODOVEPL-UHFFFAOYSA-N 0 0 416.348 6.810 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000107042504 560748291 /nfs/dbraw/zinc/74/82/91/560748291.db2.gz XSVZLLMUGVKMRJ-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN COc1ccc(NCc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 ZINC000107042526 560748286 /nfs/dbraw/zinc/74/82/86/560748286.db2.gz JMZUZKSOJZYUQU-UHFFFAOYSA-N 0 0 401.865 5.687 40 0 HKABRN COc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000107042581 560748309 /nfs/dbraw/zinc/74/83/09/560748309.db2.gz UKCBAMIVEVDSCA-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000107042584 560748311 /nfs/dbraw/zinc/74/83/11/560748311.db2.gz VVOMWZJAVVTXCR-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000107042644 560748303 /nfs/dbraw/zinc/74/83/03/560748303.db2.gz VLVGOXKHVGSRGB-UHFFFAOYSA-N 0 0 415.892 6.078 40 0 HKABRN CCOc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000107042646 560748338 /nfs/dbraw/zinc/74/83/38/560748338.db2.gz LNWDEHHGBMTKAE-UHFFFAOYSA-N 0 0 413.920 6.686 40 0 HKABRN COc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000107042715 560748313 /nfs/dbraw/zinc/74/83/13/560748313.db2.gz XXIZXUROXCKXOE-UHFFFAOYSA-N 0 0 418.320 6.202 40 0 HKABRN COc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000107042719 560748301 /nfs/dbraw/zinc/74/83/01/560748301.db2.gz LFWPNFBJRDXWCS-UHFFFAOYSA-N 0 0 416.348 6.810 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000107042727 560748341 /nfs/dbraw/zinc/74/83/41/560748341.db2.gz VUHCLHZFYXTYAI-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN COc1cc(CNc2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000107042803 560748340 /nfs/dbraw/zinc/74/83/40/560748340.db2.gz XWJPRXOIUYSVFY-UHFFFAOYSA-N 0 0 416.290 5.788 40 0 HKABRN CCOc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000107042817 560748289 /nfs/dbraw/zinc/74/82/89/560748289.db2.gz HSYPLGLTRLNYCQ-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN Fc1ccc(NCc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl ZINC000107042867 560748324 /nfs/dbraw/zinc/74/83/24/560748324.db2.gz WOLYIYCIWUUXHS-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN CCOc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000107042884 560748332 /nfs/dbraw/zinc/74/83/32/560748332.db2.gz BLIMKYLNLVYACG-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN CCOc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000107042914 560748281 /nfs/dbraw/zinc/74/82/81/560748281.db2.gz HMCFYMQYKJLVSG-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 ZINC000107042926 560748385 /nfs/dbraw/zinc/74/83/85/560748385.db2.gz JIXJSBBLISDVPH-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1ccccc1Cl ZINC000107042953 560748389 /nfs/dbraw/zinc/74/83/89/560748389.db2.gz QIJZYCOJDVZQAR-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccccc1 ZINC000107042976 560748395 /nfs/dbraw/zinc/74/83/95/560748395.db2.gz XWOQFQDHAKMGIX-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN COc1cc(CNc2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000107042995 560748417 /nfs/dbraw/zinc/74/84/17/560748417.db2.gz QKCBOFHGKDZFEP-UHFFFAOYSA-N 0 0 416.290 5.788 40 0 HKABRN CCOc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000107043010 560748425 /nfs/dbraw/zinc/74/84/25/560748425.db2.gz VMDYTCPWVKYRAT-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN CCOc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000107043034 560748387 /nfs/dbraw/zinc/74/83/87/560748387.db2.gz NJUATLWNNODYRL-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1 ZINC000107043246 560748415 /nfs/dbraw/zinc/74/84/15/560748415.db2.gz OBQDDWYYIBJNPL-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN CCOc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000107043258 560748421 /nfs/dbraw/zinc/74/84/21/560748421.db2.gz ZYOFNWBQHOSULX-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN Fc1ccc(NCc2cc(Br)ccc2OCc2ccccc2)cc1Cl ZINC000107043309 560748383 /nfs/dbraw/zinc/74/83/83/560748383.db2.gz IZZHOUFFWFFLKR-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN Cc1ccc(Oc2ccc(N3C(=O)c4ccc5c6c(ccc(c64)C3=O)CC5)cc2)cc1 ZINC000107083020 560746694 /nfs/dbraw/zinc/74/66/94/560746694.db2.gz WIAXFPBRKCVSPI-UHFFFAOYSA-N 0 0 405.453 5.840 40 0 HKABRN S=C(NCCSCc1ccccc1)Nc1ccc(Br)c(Cl)c1 ZINC000107104936 559164601 /nfs/dbraw/zinc/16/46/01/559164601.db2.gz PSVOKMKITUTQCK-UHFFFAOYSA-N 0 0 415.809 5.322 40 0 HKABRN Cc1cc(NC(=S)NCc2ccc(Cl)cc2Cl)ccc1Br ZINC000107144446 559164742 /nfs/dbraw/zinc/16/47/42/559164742.db2.gz XLPNSJXGSJNIIW-UHFFFAOYSA-N 0 0 404.160 5.551 40 0 HKABRN O=C(Nc1cccc(Cl)c1)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000107181086 569381290 /nfs/dbraw/zinc/38/12/90/569381290.db2.gz SDWYWTXGPNCKPO-FGLICBMKSA-N 0 0 402.881 5.306 40 0 HKABRN S=C(NCc1ccc(Cl)cc1Cl)Nc1ccc(Br)c(Cl)c1 ZINC000107351888 559165043 /nfs/dbraw/zinc/16/50/43/559165043.db2.gz HIUTWMJHTPHZBG-UHFFFAOYSA-N 0 0 424.578 5.896 40 0 HKABRN Cc1cccc(Oc2ccc(N3C(=O)c4ccc5c6c(ccc(c64)C3=O)CC5)cc2)c1 ZINC000107363033 560749954 /nfs/dbraw/zinc/74/99/54/560749954.db2.gz CUNGSXBAWDMNRE-UHFFFAOYSA-N 0 0 405.453 5.840 40 0 HKABRN FC(F)(F)c1cc(NC(=S)NCc2ccc(Cl)cc2Cl)ccc1Cl ZINC000107397850 559165112 /nfs/dbraw/zinc/16/51/12/559165112.db2.gz GUKDTWPUSMAPHR-UHFFFAOYSA-N 0 0 413.679 6.152 40 0 HKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2C)c1 ZINC000107538609 569352719 /nfs/dbraw/zinc/35/27/19/569352719.db2.gz IOAAGNQEVJVXDV-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc4ccccc43)o2)cc1C ZINC000107546210 569352710 /nfs/dbraw/zinc/35/27/10/569352710.db2.gz NHZXKULZYISNRZ-UHFFFAOYSA-N 0 0 400.503 5.843 40 0 HKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(Cl)c1N1CCCCC1 ZINC000107555398 569352705 /nfs/dbraw/zinc/35/27/05/569352705.db2.gz WOSZCDPWZDAJDD-UHFFFAOYSA-N 0 0 413.732 5.898 40 0 HKABRN CCOc1cccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c1 ZINC000107559455 569352712 /nfs/dbraw/zinc/35/27/12/569352712.db2.gz APVISIHTUDBRMO-UHFFFAOYSA-N 0 0 419.864 5.764 40 0 HKABRN COc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000107564446 569352687 /nfs/dbraw/zinc/35/26/87/569352687.db2.gz XEQSGQKVULOPDB-UHFFFAOYSA-N 0 0 407.938 5.474 40 0 HKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2C)cc1 ZINC000107571182 569352718 /nfs/dbraw/zinc/35/27/18/569352718.db2.gz PMPBBHFWBKMNIH-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN CCOc1cc(CNc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000107580223 560750193 /nfs/dbraw/zinc/75/01/93/560750193.db2.gz PQBPAGKGZPVXBX-UHFFFAOYSA-N 0 0 420.509 5.032 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1C ZINC000107584343 569352706 /nfs/dbraw/zinc/35/27/06/569352706.db2.gz XIPDLEYGAMJQRS-UHFFFAOYSA-N 0 0 424.928 5.677 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC ZINC000107590191 560750171 /nfs/dbraw/zinc/75/01/71/560750171.db2.gz TYVOGLUMJGVRLH-UHFFFAOYSA-N 0 0 419.102 5.416 40 0 HKABRN CCOc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1cccc(F)c1 ZINC000107592932 569352672 /nfs/dbraw/zinc/35/26/72/569352672.db2.gz KSTBFAGLVUBDGC-UHFFFAOYSA-N 0 0 421.965 5.864 40 0 HKABRN CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCc1ccc(Cl)cc1 ZINC000107597951 569352743 /nfs/dbraw/zinc/35/27/43/569352743.db2.gz RVSFBWBTAOECCA-UHFFFAOYSA-N 0 0 415.990 6.255 40 0 HKABRN CCOc1cc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OC ZINC000107602482 569352739 /nfs/dbraw/zinc/35/27/39/569352739.db2.gz JQCUKMQICDFNCF-UHFFFAOYSA-N 0 0 424.880 5.454 40 0 HKABRN Cc1cccc(N(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c1C ZINC000107603731 569352782 /nfs/dbraw/zinc/35/27/82/569352782.db2.gz OBUXZHVTPNXJKA-UHFFFAOYSA-N 0 0 403.906 5.491 40 0 HKABRN CN(C)c1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000107604690 569352724 /nfs/dbraw/zinc/35/27/24/569352724.db2.gz NKNAVINHNKDKDP-UHFFFAOYSA-N 0 0 424.378 5.401 40 0 HKABRN COc1c(C)cccc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000107606959 569352731 /nfs/dbraw/zinc/35/27/31/569352731.db2.gz GXGVVEFLGXJFTH-UHFFFAOYSA-N 0 0 419.864 5.683 40 0 HKABRN CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000107614159 569352733 /nfs/dbraw/zinc/35/27/33/569352733.db2.gz ZGSDZWPTHYSLKG-UHFFFAOYSA-N 0 0 422.550 5.227 40 0 HKABRN CCOc1c(Cl)cc(C(=O)Nc2cccc(OC)c2)cc1OCc1ccccc1 ZINC000107615013 569352728 /nfs/dbraw/zinc/35/27/28/569352728.db2.gz QDEPXNVRHIUTAQ-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2C)c(C)c1 ZINC000107620818 569352748 /nfs/dbraw/zinc/35/27/48/569352748.db2.gz ZRNVFTBXGAGVBZ-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN CCOc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1ccccc1F ZINC000107625784 569352762 /nfs/dbraw/zinc/35/27/62/569352762.db2.gz NNSAKRFNIVLUCK-UHFFFAOYSA-N 0 0 421.965 5.864 40 0 HKABRN O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)Nc1cccc(Cl)c1Cl ZINC000107637704 569352768 /nfs/dbraw/zinc/35/27/68/569352768.db2.gz RFTUUCXHUGMLAY-UHFFFAOYSA-N 0 0 413.260 5.411 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000107641007 569352740 /nfs/dbraw/zinc/35/27/40/569352740.db2.gz HQWALTHSHALMRN-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN Cc1ccc(NC(=O)COc2ccc(CNc3ccccc3Cl)cc2Cl)cc1 ZINC000107643824 569352816 /nfs/dbraw/zinc/35/28/16/569352816.db2.gz LOFXYIRGZNFVKE-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN O=C(Nc1cccc(Cl)c1N1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000107645754 569352794 /nfs/dbraw/zinc/35/27/94/569352794.db2.gz ONHJLVXQEGRGPZ-UHFFFAOYSA-N 0 0 404.941 6.101 40 0 HKABRN COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000107646382 560750869 /nfs/dbraw/zinc/75/08/69/560750869.db2.gz QQMRDHIOCNHQHR-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN CCOc1cc(C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000107656984 569352801 /nfs/dbraw/zinc/35/28/01/569352801.db2.gz FASZFBWBIWTFFL-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)o2)cc1C ZINC000107657191 569352805 /nfs/dbraw/zinc/35/28/05/569352805.db2.gz YWAQBBDVVPSCKM-UHFFFAOYSA-N 0 0 424.525 7.092 40 0 HKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 ZINC000107661484 569352806 /nfs/dbraw/zinc/35/28/06/569352806.db2.gz DSTCRHXVXZXCEY-UHFFFAOYSA-N 0 0 422.956 6.149 40 0 HKABRN Cc1ccc(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000107673501 569352814 /nfs/dbraw/zinc/35/28/14/569352814.db2.gz LZWJBCGRQIJZPB-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN CCCCc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 ZINC000107678616 569352827 /nfs/dbraw/zinc/35/28/27/569352827.db2.gz HVWLJMYHGLVOEY-UHFFFAOYSA-N 0 0 406.551 6.033 40 0 HKABRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccccc1Cl ZINC000107678936 569352811 /nfs/dbraw/zinc/35/28/11/569352811.db2.gz RLPQLWIKBLLIHI-UHFFFAOYSA-N 0 0 408.354 5.111 40 0 HKABRN CCCOc1c(Br)cc(C(=O)Nc2ccc(Cl)cc2)cc1OCC ZINC000107681321 569352837 /nfs/dbraw/zinc/35/28/37/569352837.db2.gz DZOWSDJBFPAEDH-UHFFFAOYSA-N 0 0 412.711 5.542 40 0 HKABRN COc1cc(C(=S)N2CCCCC2)cc(Cl)c1OCc1ccccc1Cl ZINC000107683389 569352808 /nfs/dbraw/zinc/35/28/08/569352808.db2.gz ADUUZRLKLYLFNH-UHFFFAOYSA-N 0 0 410.366 5.742 40 0 HKABRN CCOc1cc(C(=O)Nc2cccc3ccccc32)cc(Br)c1OCC ZINC000107683703 569352791 /nfs/dbraw/zinc/35/27/91/569352791.db2.gz MQBGIHRMYFRCGM-UHFFFAOYSA-N 0 0 414.299 5.652 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc(C(F)(F)F)c3)o2)cc1C ZINC000107685907 569352796 /nfs/dbraw/zinc/35/27/96/569352796.db2.gz AESFANHEUWUPIR-UHFFFAOYSA-N 0 0 418.440 5.709 40 0 HKABRN COc1cccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000107689685 569352793 /nfs/dbraw/zinc/35/27/93/569352793.db2.gz YRRIFMCNRPVRRU-UHFFFAOYSA-N 0 0 411.335 5.344 40 0 HKABRN CCCOc1c(Br)cc(C(=O)Nc2ccc(C)cc2C)cc1OCC ZINC000107694326 569352790 /nfs/dbraw/zinc/35/27/90/569352790.db2.gz AVLASODOAGVMLE-UHFFFAOYSA-N 0 0 406.320 5.506 40 0 HKABRN COc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000107698084 569352824 /nfs/dbraw/zinc/35/28/24/569352824.db2.gz RGNHDRYJMVICMW-UHFFFAOYSA-N 0 0 424.393 5.988 40 0 HKABRN COc1ccccc1NC(=O)c1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000107698820 569352869 /nfs/dbraw/zinc/35/28/69/569352869.db2.gz ZMXAMZBXAMIJNG-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN S=C(c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)N1CCOCC1 ZINC000107700445 559165763 /nfs/dbraw/zinc/16/57/63/559165763.db2.gz OIJBSEFNNJXOBD-UHFFFAOYSA-N 0 0 416.757 5.234 40 0 HKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc2C)cc1 ZINC000107700466 569352882 /nfs/dbraw/zinc/35/28/82/569352882.db2.gz PRKAEBWGSWFLIC-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN Cc1cccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1C ZINC000107701015 569352887 /nfs/dbraw/zinc/35/28/87/569352887.db2.gz WLZXBLBWOVTAPC-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc(Cl)cc(Cl)c3)o2)cc1C ZINC000107702333 569352847 /nfs/dbraw/zinc/35/28/47/569352847.db2.gz QDHQVSXKUBQLBD-UHFFFAOYSA-N 0 0 419.333 5.997 40 0 HKABRN CCOc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(C)cc1 ZINC000107706576 569352859 /nfs/dbraw/zinc/35/28/59/569352859.db2.gz NGBDPVOKZKXZJL-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 ZINC000107712207 569352889 /nfs/dbraw/zinc/35/28/89/569352889.db2.gz XOMSPVJGIWPYOV-UHFFFAOYSA-N 0 0 419.864 5.764 40 0 HKABRN CCOc1cc(C(=S)N2CCCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000107715946 569352839 /nfs/dbraw/zinc/35/28/39/569352839.db2.gz HZBSGCYSNUTNGW-UHFFFAOYSA-N 0 0 410.366 5.742 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3nc4ccccc4s3)o2)cc1C ZINC000107717105 569352845 /nfs/dbraw/zinc/35/28/45/569352845.db2.gz SDLPRMHCUFNHJM-UHFFFAOYSA-N 0 0 407.520 5.300 40 0 HKABRN O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)Nc1cc(Cl)cc(Cl)c1 ZINC000107720609 569352883 /nfs/dbraw/zinc/35/28/83/569352883.db2.gz UPSZEMMKFCEVHW-UHFFFAOYSA-N 0 0 423.299 5.818 40 0 HKABRN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccccc1Cl ZINC000107723340 569352866 /nfs/dbraw/zinc/35/28/66/569352866.db2.gz SUADEJMTIOLNHW-UHFFFAOYSA-N 0 0 410.256 6.019 40 0 HKABRN CCn1c(SCc2ccc(C)cc2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000107724837 569352854 /nfs/dbraw/zinc/35/28/54/569352854.db2.gz MDOLLYKNSKPFJZ-HXUWFJFHSA-N 0 0 408.571 5.026 40 0 HKABRN CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000107724842 569352891 /nfs/dbraw/zinc/35/28/91/569352891.db2.gz MDOLLYKNSKPFJZ-FQEVSTJZSA-N 0 0 408.571 5.026 40 0 HKABRN COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000107730821 569352879 /nfs/dbraw/zinc/35/28/79/569352879.db2.gz ZAWYEBHEEBIUCG-UHFFFAOYSA-N 0 0 404.510 5.250 40 0 HKABRN COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000107732352 569352853 /nfs/dbraw/zinc/35/28/53/569352853.db2.gz LIJNXOPLDNEYLF-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN Cc1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2c1CCC2 ZINC000107736300 569352900 /nfs/dbraw/zinc/35/29/00/569352900.db2.gz GBZVNBBPYLVFNS-UHFFFAOYSA-N 0 0 405.548 5.195 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2C)c(C)c1 ZINC000107737671 569352938 /nfs/dbraw/zinc/35/29/38/569352938.db2.gz TZDTYZNHLOPMBC-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1ccc(CSc2nnc(-c3cc4cc(Br)ccc4o3)n2C)cc1 ZINC000107739185 569352904 /nfs/dbraw/zinc/35/29/04/569352904.db2.gz DIACAKGMKVNAEJ-UHFFFAOYSA-N 0 0 414.328 5.592 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc4cc(O)ccc43)o2)cc1C ZINC000107741310 569352944 /nfs/dbraw/zinc/35/29/44/569352944.db2.gz MQQMJGHTUFNEKY-UHFFFAOYSA-N 0 0 416.502 5.549 40 0 HKABRN Cc1cccc(NC(=O)COc2ccc(CNc3ccc(F)cc3)cc2Cl)c1C ZINC000107749622 569352903 /nfs/dbraw/zinc/35/29/03/569352903.db2.gz JIDHJBZMQTWRGR-UHFFFAOYSA-N 0 0 412.892 5.726 40 0 HKABRN O=C(NC(=S)Nc1cccc(Cl)c1)c1sc2cc(Cl)ccc2c1Cl ZINC000107753761 569352895 /nfs/dbraw/zinc/35/28/95/569352895.db2.gz ZECWJKZIHFOTDC-UHFFFAOYSA-N 0 0 415.754 5.988 40 0 HKABRN O=C(COc1ccc(CNc2cccc(Cl)c2)cc1Cl)Nc1ccccc1 ZINC000107754732 569352923 /nfs/dbraw/zinc/35/29/23/569352923.db2.gz JTOLWPRNNSRUBL-UHFFFAOYSA-N 0 0 401.293 5.623 40 0 HKABRN Cc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4ccc(C)c(C)c4)o3)sc2c1 ZINC000107758807 569352899 /nfs/dbraw/zinc/35/28/99/569352899.db2.gz MSOMOKYLQVNXRG-UHFFFAOYSA-N 0 0 421.547 5.608 40 0 HKABRN COc1ccccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000107771013 560871798 /nfs/dbraw/zinc/87/17/98/560871798.db2.gz QMSDSPUDCYUKJY-UHFFFAOYSA-N 0 0 411.335 5.344 40 0 HKABRN CC(C)c1ccc(OCc2nnc(SCc3ccc(Cl)cc3Cl)n2C)cc1 ZINC000107776087 569352957 /nfs/dbraw/zinc/35/29/57/569352957.db2.gz HYPTXWYPGYREJO-UHFFFAOYSA-N 0 0 422.381 6.117 40 0 HKABRN CCOc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1F ZINC000107793517 569352999 /nfs/dbraw/zinc/35/29/99/569352999.db2.gz NVZHXGKZNJCOKN-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)cc3n2)cc1 ZINC000107794031 569352985 /nfs/dbraw/zinc/35/29/85/569352985.db2.gz JIZFZFWGLYNTKH-UHFFFAOYSA-N 0 0 422.488 5.858 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccccc5)nc4c3)o2)cc1C ZINC000107795398 569352989 /nfs/dbraw/zinc/35/29/89/569352989.db2.gz QRLPHGLTNKESNG-UHFFFAOYSA-N 0 0 408.461 5.550 40 0 HKABRN CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000107796981 569352970 /nfs/dbraw/zinc/35/29/70/569352970.db2.gz ZMPFTVZAAKVHOI-OAHLLOKOSA-N 0 0 414.962 5.043 40 0 HKABRN CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000107796985 569352990 /nfs/dbraw/zinc/35/29/90/569352990.db2.gz ZMPFTVZAAKVHOI-HNNXBMFYSA-N 0 0 414.962 5.043 40 0 HKABRN CC(C)(C)c1cc(SCC(=O)Nc2ccc(Cl)cc2)cc(C(C)(C)C)c1O ZINC000107797446 569352974 /nfs/dbraw/zinc/35/29/74/569352974.db2.gz MENOVXBCKBSTPM-UHFFFAOYSA-N 0 0 405.991 6.371 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccccc5C)nc4c3)o2)cc1C ZINC000107797973 569352964 /nfs/dbraw/zinc/35/29/64/569352964.db2.gz RJAZTVIMNRFALG-UHFFFAOYSA-N 0 0 422.484 6.932 40 0 HKABRN CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccccc1C(C)C ZINC000107804997 569352984 /nfs/dbraw/zinc/35/29/84/569352984.db2.gz XZMISIWAGDAUCM-UHFFFAOYSA-N 0 0 424.570 5.040 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)o2)cc1C ZINC000107807655 569352963 /nfs/dbraw/zinc/35/29/63/569352963.db2.gz LDNOQFYIDYWGMZ-UHFFFAOYSA-N 0 0 410.901 5.306 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)o2)cc1C ZINC000107808232 569353007 /nfs/dbraw/zinc/35/30/07/569353007.db2.gz AECWMSPKSFGVDZ-UHFFFAOYSA-N 0 0 408.929 6.459 40 0 HKABRN CCCOC(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000107811309 569352986 /nfs/dbraw/zinc/35/29/86/569352986.db2.gz WAOFAGVVVDXYDR-UHFFFAOYSA-N 0 0 408.306 6.027 40 0 HKABRN CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000107813665 569353014 /nfs/dbraw/zinc/35/30/14/569353014.db2.gz ROXIVSXVSQJIEY-UHFFFAOYSA-N 0 0 422.550 5.227 40 0 HKABRN COc1ccc(NC(=O)c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000107823773 569352980 /nfs/dbraw/zinc/35/29/80/569352980.db2.gz NQBKJMQKXKBRQD-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccc(OCc2ccccc2)c1 ZINC000107824502 569352997 /nfs/dbraw/zinc/35/29/97/569352997.db2.gz TVUWXMZCMOWROF-UHFFFAOYSA-N 0 0 406.913 5.772 40 0 HKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1C ZINC000107825300 569352967 /nfs/dbraw/zinc/35/29/67/569352967.db2.gz QQOAUPLZOQZFNR-UHFFFAOYSA-N 0 0 422.956 6.203 40 0 HKABRN CCSc1nnc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)s1 ZINC000107826785 559165971 /nfs/dbraw/zinc/16/59/71/559165971.db2.gz XROJTIXOJPMRBH-UHFFFAOYSA-N 0 0 422.000 5.848 40 0 HKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2cccc(C)c2)cc1 ZINC000107831564 569353034 /nfs/dbraw/zinc/35/30/34/569353034.db2.gz RAZIOGBJHIYWOE-JOCHJYFZSA-N 0 0 420.534 5.342 40 0 HKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCc2cccc(C)c2)cc1 ZINC000107831567 569353048 /nfs/dbraw/zinc/35/30/48/569353048.db2.gz RAZIOGBJHIYWOE-QFIPXVFZSA-N 0 0 420.534 5.342 40 0 HKABRN CC(C)c1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000107837328 569353077 /nfs/dbraw/zinc/35/30/77/569353077.db2.gz QXNYLFNMTNQACC-UHFFFAOYSA-N 0 0 423.390 6.458 40 0 HKABRN O=C(COc1ccc(CNc2ccccc2)cc1Cl)Nc1ccc(Cl)cc1 ZINC000107838405 569353068 /nfs/dbraw/zinc/35/30/68/569353068.db2.gz NTJQMHVCUSARCJ-UHFFFAOYSA-N 0 0 401.293 5.623 40 0 HKABRN COc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 ZINC000107842105 569353039 /nfs/dbraw/zinc/35/30/39/569353039.db2.gz FAPGKIIOPGUZOT-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3c(O)ccc4ccccc43)o2)cc1C ZINC000107846457 569353042 /nfs/dbraw/zinc/35/30/42/569353042.db2.gz AWQWYGNMAPJGCF-UHFFFAOYSA-N 0 0 416.502 5.549 40 0 HKABRN CC(=O)c1cccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000107851967 569353038 /nfs/dbraw/zinc/35/30/38/569353038.db2.gz GHGDZMHBCVMNDV-UHFFFAOYSA-N 0 0 423.346 5.538 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc(Cl)c3Cl)o2)cc1C ZINC000107859824 569353061 /nfs/dbraw/zinc/35/30/61/569353061.db2.gz QBCRULSIOMJGLR-UHFFFAOYSA-N 0 0 419.333 5.997 40 0 HKABRN O=C(Sc1nnc(Cc2ccc(Cl)cc2)o1)c1ccc(Br)cc1 ZINC000107860967 569353073 /nfs/dbraw/zinc/35/30/73/569353073.db2.gz DIDADFQEHNMZIY-UHFFFAOYSA-N 0 0 409.692 5.009 40 0 HKABRN COc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1Cl ZINC000107878998 569353145 /nfs/dbraw/zinc/35/31/45/569353145.db2.gz RIJZBTVQGBEJEF-UHFFFAOYSA-N 0 0 413.732 5.898 40 0 HKABRN CCOc1cc(C(=S)N2CCCCC2)ccc1OCc1ccc2ccccc2c1 ZINC000107898863 569353149 /nfs/dbraw/zinc/35/31/49/569353149.db2.gz WVNCDYIWQVXZAC-UHFFFAOYSA-N 0 0 405.563 5.979 40 0 HKABRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OCC ZINC000107900719 569353098 /nfs/dbraw/zinc/35/30/98/569353098.db2.gz HWMOMTNFFRASPS-UHFFFAOYSA-N 0 0 402.705 6.087 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1Br ZINC000107906357 569353088 /nfs/dbraw/zinc/35/30/88/569353088.db2.gz AYTJADGTWOQSHR-UHFFFAOYSA-N 0 0 423.738 5.354 40 0 HKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(Cl)c1N1CCCC1 ZINC000107909197 569353125 /nfs/dbraw/zinc/35/31/25/569353125.db2.gz UVYSCMKBWBYSRM-UHFFFAOYSA-N 0 0 412.961 6.005 40 0 HKABRN O=C(NC(=S)Nc1ccccc1Cl)c1sc2cc(Cl)ccc2c1Cl ZINC000107911171 569353134 /nfs/dbraw/zinc/35/31/34/569353134.db2.gz JAUOUYMNIZCMLW-UHFFFAOYSA-N 0 0 415.754 5.988 40 0 HKABRN O=S(=O)(c1ccc(Cl)cc1Cl)N1[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000107917525 569353099 /nfs/dbraw/zinc/35/30/99/569353099.db2.gz OOTJAICCVADQRI-DETIRCLXSA-N 0 0 404.318 5.480 40 0 HKABRN O=S(=O)(c1ccc(Cl)cc1Cl)N1[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000107917530 569353122 /nfs/dbraw/zinc/35/31/22/569353122.db2.gz OOTJAICCVADQRI-PMACEKPBSA-N 0 0 404.318 5.480 40 0 HKABRN O=S(=O)(c1ccc(Cl)cc1Cl)N1[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000107917534 569353103 /nfs/dbraw/zinc/35/31/03/569353103.db2.gz OOTJAICCVADQRI-WOJBJXKFSA-N 0 0 404.318 5.480 40 0 HKABRN Cc1ccc(COc2c(Cl)cc(C(=S)N3CCC(C)CC3)cc2Cl)cc1 ZINC000107917900 569353114 /nfs/dbraw/zinc/35/31/14/569353114.db2.gz HYFMLJKQUXQYTD-UHFFFAOYSA-N 0 0 408.394 6.288 40 0 HKABRN COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000107920335 569353154 /nfs/dbraw/zinc/35/31/54/569353154.db2.gz QXLSEJXEYASQIO-UHFFFAOYSA-N 0 0 418.537 5.558 40 0 HKABRN CCn1c(SCc2ccc(C)cc2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000107925419 569353200 /nfs/dbraw/zinc/35/32/00/569353200.db2.gz MMGWONDZNRTUDN-OAQYLSRUSA-N 0 0 422.598 5.334 40 0 HKABRN CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000107925422 569353176 /nfs/dbraw/zinc/35/31/76/569353176.db2.gz MMGWONDZNRTUDN-NRFANRHFSA-N 0 0 422.598 5.334 40 0 HKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc2C)c1 ZINC000107925897 569353192 /nfs/dbraw/zinc/35/31/92/569353192.db2.gz LLFJGRHXHLMAFO-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1C ZINC000107931415 569353165 /nfs/dbraw/zinc/35/31/65/569353165.db2.gz ZIAGPKLXHRDJQS-UHFFFAOYSA-N 0 0 409.363 5.952 40 0 HKABRN Cc1cccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c1 ZINC000107932721 569353150 /nfs/dbraw/zinc/35/31/50/569353150.db2.gz WZMMISIXQHJOHU-UHFFFAOYSA-N 0 0 419.864 5.439 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000107933065 569353196 /nfs/dbraw/zinc/35/31/96/569353196.db2.gz YRRKAFACFXLQSZ-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN O=C(Nc1cccc(Cl)c1N1CCCC1)c1cc(Br)ccc1Cl ZINC000107934105 569353178 /nfs/dbraw/zinc/35/31/78/569353178.db2.gz BDDYIZGNGPTMKZ-UHFFFAOYSA-N 0 0 414.130 5.608 40 0 HKABRN Fc1ccc(COc2ccc(C(=S)N3CCCCC3)cc2Br)cc1 ZINC000107939081 569353190 /nfs/dbraw/zinc/35/31/90/569353190.db2.gz FZTZFFLNSKKUGO-UHFFFAOYSA-N 0 0 408.336 5.329 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5cccnc5)nc4c3)o2)cc1C ZINC000107948767 569353160 /nfs/dbraw/zinc/35/31/60/569353160.db2.gz MTEQPBJSKUXNQF-UHFFFAOYSA-N 0 0 409.445 6.019 40 0 HKABRN CCc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000107949395 569353195 /nfs/dbraw/zinc/35/31/95/569353195.db2.gz ZGHGLKYZLFLORX-UHFFFAOYSA-N 0 0 409.363 5.897 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1C ZINC000107952155 569353155 /nfs/dbraw/zinc/35/31/55/569353155.db2.gz YMFXMTFNRNRRQL-UHFFFAOYSA-N 0 0 401.963 5.074 40 0 HKABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2cccc(C)c2)cc1 ZINC000107953957 569353169 /nfs/dbraw/zinc/35/31/69/569353169.db2.gz UMPJQUFYTRREOA-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3cccc(NC(=O)c4ccco4)c3)o2)cc1C ZINC000107954344 560752064 /nfs/dbraw/zinc/75/20/64/560752064.db2.gz KGUNTDILBMCKAV-UHFFFAOYSA-N 0 0 400.434 5.661 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc(C(C)C)ccc3O)o2)cc1C ZINC000107955283 569353185 /nfs/dbraw/zinc/35/31/85/569353185.db2.gz YTDJJURHGOOMNF-UHFFFAOYSA-N 0 0 408.523 5.519 40 0 HKABRN Cc1ccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1C ZINC000107956486 569353187 /nfs/dbraw/zinc/35/31/87/569353187.db2.gz UBDWXXGDFNOIFZ-UHFFFAOYSA-N 0 0 424.460 6.411 40 0 HKABRN Cc1cccc(C)c1N(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000107959097 569353246 /nfs/dbraw/zinc/35/32/46/569353246.db2.gz YMVAOHOCDGLTPY-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)c1ccccc1 ZINC000107971175 569353249 /nfs/dbraw/zinc/35/32/49/569353249.db2.gz NRQCXCVNBZAMKK-UHFFFAOYSA-N 0 0 417.534 5.314 40 0 HKABRN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccccc1-c1ccccc1 ZINC000107975693 569353230 /nfs/dbraw/zinc/35/32/30/569353230.db2.gz SUUQJZVZMLBXFG-UHFFFAOYSA-N 0 0 406.510 6.883 40 0 HKABRN S=C(c1cc(Br)ccc1OCc1ccc(Cl)cc1)N1CCCC1 ZINC000107977598 569353239 /nfs/dbraw/zinc/35/32/39/569353239.db2.gz YFZXEHJUKSGDOP-UHFFFAOYSA-N 0 0 410.764 5.453 40 0 HKABRN CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000107977686 569353228 /nfs/dbraw/zinc/35/32/28/569353228.db2.gz UMIFTUASWCGDES-UHFFFAOYSA-N 0 0 422.550 5.227 40 0 HKABRN CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)c1ccccc1 ZINC000107977869 569353216 /nfs/dbraw/zinc/35/32/16/569353216.db2.gz NXJXBYOAMCFJHA-UHFFFAOYSA-N 0 0 409.555 5.284 40 0 HKABRN Cc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc2)cc1 ZINC000107994143 569353235 /nfs/dbraw/zinc/35/32/35/569353235.db2.gz ZBLSMCSKZVKGDP-UHFFFAOYSA-N 0 0 406.334 5.697 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(NC(=O)c4ccccc4)c(C)c3)o2)cc1C ZINC000108001977 569353255 /nfs/dbraw/zinc/35/32/55/569353255.db2.gz OWZTUIRVXRKQDV-UHFFFAOYSA-N 0 0 424.500 6.376 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)o2)cc1C ZINC000108002021 569353258 /nfs/dbraw/zinc/35/32/58/569353258.db2.gz DFZDYGKAHNTBIT-UHFFFAOYSA-N 0 0 408.457 6.624 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)cc1Cl ZINC000108006499 569353337 /nfs/dbraw/zinc/35/33/37/569353337.db2.gz CDBDMURYOULAOM-UHFFFAOYSA-N 0 0 408.354 5.029 40 0 HKABRN COc1cc(COc2c(Cl)cc(C=O)cc2Cl)ccc1OCc1ccccc1 ZINC000108008340 569353299 /nfs/dbraw/zinc/35/32/99/569353299.db2.gz JEXLOEDHCSUYTQ-UHFFFAOYSA-N 0 0 417.288 5.973 40 0 HKABRN CC1CCN(C(=S)c2ccc(OCc3cccc(F)c3)c(Br)c2)CC1 ZINC000108011560 560871922 /nfs/dbraw/zinc/87/19/22/560871922.db2.gz BTEOKUQPXNDPJD-UHFFFAOYSA-N 0 0 422.363 5.575 40 0 HKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2C)c1 ZINC000108012500 569353313 /nfs/dbraw/zinc/35/33/13/569353313.db2.gz IHBAGDSDTATUKM-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1 ZINC000108013496 569353279 /nfs/dbraw/zinc/35/32/79/569353279.db2.gz KNTXIFXNOPQUKE-QGZVFWFLSA-N 0 0 400.950 5.861 40 0 HKABRN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1 ZINC000108013499 569353320 /nfs/dbraw/zinc/35/33/20/569353320.db2.gz KNTXIFXNOPQUKE-KRWDZBQOSA-N 0 0 400.950 5.861 40 0 HKABRN CCOc1cc(C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1ccc(C)cc1 ZINC000108019034 569353281 /nfs/dbraw/zinc/35/32/81/569353281.db2.gz IGRWNEAGAKAVLF-UHFFFAOYSA-N 0 0 423.940 6.441 40 0 HKABRN COc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2)cc1OCc1ccccc1 ZINC000108021609 569353309 /nfs/dbraw/zinc/35/33/09/569353309.db2.gz QNOBEOZIDFMROZ-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN Cc1ccc(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000108023267 569353282 /nfs/dbraw/zinc/35/32/82/569353282.db2.gz LJRBQWDMDWVEKU-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN COc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1N1CCCCC1 ZINC000108023448 560871928 /nfs/dbraw/zinc/87/19/28/560871928.db2.gz SKVBJVFVFNTQMC-UHFFFAOYSA-N 0 0 423.738 5.354 40 0 HKABRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1cccc2ccccc21 ZINC000108024879 569353276 /nfs/dbraw/zinc/35/32/76/569353276.db2.gz OHXOAVGKKGRIKI-UHFFFAOYSA-N 0 0 423.969 5.610 40 0 HKABRN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000108029027 569353336 /nfs/dbraw/zinc/35/33/36/569353336.db2.gz AHEQHWWGHMLGPU-UHFFFAOYSA-N 0 0 423.900 5.702 40 0 HKABRN CCCC(=O)Nc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000108030076 569353277 /nfs/dbraw/zinc/35/32/77/569353277.db2.gz RSTPEZBLHSLKEF-UHFFFAOYSA-N 0 0 407.322 6.199 40 0 HKABRN COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000108038469 560752223 /nfs/dbraw/zinc/75/22/23/560752223.db2.gz SNSJQPFGCVUVRD-UHFFFAOYSA-N 0 0 404.510 5.250 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OCc1ccccc1 ZINC000108040466 569353286 /nfs/dbraw/zinc/35/32/86/569353286.db2.gz BHJXBZJJLFHHFM-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc3ccccc3c2)ccc1OCc1ccc(C)cc1 ZINC000108049752 569353339 /nfs/dbraw/zinc/35/33/39/569353339.db2.gz IXTVFQMRRSSVOP-UHFFFAOYSA-N 0 0 411.501 6.378 40 0 HKABRN CCOc1c(Cl)cc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000108057589 569353392 /nfs/dbraw/zinc/35/33/92/569353392.db2.gz CSYQLBZNMINKPD-UHFFFAOYSA-N 0 0 424.880 5.454 40 0 HKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccccc1OCc1ccc(F)cc1 ZINC000108064474 569353376 /nfs/dbraw/zinc/35/33/76/569353376.db2.gz QCXXWHZRLFRWBA-OAQYLSRUSA-N 0 0 424.497 5.173 40 0 HKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccccc1OCc1ccc(F)cc1 ZINC000108064479 569353340 /nfs/dbraw/zinc/35/33/40/569353340.db2.gz QCXXWHZRLFRWBA-NRFANRHFSA-N 0 0 424.497 5.173 40 0 HKABRN Cc1cc(C)cc(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000108074098 569353372 /nfs/dbraw/zinc/35/33/72/569353372.db2.gz MWERVMQICMKYGI-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN O=C(CSCc1ccc(Br)cc1)Nc1cccc(Br)c1 ZINC000108075279 569353356 /nfs/dbraw/zinc/35/33/56/569353356.db2.gz LGHNENPWRRZDMI-UHFFFAOYSA-N 0 0 415.150 5.084 40 0 HKABRN Cc1ccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000108078397 569353364 /nfs/dbraw/zinc/35/33/64/569353364.db2.gz ULYXUCXLDDNWII-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN O=C(COc1ccc(CNc2ccc(F)cc2)cc1Cl)Nc1ccccc1Cl ZINC000108080184 569353377 /nfs/dbraw/zinc/35/33/77/569353377.db2.gz HAFMTELMQOFKAW-UHFFFAOYSA-N 0 0 419.283 5.762 40 0 HKABRN Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)c3)nc2c1 ZINC000108084220 569353363 /nfs/dbraw/zinc/35/33/63/569353363.db2.gz XGAIOYYKYZTEQZ-UHFFFAOYSA-N 0 0 422.484 6.932 40 0 HKABRN CC1CCN(C(=S)c2cc(Br)ccc2OCc2ccccc2F)CC1 ZINC000108090882 569353366 /nfs/dbraw/zinc/35/33/66/569353366.db2.gz KVLZASPHQIYXEX-UHFFFAOYSA-N 0 0 422.363 5.575 40 0 HKABRN Cc1cc(Br)ccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000108094227 569353338 /nfs/dbraw/zinc/35/33/38/569353338.db2.gz AUJKKUUEOAIXSQ-UHFFFAOYSA-N 0 0 415.139 6.531 40 0 HKABRN Cc1cc(C)cc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000108114739 569353351 /nfs/dbraw/zinc/35/33/51/569353351.db2.gz HZKPHKFNMSZZHR-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)Nc1ccc(Cl)cc1Cl ZINC000108137333 569353450 /nfs/dbraw/zinc/35/34/50/569353450.db2.gz OMJLWFVMYNYOJR-UHFFFAOYSA-N 0 0 422.259 5.022 40 0 HKABRN O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccc(Cl)cc1Cl ZINC000108149148 569353448 /nfs/dbraw/zinc/35/34/48/569353448.db2.gz FXMIZMKCGYUWJT-NTUHNPAUSA-N 0 0 408.693 6.206 40 0 HKABRN COc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1ccccc1Cl ZINC000108210662 569353509 /nfs/dbraw/zinc/35/35/09/569353509.db2.gz FIVMDWJVDQKVGQ-UHFFFAOYSA-N 0 0 424.393 5.988 40 0 HKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2ccccc2F)cc1 ZINC000108224470 569353496 /nfs/dbraw/zinc/35/34/96/569353496.db2.gz BJLKTQBPRRLOET-OAQYLSRUSA-N 0 0 424.497 5.173 40 0 HKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCc2ccccc2F)cc1 ZINC000108224473 569353503 /nfs/dbraw/zinc/35/35/03/569353503.db2.gz BJLKTQBPRRLOET-NRFANRHFSA-N 0 0 424.497 5.173 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5ccccc5o4)ccc3C)o2)cc1C ZINC000108236658 569353487 /nfs/dbraw/zinc/35/34/87/569353487.db2.gz FIQOAPWVOMIYCZ-UHFFFAOYSA-N 0 0 422.484 6.932 40 0 HKABRN O=C(Oc1ccc(Cl)cc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000108238277 569353459 /nfs/dbraw/zinc/35/34/59/569353459.db2.gz IRDMRAZWUTZNOX-UHFFFAOYSA-N 0 0 416.820 6.022 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc(Cl)c1N1CCCC1 ZINC000108240585 569353461 /nfs/dbraw/zinc/35/34/61/569353461.db2.gz PUPLXUFTEHMEBZ-DHZHZOJOSA-N 0 0 420.365 5.120 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3C)o2)cc1C ZINC000108249301 569353465 /nfs/dbraw/zinc/35/34/65/569353465.db2.gz XKOBQXINPDFDTE-UHFFFAOYSA-N 0 0 422.488 5.858 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1Cl ZINC000108277834 569353609 /nfs/dbraw/zinc/35/36/09/569353609.db2.gz YNIZDXDYYFOMHX-UHFFFAOYSA-N 0 0 424.283 6.328 40 0 HKABRN CC1=C[C@H](C)[C@@H](C2OCC3(COC([C@H]4[C@@H](C)C=C(C)C[C@@H]4C)OC3)CO2)[C@H](C)C1 ZINC000108537500 559167648 /nfs/dbraw/zinc/16/76/48/559167648.db2.gz JLEHIYGUDHRGOJ-GOWROUORSA-N 0 0 404.591 5.195 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1 ZINC000108863420 559169702 /nfs/dbraw/zinc/16/97/02/559169702.db2.gz JDBSKEACNFLIAR-UHFFFAOYSA-N 0 0 408.325 5.468 40 0 HKABRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1Cl ZINC000108897670 559169798 /nfs/dbraw/zinc/16/97/98/559169798.db2.gz LKAKZVIGMRORFS-UHFFFAOYSA-N 0 0 414.716 5.342 40 0 HKABRN Cc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2cccc(C)c2)cc1 ZINC000108901315 569353623 /nfs/dbraw/zinc/35/36/23/569353623.db2.gz QDIUGICBDCTHLZ-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN O=C(NC(=S)Nc1ccc(Cl)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000108927440 569353601 /nfs/dbraw/zinc/35/36/01/569353601.db2.gz FAIKYTWTDNMANA-UHFFFAOYSA-N 0 0 415.754 5.988 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1Cl ZINC000108945271 569353584 /nfs/dbraw/zinc/35/35/84/569353584.db2.gz NBMMULAVPNDXGH-UHFFFAOYSA-N 0 0 422.381 5.419 40 0 HKABRN O=C1S/C(=C\c2cccc(OCc3ccccc3)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000108946708 569353649 /nfs/dbraw/zinc/35/36/49/569353649.db2.gz FWDTZMCOXRKDDI-STZFKDTASA-N 0 0 421.905 6.160 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)Nc3cccc(NC(=O)c4ccccc4C)c3)o2)cc1C ZINC000109023454 569353727 /nfs/dbraw/zinc/35/37/27/569353727.db2.gz IEOHGVSYBZDOKS-UHFFFAOYSA-N 0 0 424.500 6.376 40 0 HKABRN COc1c(C)cc(Br)cc1C(=O)Nc1cccc(Cl)c1N1CCCC1 ZINC000109024495 569353775 /nfs/dbraw/zinc/35/37/75/569353775.db2.gz DVDHTXZAWQPDFD-UHFFFAOYSA-N 0 0 423.738 5.272 40 0 HKABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Cl)cc3Cl)o2)cc1C ZINC000109027041 569353760 /nfs/dbraw/zinc/35/37/60/569353760.db2.gz NBPKSEBHVZNFBA-UHFFFAOYSA-N 0 0 419.333 5.997 40 0 HKABRN O=C(NC(=S)Nc1ccc(Cl)cn1)c1sc2cc(Cl)ccc2c1Cl ZINC000109031922 569353782 /nfs/dbraw/zinc/35/37/82/569353782.db2.gz QZBJFALELUMOBJ-UHFFFAOYSA-N 0 0 416.742 5.383 40 0 HKABRN O=C(NC(=S)Nc1cccc2cc(O)ccc21)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000109036079 569353697 /nfs/dbraw/zinc/35/36/97/569353697.db2.gz VMNNOMMKVPKPNG-UHFFFAOYSA-N 0 0 422.893 5.586 40 0 HKABRN C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 ZINC000109124487 560755402 /nfs/dbraw/zinc/75/54/02/560755402.db2.gz BYDWBBBCLHKVDW-NSHDSACASA-N 0 0 408.310 5.013 40 0 HKABRN C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 ZINC000109124489 560755408 /nfs/dbraw/zinc/75/54/08/560755408.db2.gz BYDWBBBCLHKVDW-LLVKDONJSA-N 0 0 408.310 5.013 40 0 HKABRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\c3ccccc3)n2-n2cnnc2)cc1 ZINC000109135536 569353694 /nfs/dbraw/zinc/35/36/94/569353694.db2.gz ZWXWWMZARITACX-PNHLSOANSA-N 0 0 409.518 5.327 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000111871362 569353891 /nfs/dbraw/zinc/35/38/91/569353891.db2.gz DNTWTNNFQWGPFS-UHFFFAOYSA-N 0 0 409.272 5.735 40 0 HKABRN CC(C)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(Br)c1 ZINC000111894417 559178226 /nfs/dbraw/zinc/17/82/26/559178226.db2.gz MIDKCTQSCPKOGB-UHFFFAOYSA-N 0 0 400.675 5.383 40 0 HKABRN Cc1cc(Br)c(Br)c(Br)c1Br ZINC000113264717 569283838 /nfs/dbraw/zinc/28/38/38/569283838.db2.gz ZHMURHNGRUXDMO-UHFFFAOYSA-N 0 0 407.725 5.045 40 0 HKABRN COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000113394896 560789214 /nfs/dbraw/zinc/78/92/14/560789214.db2.gz ZTEIIZTZBLTQHD-UHFFFAOYSA-N 0 0 404.510 5.250 40 0 HKABRN COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000113395195 560789221 /nfs/dbraw/zinc/78/92/21/560789221.db2.gz LGKNPBJEUPHWHF-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000113443624 560789491 /nfs/dbraw/zinc/78/94/91/560789491.db2.gz FSMHILWOXMLJRX-UHFFFAOYSA-N 0 0 408.473 5.162 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000113443824 560789452 /nfs/dbraw/zinc/78/94/52/560789452.db2.gz MMWVZFMYFHANOX-UHFFFAOYSA-N 0 0 424.928 5.677 40 0 HKABRN Cc1ccc(NC(=O)COc2cccc(CNc3ccc(Cl)cc3Cl)c2)cc1 ZINC000113444982 560789482 /nfs/dbraw/zinc/78/94/82/560789482.db2.gz CLCIZMIZCMILLC-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN Brc1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1 ZINC000113469473 569353862 /nfs/dbraw/zinc/35/38/62/569353862.db2.gz CXUDTGWLYIMSKM-UHFFFAOYSA-N 0 0 412.286 7.446 40 0 HKABRN O=C1NC(=O)C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)S1 ZINC000113831085 560805108 /nfs/dbraw/zinc/80/51/08/560805108.db2.gz SCCLOMOYGBUCPF-REZTVBANSA-N 0 0 403.290 5.320 40 0 HKABRN CCOc1cc(C=C2SC(=O)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000113834004 560805190 /nfs/dbraw/zinc/80/51/90/560805190.db2.gz PDMVTKYKMNGLCB-RQZCQDPDSA-N 0 0 424.305 5.295 40 0 HKABRN O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000113836047 560805389 /nfs/dbraw/zinc/80/53/89/560805389.db2.gz UPTZGQLIWGUTCQ-KGENOOAVSA-N 0 0 421.905 6.160 40 0 HKABRN O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000113836168 560805359 /nfs/dbraw/zinc/80/53/59/560805359.db2.gz SBNVWFFVRKIZJV-FYJGNVAPSA-N 0 0 421.905 6.160 40 0 HKABRN Brc1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc32)c1 ZINC000113875246 571315421 /nfs/dbraw/zinc/31/54/21/571315421.db2.gz KHPNWZVLPLJEHH-UHFFFAOYSA-N 0 0 409.326 8.090 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 ZINC000113936118 560806410 /nfs/dbraw/zinc/80/64/10/560806410.db2.gz YDMVDVBSYCXUGX-UHFFFAOYSA-N 0 0 408.523 5.172 40 0 HKABRN COc1ccc([C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000113948861 559182792 /nfs/dbraw/zinc/18/27/92/559182792.db2.gz MSUYBAIDGQHYRL-SFHVURJKSA-N 0 0 407.535 5.357 40 0 HKABRN COc1ccc([C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000113948864 559182765 /nfs/dbraw/zinc/18/27/65/559182765.db2.gz MSUYBAIDGQHYRL-GOSISDBHSA-N 0 0 407.535 5.357 40 0 HKABRN CC(C)Oc1cccc(CNC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 ZINC000113949049 559182811 /nfs/dbraw/zinc/18/28/11/559182811.db2.gz PXYTVBDFEBYLRD-UHFFFAOYSA-N 0 0 421.562 5.575 40 0 HKABRN CCOc1cccc(CNC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 ZINC000113949513 559182799 /nfs/dbraw/zinc/18/27/99/559182799.db2.gz ZJIVGUGTIBGVOT-UHFFFAOYSA-N 0 0 407.535 5.186 40 0 HKABRN CSc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000113952042 559183002 /nfs/dbraw/zinc/18/30/02/559183002.db2.gz NRBLKYJXUJOPQA-UHFFFAOYSA-N 0 0 409.382 5.566 40 0 HKABRN O=C(NCc1ccccc1Cl)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000113952285 559183013 /nfs/dbraw/zinc/18/30/13/559183013.db2.gz DWYCITAJDWORRK-UHFFFAOYSA-N 0 0 411.760 5.175 40 0 HKABRN O=C(NCc1ccccc1Cl)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000113952525 559182989 /nfs/dbraw/zinc/18/29/89/559182989.db2.gz ADCWECVAGZWHRV-UHFFFAOYSA-N 0 0 411.760 5.175 40 0 HKABRN O=C(NCc1ccccc1Cl)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000113952785 559182976 /nfs/dbraw/zinc/18/29/76/559182976.db2.gz YNLWFWHIXVMFBF-UHFFFAOYSA-N 0 0 411.760 5.175 40 0 HKABRN c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc42)-c2cccc4cccc-3c24)cc1 ZINC000113978044 569393664 /nfs/dbraw/zinc/39/36/64/569393664.db2.gz YONDEBNCTLTCRE-UHFFFAOYSA-N 0 0 404.512 8.974 40 0 HKABRN Brc1ccc(SCc2ccc(I)cc2)cc1 ZINC000115102184 560845056 /nfs/dbraw/zinc/84/50/56/560845056.db2.gz SPQUWDDTWUNHMW-UHFFFAOYSA-N 0 0 405.098 5.346 40 0 HKABRN FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cc1 ZINC000115706242 571315447 /nfs/dbraw/zinc/31/54/47/571315447.db2.gz MFXPJGJSKHZZGC-UHFFFAOYSA-N 0 0 416.834 5.833 40 0 HKABRN COC(=O)CCCCCOc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl ZINC000118088279 560876283 /nfs/dbraw/zinc/87/62/83/560876283.db2.gz FMNCZZCJRWXURF-UHFFFAOYSA-N 0 0 417.716 6.551 40 0 HKABRN Nc1c(Br)cc(Br)cc1-c1nc2ccc(Cl)cc2s1 ZINC000118717847 560868960 /nfs/dbraw/zinc/86/89/60/560868960.db2.gz VZYOPIQMXFPRKU-UHFFFAOYSA-N 0 0 418.541 5.724 40 0 HKABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)CO2 ZINC000118912445 557862313 /nfs/dbraw/zinc/86/23/13/557862313.db2.gz GMBQZIIUCVWOCD-GTGHUROTSA-N 0 0 416.646 5.794 40 0 HKABRN C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)CO2 ZINC000118912466 559204995 /nfs/dbraw/zinc/20/49/95/559204995.db2.gz GMBQZIIUCVWOCD-ZUNWIDLUSA-N 0 0 416.646 5.794 40 0 HKABRN C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)CO2 ZINC000118912467 559205021 /nfs/dbraw/zinc/20/50/21/559205021.db2.gz GMBQZIIUCVWOCD-RUCADAOXSA-N 0 0 416.646 5.794 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118912605 559205009 /nfs/dbraw/zinc/20/50/09/559205009.db2.gz JQMQKOQOLPGBBE-PKZREHDUSA-N 0 0 402.663 6.648 40 0 HKABRN CC(C)CCC[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 ZINC000118912620 559205004 /nfs/dbraw/zinc/20/50/04/559205004.db2.gz LZHRRGGNNXYJOT-OOAPZQTCSA-N 0 0 402.663 6.360 40 0 HKABRN CC(C)CCC[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 ZINC000118912621 559204992 /nfs/dbraw/zinc/20/49/92/559204992.db2.gz LZHRRGGNNXYJOT-MXADNQSASA-N 0 0 402.663 6.360 40 0 HKABRN CC(C)CCC[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 ZINC000118912622 569052280 /nfs/dbraw/zinc/05/22/80/569052280.db2.gz LZHRRGGNNXYJOT-KUXRSNICSA-N 0 0 402.663 6.360 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118912629 559204997 /nfs/dbraw/zinc/20/49/97/559204997.db2.gz YGJKELZDRWFHOR-BWSYCYESSA-N 0 0 404.679 6.584 40 0 HKABRN CC(C)CCC[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 ZINC000118912634 559205011 /nfs/dbraw/zinc/20/50/11/559205011.db2.gz YMMFNKXZULYSOQ-BZYDGCPMSA-N 0 0 420.678 5.554 40 0 HKABRN CC(C)CCC[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 ZINC000118912635 291288112 /nfs/dbraw/zinc/28/81/12/291288112.db2.gz YMMFNKXZULYSOQ-QOLWHSHMSA-N 0 0 420.678 5.554 40 0 biogenic,in-vitro HKABRN CO[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 ZINC000118912919 559205061 /nfs/dbraw/zinc/20/50/61/559205061.db2.gz RCXPTZJNVLDKKV-BTGNDISDSA-N 0 0 400.691 8.043 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913034 559205111 /nfs/dbraw/zinc/20/51/11/559205111.db2.gz SJZZRXMQSAXCFD-KEEQCGGNSA-N 0 0 418.662 5.763 40 0 in-vitro HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913035 559205071 /nfs/dbraw/zinc/20/50/71/559205071.db2.gz SJZZRXMQSAXCFD-CJITWLRWSA-N 0 0 418.662 5.763 40 0 in-vitro HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913036 559205118 /nfs/dbraw/zinc/20/51/18/559205118.db2.gz SJZZRXMQSAXCFD-CCHXTOEHSA-N 0 0 418.662 5.763 40 0 in-vitro HKABRN C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000118913217 559205107 /nfs/dbraw/zinc/20/51/07/559205107.db2.gz GMBQZIIUCVWOCD-UXFLACCZSA-N 0 0 416.646 5.794 40 0 in-vitro HKABRN C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)CO2 ZINC000118913218 559205086 /nfs/dbraw/zinc/20/50/86/559205086.db2.gz GMBQZIIUCVWOCD-IZRQUEKYSA-N 0 0 416.646 5.794 40 0 in-vitro HKABRN C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)CO2 ZINC000118913219 559205097 /nfs/dbraw/zinc/20/50/97/559205097.db2.gz GMBQZIIUCVWOCD-IKSKCRHHSA-N 0 0 416.646 5.794 40 0 in-vitro HKABRN C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)CO2 ZINC000118913233 559205089 /nfs/dbraw/zinc/20/50/89/559205089.db2.gz WQLVFSAGQJTQCK-JCUATARGSA-N 0 0 414.630 5.714 40 0 HKABRN C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)CO2 ZINC000118913234 559205115 /nfs/dbraw/zinc/20/51/15/559205115.db2.gz WQLVFSAGQJTQCK-XPMUQOCRSA-N 0 0 414.630 5.714 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913251 559205084 /nfs/dbraw/zinc/20/50/84/559205084.db2.gz JQMQKOQOLPGBBE-PPBVAIQYSA-N 0 0 402.663 6.648 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913252 559205104 /nfs/dbraw/zinc/20/51/04/559205104.db2.gz JQMQKOQOLPGBBE-FFMHOPAISA-N 0 0 402.663 6.648 40 0 HKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@]5(C)CCC(=O)O5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118913411 559205190 /nfs/dbraw/zinc/20/51/90/559205190.db2.gz ZSUHSKYVVTXINZ-WAEJGYNTSA-N 0 0 414.586 5.593 40 0 HKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@]5(C)CCC(=O)O5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118913412 559205204 /nfs/dbraw/zinc/20/52/04/559205204.db2.gz ZSUHSKYVVTXINZ-LHEXKVJUSA-N 0 0 414.586 5.593 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1Cl)[C@@H]2O ZINC000118913482 559205197 /nfs/dbraw/zinc/20/51/97/559205197.db2.gz XRVKATFJHJNMOP-VTFSRSTISA-N 0 0 413.001 6.018 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1Cl)[C@@H]2O ZINC000118913483 559205199 /nfs/dbraw/zinc/20/51/99/559205199.db2.gz XRVKATFJHJNMOP-XTFVAHALSA-N 0 0 413.001 6.018 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1Cl)[C@H]2O ZINC000118913484 559205205 /nfs/dbraw/zinc/20/52/05/559205205.db2.gz XRVKATFJHJNMOP-UBIJDMMBSA-N 0 0 413.001 6.018 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1Cl)[C@H]2O ZINC000118913485 559205191 /nfs/dbraw/zinc/20/51/91/559205191.db2.gz XRVKATFJHJNMOP-IALSGACSSA-N 0 0 413.001 6.018 40 0 HKABRN CC(C)CC[C@H](O)[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 ZINC000118913526 558842693 /nfs/dbraw/zinc/84/26/93/558842693.db2.gz RZPAXNJLEKLXNO-XWXSNNQWSA-N 0 0 402.663 6.360 40 0 in-vitro HKABRN CC(C)CC[C@@H](O)[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 ZINC000118913527 569052270 /nfs/dbraw/zinc/05/22/70/569052270.db2.gz RZPAXNJLEKLXNO-RNCHBCSGSA-N 0 0 402.663 6.360 40 0 in-vitro HKABRN CC(C)CCC[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 ZINC000118913591 560869653 /nfs/dbraw/zinc/86/96/53/560869653.db2.gz YEYCQJVCAMFWCO-FVEYCNCKSA-N 0 0 414.674 7.569 40 0 HKABRN CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913688 569284963 /nfs/dbraw/zinc/28/49/63/569284963.db2.gz CPTCHGRDJMOIJZ-JBQSTXLYSA-N 0 0 400.691 8.406 40 0 HKABRN CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913689 569284961 /nfs/dbraw/zinc/28/49/61/569284961.db2.gz CPTCHGRDJMOIJZ-HJQQVSFMSA-N 0 0 400.691 8.406 40 0 HKABRN CC[C@H](CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118913776 559205192 /nfs/dbraw/zinc/20/51/92/559205192.db2.gz LGJMUZUPVCAVPU-QHCWSYHRSA-N 0 0 416.734 8.105 40 0 in-vitro HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913862 291288091 /nfs/dbraw/zinc/28/80/91/291288091.db2.gz AYXDXVGGAIDTQI-LCBRTSMASA-N 0 0 402.663 6.792 40 0 biogenic,in-vitro HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913874 291288128 /nfs/dbraw/zinc/28/81/28/291288128.db2.gz HKHHYUSFWJROEJ-DZYTUMHFSA-N 0 0 404.679 6.584 40 0 biogenic,in-vitro HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913875 291288050 /nfs/dbraw/zinc/28/80/50/291288050.db2.gz HKHHYUSFWJROEJ-MLJTXFIHSA-N 0 0 404.679 6.584 40 0 biogenic,in-vitro HKABRN CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118913878 291292420 /nfs/dbraw/zinc/29/24/20/291292420.db2.gz CSVWWLUMXNHWSU-VKFLXODOSA-N 0 0 414.718 7.881 40 0 biogenic,in-vitro HKABRN CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118913879 291292951 /nfs/dbraw/zinc/29/29/51/291292951.db2.gz CSVWWLUMXNHWSU-NNAKJMJASA-N 0 0 414.718 7.881 40 0 biogenic,in-vitro HKABRN CC[C@@H](/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118913880 291292405 /nfs/dbraw/zinc/29/24/05/291292405.db2.gz CSVWWLUMXNHWSU-RUBVBRFZSA-N 0 0 414.718 7.881 40 0 biogenic,in-vitro HKABRN CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118913881 291292949 /nfs/dbraw/zinc/29/29/49/291292949.db2.gz CSVWWLUMXNHWSU-AAFKTUFTSA-N 0 0 414.718 7.881 40 0 biogenic,in-vitro HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](O)CC[C@]5(C)[C@H]3CC[C@]12C ZINC000118914067 560869644 /nfs/dbraw/zinc/86/96/44/560869644.db2.gz PRYIJAGAEJZDBO-BJWFAPLMSA-N 0 0 402.663 6.600 40 0 HKABRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118914135 291292954 /nfs/dbraw/zinc/29/29/54/291292954.db2.gz KYOFIJXMVNQYFC-XJZKHKOHSA-N 0 0 412.702 8.233 40 0 biogenic,in-vitro HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118914696 559205324 /nfs/dbraw/zinc/20/53/24/559205324.db2.gz LNGLEOIUQBVRRY-UWHHQQOESA-N 0 0 400.647 6.856 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118914697 559205311 /nfs/dbraw/zinc/20/53/11/559205311.db2.gz LNGLEOIUQBVRRY-JUWHNOKGSA-N 0 0 400.647 6.856 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)[C@@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118914761 559205294 /nfs/dbraw/zinc/20/52/94/559205294.db2.gz UJDBZVSBLYRMDU-GDIQUEQZSA-N 0 0 418.706 6.830 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118914762 559205327 /nfs/dbraw/zinc/20/53/27/559205327.db2.gz GVAODFIKHWYQPE-FOKBJMOMSA-N 0 0 416.646 5.971 40 0 HKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C5(C)OCCO5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118914824 559205416 /nfs/dbraw/zinc/20/54/16/559205416.db2.gz JYRJWVYVMVQZQS-HFWOUJIZSA-N 0 0 400.559 5.180 40 0 HKABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C5(C)OCCO5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118914825 559205441 /nfs/dbraw/zinc/20/54/41/559205441.db2.gz JYRJWVYVMVQZQS-CGRIZKAYSA-N 0 0 400.559 5.180 40 0 HKABRN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](C5(C)OCCO5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118914914 559205410 /nfs/dbraw/zinc/20/54/10/559205410.db2.gz GFXBFUNNPOLAPC-KIHUSNISSA-N 0 0 404.591 5.340 40 0 HKABRN 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FLDVEKQSXXBPDV-DXHUAGJKSA-N 0 0 418.621 7.211 40 0 HKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(/C=C\c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915017 559205413 /nfs/dbraw/zinc/20/54/13/559205413.db2.gz FLDVEKQSXXBPDV-CDNLYXROSA-N 0 0 418.621 7.211 40 0 HKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(/C=C\c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915018 559205419 /nfs/dbraw/zinc/20/54/19/559205419.db2.gz FLDVEKQSXXBPDV-FJXNACGLSA-N 0 0 418.621 7.211 40 0 HKABRN CC[C@@H](/C=C\[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)C(C)C ZINC000118915231 559205423 /nfs/dbraw/zinc/20/54/23/559205423.db2.gz HCXVJBMSMIARIN-RPEBUPGWSA-N 0 0 412.702 7.801 40 0 HKABRN CC[C@H](/C=C\[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)C(C)C ZINC000118915232 569052283 /nfs/dbraw/zinc/05/22/83/569052283.db2.gz HCXVJBMSMIARIN-GOBBZIARSA-N 0 0 412.702 7.801 40 0 HKABRN 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GSOXJOKVDUGXML-PQQZDNAISA-N 0 0 406.657 6.057 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(Cl)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118920266 560869570 /nfs/dbraw/zinc/86/95/70/560869570.db2.gz CSMNIQHGEOBTDX-POBUXQGNSA-N 0 0 423.125 7.830 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)/C=C/c1ccccc1 ZINC000118920773 568420481 /nfs/dbraw/zinc/42/04/81/568420481.db2.gz YDLGPSRBKLWFAV-ZMQFJBCJSA-N 0 0 406.610 7.044 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)[C@@H](F)C[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000118922933 559205882 /nfs/dbraw/zinc/20/58/82/559205882.db2.gz HNAAFHHBQZHFPH-BJJBORLASA-N 0 0 412.545 5.772 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)[C@@H](F)C[C@@]43C)[C@@H]1CC[C@H]2OC(=O)c1ccccc1 ZINC000118922934 559205920 /nfs/dbraw/zinc/20/59/20/559205920.db2.gz HNAAFHHBQZHFPH-MMCUHXBASA-N 0 0 412.545 5.772 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)[C@@H](F)C[C@@]43C)[C@@H]1CC[C@H]2OC(=O)c1ccccc1 ZINC000118922935 559205900 /nfs/dbraw/zinc/20/59/00/559205900.db2.gz HNAAFHHBQZHFPH-VXDGAZRSSA-N 0 0 412.545 5.772 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118923167 559205883 /nfs/dbraw/zinc/20/58/83/559205883.db2.gz KZIUQJZMWULELD-QVJUQYADSA-N 0 0 415.706 7.222 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118923168 559205924 /nfs/dbraw/zinc/20/59/24/559205924.db2.gz KZIUQJZMWULELD-WNWGVQQNSA-N 0 0 415.706 7.222 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118923171 559205892 /nfs/dbraw/zinc/20/58/92/559205892.db2.gz KZIUQJZMWULELD-XRWQUZPPSA-N 0 0 415.706 7.222 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)C1CCCCC1 ZINC000118923485 559205886 /nfs/dbraw/zinc/20/58/86/559205886.db2.gz YOVFVQWNQMEMNF-LCJUBJIZSA-N 0 0 400.603 6.090 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)C1CCCCC1 ZINC000118923486 559205902 /nfs/dbraw/zinc/20/59/02/559205902.db2.gz YOVFVQWNQMEMNF-SOPGZXPBSA-N 0 0 400.603 6.090 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)C1CCCCC1 ZINC000118923487 559205914 /nfs/dbraw/zinc/20/59/14/559205914.db2.gz YOVFVQWNQMEMNF-VDGJRLBASA-N 0 0 400.603 6.090 40 0 HKABRN CC(=O)O/C(C)=C1/CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118923496 560870036 /nfs/dbraw/zinc/87/00/36/560870036.db2.gz DQHKOPGHSPUDFM-JSJHEFNVSA-N 0 0 400.559 5.718 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118923687 560870137 /nfs/dbraw/zinc/87/01/37/560870137.db2.gz DASOUCLGLBPXLC-ZWEOZWGBSA-N 0 0 414.718 8.025 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118923688 560870132 /nfs/dbraw/zinc/87/01/32/560870132.db2.gz DASOUCLGLBPXLC-JNKKBWKZSA-N 0 0 414.718 8.025 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118923689 560870125 /nfs/dbraw/zinc/87/01/25/560870125.db2.gz DASOUCLGLBPXLC-ZCLGVQAQSA-N 0 0 414.718 8.025 40 0 HKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](C5(C)OCCO5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118924288 560870127 /nfs/dbraw/zinc/87/01/27/560870127.db2.gz IXDXUHKVPQMDIH-HIOAPMMISA-N 0 0 404.591 5.340 40 0 HKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](C5(C)OCCO5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118924289 560870109 /nfs/dbraw/zinc/87/01/09/560870109.db2.gz IXDXUHKVPQMDIH-SGLYVMGASA-N 0 0 404.591 5.340 40 0 HKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C5(C)OCCO5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118924291 560870126 /nfs/dbraw/zinc/87/01/26/560870126.db2.gz IXDXUHKVPQMDIH-XBUBOJNLSA-N 0 0 404.591 5.340 40 0 HKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C5(C)OCCO5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118924292 569063095 /nfs/dbraw/zinc/06/30/95/569063095.db2.gz IXDXUHKVPQMDIH-OPKHLUCYSA-N 0 0 404.591 5.340 40 0 HKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](c5cccc(=O)o5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118924405 559205916 /nfs/dbraw/zinc/20/59/16/559205916.db2.gz NJSXEKDLWSSOHT-YRSQQJHNSA-N 0 0 412.570 5.698 40 0 HKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](c5cccc(=O)o5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118924409 559206067 /nfs/dbraw/zinc/20/60/67/559206067.db2.gz NJSXEKDLWSSOHT-QHKUEKRWSA-N 0 0 412.570 5.698 40 0 HKABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](c5cccc(=O)o5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118924413 559206038 /nfs/dbraw/zinc/20/60/38/559206038.db2.gz NJSXEKDLWSSOHT-AACJOILJSA-N 0 0 412.570 5.698 40 0 HKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](c5cccc(=O)o5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118924416 559206059 /nfs/dbraw/zinc/20/60/59/559206059.db2.gz NJSXEKDLWSSOHT-WZHKHAFFSA-N 0 0 412.570 5.698 40 0 HKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)N=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118924462 560870112 /nfs/dbraw/zinc/87/01/12/560870112.db2.gz OSEUSDPKNGVSLT-AUHGPQMZSA-N 0 0 404.595 5.579 40 0 HKABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)N(C)N=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118924463 560870118 /nfs/dbraw/zinc/87/01/18/560870118.db2.gz OSEUSDPKNGVSLT-UCTMCIKISA-N 0 0 404.595 5.579 40 0 HKABRN CO[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 ZINC000118924469 559206015 /nfs/dbraw/zinc/20/60/15/559206015.db2.gz RCXPTZJNVLDKKV-QWDJEJJDSA-N 0 0 400.691 8.043 40 0 HKABRN CO[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 ZINC000118924473 559206013 /nfs/dbraw/zinc/20/60/13/559206013.db2.gz RCXPTZJNVLDKKV-FVEYCNCKSA-N 0 0 400.691 8.043 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC([N+](=O)[O-])=C4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118924497 560870130 /nfs/dbraw/zinc/87/01/30/560870130.db2.gz IIZJIZFOGQTBIO-VHHOZFFRSA-N 0 0 415.662 8.022 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC([N+](=O)[O-])=C4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118924501 560870133 /nfs/dbraw/zinc/87/01/33/560870133.db2.gz IIZJIZFOGQTBIO-YLRLDMTISA-N 0 0 415.662 8.022 40 0 HKABRN CCO[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 ZINC000118924772 559206070 /nfs/dbraw/zinc/20/60/70/559206070.db2.gz HVJCKZFYZWPQOO-VFGXHBSASA-N 0 0 414.718 8.433 40 0 HKABRN CCO[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 ZINC000118924775 559206036 /nfs/dbraw/zinc/20/60/36/559206036.db2.gz HVJCKZFYZWPQOO-JZQQPFIGSA-N 0 0 414.718 8.433 40 0 HKABRN CCO[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 ZINC000118924778 559206034 /nfs/dbraw/zinc/20/60/34/559206034.db2.gz HVJCKZFYZWPQOO-ZLPMDMCDSA-N 0 0 414.718 8.433 40 0 HKABRN CC(=O)OC[C@H](OC(C)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118924924 560870119 /nfs/dbraw/zinc/87/01/19/560870119.db2.gz RZMRLFZKLOVKNA-SSOLYOFOSA-N 0 0 404.591 5.530 40 0 HKABRN CC(=O)OC[C@@H](OC(C)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118924926 560870122 /nfs/dbraw/zinc/87/01/22/560870122.db2.gz RZMRLFZKLOVKNA-XHJVUWHGSA-N 0 0 404.591 5.530 40 0 HKABRN CC(=O)OC[C@H](OC(C)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118924931 560870111 /nfs/dbraw/zinc/87/01/11/560870111.db2.gz RZMRLFZKLOVKNA-AYFIDHIXSA-N 0 0 404.591 5.530 40 0 HKABRN CC(=O)OC[C@@H](OC(C)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118924933 560870117 /nfs/dbraw/zinc/87/01/17/560870117.db2.gz RZMRLFZKLOVKNA-XGQRSAJTSA-N 0 0 404.591 5.530 40 0 HKABRN C[C@@H](CCC(=O)C[S@](C)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925119 559206057 /nfs/dbraw/zinc/20/60/57/559206057.db2.gz CIYRXHNULHWANP-XUKCVZHUSA-N 0 0 420.703 6.399 40 0 HKABRN C[C@H](CCC(=O)C[S@](C)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925121 559206055 /nfs/dbraw/zinc/20/60/55/559206055.db2.gz CIYRXHNULHWANP-IXDWFPMSSA-N 0 0 420.703 6.399 40 0 HKABRN C[C@@H](CCC(=O)C[S@@](C)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925126 559206010 /nfs/dbraw/zinc/20/60/10/559206010.db2.gz CIYRXHNULHWANP-KILLEWLUSA-N 0 0 420.703 6.399 40 0 HKABRN C[C@H](CCC(=O)C[S@@](C)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925132 559206000 /nfs/dbraw/zinc/20/60/00/559206000.db2.gz CIYRXHNULHWANP-UASANFCASA-N 0 0 420.703 6.399 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(O)=CC(=O)C(F)(F)F ZINC000118925351 559206043 /nfs/dbraw/zinc/20/60/43/559206043.db2.gz YSCAUZWVQYQONN-LUTUCUKNSA-N 0 0 412.492 5.017 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(O)=CC(=O)C(F)(F)F ZINC000118925355 559206061 /nfs/dbraw/zinc/20/60/61/559206061.db2.gz YSCAUZWVQYQONN-AQBOUSHGSA-N 0 0 412.492 5.017 40 0 HKABRN C[C@H](CCC[C@H](C)CO)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925403 559206003 /nfs/dbraw/zinc/20/60/03/559206003.db2.gz QOZJGOAPWUNUFZ-PQWXQXATSA-N 0 0 420.678 5.412 40 0 HKABRN C[C@@H](CO)CCC[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925406 559206053 /nfs/dbraw/zinc/20/60/53/559206053.db2.gz QOZJGOAPWUNUFZ-WKXYXYBNSA-N 0 0 420.678 5.412 40 0 HKABRN C[C@H](CO)CCC[C@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925409 559206072 /nfs/dbraw/zinc/20/60/72/559206072.db2.gz QOZJGOAPWUNUFZ-WGUBSKRMSA-N 0 0 420.678 5.412 40 0 HKABRN C[C@@H](CO)CCC[C@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925412 559206048 /nfs/dbraw/zinc/20/60/48/559206048.db2.gz QOZJGOAPWUNUFZ-DAPYBBAGSA-N 0 0 420.678 5.412 40 0 HKABRN CC[C@@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118925743 559206108 /nfs/dbraw/zinc/20/61/08/559206108.db2.gz RTLUSWHIKFIQFU-SHARFHEHSA-N 0 0 412.702 8.089 40 0 HKABRN CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118925747 559206100 /nfs/dbraw/zinc/20/61/00/559206100.db2.gz RTLUSWHIKFIQFU-RJFPRWCZSA-N 0 0 412.702 8.089 40 0 HKABRN CC[C@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118925749 559206096 /nfs/dbraw/zinc/20/60/96/559206096.db2.gz RTLUSWHIKFIQFU-DHLYFKOZSA-N 0 0 412.702 8.089 40 0 HKABRN CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118925754 559206118 /nfs/dbraw/zinc/20/61/18/559206118.db2.gz RTLUSWHIKFIQFU-FFANMRNWSA-N 0 0 412.702 8.089 40 0 HKABRN Cn1nc([C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1C(F)(F)F ZINC000118926208 559206128 /nfs/dbraw/zinc/20/61/28/559206128.db2.gz OFZZRUVLPSTSGV-BOPJXXHASA-N 0 0 422.535 5.846 40 0 HKABRN Cn1nc([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1C(F)(F)F ZINC000118926212 559206102 /nfs/dbraw/zinc/20/61/02/559206102.db2.gz OFZZRUVLPSTSGV-KPTKGFLISA-N 0 0 422.535 5.846 40 0 HKABRN Cn1nc([C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1C(F)(F)F ZINC000118926217 559206105 /nfs/dbraw/zinc/20/61/05/559206105.db2.gz OFZZRUVLPSTSGV-ZYFHOJDISA-N 0 0 422.535 5.846 40 0 HKABRN CC(=O)[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118926379 560870294 /nfs/dbraw/zinc/87/02/94/560870294.db2.gz JGDUMOBWECEMIZ-QCHLYOEDSA-N 0 0 404.594 6.654 40 0 HKABRN CC(=O)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118926384 560870279 /nfs/dbraw/zinc/87/02/79/560870279.db2.gz JGDUMOBWECEMIZ-LHRURBLTSA-N 0 0 404.594 6.654 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1cc(C(F)(F)F)n[nH]1 ZINC000118926567 559206123 /nfs/dbraw/zinc/20/61/23/559206123.db2.gz CLAGQRWCTZRCME-LUTUCUKNSA-N 0 0 408.508 5.836 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1cc(C(F)(F)F)n[nH]1 ZINC000118926573 559206133 /nfs/dbraw/zinc/20/61/33/559206133.db2.gz CLAGQRWCTZRCME-LCDGHNAASA-N 0 0 408.508 5.836 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1cc(C(F)(F)F)n[nH]1 ZINC000118926576 559206093 /nfs/dbraw/zinc/20/60/93/559206093.db2.gz CLAGQRWCTZRCME-AQBOUSHGSA-N 0 0 408.508 5.836 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1cc(C(F)(F)F)n[nH]1 ZINC000118926580 559206130 /nfs/dbraw/zinc/20/61/30/559206130.db2.gz CLAGQRWCTZRCME-YTROQARVSA-N 0 0 408.508 5.836 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)c5cccs5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000118926626 560870264 /nfs/dbraw/zinc/87/02/64/560870264.db2.gz RUXMZJKPKQJENT-ZYCZNCTCSA-N 0 0 400.584 5.885 40 0 HKABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](OC(=O)c5cccs5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000118926630 560870302 /nfs/dbraw/zinc/87/03/02/560870302.db2.gz RUXMZJKPKQJENT-YNULJPEOSA-N 0 0 400.584 5.885 40 0 HKABRN CC(=O)O[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 ZINC000118926738 559206245 /nfs/dbraw/zinc/20/62/45/559206245.db2.gz KNPATZSHRPGJID-OPWYDLDLSA-N 0 0 402.575 5.449 40 0 HKABRN CC(=O)O[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 ZINC000118926741 559206235 /nfs/dbraw/zinc/20/62/35/559206235.db2.gz KNPATZSHRPGJID-IQJZVECRSA-N 0 0 402.575 5.449 40 0 HKABRN CC(=O)O[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 ZINC000118926744 559206204 /nfs/dbraw/zinc/20/62/04/559206204.db2.gz KNPATZSHRPGJID-HWMNWYBYSA-N 0 0 402.575 5.449 40 0 HKABRN CC(=O)O[C@@H](C)[C@H]1[C@H](OC(C)=O)C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118927125 560870227 /nfs/dbraw/zinc/87/02/27/560870227.db2.gz IZBSXDTURZCMRK-CRWMONLTSA-N 0 0 404.591 5.529 40 0 HKABRN CC(=O)O[C@H](C)[C@H]1[C@H](OC(C)=O)C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118927130 560870237 /nfs/dbraw/zinc/87/02/37/560870237.db2.gz IZBSXDTURZCMRK-WTQHIPSCSA-N 0 0 404.591 5.529 40 0 HKABRN CC(=O)O[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118927137 560870282 /nfs/dbraw/zinc/87/02/82/560870282.db2.gz IZBSXDTURZCMRK-SSBKWMMISA-N 0 0 404.591 5.529 40 0 HKABRN CC(=O)O[C@H](C)[C@H]1[C@@H](OC(C)=O)C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118927138 560870287 /nfs/dbraw/zinc/87/02/87/560870287.db2.gz IZBSXDTURZCMRK-LCTZZSBFSA-N 0 0 404.591 5.529 40 0 HKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](Oc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118927544 559206256 /nfs/dbraw/zinc/20/62/56/559206256.db2.gz LUZSRGCUNDRXTQ-FELPTUEHSA-N 0 0 408.582 6.329 40 0 HKABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](Oc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118927545 559206230 /nfs/dbraw/zinc/20/62/30/559206230.db2.gz LUZSRGCUNDRXTQ-DUJSLOSMSA-N 0 0 408.582 6.329 40 0 HKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](Oc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118927546 559206239 /nfs/dbraw/zinc/20/62/39/559206239.db2.gz LUZSRGCUNDRXTQ-JHIFLRRCSA-N 0 0 408.582 6.329 40 0 HKABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](Oc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118927547 559206246 /nfs/dbraw/zinc/20/62/46/559206246.db2.gz LUZSRGCUNDRXTQ-QTDJDFFRSA-N 0 0 408.582 6.329 40 0 HKABRN CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000118927577 560870275 /nfs/dbraw/zinc/87/02/75/560870275.db2.gz VIBBLWWRIXYIGT-FKJFRENASA-N 0 0 402.619 6.194 40 0 HKABRN CCOC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000118927578 560870295 /nfs/dbraw/zinc/87/02/95/560870295.db2.gz VIBBLWWRIXYIGT-OPFPPWKBSA-N 0 0 402.619 6.194 40 0 HKABRN CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000118927579 560870292 /nfs/dbraw/zinc/87/02/92/560870292.db2.gz VIBBLWWRIXYIGT-JZAVHCKJSA-N 0 0 402.619 6.194 40 0 HKABRN CCOC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000118927580 560870252 /nfs/dbraw/zinc/87/02/52/560870252.db2.gz VIBBLWWRIXYIGT-GERSHNARSA-N 0 0 402.619 6.194 40 0 HKABRN CC(=O)O[C@@H]1/C(=C/c2ccccc2)C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118927683 560870372 /nfs/dbraw/zinc/87/03/72/560870372.db2.gz MYXPLINCZQMSCW-WTKWRXLXSA-N 0 0 406.610 7.044 40 0 HKABRN CC(=O)O[C@H]1/C(=C/c2ccccc2)C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118927685 560870391 /nfs/dbraw/zinc/87/03/91/560870391.db2.gz MYXPLINCZQMSCW-FFXZUYDCSA-N 0 0 406.610 7.044 40 0 HKABRN CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000118927879 560870363 /nfs/dbraw/zinc/87/03/63/560870363.db2.gz IHNZLUIZUNADFX-COGSQQQQSA-N 0 0 414.674 7.102 40 0 HKABRN COC(=O)[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 ZINC000118928147 560870373 /nfs/dbraw/zinc/87/03/73/560870373.db2.gz NMYROXPSKHHTLY-NXBNXRBISA-N 0 0 402.575 5.306 40 0 HKABRN COC(=O)[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 ZINC000118928149 560870368 /nfs/dbraw/zinc/87/03/68/560870368.db2.gz NMYROXPSKHHTLY-YKJJBCCLSA-N 0 0 402.575 5.306 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](CO)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118930472 560869823 /nfs/dbraw/zinc/86/98/23/560869823.db2.gz TYTUMJNHSUQBGY-GMYIAEGMSA-N 0 0 418.706 6.687 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](CO)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118930474 560869826 /nfs/dbraw/zinc/86/98/26/560869826.db2.gz TYTUMJNHSUQBGY-IDHHGYRTSA-N 0 0 418.706 6.687 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](CO)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118930475 560869794 /nfs/dbraw/zinc/86/97/94/560869794.db2.gz TYTUMJNHSUQBGY-VNJYQTTISA-N 0 0 418.706 6.687 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](CO)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118930476 560869777 /nfs/dbraw/zinc/86/97/77/560869777.db2.gz TYTUMJNHSUQBGY-BGVVYDCJSA-N 0 0 418.706 6.687 40 0 HKABRN CCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@](C)(OC(=O)CC)[C@@]4(C)CC[C@@H]32)C1 ZINC000118930613 559206327 /nfs/dbraw/zinc/20/63/27/559206327.db2.gz YUKFLTKJFMBYJM-OAKTUVNBSA-N 0 0 416.602 5.983 40 0 HKABRN CCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@](C)(OC(=O)CC)[C@@]4(C)CC[C@@H]32)C1 ZINC000118930614 559206328 /nfs/dbraw/zinc/20/63/28/559206328.db2.gz YUKFLTKJFMBYJM-PYYKUZOASA-N 0 0 416.602 5.983 40 0 HKABRN CC1=C2CC[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 ZINC000118931109 559206342 /nfs/dbraw/zinc/20/63/42/559206342.db2.gz BWKFEXIGKBCPIS-DRABWAQDSA-N 0 0 400.691 7.779 40 0 HKABRN CC1=C2CC[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 ZINC000118931110 559206320 /nfs/dbraw/zinc/20/63/20/559206320.db2.gz BWKFEXIGKBCPIS-KVUBDEIOSA-N 0 0 400.691 7.779 40 0 HKABRN CC1=C2CC[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 ZINC000118931111 559206312 /nfs/dbraw/zinc/20/63/12/559206312.db2.gz BWKFEXIGKBCPIS-XJLJMEKPSA-N 0 0 400.691 7.779 40 0 HKABRN CC1=C2CC[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 ZINC000118931112 559206340 /nfs/dbraw/zinc/20/63/40/559206340.db2.gz BWKFEXIGKBCPIS-NBRYEXAXSA-N 0 0 400.691 7.779 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118932391 560869857 /nfs/dbraw/zinc/86/98/57/560869857.db2.gz OPSNLRNZVIABPI-LMAHGFGQSA-N 0 0 402.663 6.792 40 0 HKABRN CO[C@H]1C=C2CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118932398 560869869 /nfs/dbraw/zinc/86/98/69/560869869.db2.gz FRZGUFBZIFOIRD-UONQFXLWSA-N 0 0 414.718 8.289 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118932426 560869880 /nfs/dbraw/zinc/86/98/80/560869880.db2.gz VMUIFEIFBPLOQQ-VKYYDZGWSA-N 0 0 404.679 6.439 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)[C@H](O)[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118932430 560869874 /nfs/dbraw/zinc/86/98/74/560869874.db2.gz VMUIFEIFBPLOQQ-CKWLCGTBSA-N 0 0 404.679 6.439 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CCCC[C@@H]3C[C@@H](O)[C@@]21O ZINC000118932435 560869907 /nfs/dbraw/zinc/86/99/07/560869907.db2.gz OXXQSPWNBIFGEP-SLJWHMLGSA-N 0 0 404.679 6.584 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CCCC[C@@H]3C[C@H](O)[C@@]21O ZINC000118932438 560869858 /nfs/dbraw/zinc/86/98/58/560869858.db2.gz OXXQSPWNBIFGEP-AIQDWSEISA-N 0 0 404.679 6.584 40 0 HKABRN CS[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 ZINC000118932473 559206433 /nfs/dbraw/zinc/20/64/33/559206433.db2.gz CSDNFDRMMGNTCT-QWDJEJJDSA-N 0 0 416.759 8.759 40 0 HKABRN CS[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 ZINC000118932475 559206447 /nfs/dbraw/zinc/20/64/47/559206447.db2.gz CSDNFDRMMGNTCT-BTGNDISDSA-N 0 0 416.759 8.759 40 0 HKABRN CS[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 ZINC000118932477 559206436 /nfs/dbraw/zinc/20/64/36/559206436.db2.gz CSDNFDRMMGNTCT-FVEYCNCKSA-N 0 0 416.759 8.759 40 0 HKABRN CO[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 ZINC000118932521 560869866 /nfs/dbraw/zinc/86/98/66/560869866.db2.gz WCLAESSRAKSOIR-JEPZXVLISA-N 0 0 416.690 7.014 40 0 HKABRN CO[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 ZINC000118932524 560869889 /nfs/dbraw/zinc/86/98/89/560869889.db2.gz WCLAESSRAKSOIR-PXGZMZAMSA-N 0 0 416.690 7.014 40 0 HKABRN CO[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 ZINC000118932527 560869860 /nfs/dbraw/zinc/86/98/60/560869860.db2.gz WCLAESSRAKSOIR-MBOCNQOASA-N 0 0 416.690 7.014 40 0 HKABRN CO[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 ZINC000118932529 560869900 /nfs/dbraw/zinc/86/99/00/560869900.db2.gz WCLAESSRAKSOIR-UZGJVEAQSA-N 0 0 416.690 7.014 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000118933477 559206452 /nfs/dbraw/zinc/20/64/52/559206452.db2.gz NWQBDOPDVUJEGJ-VWXNOHHNSA-N 0 0 404.679 6.439 40 0 HKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000118933478 559206446 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414.630 6.062 40 0 HKABRN CC1=CO[C@@]2(CC1)O[C@H]1C[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]2C ZINC000118936401 559206600 /nfs/dbraw/zinc/20/66/00/559206600.db2.gz WKIREOBBYBNDMP-JMJFWVGOSA-N 0 0 414.630 6.062 40 0 HKABRN C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000118936406 559206594 /nfs/dbraw/zinc/20/65/94/559206594.db2.gz CIBAPVLFORANSS-NHAPWMHASA-N 0 0 414.630 6.002 40 0 in-man HKABRN C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)CO2 ZINC000118936407 559206611 /nfs/dbraw/zinc/20/66/11/559206611.db2.gz CIBAPVLFORANSS-LBTVUSOMSA-N 0 0 414.630 6.002 40 0 in-man HKABRN C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)CO2 ZINC000118936408 559206648 /nfs/dbraw/zinc/20/66/48/559206648.db2.gz CIBAPVLFORANSS-XPISADQXSA-N 0 0 414.630 6.002 40 0 in-man HKABRN 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CC1CCN(c2ccc(C(=O)Nc3ccc(OCc4ccccc4F)cc3)cc2)CC1 ZINC000141538912 569354620 /nfs/dbraw/zinc/35/46/20/569354620.db2.gz ZPWVUVZYCBJFTI-UHFFFAOYSA-N 0 0 418.512 5.893 40 0 HKABRN CC(C)(C)[C@@H]1CCc2onc(C(=O)NCCOc3ccc(-c4ccccc4)cc3)c2C1 ZINC000141544464 569354622 /nfs/dbraw/zinc/35/46/22/569354622.db2.gz CWOSHKAYCYWSDH-HXUWFJFHSA-N 0 0 418.537 5.301 40 0 HKABRN CC(C)(C)[C@H]1CCc2onc(C(=O)NCCOc3ccc(-c4ccccc4)cc3)c2C1 ZINC000141544668 569354594 /nfs/dbraw/zinc/35/45/94/569354594.db2.gz CWOSHKAYCYWSDH-FQEVSTJZSA-N 0 0 418.537 5.301 40 0 HKABRN C[C@@H](CCc1ccccc1Cl)NC(=O)c1cc(-c2ccnn2C)nc2ccccc21 ZINC000141545688 569354671 /nfs/dbraw/zinc/35/46/71/569354671.db2.gz NJSJPBXKKCTFCV-INIZCTEOSA-N 0 0 418.928 5.040 40 0 HKABRN C[C@H](CCc1ccccc1Cl)NC(=O)c1cc(-c2ccnn2C)nc2ccccc21 ZINC000141545898 569354606 /nfs/dbraw/zinc/35/46/06/569354606.db2.gz NJSJPBXKKCTFCV-MRXNPFEDSA-N 0 0 418.928 5.040 40 0 HKABRN C[C@@H](CCc1ccccc1Cl)NC(=O)c1cc(-c2cnn(C)c2)nc2ccccc21 ZINC000141546528 569354625 /nfs/dbraw/zinc/35/46/25/569354625.db2.gz UATOVEOPZMFVJF-INIZCTEOSA-N 0 0 418.928 5.040 40 0 HKABRN C[C@H](CCc1ccccc1Cl)NC(=O)c1cc(-c2cnn(C)c2)nc2ccccc21 ZINC000141546715 569354757 /nfs/dbraw/zinc/35/47/57/569354757.db2.gz UATOVEOPZMFVJF-MRXNPFEDSA-N 0 0 418.928 5.040 40 0 HKABRN C[C@@H](CCc1ccccc1Cl)NC(=O)c1cc(-c2ccn(C)n2)nc2ccccc21 ZINC000141546899 569354801 /nfs/dbraw/zinc/35/48/01/569354801.db2.gz YKWBHCSJUUVEOJ-INIZCTEOSA-N 0 0 418.928 5.040 40 0 HKABRN C[C@H](CCc1ccccc1Cl)NC(=O)c1cc(-c2ccn(C)n2)nc2ccccc21 ZINC000141547054 569354780 /nfs/dbraw/zinc/35/47/80/569354780.db2.gz YKWBHCSJUUVEOJ-MRXNPFEDSA-N 0 0 418.928 5.040 40 0 HKABRN CN(C)[C@H](C(=O)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(Cl)cc1 ZINC000141547638 569354723 /nfs/dbraw/zinc/35/47/23/569354723.db2.gz FRPSKCSJBNSQMF-NRFANRHFSA-N 0 0 421.953 5.858 40 0 HKABRN CN(C)[C@@H](C(=O)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(Cl)cc1 ZINC000141547814 569354745 /nfs/dbraw/zinc/35/47/45/569354745.db2.gz FRPSKCSJBNSQMF-OAQYLSRUSA-N 0 0 421.953 5.858 40 0 HKABRN Cc1cccn2cc(-c3cccc(NC(=O)[C@@H](c4ccc(Cl)cc4)N(C)C)c3)nc12 ZINC000141548027 569354769 /nfs/dbraw/zinc/35/47/69/569354769.db2.gz VYTOKBUGNFDMLK-JOCHJYFZSA-N 0 0 418.928 5.205 40 0 HKABRN Cc1cccn2cc(-c3cccc(NC(=O)[C@H](c4ccc(Cl)cc4)N(C)C)c3)nc12 ZINC000141548211 569354816 /nfs/dbraw/zinc/35/48/16/569354816.db2.gz VYTOKBUGNFDMLK-QFIPXVFZSA-N 0 0 418.928 5.205 40 0 HKABRN Cc1ccn2cc(-c3cccc(NC(=O)[C@@H](c4ccc(Cl)cc4)N(C)C)c3)nc2c1 ZINC000141548384 569354719 /nfs/dbraw/zinc/35/47/19/569354719.db2.gz FYLSLPAMNUBBQY-HSZRJFAPSA-N 0 0 418.928 5.205 40 0 HKABRN Cc1ccn2cc(-c3cccc(NC(=O)[C@H](c4ccc(Cl)cc4)N(C)C)c3)nc2c1 ZINC000141548592 569354793 /nfs/dbraw/zinc/35/47/93/569354793.db2.gz FYLSLPAMNUBBQY-QHCPKHFHSA-N 0 0 418.928 5.205 40 0 HKABRN Cc1cccc2c(C(=O)NCC(C)(C)c3ccccc3F)cc(-c3cccnc3)nc12 ZINC000141550741 569354799 /nfs/dbraw/zinc/35/47/99/569354799.db2.gz QDOJXHYORRQDOS-UHFFFAOYSA-N 0 0 413.496 5.452 40 0 HKABRN Cc1cccc2c(C(=O)NCC(C)(C)c3cccc(F)c3)cc(-c3cccnc3)nc12 ZINC000141550945 569354789 /nfs/dbraw/zinc/35/47/89/569354789.db2.gz XKTGXZWQNBASPN-UHFFFAOYSA-N 0 0 413.496 5.452 40 0 HKABRN Cc1cccc2c(C(=O)NCC(C)(C)c3ccc(F)cc3)cc(-c3cccnc3)nc12 ZINC000141551155 569354783 /nfs/dbraw/zinc/35/47/83/569354783.db2.gz XYSOTIFTAJUDCX-UHFFFAOYSA-N 0 0 413.496 5.452 40 0 HKABRN Cc1cccc2c(C(=O)NCC(C)(C)c3ccccc3F)cc(-c3ccccn3)nc12 ZINC000141552117 569354823 /nfs/dbraw/zinc/35/48/23/569354823.db2.gz JDIHVESZMSXWFS-UHFFFAOYSA-N 0 0 413.496 5.452 40 0 HKABRN Cc1cccc2c(C(=O)NCC(C)(C)c3cccc(F)c3)cc(-c3ccccn3)nc12 ZINC000141552324 571132154 /nfs/dbraw/zinc/13/21/54/571132154.db2.gz FVLHPSWJWFYUCE-UHFFFAOYSA-N 0 0 413.496 5.452 40 0 HKABRN Cc1cccc2c(C(=O)NCC(C)(C)c3ccc(F)cc3)cc(-c3ccccn3)nc12 ZINC000141552520 569354805 /nfs/dbraw/zinc/35/48/05/569354805.db2.gz IIUXRYDSETTYNG-UHFFFAOYSA-N 0 0 413.496 5.452 40 0 HKABRN COc1ccccc1CCC1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 ZINC000141554278 569354803 /nfs/dbraw/zinc/35/48/03/569354803.db2.gz AFEWLQZVOHXVCL-UHFFFAOYSA-N 0 0 406.570 5.171 40 0 HKABRN CCOc1ccccc1-c1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000141554659 571132072 /nfs/dbraw/zinc/13/20/72/571132072.db2.gz DWLJGHBBHXBBEX-UHFFFAOYSA-N 0 0 400.522 5.995 40 0 HKABRN COc1ccccc1CCC1CCN(C(=O)c2n[nH]c3c2C[C@H](C(C)(C)C)CC3)CC1 ZINC000141557569 569354844 /nfs/dbraw/zinc/35/48/44/569354844.db2.gz WGNFCDRBKFPXEP-HXUWFJFHSA-N 0 0 423.601 5.054 40 0 HKABRN COc1ccccc1CCC1CCN(C(=O)c2n[nH]c3c2C[C@@H](C(C)(C)C)CC3)CC1 ZINC000141557767 569354749 /nfs/dbraw/zinc/35/47/49/569354749.db2.gz WGNFCDRBKFPXEP-FQEVSTJZSA-N 0 0 423.601 5.054 40 0 HKABRN CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)Nc3ccc(OCc4ccccc4F)cc3)c2C1 ZINC000141558729 569354725 /nfs/dbraw/zinc/35/47/25/569354725.db2.gz WOVYVTIEYDRYHW-QGZVFWFLSA-N 0 0 421.516 5.531 40 0 HKABRN CC(C)(C)[C@H]1CCc2[nH]nc(C(=O)Nc3ccc(OCc4ccccc4F)cc3)c2C1 ZINC000141558908 569354832 /nfs/dbraw/zinc/35/48/32/569354832.db2.gz WOVYVTIEYDRYHW-KRWDZBQOSA-N 0 0 421.516 5.531 40 0 HKABRN CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)NCCOc3ccc(-c4ccccc4)cc3)c2C1 ZINC000141559136 569354738 /nfs/dbraw/zinc/35/47/38/569354738.db2.gz IZOSXRFSKQEEAA-HXUWFJFHSA-N 0 0 417.553 5.037 40 0 HKABRN CC(C)(C)[C@H]1CCc2[nH]nc(C(=O)NCCOc3ccc(-c4ccccc4)cc3)c2C1 ZINC000141559335 569354785 /nfs/dbraw/zinc/35/47/85/569354785.db2.gz IZOSXRFSKQEEAA-FQEVSTJZSA-N 0 0 417.553 5.037 40 0 HKABRN CCOc1cccc2sc(NC(=O)[C@@H](C)Oc3cccc(C(F)(F)F)c3)nc21 ZINC000141562281 569354847 /nfs/dbraw/zinc/35/48/47/569354847.db2.gz GTDARPUTNAJQOV-LLVKDONJSA-N 0 0 410.417 5.120 40 0 HKABRN CCOc1cccc2sc(NC(=O)[C@H](C)Oc3cccc(C(F)(F)F)c3)nc21 ZINC000141562487 569354765 /nfs/dbraw/zinc/35/47/65/569354765.db2.gz GTDARPUTNAJQOV-NSHDSACASA-N 0 0 410.417 5.120 40 0 HKABRN Cc1cc(-c2csc(NC(=O)[C@]3(C)CC(c4ccccc4F)=NO3)n2)c(C)s1 ZINC000141566113 569354850 /nfs/dbraw/zinc/35/48/50/569354850.db2.gz AUZQCFWASOXQCP-FQEVSTJZSA-N 0 0 415.515 5.149 40 0 HKABRN Cc1cc(-c2csc(NC(=O)[C@@]3(C)CC(c4ccccc4F)=NO3)n2)c(C)s1 ZINC000141566326 569354899 /nfs/dbraw/zinc/35/48/99/569354899.db2.gz AUZQCFWASOXQCP-HXUWFJFHSA-N 0 0 415.515 5.149 40 0 HKABRN C[C@]1(C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC(c2ccccc2F)=NO1 ZINC000141566527 569354972 /nfs/dbraw/zinc/35/49/72/569354972.db2.gz ZUZSXHQCUMYWMA-XMMPIXPASA-N 0 0 422.431 5.066 40 0 HKABRN C[C@@]1(C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC(c2ccccc2F)=NO1 ZINC000141566735 569354885 /nfs/dbraw/zinc/35/48/85/569354885.db2.gz ZUZSXHQCUMYWMA-DEOSSOPVSA-N 0 0 422.431 5.066 40 0 HKABRN CN(C)[C@H](C(=O)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(F)cc1 ZINC000141570672 569354870 /nfs/dbraw/zinc/35/48/70/569354870.db2.gz KZXAIGDVABBILL-NRFANRHFSA-N 0 0 405.498 5.344 40 0 HKABRN CN(C)[C@@H](C(=O)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(F)cc1 ZINC000141570840 569354906 /nfs/dbraw/zinc/35/49/06/569354906.db2.gz KZXAIGDVABBILL-OAQYLSRUSA-N 0 0 405.498 5.344 40 0 HKABRN Cc1cc(-c2csc(NC(=O)[C@@H]3CC(c4ccccc4Cl)=NO3)n2)c(C)s1 ZINC000141581262 569354916 /nfs/dbraw/zinc/35/49/16/569354916.db2.gz IHAPNXBYVHWUQS-KRWDZBQOSA-N 0 0 417.943 5.274 40 0 HKABRN Cc1cc(-c2csc(NC(=O)[C@H]3CC(c4ccccc4Cl)=NO3)n2)c(C)s1 ZINC000141581455 569354887 /nfs/dbraw/zinc/35/48/87/569354887.db2.gz IHAPNXBYVHWUQS-QGZVFWFLSA-N 0 0 417.943 5.274 40 0 HKABRN O=C(Nc1ccc(OCc2ccccc2F)cc1)[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000141581658 569354947 /nfs/dbraw/zinc/35/49/47/569354947.db2.gz LMFKIBNNSMUSSX-QFIPXVFZSA-N 0 0 424.859 5.190 40 0 HKABRN O=C(Nc1ccc(OCc2ccccc2F)cc1)[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000141581853 569354866 /nfs/dbraw/zinc/35/48/66/569354866.db2.gz LMFKIBNNSMUSSX-JOCHJYFZSA-N 0 0 424.859 5.190 40 0 HKABRN CCOc1ccc2c(c1)c(C(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)c(C)n2C ZINC000141582056 569354874 /nfs/dbraw/zinc/35/48/74/569354874.db2.gz XAVXNXQCSHPRTM-HSZRJFAPSA-N 0 0 420.553 5.652 40 0 HKABRN CCOc1ccc2c(c1)c(C(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)c(C)n2C ZINC000141582251 569354977 /nfs/dbraw/zinc/35/49/77/569354977.db2.gz XAVXNXQCSHPRTM-QHCPKHFHSA-N 0 0 420.553 5.652 40 0 HKABRN CCOc1ccc([C@@H]2CCCN2C(=O)c2c(C)n(C)c3ccc(OCC)cc32)cc1 ZINC000141583256 569354989 /nfs/dbraw/zinc/35/49/89/569354989.db2.gz VTOXTRZNYOCVLR-QFIPXVFZSA-N 0 0 406.526 5.261 40 0 HKABRN CCOc1ccc([C@H]2CCCN2C(=O)c2c(C)n(C)c3ccc(OCC)cc32)cc1 ZINC000141583444 569354940 /nfs/dbraw/zinc/35/49/40/569354940.db2.gz VTOXTRZNYOCVLR-JOCHJYFZSA-N 0 0 406.526 5.261 40 0 HKABRN COc1ccccc1CCC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 ZINC000141583621 569354854 /nfs/dbraw/zinc/35/48/54/569354854.db2.gz SOUYDBGKXKDEFK-UHFFFAOYSA-N 0 0 424.928 5.489 40 0 HKABRN CC(C)[C@@H](CC(=O)Nc1nnc(-c2ccccc2F)s1)c1c[nH]c2ccccc21 ZINC000141586193 569354918 /nfs/dbraw/zinc/35/49/18/569354918.db2.gz BJXQHWUCBGZXFS-MRXNPFEDSA-N 0 0 408.502 5.594 40 0 HKABRN CC(C)[C@H](CC(=O)Nc1nnc(-c2ccccc2F)s1)c1c[nH]c2ccccc21 ZINC000141586386 569354891 /nfs/dbraw/zinc/35/48/91/569354891.db2.gz BJXQHWUCBGZXFS-INIZCTEOSA-N 0 0 408.502 5.594 40 0 HKABRN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(OCc4ccccc4F)cc3)cc2)n1 ZINC000141586974 569354864 /nfs/dbraw/zinc/35/48/64/569354864.db2.gz FPINTDXOVYMHCW-UHFFFAOYSA-N 0 0 415.468 5.460 40 0 HKABRN C[C@@H](CCc1ccccc1Cl)NC(=O)c1ccc2c(c1)nnn2C1CCCCC1 ZINC000141587557 569354914 /nfs/dbraw/zinc/35/49/14/569354914.db2.gz ZNXWZKHTKSXUQS-INIZCTEOSA-N 0 0 410.949 5.341 40 0 HKABRN C[C@H](CCc1ccccc1Cl)NC(=O)c1ccc2c(c1)nnn2C1CCCCC1 ZINC000141587765 569354985 /nfs/dbraw/zinc/35/49/85/569354985.db2.gz ZNXWZKHTKSXUQS-MRXNPFEDSA-N 0 0 410.949 5.341 40 0 HKABRN O=C(Nc1ccc(OCc2ccccc2F)cc1)c1cc(-c2ccc(F)cc2)no1 ZINC000141589335 569355061 /nfs/dbraw/zinc/35/50/61/569355061.db2.gz YFXSNAMVLQWRDD-UHFFFAOYSA-N 0 0 406.388 5.451 40 0 HKABRN Cc1cc(C)n(-c2ccc(CCC(=O)Nc3cc4cc(C)oc4c(Cl)c3)cc2)n1 ZINC000141590179 569355064 /nfs/dbraw/zinc/35/50/64/569355064.db2.gz OVLCQKNSTJSXSR-UHFFFAOYSA-N 0 0 407.901 5.768 40 0 HKABRN Cc1cc2cc(NC(=O)Cn3c4cc(C)ccc4nc3C(F)(F)F)cc(Cl)c2o1 ZINC000141590386 569355060 /nfs/dbraw/zinc/35/50/60/569355060.db2.gz VFKKHBIEUGEDLW-UHFFFAOYSA-N 0 0 421.806 5.710 40 0 HKABRN COc1ccccc1CCC1CCN(C(=O)c2c(C)c3cc(Cl)ccc3n2C)CC1 ZINC000141594851 569355092 /nfs/dbraw/zinc/35/50/92/569355092.db2.gz SUVKUQZEXXSFHM-UHFFFAOYSA-N 0 0 424.972 5.634 40 0 HKABRN Cc1c2cc(Cl)ccc2n(C)c1C(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC000141596601 569355088 /nfs/dbraw/zinc/35/50/88/569355088.db2.gz ZJIGQONVTYZZLP-UHFFFAOYSA-N 0 0 422.887 6.111 40 0 HKABRN Cc1c2cc(Cl)ccc2n(C)c1C(=O)NCCOc1ccc(-c2ccccc2)cc1 ZINC000141597444 569355062 /nfs/dbraw/zinc/35/50/62/569355062.db2.gz SCPUVSSNPRALNX-UHFFFAOYSA-N 0 0 418.924 5.616 40 0 HKABRN COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1c(C)c3cc(Cl)ccc3n1C)cn2C ZINC000141598273 569355063 /nfs/dbraw/zinc/35/50/63/569355063.db2.gz UMQDYXYGCNCSRR-AWEZNQCLSA-N 0 0 423.944 5.001 40 0 HKABRN COc1ccc2c(c1)c(C[C@@H](C)NC(=O)c1c(C)c3cc(Cl)ccc3n1C)cn2C ZINC000141598470 569355075 /nfs/dbraw/zinc/35/50/75/569355075.db2.gz UMQDYXYGCNCSRR-CQSZACIVSA-N 0 0 423.944 5.001 40 0 HKABRN c1cc(-c2nc3nc(CC45CC6CC(CC(C6)C4)C5)cn3nc2-c2ccoc2)co1 ZINC000141600867 569355086 /nfs/dbraw/zinc/35/50/86/569355086.db2.gz MYKGZCAKUQQOJB-UHFFFAOYSA-N 0 0 400.482 5.403 40 0 HKABRN C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1nccs1 ZINC000141984956 569355076 /nfs/dbraw/zinc/35/50/76/569355076.db2.gz MOJMEFIHXZGVMC-AWEZNQCLSA-N 0 0 406.536 5.320 40 0 HKABRN C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1nccs1 ZINC000141985178 569355013 /nfs/dbraw/zinc/35/50/13/569355013.db2.gz MOJMEFIHXZGVMC-CQSZACIVSA-N 0 0 406.536 5.320 40 0 HKABRN Nc1c2cc3c(nc2sc1C(=O)N1c2ccccc2CCc2ccccc21)CCC3 ZINC000142373520 569355052 /nfs/dbraw/zinc/35/50/52/569355052.db2.gz BZLHBZQXLWWEJU-UHFFFAOYSA-N 0 0 411.530 5.444 40 0 HKABRN O=C(NCCC1=CCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000142552099 569355057 /nfs/dbraw/zinc/35/50/57/569355057.db2.gz WDRSBPIBEPSTSZ-VWLOTQADSA-N 0 0 420.578 5.081 40 0 HKABRN O=C(NCCC1=CCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000142552287 569355085 /nfs/dbraw/zinc/35/50/85/569355085.db2.gz WDRSBPIBEPSTSZ-RUZDIDTESA-N 0 0 420.578 5.081 40 0 HKABRN COc1cccc(C(=O)Oc2ccccc2NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000143061831 569355010 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Cc1nn(-c2ccccc2)c2nc(-c3ccc(Cl)cc3)cc(-c3ccc(C)cc3)c12 ZINC000143804936 569355065 /nfs/dbraw/zinc/35/50/65/569355065.db2.gz FMJUXEWXPNIIAY-UHFFFAOYSA-N 0 0 409.920 7.025 40 0 HKABRN CCOc1ccc2nc(NC(=O)c3sc4nc(C(C)C)ccc4c3N)sc2c1 ZINC000144577566 569355175 /nfs/dbraw/zinc/35/51/75/569355175.db2.gz QLABBEFZOHVFCF-UHFFFAOYSA-N 0 0 412.540 5.263 40 0 HKABRN O=C(Nc1ccccc1Oc1ccccc1)c1cccc(I)c1 ZINC000145754981 559272627 /nfs/dbraw/zinc/27/26/27/559272627.db2.gz LYUMHDHARKSMQP-UHFFFAOYSA-N 0 0 415.230 5.336 40 0 HKABRN O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccc(I)c1 ZINC000147863655 560556844 /nfs/dbraw/zinc/55/68/44/560556844.db2.gz QJRLFQFZENPABC-UHFFFAOYSA-N 0 0 413.214 5.443 40 0 HKABRN O=C(Nc1c(Cl)cccc1Cl)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000147886402 559269258 /nfs/dbraw/zinc/26/92/58/559269258.db2.gz DWOOEPIPZVQIOI-UHFFFAOYSA-N 0 0 409.272 5.735 40 0 HKABRN Clc1cc(Nc2ccccc2I)nc(-c2ccccc2)n1 ZINC000159028251 569211360 /nfs/dbraw/zinc/21/13/60/569211360.db2.gz ZELWVKDPVQXSRQ-UHFFFAOYSA-N 0 0 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Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)s2)cc1 ZINC000195529911 569238781 /nfs/dbraw/zinc/23/87/81/569238781.db2.gz PSODWQFXHRFFAD-WBTNSWJXSA-N 0 0 404.605 5.012 40 0 HKABRN Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)s2)cc1 ZINC000195529913 569238763 /nfs/dbraw/zinc/23/87/63/569238763.db2.gz PSODWQFXHRFFAD-AESZEHBQSA-N 0 0 404.605 5.012 40 0 HKABRN Cc1ccc(Nc2nnc(S[C@H](C)C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)s2)cc1 ZINC000195529914 569238784 /nfs/dbraw/zinc/23/87/84/569238784.db2.gz PSODWQFXHRFFAD-DLTWYDFYSA-N 0 0 404.605 5.012 40 0 HKABRN Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)s2)c1 ZINC000195530139 569238800 /nfs/dbraw/zinc/23/88/00/569238800.db2.gz CDTDYTIROYTOCX-WBTNSWJXSA-N 0 0 404.605 5.012 40 0 HKABRN Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)s2)c1 ZINC000195530141 569238804 /nfs/dbraw/zinc/23/88/04/569238804.db2.gz CDTDYTIROYTOCX-AESZEHBQSA-N 0 0 404.605 5.012 40 0 HKABRN Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)s2)c1 ZINC000195530142 569238769 /nfs/dbraw/zinc/23/87/69/569238769.db2.gz CDTDYTIROYTOCX-DLTWYDFYSA-N 0 0 404.605 5.012 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000196384128 560881750 /nfs/dbraw/zinc/88/17/50/560881750.db2.gz KASMPAFQSMGLIF-UHFFFAOYSA-N 0 0 410.684 6.380 40 0 HKABRN Nc1c2cc3c(nc2sc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl)CCC3 ZINC000197750905 560882786 /nfs/dbraw/zinc/88/27/86/560882786.db2.gz CPUQJVMBMPYZSH-UHFFFAOYSA-N 0 0 412.729 5.580 40 0 HKABRN O=C1[C@H]2[C@H](C(=O)N1c1cc(Cl)cc(Cl)c1)C1c3ccccc3C2c2ccccc21 ZINC000197793709 569355517 /nfs/dbraw/zinc/35/55/17/569355517.db2.gz XZZTZVCPQFIBGS-LIKPIUCQSA-N 0 0 420.295 5.390 40 0 HKABRN O=C1[C@H]2[C@@H](C(=O)N1c1cc(Cl)cc(Cl)c1)C1c3ccccc3C2c2ccccc21 ZINC000197793719 569355503 /nfs/dbraw/zinc/35/55/03/569355503.db2.gz XZZTZVCPQFIBGS-JQBYJRRVSA-N 0 0 420.295 5.390 40 0 HKABRN O=C1[C@@H]2[C@@H](C(=O)N1c1cc(Cl)cc(Cl)c1)C1c3ccccc3C2c2ccccc21 ZINC000197793728 569355535 /nfs/dbraw/zinc/35/55/35/569355535.db2.gz XZZTZVCPQFIBGS-UJKMTWAASA-N 0 0 420.295 5.390 40 0 HKABRN Cc1ccnc(N(C(=O)OC(C)(C)C)c2cccc(I)c2)c1 ZINC000199714454 569284319 /nfs/dbraw/zinc/28/43/19/569284319.db2.gz ZZYKWROVJGOQLJ-UHFFFAOYSA-N 0 0 410.255 5.068 40 0 HKABRN Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(I)cc2)c1 ZINC000199716605 569284346 /nfs/dbraw/zinc/28/43/46/569284346.db2.gz BPGQBBJIMIEQAJ-UHFFFAOYSA-N 0 0 410.255 5.068 40 0 HKABRN CCOC(=O)Cc1c(NC(=O)OC(C)(C)C)cc(C(F)(F)F)cc1C(F)(F)F ZINC000199816346 569284388 /nfs/dbraw/zinc/28/43/88/569284388.db2.gz YRJMBSMJQHHPGB-UHFFFAOYSA-N 0 0 415.330 5.177 40 0 HKABRN COc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000200050210 569355458 /nfs/dbraw/zinc/35/54/58/569355458.db2.gz RYTSEIOLYNFFLW-UHFFFAOYSA-N 0 0 404.491 5.298 40 0 HKABRN O=C(Cc1ccccc1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000201058706 569355537 /nfs/dbraw/zinc/35/55/37/569355537.db2.gz OHQXSYRBTVXHGG-UHFFFAOYSA-N 0 0 415.496 6.145 40 0 HKABRN CC1(C)c2cc(Br)ccc2-c2c1cc(Br)c1ccccc21 ZINC000202398323 568419003 /nfs/dbraw/zinc/41/90/03/568419003.db2.gz VYTHKOHPRYCPON-UHFFFAOYSA-N 0 0 402.129 6.671 40 0 HKABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)Nc1cccc2ccccc21 ZINC000205612451 568434070 /nfs/dbraw/zinc/43/40/70/568434070.db2.gz DAYJJVCEYDJONM-KQWNVCNZSA-N 0 0 412.514 5.619 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2cccc3ccccc32)c1 ZINC000205612759 568434072 /nfs/dbraw/zinc/43/40/72/568434072.db2.gz VDYGXJXGQADQKM-KQWNVCNZSA-N 0 0 412.514 5.619 40 0 HKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2cccc3ccccc32)cc1 ZINC000205613079 568434041 /nfs/dbraw/zinc/43/40/41/568434041.db2.gz BXNDUZJCNYMFRM-KQWNVCNZSA-N 0 0 412.514 5.619 40 0 HKABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)Nc1ccc2ccccc2c1 ZINC000205613353 568434010 /nfs/dbraw/zinc/43/40/10/568434010.db2.gz CNMNGEFIAVLVAU-KQWNVCNZSA-N 0 0 412.514 5.619 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc3ccccc3c2)c1 ZINC000205613757 568434096 /nfs/dbraw/zinc/43/40/96/568434096.db2.gz WZYKFOUHDIEJAT-KQWNVCNZSA-N 0 0 412.514 5.619 40 0 HKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000205614031 568434016 /nfs/dbraw/zinc/43/40/16/568434016.db2.gz PCUYDCZAOXLERL-KQWNVCNZSA-N 0 0 412.514 5.619 40 0 HKABRN CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O ZINC000205662327 569355525 /nfs/dbraw/zinc/35/55/25/569355525.db2.gz YUJWQVOWGIQFAV-PBONPNGBSA-N 0 0 413.882 5.252 40 0 HKABRN CC(C)c1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 ZINC000205662472 569355523 /nfs/dbraw/zinc/35/55/23/569355523.db2.gz BSKJMCOITGBOIX-FBCYGCLPSA-N 0 0 415.898 5.429 40 0 HKABRN O=C1OC(c2ccccc2Cl)=N/C1=C/c1cccc(OCc2ccc(F)cc2)c1 ZINC000205665832 569355533 /nfs/dbraw/zinc/35/55/33/569355533.db2.gz MKRFIRUICGOEOI-FYJGNVAPSA-N 0 0 407.828 5.403 40 0 HKABRN O=C1OC(c2ccccc2Cl)=N/C1=C/c1cccc(OCc2ccccc2Cl)c1 ZINC000205667266 569355422 /nfs/dbraw/zinc/35/54/22/569355422.db2.gz AYMPLLNQJCEGGG-FYJGNVAPSA-N 0 0 424.283 5.917 40 0 HKABRN O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccc(F)cc1Cl ZINC000205683817 569355574 /nfs/dbraw/zinc/35/55/74/569355574.db2.gz QIONUENWEUHTCQ-PJQLUOCWSA-N 0 0 416.688 6.022 40 0 HKABRN O=C1OC(c2cccc(F)c2)=N/C1=C/c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000205709244 569355597 /nfs/dbraw/zinc/35/55/97/569355597.db2.gz MPDYRGVGIUFXJV-CIAFOILYSA-N 0 0 407.828 5.403 40 0 HKABRN Cc1ccccc1C1=N/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)O1 ZINC000205763459 569355624 /nfs/dbraw/zinc/35/56/24/569355624.db2.gz HHYLAJLVXJTAJC-HYARGMPZSA-N 0 0 403.865 5.572 40 0 HKABRN O=C1S/C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1Cc1ccccc1 ZINC000206213459 569355718 /nfs/dbraw/zinc/35/57/18/569355718.db2.gz PRPOSGLNYLCCBD-PXLXIMEGSA-N 0 0 401.487 5.502 40 0 HKABRN CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)Nc1ccc(O)cc1C ZINC000206520964 569355717 /nfs/dbraw/zinc/35/57/17/569355717.db2.gz WUZWFRWVRHLXHZ-SHDWVJIKSA-N 0 0 409.614 7.785 40 0 HKABRN O=C(Nc1ccc(Br)c(Cl)c1)/C(=C/c1ccccc1)c1ccccc1 ZINC000207046152 569355766 /nfs/dbraw/zinc/35/57/66/569355766.db2.gz WMFQCXIANLOLRI-QGOAFFKASA-N 0 0 412.714 6.282 40 0 HKABRN Cc1ccc(Cn2cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c3ccccc32)cc1 ZINC000208689993 569355856 /nfs/dbraw/zinc/35/58/56/569355856.db2.gz TXHIPIRQAXLYHM-IWIPYMOSSA-N 0 0 424.525 6.239 40 0 HKABRN CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(Cc2cccc3ccccc32)C1=O ZINC000209557546 568460890 /nfs/dbraw/zinc/46/08/90/568460890.db2.gz MABBPYXIRLVCHN-FYJGNVAPSA-N 0 0 423.921 6.128 40 0 HKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 ZINC000209940235 568453923 /nfs/dbraw/zinc/45/39/23/568453923.db2.gz CYJSNZBHAMEETA-GOTSBHOMSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 ZINC000209940270 568453843 /nfs/dbraw/zinc/45/38/43/568453843.db2.gz CYJSNZBHAMEETA-DHIUTWEWSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 ZINC000209940303 568453911 /nfs/dbraw/zinc/45/39/11/568453911.db2.gz CYJSNZBHAMEETA-PKTZIBPZSA-N 0 0 414.509 5.189 40 0 HKABRN COc1ccccc1N1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000210130526 569355840 /nfs/dbraw/zinc/35/58/40/569355840.db2.gz YKQJMJUNLOYEOX-UNOMPAQXSA-N 0 0 411.866 5.850 40 0 HKABRN CCCCOc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000210198120 569355819 /nfs/dbraw/zinc/35/58/19/569355819.db2.gz YUWRUAJZFACYFS-XDHOZWIPSA-N 0 0 417.914 5.768 40 0 HKABRN CCCCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000210200906 568486183 /nfs/dbraw/zinc/48/61/83/568486183.db2.gz IPBQNZBJGGQOPP-CPNJWEJPSA-N 0 0 417.914 5.768 40 0 HKABRN Cc1c([C@H](N[S@@](=O)C(C)(C)C)C(F)(F)F)sc2nc(-c3ccccc3)cn12 ZINC000211441186 569355941 /nfs/dbraw/zinc/35/59/41/569355941.db2.gz GNXIIPIKXAPPEZ-QZXCRCNTSA-N 0 0 415.506 5.026 40 0 HKABRN O=C(NC1CCCCCCC1)/C(=C\c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000211521963 569356039 /nfs/dbraw/zinc/35/60/39/569356039.db2.gz RZWXFIBQQQXXAI-JJIBRWJFSA-N 0 0 415.537 5.168 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 ZINC000212014383 569356109 /nfs/dbraw/zinc/35/61/09/569356109.db2.gz CXOKUHSDIISOGV-JOCHJYFZSA-N 0 0 420.896 5.042 40 0 HKABRN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2Cl)C1=O ZINC000214064303 569356119 /nfs/dbraw/zinc/35/61/19/569356119.db2.gz UIMDJGQUMDWLEE-ONDHQXCVSA-N 0 0 401.915 5.754 40 0 HKABRN CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2Cl)C1=O ZINC000214064368 569356157 /nfs/dbraw/zinc/35/61/57/569356157.db2.gz UIMDJGQUMDWLEE-BXUJETTOSA-N 0 0 401.915 5.754 40 0 HKABRN O=C1S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1Cc1ccccc1 ZINC000214067282 569356181 /nfs/dbraw/zinc/35/61/81/569356181.db2.gz ISBZMJHCIMTUDA-HYARGMPZSA-N 0 0 419.477 5.641 40 0 HKABRN COc1cc(Cl)c(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC ZINC000214081731 569356163 /nfs/dbraw/zinc/35/61/63/569356163.db2.gz KJUBKDMUGQOSJA-CAOOACKPSA-N 0 0 424.305 5.247 40 0 HKABRN O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccccc1Cl ZINC000214092893 569356142 /nfs/dbraw/zinc/35/61/42/569356142.db2.gz CSJPKXGJNOBJAG-KGENOOAVSA-N 0 0 421.905 6.369 40 0 HKABRN COc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2Cl)C1=O ZINC000214103082 569356191 /nfs/dbraw/zinc/35/61/91/569356191.db2.gz GOKNHSPMWXWZIW-UDWIEESQSA-N 0 0 409.894 5.738 40 0 HKABRN O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1ccccc1Cl ZINC000214103397 558943051 /nfs/dbraw/zinc/94/30/51/558943051.db2.gz PPCOFVHDUWTEKI-OQLLNIDSSA-N 0 0 408.704 5.339 40 0 HKABRN O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1Cc1ccccc1Cl ZINC000214103458 569356135 /nfs/dbraw/zinc/35/61/35/569356135.db2.gz ISKDLINKNXVXEX-OQLLNIDSSA-N 0 0 408.704 5.339 40 0 HKABRN CC(C)n1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)c2ccccc21 ZINC000214112136 569356121 /nfs/dbraw/zinc/35/61/21/569356121.db2.gz ZFWSJZOCAKOXJK-RGVLZGJSSA-N 0 0 410.926 6.112 40 0 HKABRN COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)c2ccccc12 ZINC000214135863 569356201 /nfs/dbraw/zinc/35/62/01/569356201.db2.gz KENZIPKQFZRTIY-UDWIEESQSA-N 0 0 409.894 5.738 40 0 HKABRN CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2Cl)C1=O ZINC000214136797 569356195 /nfs/dbraw/zinc/35/61/95/569356195.db2.gz FHZZNQLDWXSJDJ-FYJGNVAPSA-N 0 0 423.921 6.128 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCC ZINC000214138769 569356227 /nfs/dbraw/zinc/35/62/27/569356227.db2.gz VYYLFXNQYPWJGG-LDADJPATSA-N 0 0 417.914 5.374 40 0 HKABRN O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000214143499 558959015 /nfs/dbraw/zinc/95/90/15/558959015.db2.gz DFQGDFLPZYNQEZ-KGENOOAVSA-N 0 0 421.905 6.369 40 0 HKABRN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000214150734 569356171 /nfs/dbraw/zinc/35/61/71/569356171.db2.gz ZLGUFPDEIZGIIG-ONDHQXCVSA-N 0 0 401.915 5.754 40 0 HKABRN CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000214150794 558962521 /nfs/dbraw/zinc/96/25/21/558962521.db2.gz ZLGUFPDEIZGIIG-BXUJETTOSA-N 0 0 401.915 5.754 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@H](C)CC ZINC000214157751 569356179 /nfs/dbraw/zinc/35/61/79/569356179.db2.gz LCGODCCAUWFDEP-ZFMLPXDISA-N 0 0 411.523 5.499 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@@H](C)CC ZINC000214157809 569356161 /nfs/dbraw/zinc/35/61/61/569356161.db2.gz LCGODCCAUWFDEP-YIRPMMGJSA-N 0 0 411.523 5.499 40 0 HKABRN Cc1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4ccccc4)C3=O)cc2)c1 ZINC000214161214 569356123 /nfs/dbraw/zinc/35/61/23/569356123.db2.gz UUSFMEREGUQBHL-HZHRSRAPSA-N 0 0 415.514 5.811 40 0 HKABRN Cc1cccc(COc2ccccc2/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c1 ZINC000214161270 569356167 /nfs/dbraw/zinc/35/61/67/569356167.db2.gz VJJOHPVHYKCSQV-HZHRSRAPSA-N 0 0 415.514 5.811 40 0 HKABRN O=C1S/C(=C/c2ccccc2Br)C(=O)N1Cc1ccc(Cl)cc1 ZINC000214162645 569356115 /nfs/dbraw/zinc/35/61/15/569356115.db2.gz HFKSKCKJRCGISJ-OQLLNIDSSA-N 0 0 408.704 5.339 40 0 HKABRN O=C1S/C(=C/c2ccc(-c3ccccc3)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000214165123 569356116 /nfs/dbraw/zinc/35/61/16/569356116.db2.gz DQHFUYKQMJAEHX-KGENOOAVSA-N 0 0 405.906 6.244 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OC(C)C ZINC000214200685 569356155 /nfs/dbraw/zinc/35/61/55/569356155.db2.gz ZLLMHQANIWZDTI-UDWIEESQSA-N 0 0 415.486 5.248 40 0 HKABRN O=C1S/C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000214201783 569356149 /nfs/dbraw/zinc/35/61/49/569356149.db2.gz RTHAEKOEMMFJHL-HYARGMPZSA-N 0 0 419.477 5.641 40 0 HKABRN CC(C)n1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000214205985 569356140 /nfs/dbraw/zinc/35/61/40/569356140.db2.gz GGHKGDIPBNOFFL-RGVLZGJSSA-N 0 0 410.926 6.112 40 0 HKABRN O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000214229353 569356138 /nfs/dbraw/zinc/35/61/38/569356138.db2.gz PSMMBTYAIQMDRM-KGENOOAVSA-N 0 0 405.450 5.855 40 0 HKABRN O=C1S/C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1Cc1ccccc1F ZINC000214341515 558987915 /nfs/dbraw/zinc/98/79/15/558987915.db2.gz ZHBIBCKDBJPPND-HYARGMPZSA-N 0 0 419.477 5.641 40 0 HKABRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1ccccc1F ZINC000214343270 569356305 /nfs/dbraw/zinc/35/63/05/569356305.db2.gz HKNIIBQPIFJGGX-YBFXNURJSA-N 0 0 413.857 5.976 40 0 HKABRN CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2F)C1=O ZINC000214350765 569356269 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COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(OC)c1 ZINC000214388411 569356324 /nfs/dbraw/zinc/35/63/24/569356324.db2.gz XSYVVAIDXVHHFC-REZTVBANSA-N 0 0 424.305 5.247 40 0 HKABRN COc1cccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1OC ZINC000214397207 569356312 /nfs/dbraw/zinc/35/63/12/569356312.db2.gz CCXCFKKDWNLMLX-LZYBPNLTSA-N 0 0 424.305 5.247 40 0 HKABRN COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1 ZINC000214397270 569356267 /nfs/dbraw/zinc/35/62/67/569356267.db2.gz OMHFNWUPIREUIS-CAOOACKPSA-N 0 0 424.305 5.247 40 0 HKABRN Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000214399935 569356285 /nfs/dbraw/zinc/35/62/85/569356285.db2.gz PBGWLTPQWDNXLX-GIJQJNRQSA-N 0 0 417.317 6.020 40 0 HKABRN Cn1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c2ccccc21 ZINC000214405845 569356278 /nfs/dbraw/zinc/35/62/78/569356278.db2.gz ZACWTEPJJQKHNN-QGMBQPNBSA-N 0 0 417.317 5.722 40 0 HKABRN O=C1S/C(=C/c2cccc3ccccc23)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214407553 569356338 /nfs/dbraw/zinc/35/63/38/569356338.db2.gz RMVAEPFANCQWGT-VXLYETTFSA-N 0 0 414.313 6.383 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1O ZINC000214410953 560892114 /nfs/dbraw/zinc/89/21/14/560892114.db2.gz WKGAVZMSRVVWKG-CAOOACKPSA-N 0 0 424.305 5.334 40 0 HKABRN CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000214425154 569356294 /nfs/dbraw/zinc/35/62/94/569356294.db2.gz PBIBZEMOUCORNV-BUHHDHKDSA-N 0 0 404.318 6.176 40 0 HKABRN CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000214425899 569356272 /nfs/dbraw/zinc/35/62/72/569356272.db2.gz YOWGUTXIXSELLX-CAOOACKPSA-N 0 0 422.289 5.155 40 0 HKABRN COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000214427933 569356314 /nfs/dbraw/zinc/35/63/14/569356314.db2.gz RQSHKECXFMTWPI-CAOOACKPSA-N 0 0 424.305 5.247 40 0 HKABRN CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000214428429 569356280 /nfs/dbraw/zinc/35/62/80/569356280.db2.gz PTVNXPSIXJPGBY-RQZCQDPDSA-N 0 0 408.306 5.629 40 0 HKABRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc(OC)c1 ZINC000214430492 569356316 /nfs/dbraw/zinc/35/63/16/569356316.db2.gz MMHQHVVGGBVOBP-REZTVBANSA-N 0 0 424.305 5.247 40 0 HKABRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1C ZINC000214443411 569281504 /nfs/dbraw/zinc/28/15/04/569281504.db2.gz MHUXKWMIGYNVQA-CAOOACKPSA-N 0 0 408.306 5.547 40 0 HKABRN O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214444249 569356297 /nfs/dbraw/zinc/35/62/97/569356297.db2.gz DCFRBMPJKCICGE-GIDUJCDVSA-N 0 0 414.697 5.589 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OC(C)C ZINC000214446583 569356344 /nfs/dbraw/zinc/35/63/44/569356344.db2.gz ZEFKXSSSZURIMM-FYJGNVAPSA-N 0 0 411.523 5.417 40 0 HKABRN CC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(Cc4ccc(C)cc4)C3=O)o2)cc1 ZINC000214447894 569356266 /nfs/dbraw/zinc/35/62/66/569356266.db2.gz IVEOSWSBJKSMED-LPYMAVHISA-N 0 0 417.486 5.694 40 0 HKABRN Cc1ccc(CN2C(=O)S/C(=C/c3cccc(OCc4ccccc4)c3)C2=O)cc1 ZINC000214462645 569356326 /nfs/dbraw/zinc/35/63/26/569356326.db2.gz JNSYEFSQXPERFT-HZHRSRAPSA-N 0 0 415.514 5.811 40 0 HKABRN Cc1ccc(CN2C(=O)S/C(=C/c3cccc(Oc4ccccc4)c3)C2=O)cc1 ZINC000214484875 569356265 /nfs/dbraw/zinc/35/62/65/569356265.db2.gz GVSDFRNFVNSINU-PXLXIMEGSA-N 0 0 401.487 6.024 40 0 HKABRN Cc1cccc(CN2C(=O)S/C(=C/c3c(OC(C)C)ccc4ccccc43)C2=O)c1 ZINC000214553006 569356405 /nfs/dbraw/zinc/35/64/05/569356405.db2.gz KQUIOKIXBDNSGM-OEAKJJBVSA-N 0 0 417.530 6.172 40 0 HKABRN Cc1cccc(CN2C(=O)S/C(=C/c3ccc(F)c(Br)c3)C2=O)c1 ZINC000214582487 569281605 /nfs/dbraw/zinc/28/16/05/569281605.db2.gz IWBFHDYNYZGIFP-CXUHLZMHSA-N 0 0 406.276 5.133 40 0 HKABRN Cc1ccc(CN2C(=O)S/C(=C/c3c(OC(C)C)ccc4ccccc43)C2=O)cc1 ZINC000214584202 569356440 /nfs/dbraw/zinc/35/64/40/569356440.db2.gz HRHJMVUINDCDIW-OEAKJJBVSA-N 0 0 417.530 6.172 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OC(C)C ZINC000214588812 569356466 /nfs/dbraw/zinc/35/64/66/569356466.db2.gz VTIVNLHHYIQPKL-FYJGNVAPSA-N 0 0 411.523 5.417 40 0 HKABRN CC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(Cc4cccc(C)c4)C3=O)o2)cc1 ZINC000214588920 569356402 /nfs/dbraw/zinc/35/64/02/569356402.db2.gz AUHRXCMBDRCORC-LPYMAVHISA-N 0 0 417.486 5.694 40 0 HKABRN Cc1cccc(CN2C(=O)S/C(=C/c3ccccc3OCc3ccccc3)C2=O)c1 ZINC000214594884 569356442 /nfs/dbraw/zinc/35/64/42/569356442.db2.gz PNZUDRFPLMBEFH-HZHRSRAPSA-N 0 0 415.514 5.811 40 0 HKABRN COc1ccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc1Br ZINC000214609439 558258477 /nfs/dbraw/zinc/25/84/77/558258477.db2.gz NXOHXXKSWNGKGL-LICLKQGHSA-N 0 0 418.312 5.003 40 0 HKABRN Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)c1 ZINC000214613439 558258689 /nfs/dbraw/zinc/25/86/89/558258689.db2.gz BPXJNOYWNMXPLU-UDWIEESQSA-N 0 0 409.894 6.145 40 0 HKABRN COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2cccc(C)c2)C1=O ZINC000214622536 558260343 /nfs/dbraw/zinc/26/03/43/558260343.db2.gz AVIOBYWZEPJPSN-LICLKQGHSA-N 0 0 418.312 5.003 40 0 HKABRN Cc1cccc(CN2C(=O)S/C(=C/c3cccc(Oc4ccccc4)c3)C2=O)c1 ZINC000214623276 558260371 /nfs/dbraw/zinc/26/03/71/558260371.db2.gz QCAKTZIQGDRILQ-PXLXIMEGSA-N 0 0 401.487 6.024 40 0 HKABRN Cc1cccc(CN2C(=O)S/C(=C/c3cccc(OCc4ccccc4)c3)C2=O)c1 ZINC000214624117 558260264 /nfs/dbraw/zinc/26/02/64/558260264.db2.gz NYDJWEQPQVYFBA-HZHRSRAPSA-N 0 0 415.514 5.811 40 0 HKABRN Cc1cccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000214627311 558261421 /nfs/dbraw/zinc/26/14/21/558261421.db2.gz GXCUZVNVFDBSED-HZHRSRAPSA-N 0 0 415.514 5.811 40 0 HKABRN CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2cccc(C)c2)C1=O ZINC000214627710 558261656 /nfs/dbraw/zinc/26/16/56/558261656.db2.gz MUVZOEIOTAVOHS-HYARGMPZSA-N 0 0 403.503 5.783 40 0 HKABRN CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000214702181 558263653 /nfs/dbraw/zinc/26/36/53/558263653.db2.gz OUDMAGTUMNXDLP-RQZCQDPDSA-N 0 0 422.289 5.155 40 0 HKABRN O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214705027 558263357 /nfs/dbraw/zinc/26/33/57/558263357.db2.gz UEGCOOMQTPGHOS-VIZOYTHASA-N 0 0 414.697 5.589 40 0 HKABRN COc1cccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c1OC ZINC000214714338 558263340 /nfs/dbraw/zinc/26/33/40/558263340.db2.gz SYBOKNHJKKYAGU-CXUHLZMHSA-N 0 0 424.305 5.247 40 0 HKABRN COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c1 ZINC000214714385 558263440 /nfs/dbraw/zinc/26/34/40/558263440.db2.gz SIHDOSXPJTYPOG-RQZCQDPDSA-N 0 0 424.305 5.247 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1O ZINC000214715658 558263580 /nfs/dbraw/zinc/26/35/80/558263580.db2.gz GFHPWWVNOKMXJY-RQZCQDPDSA-N 0 0 424.305 5.334 40 0 HKABRN COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000214715822 558263576 /nfs/dbraw/zinc/26/35/76/558263576.db2.gz JZANHFUZDBRWSE-CXUHLZMHSA-N 0 0 422.289 5.017 40 0 HKABRN COc1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c(OC)c1 ZINC000214718732 558263633 /nfs/dbraw/zinc/26/36/33/558263633.db2.gz HSGPRYVSZRPKCT-CAOOACKPSA-N 0 0 424.305 5.247 40 0 HKABRN CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000214766950 569356444 /nfs/dbraw/zinc/35/64/44/569356444.db2.gz SWNKXCZFGOJBOS-RQZCQDPDSA-N 0 0 422.289 5.155 40 0 HKABRN Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000214770084 558277484 /nfs/dbraw/zinc/27/74/84/558277484.db2.gz QTFPBALMCSKXSC-GIJQJNRQSA-N 0 0 417.317 6.020 40 0 HKABRN COc1cccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c1OC ZINC000214770136 558277479 /nfs/dbraw/zinc/27/74/79/558277479.db2.gz QWPCKQKDHWHIPC-CXUHLZMHSA-N 0 0 424.305 5.247 40 0 HKABRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1C ZINC000214770699 569356438 /nfs/dbraw/zinc/35/64/38/569356438.db2.gz RODCXRXHMWVVLW-RQZCQDPDSA-N 0 0 408.306 5.547 40 0 HKABRN COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000214771212 558277643 /nfs/dbraw/zinc/27/76/43/558277643.db2.gz NWKLZMJJUKVURT-RQZCQDPDSA-N 0 0 424.305 5.247 40 0 HKABRN O=C1S/C(=C/c2cccc3ccccc23)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214775495 558362205 /nfs/dbraw/zinc/36/22/05/558362205.db2.gz BJWINYQHEYEUBY-YBFXNURJSA-N 0 0 414.313 6.383 40 0 HKABRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1 ZINC000214775815 558362156 /nfs/dbraw/zinc/36/21/56/558362156.db2.gz DSMCUMZYVQDWAQ-CAOOACKPSA-N 0 0 424.305 5.247 40 0 HKABRN COc1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1OC ZINC000214787372 569356446 /nfs/dbraw/zinc/35/64/46/569356446.db2.gz LOKFYDURIGXOPS-RQZCQDPDSA-N 0 0 424.305 5.247 40 0 HKABRN Cn1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 ZINC000214801141 558529460 /nfs/dbraw/zinc/52/94/60/558529460.db2.gz CLVXINUZSXFLMA-GIJQJNRQSA-N 0 0 417.317 5.722 40 0 HKABRN Cn1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c2ccccc21 ZINC000214804537 569356451 /nfs/dbraw/zinc/35/64/51/569356451.db2.gz ZFGJYXBVDOUMSO-GIJQJNRQSA-N 0 0 417.317 5.722 40 0 HKABRN COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000214815482 569356400 /nfs/dbraw/zinc/35/64/00/569356400.db2.gz FWQHSVYHOYAGRR-CXUHLZMHSA-N 0 0 422.289 5.017 40 0 HKABRN COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(OC)c1 ZINC000214815822 569356413 /nfs/dbraw/zinc/35/64/13/569356413.db2.gz REQHXAYFQHKDHU-CAOOACKPSA-N 0 0 424.305 5.247 40 0 HKABRN O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214818548 569356398 /nfs/dbraw/zinc/35/63/98/569356398.db2.gz RKKZTPGHCDYWIB-CAOOACKPSA-N 0 0 403.290 5.711 40 0 HKABRN COc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1C ZINC000214819541 569356391 /nfs/dbraw/zinc/35/63/91/569356391.db2.gz PRUUIRRHRODBGS-RQZCQDPDSA-N 0 0 408.306 5.547 40 0 HKABRN Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000214834483 558728918 /nfs/dbraw/zinc/72/89/18/558728918.db2.gz QZMMTFDSWZYLJU-GIJQJNRQSA-N 0 0 417.317 6.020 40 0 HKABRN O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1cccc2ccccc21 ZINC000214844124 569356396 /nfs/dbraw/zinc/35/63/96/569356396.db2.gz WTGRYWDCXDESEI-YBFXNURJSA-N 0 0 414.313 6.383 40 0 HKABRN CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000214845936 568457948 /nfs/dbraw/zinc/45/79/48/568457948.db2.gz QSOUKOCWYZSFJT-FYJGNVAPSA-N 0 0 403.459 5.002 40 0 HKABRN O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1Cc1cccc2ccccc21 ZINC000214850211 569356464 /nfs/dbraw/zinc/35/64/64/569356464.db2.gz DDSSKKZKUHGTIQ-WOJGMQOQSA-N 0 0 414.313 6.383 40 0 HKABRN COc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)cc(OC)c1 ZINC000214860182 569356473 /nfs/dbraw/zinc/35/64/73/569356473.db2.gz UBLRTWDGDLEFRP-CIAFOILYSA-N 0 0 405.475 5.094 40 0 HKABRN CCOc1c(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)cccc1OC ZINC000214868871 569356468 /nfs/dbraw/zinc/35/64/68/569356468.db2.gz GRNVCPRQJBDUDD-KGENOOAVSA-N 0 0 419.502 5.484 40 0 HKABRN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2cccc3ccccc32)C1=O ZINC000214871266 569356479 /nfs/dbraw/zinc/35/64/79/569356479.db2.gz MYENBHNWVIGLNL-HAFIMRKLSA-N 0 0 417.530 6.254 40 0 HKABRN CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2cccc3ccccc32)C1=O ZINC000214871317 569356408 /nfs/dbraw/zinc/35/64/08/569356408.db2.gz MYENBHNWVIGLNL-BDFKGGEMSA-N 0 0 417.530 6.254 40 0 HKABRN CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000214880163 569356460 /nfs/dbraw/zinc/35/64/60/569356460.db2.gz YGIXTXGWWDWRQK-BUHHDHKDSA-N 0 0 404.318 6.176 40 0 HKABRN COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000214883374 569356395 /nfs/dbraw/zinc/35/63/95/569356395.db2.gz XECAOOJWOJJXQH-RQZCQDPDSA-N 0 0 424.305 5.247 40 0 HKABRN CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2ccc(Br)cc2)C1=O ZINC000214891947 568418383 /nfs/dbraw/zinc/41/83/83/568418383.db2.gz XQBKJVFCXXXDET-JOEZZVDMSA-N 0 0 414.324 5.632 40 0 HKABRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1C ZINC000214897807 569356401 /nfs/dbraw/zinc/35/64/01/569356401.db2.gz KZRDNZLRHFVWNS-LICLKQGHSA-N 0 0 418.312 5.003 40 0 HKABRN O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000214908313 569356404 /nfs/dbraw/zinc/35/64/04/569356404.db2.gz ORVIVVBYBCGRDG-VDHUBAETSA-N 0 0 400.297 5.242 40 0 HKABRN O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000214908357 569356399 /nfs/dbraw/zinc/35/63/99/569356399.db2.gz ORVIVVBYBCGRDG-AQHRCUNFSA-N 0 0 400.297 5.242 40 0 HKABRN O=C1S/C(=C/c2cccc3ccccc23)C(=O)N1Cc1ccc(Br)cc1 ZINC000214928663 569356474 /nfs/dbraw/zinc/35/64/74/569356474.db2.gz RCJDLKBENFDREW-XDHOZWIPSA-N 0 0 424.319 5.839 40 0 HKABRN O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000214945172 569356403 /nfs/dbraw/zinc/35/64/03/569356403.db2.gz LKGWXUZNHXFBDI-OQLLNIDSSA-N 0 0 408.704 5.339 40 0 HKABRN O=C1S/C(=C/c2ccccc2Cl)C(=O)N1Cc1ccc(Br)cc1 ZINC000214946209 569356425 /nfs/dbraw/zinc/35/64/25/569356425.db2.gz PUTJCWUDGRVXNW-OQLLNIDSSA-N 0 0 408.704 5.339 40 0 HKABRN O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1ccccc1Br ZINC000214962582 569356428 /nfs/dbraw/zinc/35/64/28/569356428.db2.gz IFRQBDABNSGHOY-CGVLLOTDSA-N 0 0 400.297 5.242 40 0 HKABRN O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1ccccc1Br ZINC000214962625 569356471 /nfs/dbraw/zinc/35/64/71/569356471.db2.gz IFRQBDABNSGHOY-YIERNNEGSA-N 0 0 400.297 5.242 40 0 HKABRN CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2ccccc2Br)C1=O ZINC000214963774 569356406 /nfs/dbraw/zinc/35/64/06/569356406.db2.gz VGXBCAVVSDUIBY-JOEZZVDMSA-N 0 0 414.324 5.632 40 0 HKABRN CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc1 ZINC000214968624 569356415 /nfs/dbraw/zinc/35/64/15/569356415.db2.gz WRNIKGKRHNTWKL-GZTJUZNOSA-N 0 0 418.312 5.084 40 0 HKABRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1C ZINC000214970911 569356476 /nfs/dbraw/zinc/35/64/76/569356476.db2.gz RCSVWHUVYXSADE-LICLKQGHSA-N 0 0 418.312 5.003 40 0 HKABRN O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccccc1Br ZINC000214973117 569356417 /nfs/dbraw/zinc/35/64/17/569356417.db2.gz JMUQKQYWUHACIL-OVCLIPMQSA-N 0 0 424.703 5.045 40 0 HKABRN O=C1S/C(=C/c2cccc3ccccc23)C(=O)N1Cc1ccccc1Br ZINC000215010751 569356433 /nfs/dbraw/zinc/35/64/33/569356433.db2.gz UAYIZJGWCRGRKK-XDHOZWIPSA-N 0 0 424.319 5.839 40 0 HKABRN O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1Br ZINC000215062520 569356411 /nfs/dbraw/zinc/35/64/11/569356411.db2.gz UUWFFBRMFSYOTM-RQZCQDPDSA-N 0 0 413.296 5.167 40 0 HKABRN O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1Br ZINC000215064453 569356423 /nfs/dbraw/zinc/35/64/23/569356423.db2.gz FNYJECYTKSLWPS-OQLLNIDSSA-N 0 0 408.704 5.339 40 0 HKABRN O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1Cc1ccccc1Br ZINC000215064500 569356430 /nfs/dbraw/zinc/35/64/30/569356430.db2.gz SBQYQNKTVUTINC-OQLLNIDSSA-N 0 0 408.704 5.339 40 0 HKABRN O=C1S/C(=C/c2ccccc2Cl)C(=O)N1Cc1ccccc1Br ZINC000215065740 569356394 /nfs/dbraw/zinc/35/63/94/569356394.db2.gz NTAFOWMHRFGYFH-OQLLNIDSSA-N 0 0 408.704 5.339 40 0 HKABRN CCOc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2Br)C1=O ZINC000215097581 569356392 /nfs/dbraw/zinc/35/63/92/569356392.db2.gz RCHLYKNCWFFVSG-GZTJUZNOSA-N 0 0 418.312 5.084 40 0 HKABRN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O ZINC000215106895 569356435 /nfs/dbraw/zinc/35/64/35/569356435.db2.gz GRHVVGJDTARGAL-BUESGFEBSA-N 0 0 419.905 5.893 40 0 HKABRN CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O ZINC000215106941 569356393 /nfs/dbraw/zinc/35/63/93/569356393.db2.gz GRHVVGJDTARGAL-UZPSYVQNSA-N 0 0 419.905 5.893 40 0 HKABRN CCOc1c(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cccc1OC ZINC000215109063 569356605 /nfs/dbraw/zinc/35/66/05/569356605.db2.gz XYOBWVCWYLDOSV-RQZCQDPDSA-N 0 0 421.877 5.123 40 0 HKABRN Cn1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c2ccccc21 ZINC000215109780 569356579 /nfs/dbraw/zinc/35/65/79/569356579.db2.gz JMZYZVHUMVXTQM-QGMBQPNBSA-N 0 0 400.862 5.207 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OC ZINC000215118330 569356616 /nfs/dbraw/zinc/35/66/16/569356616.db2.gz CKLYGOGVPYMFAA-VCHYOVAHSA-N 0 0 421.877 5.123 40 0 HKABRN CCOc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1OC ZINC000215119365 569356610 /nfs/dbraw/zinc/35/66/10/569356610.db2.gz CILOIOGZAAUZPM-VCHYOVAHSA-N 0 0 421.877 5.123 40 0 HKABRN O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1Cc1ccc(F)cc1Cl ZINC000215122946 569356591 /nfs/dbraw/zinc/35/65/91/569356591.db2.gz SHKXOQLWMCKEBR-MKMNVTDBSA-N 0 0 416.688 6.022 40 0 HKABRN O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1ccc(F)cc1Cl ZINC000215136125 569356625 /nfs/dbraw/zinc/35/66/25/569356625.db2.gz QFCBZLNYRRPKKS-VIZOYTHASA-N 0 0 416.688 6.022 40 0 HKABRN O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000215143483 569356609 /nfs/dbraw/zinc/35/66/09/569356609.db2.gz BRIBXMNPXLHZQQ-VIZOYTHASA-N 0 0 415.795 5.734 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OC ZINC000215154888 569356612 /nfs/dbraw/zinc/35/66/12/569356612.db2.gz FKYWAHNITNYINM-GIJQJNRQSA-N 0 0 421.877 5.123 40 0 HKABRN CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1OC ZINC000215154935 569356673 /nfs/dbraw/zinc/35/66/73/569356673.db2.gz ZEYMXZQYDHULRE-GIJQJNRQSA-N 0 0 421.877 5.123 40 0 HKABRN O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1c(F)cccc1Cl ZINC000215177355 558831722 /nfs/dbraw/zinc/83/17/22/558831722.db2.gz CMTLCKSCEAPDJJ-OVCLIPMQSA-N 0 0 415.795 5.734 40 0 HKABRN O=C1S/C(=C/c2cccc3ccccc23)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000215183723 569356597 /nfs/dbraw/zinc/35/65/97/569356597.db2.gz UBTCODSHCLCGIZ-AWQFTUOYSA-N 0 0 423.877 5.458 40 0 HKABRN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2c(F)cccc2Cl)C1=O ZINC000215268698 569356590 /nfs/dbraw/zinc/35/65/90/569356590.db2.gz XAINZUZIUYKOCJ-OTGIAGGSSA-N 0 0 419.905 5.893 40 0 HKABRN CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2c(F)cccc2Cl)C1=O ZINC000215268746 569356652 /nfs/dbraw/zinc/35/66/52/569356652.db2.gz XAINZUZIUYKOCJ-MDBUFAAASA-N 0 0 419.905 5.893 40 0 HKABRN CCOc1c(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cccc1OC ZINC000215274418 569356653 /nfs/dbraw/zinc/35/66/53/569356653.db2.gz VPAOEDUVSVPGNE-LICLKQGHSA-N 0 0 421.877 5.123 40 0 HKABRN O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1c(F)cccc1Cl ZINC000215370137 560896414 /nfs/dbraw/zinc/89/64/14/560896414.db2.gz WDQIIVBHQBXZQG-GIDUJCDVSA-N 0 0 416.688 6.022 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)/C=C/c3ccc(F)cc3)c2)cc1 ZINC000215822741 568461920 /nfs/dbraw/zinc/46/19/20/568461920.db2.gz NZEJBEFEWLQXIE-CXUHLZMHSA-N 0 0 416.496 6.027 40 0 HKABRN Cc1nn2c(nc(-c3ccc(OC(C)C)cc3)cc2C(F)(F)F)c1Br ZINC000215880936 568462267 /nfs/dbraw/zinc/46/22/67/568462267.db2.gz YILJIKKCNYDPNZ-UHFFFAOYSA-N 0 0 414.225 5.273 40 0 HKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc1C ZINC000216030112 568463016 /nfs/dbraw/zinc/46/30/16/568463016.db2.gz HIWKEYDPMWYZNA-UHFFFAOYSA-N 0 0 419.506 5.149 40 0 HKABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc4ccccc43)o2)cc1C ZINC000216031685 568463061 /nfs/dbraw/zinc/46/30/61/568463061.db2.gz KANHZDUIJOTZLF-UHFFFAOYSA-N 0 0 419.506 5.149 40 0 HKABRN Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)c1 ZINC000216033205 568463081 /nfs/dbraw/zinc/46/30/81/568463081.db2.gz VKAMIMXNTUAEMH-UHFFFAOYSA-N 0 0 419.506 5.149 40 0 HKABRN CCCOc1c(Br)cc(C(=O)Nc2c(C)cccc2Cl)cc1OC ZINC000216096577 560836968 /nfs/dbraw/zinc/83/69/68/560836968.db2.gz AYPXAFSTPTWURG-UHFFFAOYSA-N 0 0 412.711 5.461 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000216145091 568463366 /nfs/dbraw/zinc/46/33/66/568463366.db2.gz WZZZABLUWZBJFH-HHHXNRCGSA-N 0 0 409.529 6.226 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000216145129 568463427 /nfs/dbraw/zinc/46/34/27/568463427.db2.gz WZZZABLUWZBJFH-MHZLTWQESA-N 0 0 409.529 6.226 40 0 HKABRN CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 ZINC000216158782 568463442 /nfs/dbraw/zinc/46/34/42/568463442.db2.gz RCSICXHJKIEZKA-QGZVFWFLSA-N 0 0 410.739 5.385 40 0 HKABRN CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 ZINC000216158823 568463388 /nfs/dbraw/zinc/46/33/88/568463388.db2.gz RCSICXHJKIEZKA-KRWDZBQOSA-N 0 0 410.739 5.385 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc3ccccc32)cc1Cl ZINC000216187371 568463504 /nfs/dbraw/zinc/46/35/04/568463504.db2.gz VJDTUZOAXOMFRL-HXUWFJFHSA-N 0 0 411.885 5.466 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc3ccccc32)cc1Cl ZINC000216187412 568463466 /nfs/dbraw/zinc/46/34/66/568463466.db2.gz VJDTUZOAXOMFRL-FQEVSTJZSA-N 0 0 411.885 5.466 40 0 HKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000216231463 568463757 /nfs/dbraw/zinc/46/37/57/568463757.db2.gz FLUZTGGPGKCJSR-ZBBKGZSWSA-N 0 0 417.593 6.684 40 0 HKABRN CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000216231505 568463784 /nfs/dbraw/zinc/46/37/84/568463784.db2.gz FLUZTGGPGKCJSR-AOXVDABRSA-N 0 0 417.593 6.684 40 0 HKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000216235748 568463772 /nfs/dbraw/zinc/46/37/72/568463772.db2.gz XWEGLSWHKKAPPF-IBGZPJMESA-N 0 0 408.542 5.232 40 0 HKABRN CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000216235794 568463710 /nfs/dbraw/zinc/46/37/10/568463710.db2.gz XWEGLSWHKKAPPF-LJQANCHMSA-N 0 0 408.542 5.232 40 0 HKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000216240573 568463775 /nfs/dbraw/zinc/46/37/75/568463775.db2.gz JUOVKDXWUIZUEE-YSRWDZFWSA-N 0 0 423.984 6.604 40 0 HKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000216240620 568463780 /nfs/dbraw/zinc/46/37/80/568463780.db2.gz JUOVKDXWUIZUEE-XJVZSZGSSA-N 0 0 423.984 6.604 40 0 HKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000216260225 568463851 /nfs/dbraw/zinc/46/38/51/568463851.db2.gz DYVRLOTYGCATKG-AUJBFMOVSA-N 0 0 417.593 6.567 40 0 HKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000216260268 568463866 /nfs/dbraw/zinc/46/38/66/568463866.db2.gz DYVRLOTYGCATKG-MFWYUJQYSA-N 0 0 417.593 6.567 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)cc1OCC ZINC000216266207 568463987 /nfs/dbraw/zinc/46/39/87/568463987.db2.gz ZRMNDTAMCXLFCB-DNVCBOLYSA-N 0 0 405.922 5.172 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)cc1OCC ZINC000216266259 568463955 /nfs/dbraw/zinc/46/39/55/568463955.db2.gz ZRMNDTAMCXLFCB-HNAYVOBHSA-N 0 0 405.922 5.172 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2cccc(Cl)c2)cc1OCC ZINC000216266308 568463967 /nfs/dbraw/zinc/46/39/67/568463967.db2.gz ZRMNDTAMCXLFCB-BEFAXECRSA-N 0 0 405.922 5.172 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2cccc(Cl)c2)cc1OCC ZINC000216266348 568463996 /nfs/dbraw/zinc/46/39/96/568463996.db2.gz ZRMNDTAMCXLFCB-KXBFYZLASA-N 0 0 405.922 5.172 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 ZINC000216269371 568463989 /nfs/dbraw/zinc/46/39/89/568463989.db2.gz QQRHDJKCCGRAAK-RUZDIDTESA-N 0 0 419.590 6.505 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 ZINC000216269413 568464009 /nfs/dbraw/zinc/46/40/09/568464009.db2.gz QQRHDJKCCGRAAK-VWLOTQADSA-N 0 0 419.590 6.505 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccc1C ZINC000216272643 568463958 /nfs/dbraw/zinc/46/39/58/568463958.db2.gz XZFGJTMYLMYIHN-PKTZIBPZSA-N 0 0 409.982 6.425 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccc1C ZINC000216272684 568463941 /nfs/dbraw/zinc/46/39/41/568463941.db2.gz XZFGJTMYLMYIHN-GOTSBHOMSA-N 0 0 409.982 6.425 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](c1ccccc1)c1ccccc1C ZINC000216272723 568463933 /nfs/dbraw/zinc/46/39/33/568463933.db2.gz XZFGJTMYLMYIHN-DHIUTWEWSA-N 0 0 409.982 6.425 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](c1ccccc1)c1ccccc1C ZINC000216272765 568463971 /nfs/dbraw/zinc/46/39/71/568463971.db2.gz XZFGJTMYLMYIHN-XZOQPEGZSA-N 0 0 409.982 6.425 40 0 HKABRN CC(C)c1ccc(OCC(=O)N(C)Cc2ccc(Cl)cc2)c(Br)c1 ZINC000216275865 568464060 /nfs/dbraw/zinc/46/40/60/568464060.db2.gz ZALZHCGXOIPPMS-UHFFFAOYSA-N 0 0 410.739 5.263 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSc1ccc(Cl)cc1 ZINC000216276772 568464165 /nfs/dbraw/zinc/46/41/65/568464165.db2.gz DVTWVNCHWWJGGI-QGZVFWFLSA-N 0 0 400.396 5.773 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSc1ccc(Cl)cc1 ZINC000216276821 568464058 /nfs/dbraw/zinc/46/40/58/568464058.db2.gz DVTWVNCHWWJGGI-KRWDZBQOSA-N 0 0 400.396 5.773 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c(Cl)c1 ZINC000216278257 568464040 /nfs/dbraw/zinc/46/40/40/568464040.db2.gz AJIIFWNCDGCSSQ-CQSZACIVSA-N 0 0 403.906 5.220 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c(Cl)c1 ZINC000216278305 568464111 /nfs/dbraw/zinc/46/41/11/568464111.db2.gz AJIIFWNCDGCSSQ-AWEZNQCLSA-N 0 0 403.906 5.220 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OC ZINC000216278495 568464062 /nfs/dbraw/zinc/46/40/62/568464062.db2.gz ILNBRPURLGXZNY-IBGZPJMESA-N 0 0 421.562 5.413 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OC ZINC000216278547 568464150 /nfs/dbraw/zinc/46/41/50/568464150.db2.gz ILNBRPURLGXZNY-LJQANCHMSA-N 0 0 421.562 5.413 40 0 HKABRN O=C(Nc1ccccc1Br)c1ccc(CN2CCc3ccccc32)cc1 ZINC000216289720 568464090 /nfs/dbraw/zinc/46/40/90/568464090.db2.gz MFVFYAIUGJEXAG-UHFFFAOYSA-N 0 0 407.311 5.264 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000216289782 568464224 /nfs/dbraw/zinc/46/42/24/568464224.db2.gz ZWZDWRBEVJGWLS-UHFFFAOYSA-N 0 0 411.332 6.199 40 0 HKABRN Cc1ccccc1[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000216291791 568464248 /nfs/dbraw/zinc/46/42/48/568464248.db2.gz WBEJHASDSNEYOG-QFIPXVFZSA-N 0 0 400.305 5.586 40 0 HKABRN Cc1ccccc1[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000216291836 568464218 /nfs/dbraw/zinc/46/42/18/568464218.db2.gz WBEJHASDSNEYOG-JOCHJYFZSA-N 0 0 400.305 5.586 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000216295652 568464246 /nfs/dbraw/zinc/46/42/46/568464246.db2.gz WQADYADTHSGIDM-XMMPIXPASA-N 0 0 405.563 6.392 40 0 HKABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000216295697 568464186 /nfs/dbraw/zinc/46/41/86/568464186.db2.gz WQADYADTHSGIDM-DEOSSOPVSA-N 0 0 405.563 6.392 40 0 HKABRN Cc1ccccc1[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000216298390 568464203 /nfs/dbraw/zinc/46/42/03/568464203.db2.gz YAMUSNSRVZFGRT-LJAQVGFWSA-N 0 0 405.541 6.423 40 0 HKABRN Cc1ccccc1[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000216298440 568464266 /nfs/dbraw/zinc/46/42/66/568464266.db2.gz YAMUSNSRVZFGRT-GDLZYMKVSA-N 0 0 405.541 6.423 40 0 HKABRN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000216302333 568464235 /nfs/dbraw/zinc/46/42/35/568464235.db2.gz KESIYPJTCPADMY-UHFFFAOYSA-N 0 0 404.941 5.171 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000216311033 568464305 /nfs/dbraw/zinc/46/43/05/568464305.db2.gz OWJXTFOAUGBLAQ-GOSISDBHSA-N 0 0 414.423 5.914 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000216311078 568464355 /nfs/dbraw/zinc/46/43/55/568464355.db2.gz OWJXTFOAUGBLAQ-SFHVURJKSA-N 0 0 414.423 5.914 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000216312167 568464319 /nfs/dbraw/zinc/46/43/19/568464319.db2.gz IURBVJCSRRZONB-GOSISDBHSA-N 0 0 407.819 6.308 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000216312212 568464398 /nfs/dbraw/zinc/46/43/98/568464398.db2.gz IURBVJCSRRZONB-SFHVURJKSA-N 0 0 407.819 6.308 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000216314352 568464419 /nfs/dbraw/zinc/46/44/19/568464419.db2.gz YLQRPRJEYRTBIU-JOCHJYFZSA-N 0 0 408.542 5.162 40 0 HKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000216314405 568464418 /nfs/dbraw/zinc/46/44/18/568464418.db2.gz YLQRPRJEYRTBIU-QFIPXVFZSA-N 0 0 408.542 5.162 40 0 HKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000216314994 568464337 /nfs/dbraw/zinc/46/43/37/568464337.db2.gz QRTOISDWESWCFT-HXUWFJFHSA-N 0 0 414.933 5.199 40 0 HKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000216315036 568464386 /nfs/dbraw/zinc/46/43/86/568464386.db2.gz QRTOISDWESWCFT-FQEVSTJZSA-N 0 0 414.933 5.199 40 0 HKABRN COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)c(Cl)c1Cl ZINC000216321970 568464404 /nfs/dbraw/zinc/46/44/04/568464404.db2.gz HDGCXRGXZGOCIO-AWEZNQCLSA-N 0 0 402.343 5.068 40 0 HKABRN COc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)c(Cl)c1Cl ZINC000216322016 568464400 /nfs/dbraw/zinc/46/44/00/568464400.db2.gz HDGCXRGXZGOCIO-CQSZACIVSA-N 0 0 402.343 5.068 40 0 HKABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000216323558 568464396 /nfs/dbraw/zinc/46/43/96/568464396.db2.gz VSQCNVDVKPXOFR-JOCHJYFZSA-N 0 0 423.896 5.376 40 0 HKABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000216323595 568464325 /nfs/dbraw/zinc/46/43/25/568464325.db2.gz VSQCNVDVKPXOFR-QFIPXVFZSA-N 0 0 423.896 5.376 40 0 HKABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000216327990 568464497 /nfs/dbraw/zinc/46/44/97/568464497.db2.gz KZPBQGPKRJCLPG-MBBDBFLNSA-N 0 0 403.566 6.123 40 0 HKABRN CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000216328039 568464522 /nfs/dbraw/zinc/46/45/22/568464522.db2.gz KZPBQGPKRJCLPG-FVFHPELPSA-N 0 0 403.566 6.123 40 0 HKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000216338267 568464513 /nfs/dbraw/zinc/46/45/13/568464513.db2.gz MEOFXBMQIWOOPL-JOCHJYFZSA-N 0 0 408.542 5.116 40 0 HKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000216338310 568464449 /nfs/dbraw/zinc/46/44/49/568464449.db2.gz MEOFXBMQIWOOPL-QFIPXVFZSA-N 0 0 408.542 5.116 40 0 HKABRN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000216339830 568464489 /nfs/dbraw/zinc/46/44/89/568464489.db2.gz HPWQAFUBHUQOMW-UHFFFAOYSA-N 0 0 404.941 5.565 40 0 HKABRN O=S(=O)(NCCCc1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000216341175 568464495 /nfs/dbraw/zinc/46/44/95/568464495.db2.gz DNRBWTZBPMUVSW-UHFFFAOYSA-N 0 0 401.915 5.043 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)cc1 ZINC000216346138 568464443 /nfs/dbraw/zinc/46/44/43/568464443.db2.gz HZCNDMQPZGTFHW-UHFFFAOYSA-N 0 0 422.550 5.178 40 0 HKABRN Cc1cccc(C)c1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000216349561 568464666 /nfs/dbraw/zinc/46/46/66/568464666.db2.gz JTWPNHLUUVMDNM-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)CCc3ccc(OC)c(OC)c3)ccc21 ZINC000216356993 568464652 /nfs/dbraw/zinc/46/46/52/568464652.db2.gz KUJDSVZXAGGCPE-UHFFFAOYSA-N 0 0 402.494 5.403 40 0 HKABRN CCOc1ccc(CCC(=O)Nc2ccccc2Oc2ccccc2)cc1OCC ZINC000216361513 568464611 /nfs/dbraw/zinc/46/46/11/568464611.db2.gz PUEFBKSWZGEXFP-UHFFFAOYSA-N 0 0 405.494 5.848 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)CSCc1ccc(F)cc1)c1ccccc1 ZINC000216362112 568464672 /nfs/dbraw/zinc/46/46/72/568464672.db2.gz SNBMFXFPSBVCRI-QGZVFWFLSA-N 0 0 422.525 5.189 40 0 HKABRN C[C@H](NC(=O)c1ccccc1NC(=O)CSCc1ccc(F)cc1)c1ccccc1 ZINC000216362149 568464644 /nfs/dbraw/zinc/46/46/44/568464644.db2.gz SNBMFXFPSBVCRI-KRWDZBQOSA-N 0 0 422.525 5.189 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000216369000 568464796 /nfs/dbraw/zinc/46/47/96/568464796.db2.gz OOWXOHICPODACY-SFHVURJKSA-N 0 0 423.603 6.415 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000216369050 568464727 /nfs/dbraw/zinc/46/47/27/568464727.db2.gz OOWXOHICPODACY-GOSISDBHSA-N 0 0 423.603 6.415 40 0 HKABRN COc1cc2ccccc2cc1C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000216374687 568464754 /nfs/dbraw/zinc/46/47/54/568464754.db2.gz JRPOVMFFRLJINU-UHFFFAOYSA-N 0 0 420.361 5.818 40 0 HKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1c(F)cccc1Cl ZINC000216381242 568464946 /nfs/dbraw/zinc/46/49/46/568464946.db2.gz CYEDLMOYPXYAQZ-QGZVFWFLSA-N 0 0 416.345 5.340 40 0 HKABRN CC[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1c(F)cccc1Cl ZINC000216381285 568464871 /nfs/dbraw/zinc/46/48/71/568464871.db2.gz CYEDLMOYPXYAQZ-KRWDZBQOSA-N 0 0 416.345 5.340 40 0 HKABRN CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1OC ZINC000216388905 568464887 /nfs/dbraw/zinc/46/48/87/568464887.db2.gz GLHXWLOKVGPTPR-HSZRJFAPSA-N 0 0 421.537 5.154 40 0 HKABRN CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1OC ZINC000216388946 568464956 /nfs/dbraw/zinc/46/49/56/568464956.db2.gz GLHXWLOKVGPTPR-QHCPKHFHSA-N 0 0 421.537 5.154 40 0 HKABRN O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc(Oc2ccccc2)cc1 ZINC000216400522 568465032 /nfs/dbraw/zinc/46/50/32/568465032.db2.gz OSUBBNCRPZBFEO-UHFFFAOYSA-N 0 0 415.514 5.547 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2)cc1 ZINC000216403877 568465075 /nfs/dbraw/zinc/46/50/75/568465075.db2.gz JEPRCKGWOCMCOK-UHFFFAOYSA-N 0 0 416.546 5.666 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(OCCSc2ccccc2)cc1 ZINC000216404839 568465068 /nfs/dbraw/zinc/46/50/68/568465068.db2.gz HEMBVUGSOWSNDX-UHFFFAOYSA-N 0 0 418.345 6.417 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000216406398 568465043 /nfs/dbraw/zinc/46/50/43/568465043.db2.gz HXFUBLWSDDEKCK-UHFFFAOYSA-N 0 0 411.332 6.199 40 0 HKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000216407832 568465067 /nfs/dbraw/zinc/46/50/67/568465067.db2.gz WEQIXVNMRJMCRC-HSZRJFAPSA-N 0 0 408.542 5.162 40 0 HKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000216407877 568465070 /nfs/dbraw/zinc/46/50/70/568465070.db2.gz WEQIXVNMRJMCRC-QHCPKHFHSA-N 0 0 408.542 5.162 40 0 HKABRN O=C(NCCCc1ccc(F)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000216407946 568464978 /nfs/dbraw/zinc/46/49/78/568464978.db2.gz NTJIDEJBMAPQSG-UHFFFAOYSA-N 0 0 402.513 5.141 40 0 HKABRN O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000216411813 568465208 /nfs/dbraw/zinc/46/52/08/568465208.db2.gz DHDIKGZMOFXHPV-UHFFFAOYSA-N 0 0 407.535 5.122 40 0 HKABRN CC[C@@H](NC(=O)c1ccc(CN2CCCc3ccccc32)cc1)c1ccc(OC)cc1 ZINC000216416075 568465128 /nfs/dbraw/zinc/46/51/28/568465128.db2.gz YFMBNAACLAFQFE-RUZDIDTESA-N 0 0 414.549 5.529 40 0 HKABRN CC[C@H](NC(=O)c1ccc(CN2CCCc3ccccc32)cc1)c1ccc(OC)cc1 ZINC000216416123 568465119 /nfs/dbraw/zinc/46/51/19/568465119.db2.gz YFMBNAACLAFQFE-VWLOTQADSA-N 0 0 414.549 5.529 40 0 HKABRN CC(=O)Nc1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 ZINC000216422847 568465211 /nfs/dbraw/zinc/46/52/11/568465211.db2.gz VZXHJWIFAKRJOT-UHFFFAOYSA-N 0 0 406.507 5.068 40 0 HKABRN CCc1ccccc1O[C@@H](C)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000216426138 568465247 /nfs/dbraw/zinc/46/52/47/568465247.db2.gz MCGPNHLDFGNHPF-AWEZNQCLSA-N 0 0 412.382 5.373 40 0 HKABRN CCc1ccccc1O[C@H](C)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000216426181 568465325 /nfs/dbraw/zinc/46/53/25/568465325.db2.gz MCGPNHLDFGNHPF-CQSZACIVSA-N 0 0 412.382 5.373 40 0 HKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000216428060 568465224 /nfs/dbraw/zinc/46/52/24/568465224.db2.gz HVNKFHFOBGVXMG-OAQYLSRUSA-N 0 0 414.933 5.152 40 0 HKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000216428100 568465282 /nfs/dbraw/zinc/46/52/82/568465282.db2.gz HVNKFHFOBGVXMG-NRFANRHFSA-N 0 0 414.933 5.152 40 0 HKABRN COc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000216430481 568465257 /nfs/dbraw/zinc/46/52/57/568465257.db2.gz ROULXYYMNXIESW-MRXNPFEDSA-N 0 0 411.954 6.132 40 0 HKABRN COc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000216430522 568465262 /nfs/dbraw/zinc/46/52/62/568465262.db2.gz ROULXYYMNXIESW-INIZCTEOSA-N 0 0 411.954 6.132 40 0 HKABRN CC[C@@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(OC)cc1 ZINC000216435161 568465306 /nfs/dbraw/zinc/46/53/06/568465306.db2.gz NUPSDQCTWLAFCC-XMMPIXPASA-N 0 0 405.563 6.177 40 0 HKABRN CC[C@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(OC)cc1 ZINC000216435198 568465232 /nfs/dbraw/zinc/46/52/32/568465232.db2.gz NUPSDQCTWLAFCC-DEOSSOPVSA-N 0 0 405.563 6.177 40 0 HKABRN O=C(NCCSc1ccccc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000216436001 568465270 /nfs/dbraw/zinc/46/52/70/568465270.db2.gz FSZNKPMDWVZHOD-UHFFFAOYSA-N 0 0 409.576 5.380 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)CSCc2c(F)cccc2Cl)c(Cl)c1 ZINC000216436408 568465259 /nfs/dbraw/zinc/46/52/59/568465259.db2.gz WKKLFGWDQKWCEM-UHFFFAOYSA-N 0 0 416.301 5.181 40 0 HKABRN O=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000216438461 568465329 /nfs/dbraw/zinc/46/53/29/568465329.db2.gz IGTVKIQGFUDLKH-UHFFFAOYSA-N 0 0 410.561 5.344 40 0 HKABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000216442490 568465221 /nfs/dbraw/zinc/46/52/21/568465221.db2.gz YKNUAXRXUWLNPX-GOSISDBHSA-N 0 0 416.345 5.340 40 0 HKABRN CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000216442533 568465304 /nfs/dbraw/zinc/46/53/04/568465304.db2.gz YKNUAXRXUWLNPX-SFHVURJKSA-N 0 0 416.345 5.340 40 0 HKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000216443757 568465462 /nfs/dbraw/zinc/46/54/62/568465462.db2.gz LNCJPKBWSXODGO-XMMPIXPASA-N 0 0 419.590 6.700 40 0 HKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000216443804 568465469 /nfs/dbraw/zinc/46/54/69/568465469.db2.gz LNCJPKBWSXODGO-DEOSSOPVSA-N 0 0 419.590 6.700 40 0 HKABRN O=C(Nc1ccccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000216445542 568465431 /nfs/dbraw/zinc/46/54/31/568465431.db2.gz AMHBSRCNZGVXLH-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000216448718 568465451 /nfs/dbraw/zinc/46/54/51/568465451.db2.gz UPLAGXQMUOHKMS-LJQANCHMSA-N 0 0 407.819 6.308 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000216448763 568465454 /nfs/dbraw/zinc/46/54/54/568465454.db2.gz UPLAGXQMUOHKMS-IBGZPJMESA-N 0 0 407.819 6.308 40 0 HKABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000216451441 568465480 /nfs/dbraw/zinc/46/54/80/568465480.db2.gz VAGLEXZYWPVPID-AHRSHGDUSA-N 0 0 403.566 6.259 40 0 HKABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000216451488 568465365 /nfs/dbraw/zinc/46/53/65/568465365.db2.gz VAGLEXZYWPVPID-ULCRDSCMSA-N 0 0 403.566 6.259 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000216451635 568465401 /nfs/dbraw/zinc/46/54/01/568465401.db2.gz LONKNIHBHGSXKK-HSZRJFAPSA-N 0 0 416.521 5.030 40 0 HKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000216451683 568465474 /nfs/dbraw/zinc/46/54/74/568465474.db2.gz LONKNIHBHGSXKK-QHCPKHFHSA-N 0 0 416.521 5.030 40 0 HKABRN O=C(CSCc1ccc(F)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000216458043 568465609 /nfs/dbraw/zinc/46/56/09/568465609.db2.gz XGGMCUFPSFPAQV-UHFFFAOYSA-N 0 0 409.570 6.165 40 0 HKABRN CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000216459813 568465600 /nfs/dbraw/zinc/46/56/00/568465600.db2.gz DXYDBEQPIKHCQW-SFHVURJKSA-N 0 0 407.485 5.051 40 0 HKABRN CCc1ccccc1O[C@H](C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000216459861 568465578 /nfs/dbraw/zinc/46/55/78/568465578.db2.gz DXYDBEQPIKHCQW-GOSISDBHSA-N 0 0 407.485 5.051 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1Cl ZINC000216462179 568465521 /nfs/dbraw/zinc/46/55/21/568465521.db2.gz UOMWLGRDYICPND-UHFFFAOYSA-N 0 0 407.897 5.554 40 0 HKABRN CC(C)Oc1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 ZINC000216466578 568465560 /nfs/dbraw/zinc/46/55/60/568465560.db2.gz ORYFBOOKYIFHPI-UHFFFAOYSA-N 0 0 400.522 5.679 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1Cl ZINC000216473720 568465530 /nfs/dbraw/zinc/46/55/30/568465530.db2.gz UEYROPOHGYALKP-CYBMUJFWSA-N 0 0 410.297 5.193 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1Cl ZINC000216473767 568465601 /nfs/dbraw/zinc/46/56/01/568465601.db2.gz UEYROPOHGYALKP-ZDUSSCGKSA-N 0 0 410.297 5.193 40 0 HKABRN CC(C)Oc1ccc(CNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 ZINC000216476875 568465504 /nfs/dbraw/zinc/46/55/04/568465504.db2.gz ANKVVNBTKICLQH-XQNSMLJCSA-N 0 0 405.925 5.984 40 0 HKABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000216484907 568465663 /nfs/dbraw/zinc/46/56/63/568465663.db2.gz SKZXUSBXWHPCGA-MRXNPFEDSA-N 0 0 413.876 5.142 40 0 HKABRN C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000216484952 568465611 /nfs/dbraw/zinc/46/56/11/568465611.db2.gz SKZXUSBXWHPCGA-INIZCTEOSA-N 0 0 413.876 5.142 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1OC ZINC000216485909 568465713 /nfs/dbraw/zinc/46/57/13/568465713.db2.gz LHUAXNFXJVMHJS-UUOWRZLLSA-N 0 0 421.562 5.399 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1OC ZINC000216485951 568465621 /nfs/dbraw/zinc/46/56/21/568465621.db2.gz LHUAXNFXJVMHJS-KOSHJBKYSA-N 0 0 421.562 5.399 40 0 HKABRN COc1ccc(S[C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1OC ZINC000216485998 568465703 /nfs/dbraw/zinc/46/57/03/568465703.db2.gz LHUAXNFXJVMHJS-MHECFPHRSA-N 0 0 421.562 5.399 40 0 HKABRN COc1ccc(S[C@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1OC ZINC000216486044 568465636 /nfs/dbraw/zinc/46/56/36/568465636.db2.gz LHUAXNFXJVMHJS-HOYKHHGWSA-N 0 0 421.562 5.399 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)NCCSCc1ccccc1 ZINC000216489472 568465661 /nfs/dbraw/zinc/46/56/61/568465661.db2.gz GEXZLPMDTHYWLP-UHFFFAOYSA-N 0 0 400.396 5.276 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000216493380 568465666 /nfs/dbraw/zinc/46/56/66/568465666.db2.gz AIWPMUIQLIVISW-UHFFFAOYSA-N 0 0 411.332 6.199 40 0 HKABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000216493664 568465650 /nfs/dbraw/zinc/46/56/50/568465650.db2.gz MPZZGACQLRLHAK-GAJHUEQPSA-N 0 0 420.484 5.113 40 0 HKABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000216493702 568465672 /nfs/dbraw/zinc/46/56/72/568465672.db2.gz MPZZGACQLRLHAK-SBUREZEXSA-N 0 0 420.484 5.113 40 0 HKABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000216493750 568465709 /nfs/dbraw/zinc/46/57/09/568465709.db2.gz MPZZGACQLRLHAK-UZUQRXQVSA-N 0 0 420.484 5.113 40 0 HKABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000216493800 568465658 /nfs/dbraw/zinc/46/56/58/568465658.db2.gz MPZZGACQLRLHAK-HXOBKFHXSA-N 0 0 420.484 5.113 40 0 HKABRN CC(C)c1cc(C(C)C)c(S(=O)(=O)NCc2ccc(Cl)cc2)c(C(C)C)c1 ZINC000216571022 568465803 /nfs/dbraw/zinc/46/58/03/568465803.db2.gz PTLSZLAEGXGJGU-UHFFFAOYSA-N 0 0 408.007 6.189 40 0 HKABRN O=C(Nc1cccc(Br)c1)c1cccc(OCc2ccccc2Cl)c1 ZINC000216571712 568465820 /nfs/dbraw/zinc/46/58/20/568465820.db2.gz VAFKIZHJCZWPCT-UHFFFAOYSA-N 0 0 416.702 5.934 40 0 HKABRN O=C(Nc1ccc(Br)cc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000216571780 568465782 /nfs/dbraw/zinc/46/57/82/568465782.db2.gz OCQGFCRHSQJDCP-UHFFFAOYSA-N 0 0 416.702 5.934 40 0 HKABRN CC(C)(C)N(Cc1ccccc1)C(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000216573032 568465736 /nfs/dbraw/zinc/46/57/36/568465736.db2.gz XZTIMEYMZKMYOK-UHFFFAOYSA-N 0 0 407.941 6.360 40 0 HKABRN CCOC(=O)c1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000216780002 569018873 /nfs/dbraw/zinc/01/88/73/569018873.db2.gz KMDLKUMGTSFQKB-UHFFFAOYSA-N 0 0 413.695 5.257 40 0 HKABRN NN=c1[nH]c2c(cc(NC(=O)C(c3ccccc3)c3ccccc3)cc2Cl)s1 ZINC000216785948 569018915 /nfs/dbraw/zinc/01/89/15/569018915.db2.gz VQMVOEKEMBIEHB-UHFFFAOYSA-N 0 0 408.914 5.006 40 0 HKABRN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cc2sc(N)nc2c(Cl)c1 ZINC000216787402 569018920 /nfs/dbraw/zinc/01/89/20/569018920.db2.gz ZCHILPVKFPYPLG-UHFFFAOYSA-N 0 0 416.717 5.165 40 0 HKABRN CCOc1cc(-c2nnc(N)o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000216824696 569024929 /nfs/dbraw/zinc/02/49/29/569024929.db2.gz NMTYZHSSBZCTFB-UHFFFAOYSA-N 0 0 414.676 5.257 40 0 HKABRN CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000216829881 569025071 /nfs/dbraw/zinc/02/50/71/569025071.db2.gz ITSUXFDQJYQEDX-UHFFFAOYSA-N 0 0 403.689 5.801 40 0 HKABRN CCOc1cc(C(=O)OC)cc(Br)c1OCc1ccc(F)cc1Cl ZINC000216830476 569025163 /nfs/dbraw/zinc/02/51/63/569025163.db2.gz LLTPUFRXDPTFBW-UHFFFAOYSA-N 0 0 417.658 5.006 40 0 HKABRN CCOC(=O)c1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000216832285 569025225 /nfs/dbraw/zinc/02/52/25/569025225.db2.gz GQYOWCDKDAPYAR-UHFFFAOYSA-N 0 0 413.695 5.257 40 0 HKABRN COC(=O)c1c(C)n(C(=O)COc2c(C)cc(Cl)cc2Cl)c2ccccc21 ZINC000216862725 569025863 /nfs/dbraw/zinc/02/58/63/569025863.db2.gz XAUTWXFEVKCPOZ-UHFFFAOYSA-N 0 0 406.265 5.071 40 0 HKABRN CC(C)c1ccc2oc(-c3cc(N)cc(-c4nc5cc(C(C)C)ccc5o4)c3)nc2c1 ZINC000216880563 569025872 /nfs/dbraw/zinc/02/58/72/569025872.db2.gz KTENFUIYBNNXMW-UHFFFAOYSA-N 0 0 411.505 7.132 40 0 HKABRN COC(=O)c1c(C)n(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000216893001 569026043 /nfs/dbraw/zinc/02/60/43/569026043.db2.gz YZMGZCAQHIITIA-GFCCVEGCSA-N 0 0 406.265 5.151 40 0 HKABRN COC(=O)c1c(C)n(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000216893043 568469146 /nfs/dbraw/zinc/46/91/46/568469146.db2.gz YZMGZCAQHIITIA-LBPRGKRZSA-N 0 0 406.265 5.151 40 0 HKABRN Cc1c(C=O)c2ccccc2n1C(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000216927188 568469245 /nfs/dbraw/zinc/46/92/45/568469245.db2.gz YBUAJIMWMRKITK-UHFFFAOYSA-N 0 0 400.272 5.023 40 0 HKABRN Cc1cc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1Br ZINC000218820823 568484008 /nfs/dbraw/zinc/48/40/08/568484008.db2.gz ISOHMTRQICCQTL-UHFFFAOYSA-N 0 0 424.338 5.365 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccccc2Oc2ccccc2)ccc1Br ZINC000218824312 568484137 /nfs/dbraw/zinc/48/41/37/568484137.db2.gz SICOROVZONIHFC-UHFFFAOYSA-N 0 0 412.283 5.567 40 0 HKABRN Cc1cc(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1Br ZINC000218825107 568484107 /nfs/dbraw/zinc/48/41/07/568484107.db2.gz QAWRILUHFXTQIW-HNNXBMFYSA-N 0 0 404.348 5.311 40 0 HKABRN Cc1cc(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1Br ZINC000218825185 568484122 /nfs/dbraw/zinc/48/41/22/568484122.db2.gz QAWRILUHFXTQIW-OAHLLOKOSA-N 0 0 404.348 5.311 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1Br ZINC000218827208 568484111 /nfs/dbraw/zinc/48/41/11/568484111.db2.gz SHTCQRWNYRQZPI-UHFFFAOYSA-N 0 0 424.294 5.006 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)ccc1Br ZINC000218827662 568484100 /nfs/dbraw/zinc/48/41/00/568484100.db2.gz WJWLWNNWRWUJBD-UHFFFAOYSA-N 0 0 404.304 5.096 40 0 HKABRN Cc1cc(OCC(=O)NCCCc2ccc(C(C)C)cc2)ccc1Br ZINC000218831148 568484072 /nfs/dbraw/zinc/48/40/72/568484072.db2.gz GVUAKYKJVBUANP-UHFFFAOYSA-N 0 0 404.348 5.009 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccccc2C(F)(F)F)cc(C)c1Br ZINC000218834437 568484253 /nfs/dbraw/zinc/48/42/53/568484253.db2.gz IAPWCMMDQXUTMQ-UHFFFAOYSA-N 0 0 402.210 5.102 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc(C)c1Br ZINC000218836964 568484182 /nfs/dbraw/zinc/48/41/82/568484182.db2.gz LPNZYXIBYBWGND-UHFFFAOYSA-N 0 0 402.210 5.102 40 0 HKABRN Cc1cc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc(C)c1Br ZINC000218838678 568484245 /nfs/dbraw/zinc/48/42/45/568484245.db2.gz MVSCQQNLMZKJAT-UHFFFAOYSA-N 0 0 424.338 5.351 40 0 HKABRN Cc1cc(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc(C)c1Br ZINC000218839632 568484162 /nfs/dbraw/zinc/48/41/62/568484162.db2.gz VOBMNUNALWEXJZ-INIZCTEOSA-N 0 0 418.375 5.620 40 0 HKABRN Cc1cc(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc(C)c1Br ZINC000218839710 568484255 /nfs/dbraw/zinc/48/42/55/568484255.db2.gz VOBMNUNALWEXJZ-MRXNPFEDSA-N 0 0 418.375 5.620 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)cc(C)c1Br ZINC000218842704 568484185 /nfs/dbraw/zinc/48/41/85/568484185.db2.gz ZXSGZAUMCILJGH-UHFFFAOYSA-N 0 0 418.331 5.405 40 0 HKABRN CC[C@@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccc(C)c(C)c1 ZINC000218844599 568484354 /nfs/dbraw/zinc/48/43/54/568484354.db2.gz IDRDQXJVWYSRQR-LJQANCHMSA-N 0 0 404.348 5.329 40 0 HKABRN CC[C@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccc(C)c(C)c1 ZINC000218844658 568484283 /nfs/dbraw/zinc/48/42/83/568484283.db2.gz IDRDQXJVWYSRQR-IBGZPJMESA-N 0 0 404.348 5.329 40 0 HKABRN CC[C@@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccc(C)cc1C ZINC000218844753 568484290 /nfs/dbraw/zinc/48/42/90/568484290.db2.gz FCPPNIMXWAKVGW-LJQANCHMSA-N 0 0 404.348 5.329 40 0 HKABRN CC[C@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccc(C)cc1C ZINC000218844821 568484365 /nfs/dbraw/zinc/48/43/65/568484365.db2.gz FCPPNIMXWAKVGW-IBGZPJMESA-N 0 0 404.348 5.329 40 0 HKABRN Cc1cc(OCC(=O)NCCCc2ccc(C(C)C)cc2)cc(C)c1Br ZINC000218845348 568484363 /nfs/dbraw/zinc/48/43/63/568484363.db2.gz UWJSVKZTSOYFLG-UHFFFAOYSA-N 0 0 418.375 5.317 40 0 HKABRN O=C(COc1ccccc1Cl)NCCSCc1ccc(Cl)cc1Cl ZINC000218846158 568484293 /nfs/dbraw/zinc/48/42/93/568484293.db2.gz WTOAFTHDKZWDOR-UHFFFAOYSA-N 0 0 404.746 5.075 40 0 HKABRN O=C(COc1ccccc1Cl)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000218846259 568484359 /nfs/dbraw/zinc/48/43/59/568484359.db2.gz PETYDIHNBMQTID-UHFFFAOYSA-N 0 0 404.746 5.075 40 0 HKABRN O=C(COc1ccccc1Cl)NCCSCc1c(Cl)cccc1Cl ZINC000218846578 568484275 /nfs/dbraw/zinc/48/42/75/568484275.db2.gz CTEDGBSOHZPTTO-UHFFFAOYSA-N 0 0 404.746 5.075 40 0 HKABRN O=C(COc1ccc(Cl)cc1Br)Nc1ccc(C(F)(F)F)cc1 ZINC000218854072 568484352 /nfs/dbraw/zinc/48/43/52/568484352.db2.gz BUJRHYYWPCIDJY-UHFFFAOYSA-N 0 0 408.601 5.139 40 0 HKABRN C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(C(C)(C)C)cc1 ZINC000218854975 568484329 /nfs/dbraw/zinc/48/43/29/568484329.db2.gz MDOPWDDVDYOHBY-CYBMUJFWSA-N 0 0 424.766 5.656 40 0 HKABRN C[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(C(C)(C)C)cc1 ZINC000218855043 568484298 /nfs/dbraw/zinc/48/42/98/568484298.db2.gz MDOPWDDVDYOHBY-ZDUSSCGKSA-N 0 0 424.766 5.656 40 0 HKABRN O=C(COc1ccc(Cl)cc1Br)Nc1ccc(OC2CCCC2)cc1 ZINC000218857165 568484438 /nfs/dbraw/zinc/48/44/38/568484438.db2.gz XJSAOSXLAWZDHU-UHFFFAOYSA-N 0 0 424.722 5.441 40 0 HKABRN CC[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(C)c(C)c1 ZINC000218858362 568484408 /nfs/dbraw/zinc/48/44/08/568484408.db2.gz AMHXCQQBVXVZNM-QGZVFWFLSA-N 0 0 410.739 5.366 40 0 HKABRN CC[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(C)c(C)c1 ZINC000218858433 568484459 /nfs/dbraw/zinc/48/44/59/568484459.db2.gz AMHXCQQBVXVZNM-KRWDZBQOSA-N 0 0 410.739 5.366 40 0 HKABRN CC[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(C)cc1C ZINC000218858479 568484454 /nfs/dbraw/zinc/48/44/54/568484454.db2.gz BJUXMQRUNLLKHF-QGZVFWFLSA-N 0 0 410.739 5.366 40 0 HKABRN CC[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(C)cc1C ZINC000218858553 568484406 /nfs/dbraw/zinc/48/44/06/568484406.db2.gz BJUXMQRUNLLKHF-KRWDZBQOSA-N 0 0 410.739 5.366 40 0 HKABRN CC(C)c1ccc(CCCNC(=O)COc2ccc(Cl)cc2Br)cc1 ZINC000218858933 568484464 /nfs/dbraw/zinc/48/44/64/568484464.db2.gz IUEHYDVAMXMOML-UHFFFAOYSA-N 0 0 424.766 5.354 40 0 HKABRN CCc1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c(Br)c1 ZINC000218862217 568484417 /nfs/dbraw/zinc/48/44/17/568484417.db2.gz SLJHBICSCIXBMN-UHFFFAOYSA-N 0 0 402.210 5.048 40 0 HKABRN CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c(Br)c1 ZINC000218863711 568484461 /nfs/dbraw/zinc/48/44/61/568484461.db2.gz NDBBRTLOFLXJAX-HNNXBMFYSA-N 0 0 418.375 5.565 40 0 HKABRN CCc1ccc(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c(Br)c1 ZINC000218863791 568484442 /nfs/dbraw/zinc/48/44/42/568484442.db2.gz NDBBRTLOFLXJAX-OAHLLOKOSA-N 0 0 418.375 5.565 40 0 HKABRN CCc1ccc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)c(Br)c1 ZINC000218866239 568484462 /nfs/dbraw/zinc/48/44/62/568484462.db2.gz XXIKBCBNTBMGRM-UHFFFAOYSA-N 0 0 418.331 5.350 40 0 HKABRN CCc1ccc(OCC(=O)N[C@@H](CC)c2ccc(C)c(C)c2)c(Br)c1 ZINC000218867851 568484522 /nfs/dbraw/zinc/48/45/22/568484522.db2.gz KKDTYAPUJLRCSN-IBGZPJMESA-N 0 0 404.348 5.275 40 0 HKABRN CCc1ccc(OCC(=O)N[C@H](CC)c2ccc(C)c(C)c2)c(Br)c1 ZINC000218867933 568484520 /nfs/dbraw/zinc/48/45/20/568484520.db2.gz KKDTYAPUJLRCSN-LJQANCHMSA-N 0 0 404.348 5.275 40 0 HKABRN CCc1ccc(OCC(=O)N[C@@H](CC)c2ccc(C)cc2C)c(Br)c1 ZINC000218868028 568484518 /nfs/dbraw/zinc/48/45/18/568484518.db2.gz IPDAFGALDVXBBU-IBGZPJMESA-N 0 0 404.348 5.275 40 0 HKABRN CCc1ccc(OCC(=O)N[C@H](CC)c2ccc(C)cc2C)c(Br)c1 ZINC000218868090 568484535 /nfs/dbraw/zinc/48/45/35/568484535.db2.gz IPDAFGALDVXBBU-LJQANCHMSA-N 0 0 404.348 5.275 40 0 HKABRN CCc1ccc(OCC(=O)NCCCc2ccc(C(C)C)cc2)c(Br)c1 ZINC000218868375 568484478 /nfs/dbraw/zinc/48/44/78/568484478.db2.gz RTVWZTTZLNAGKV-UHFFFAOYSA-N 0 0 418.375 5.263 40 0 HKABRN Cc1ccc(SCCNC(=O)COc2ccc(C(C)C)cc2Br)cc1 ZINC000218869933 568484564 /nfs/dbraw/zinc/48/45/64/568484564.db2.gz DAUKEAFUUJNOGP-UHFFFAOYSA-N 0 0 422.388 5.168 40 0 HKABRN CC(C)c1ccc(OCC(=O)NCCSCc2ccccc2)c(Br)c1 ZINC000218870126 568484480 /nfs/dbraw/zinc/48/44/80/568484480.db2.gz HIWVIBDKVWDXQW-UHFFFAOYSA-N 0 0 422.388 5.001 40 0 HKABRN CC(C)c1ccc(OCC(=O)NCCSC2CCCCC2)c(Br)c1 ZINC000218871467 568484502 /nfs/dbraw/zinc/48/45/02/568484502.db2.gz UWUYDDCIZUSKKH-UHFFFAOYSA-N 0 0 414.409 5.133 40 0 HKABRN CC(C)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c(Br)c1 ZINC000218872097 568484552 /nfs/dbraw/zinc/48/45/52/568484552.db2.gz LOMFBTDMEGCWDZ-UHFFFAOYSA-N 0 0 416.237 5.609 40 0 HKABRN CC(C)Oc1cccc(NC(=O)COc2ccc(C(C)C)cc2Br)c1 ZINC000218872518 568484570 /nfs/dbraw/zinc/48/45/70/568484570.db2.gz HSAVHEDLVYDDJY-UHFFFAOYSA-N 0 0 406.320 5.377 40 0 HKABRN CC(C)c1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)c(Br)c1 ZINC000218872894 568484588 /nfs/dbraw/zinc/48/45/88/568484588.db2.gz RXGILYZDDRCCBY-INIZCTEOSA-N 0 0 404.348 5.089 40 0 HKABRN CC(C)c1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)c(Br)c1 ZINC000218872952 568484672 /nfs/dbraw/zinc/48/46/72/568484672.db2.gz RXGILYZDDRCCBY-MRXNPFEDSA-N 0 0 404.348 5.089 40 0 HKABRN CC(C)Oc1cccc(CNC(=O)COc2ccc(C(C)C)cc2Br)c1 ZINC000218873372 568484693 /nfs/dbraw/zinc/48/46/93/568484693.db2.gz DWJKBPCGBKMKOB-UHFFFAOYSA-N 0 0 420.347 5.055 40 0 HKABRN Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)c1 ZINC000218873474 568484603 /nfs/dbraw/zinc/48/46/03/568484603.db2.gz UOFJZDSPHUDKSX-MRXNPFEDSA-N 0 0 404.348 5.446 40 0 HKABRN Cc1ccc(C)c([C@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)c1 ZINC000218873572 568484641 /nfs/dbraw/zinc/48/46/41/568484641.db2.gz UOFJZDSPHUDKSX-INIZCTEOSA-N 0 0 404.348 5.446 40 0 HKABRN CC(C)c1ccc(OCC(=O)NCCCc2ccccc2Cl)c(Br)c1 ZINC000218873858 568484631 /nfs/dbraw/zinc/48/46/31/568484631.db2.gz ICGWKGFBISNBNC-UHFFFAOYSA-N 0 0 424.766 5.354 40 0 HKABRN CC(C)c1ccc(OCC(=O)NCCCc2ccc(Cl)cc2)c(Br)c1 ZINC000218873953 568484681 /nfs/dbraw/zinc/48/46/81/568484681.db2.gz SYUHKRCREIAJKW-UHFFFAOYSA-N 0 0 424.766 5.354 40 0 HKABRN Cc1ccc(CCCNC(=O)COc2ccc(C(C)C)cc2Br)cc1 ZINC000218874971 568484674 /nfs/dbraw/zinc/48/46/74/568484674.db2.gz WXFVYLJGZPXHFP-UHFFFAOYSA-N 0 0 404.348 5.009 40 0 HKABRN Cc1cccc(CCCNC(=O)COc2ccc(C(C)C)cc2Br)c1 ZINC000218875068 568484644 /nfs/dbraw/zinc/48/46/44/568484644.db2.gz VPAPCSYWVDFJCZ-UHFFFAOYSA-N 0 0 404.348 5.009 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1C ZINC000218877724 568484633 /nfs/dbraw/zinc/48/46/33/568484633.db2.gz UOFZXVUOXHDRRX-MRXNPFEDSA-N 0 0 404.348 5.446 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1C ZINC000218877795 568484676 /nfs/dbraw/zinc/48/46/76/568484676.db2.gz UOFZXVUOXHDRRX-INIZCTEOSA-N 0 0 404.348 5.446 40 0 HKABRN CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(C)c(C)c1 ZINC000218877885 568484679 /nfs/dbraw/zinc/48/46/79/568484679.db2.gz XLUULCHGBKNRHV-HXUWFJFHSA-N 0 0 418.375 5.836 40 0 HKABRN CC[C@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(C)c(C)c1 ZINC000218877966 568484605 /nfs/dbraw/zinc/48/46/05/568484605.db2.gz XLUULCHGBKNRHV-FQEVSTJZSA-N 0 0 418.375 5.836 40 0 HKABRN CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(C)cc1C ZINC000218878068 568484646 /nfs/dbraw/zinc/48/46/46/568484646.db2.gz KOYMSMGTFBHOCG-HXUWFJFHSA-N 0 0 418.375 5.836 40 0 HKABRN CC[C@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(C)cc1C ZINC000218878147 568484629 /nfs/dbraw/zinc/48/46/29/568484629.db2.gz KOYMSMGTFBHOCG-FQEVSTJZSA-N 0 0 418.375 5.836 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)NCCSc2ccccc2)c(Br)c1 ZINC000218879267 568484663 /nfs/dbraw/zinc/48/46/63/568484663.db2.gz UQNLYJSMPYTNTA-UHFFFAOYSA-N 0 0 422.388 5.034 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000218880099 568484607 /nfs/dbraw/zinc/48/46/07/568484607.db2.gz PXCNZMMGOSBSOO-UHFFFAOYSA-N 0 0 410.739 5.726 40 0 HKABRN CSc1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 ZINC000218880964 568484647 /nfs/dbraw/zinc/48/46/47/568484647.db2.gz BHBIATNAFYWLJT-UHFFFAOYSA-N 0 0 408.361 5.486 40 0 HKABRN CCc1cccc(CC)c1NC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000218881185 568484687 /nfs/dbraw/zinc/48/46/87/568484687.db2.gz UQYGTNWZHYEZJC-UHFFFAOYSA-N 0 0 418.375 5.889 40 0 HKABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000218881419 568484689 /nfs/dbraw/zinc/48/46/89/568484689.db2.gz NBYMZWKLCWSVDR-UHFFFAOYSA-N 0 0 418.375 6.196 40 0 HKABRN CSc1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000218881632 568484668 /nfs/dbraw/zinc/48/46/68/568484668.db2.gz FOMYGXILTSFANR-UHFFFAOYSA-N 0 0 408.361 5.486 40 0 HKABRN C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000218881847 568484648 /nfs/dbraw/zinc/48/46/48/568484648.db2.gz YEPCJXKDSGQHLO-INIZCTEOSA-N 0 0 418.375 5.263 40 0 HKABRN C[C@H](CCc1ccccc1)NC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000218881940 568484697 /nfs/dbraw/zinc/48/46/97/568484697.db2.gz YEPCJXKDSGQHLO-MRXNPFEDSA-N 0 0 418.375 5.263 40 0 HKABRN Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 ZINC000218882456 568484762 /nfs/dbraw/zinc/48/47/62/568484762.db2.gz RGPIGUJHBNQMAY-MRXNPFEDSA-N 0 0 418.375 5.620 40 0 HKABRN Cc1ccc(C)c([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 ZINC000218882525 568484782 /nfs/dbraw/zinc/48/47/82/568484782.db2.gz RGPIGUJHBNQMAY-INIZCTEOSA-N 0 0 418.375 5.620 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)NCCCc2ccc(F)cc2)c(Br)c1 ZINC000218883016 568484764 /nfs/dbraw/zinc/48/47/64/568484764.db2.gz CEJFOHODSMGJQE-UHFFFAOYSA-N 0 0 422.338 5.014 40 0 HKABRN Cc1ccc(CCCNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000218883659 568484795 /nfs/dbraw/zinc/48/47/95/568484795.db2.gz QFFZNWKXHWQHFM-UHFFFAOYSA-N 0 0 418.375 5.183 40 0 HKABRN Cc1cccc(CCCNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 ZINC000218883761 568484783 /nfs/dbraw/zinc/48/47/83/568484783.db2.gz DQXMTYOOGXEDQI-UHFFFAOYSA-N 0 0 418.375 5.183 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1C ZINC000218885557 568484734 /nfs/dbraw/zinc/48/47/34/568484734.db2.gz SGLURHGGIZKUIR-MRXNPFEDSA-N 0 0 418.375 5.620 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1C ZINC000218885638 568484740 /nfs/dbraw/zinc/48/47/40/568484740.db2.gz SGLURHGGIZKUIR-INIZCTEOSA-N 0 0 418.375 5.620 40 0 HKABRN COc1cc(OC)cc(OCC(=O)Nc2ccc(CSc3ccccc3)cc2)c1 ZINC000218888495 568484936 /nfs/dbraw/zinc/48/49/36/568484936.db2.gz JOVFLBSMRPRTQQ-UHFFFAOYSA-N 0 0 409.507 5.014 40 0 HKABRN COc1cc(OC)cc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000218890951 568484888 /nfs/dbraw/zinc/48/48/88/568484888.db2.gz RIXFOLWGKMVFEU-UHFFFAOYSA-N 0 0 413.857 5.167 40 0 HKABRN COc1cc(OC)cc(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000218892890 568484876 /nfs/dbraw/zinc/48/48/76/568484876.db2.gz DJTSXFMDVGAGMM-UHFFFAOYSA-N 0 0 421.537 5.189 40 0 HKABRN O=C(COc1ccc2ccccc2c1Br)NCCSC1CCCCC1 ZINC000218902898 568485011 /nfs/dbraw/zinc/48/50/11/568485011.db2.gz YAZJXXOOUHRPPM-UHFFFAOYSA-N 0 0 422.388 5.163 40 0 HKABRN O=C(COc1ccc2ccccc2c1Br)Nc1ccc(C(F)(F)F)cc1 ZINC000218903123 568485039 /nfs/dbraw/zinc/48/50/39/568485039.db2.gz OHPCTXGPIJBYMI-UHFFFAOYSA-N 0 0 424.216 5.639 40 0 HKABRN CC(C)(C)OC(=O)N1[C@H](c2ccccc2Br)C[C@]2(C)C(=O)CCCC[C@H]12 ZINC000218903714 568485059 /nfs/dbraw/zinc/48/50/59/568485059.db2.gz LREOUHZHOVEHQM-FIKGOQFSSA-N 0 0 422.363 5.649 40 0 biogenic HKABRN CC(C)(C)OC(=O)N1[C@H](c2ccccc2Br)C[C@@]2(C)[C@@H]1CCCC[C@H]2O ZINC000218903817 568485027 /nfs/dbraw/zinc/48/50/27/568485027.db2.gz XEIFVCXADPAIJV-UGNRZPKXSA-N 0 0 424.379 5.441 40 0 HKABRN CC(C)(C)OC(=O)N1[C@H](c2ccccc2Br)C[C@@]2(C)[C@@H]1CCCC[C@@H]2O ZINC000218903896 568485048 /nfs/dbraw/zinc/48/50/48/568485048.db2.gz XEIFVCXADPAIJV-NTLWEQJWSA-N 0 0 424.379 5.441 40 0 HKABRN Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccc3ccccc3c2Br)c1 ZINC000218904108 568484997 /nfs/dbraw/zinc/48/49/97/568484997.db2.gz BGWJUHKRHQINRC-MRXNPFEDSA-N 0 0 412.327 5.475 40 0 HKABRN Cc1ccc(C)c([C@H](C)NC(=O)COc2ccc3ccccc3c2Br)c1 ZINC000218904184 568485028 /nfs/dbraw/zinc/48/50/28/568485028.db2.gz BGWJUHKRHQINRC-INIZCTEOSA-N 0 0 412.327 5.475 40 0 HKABRN Cc1ccc(CCCNC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000218905507 568484999 /nfs/dbraw/zinc/48/49/99/568484999.db2.gz YPHHWZYPLXJPHZ-UHFFFAOYSA-N 0 0 412.327 5.039 40 0 HKABRN Cc1cccc(CCCNC(=O)COc2ccc3ccccc3c2Br)c1 ZINC000218905609 568485085 /nfs/dbraw/zinc/48/50/85/568485085.db2.gz MCJFOHPOKQMGSX-UHFFFAOYSA-N 0 0 412.327 5.039 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)COc2ccc3ccccc3c2Br)cc1C ZINC000218907336 568485057 /nfs/dbraw/zinc/48/50/57/568485057.db2.gz AFCWTQMTQHUYQL-MRXNPFEDSA-N 0 0 412.327 5.475 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)COc2ccc3ccccc3c2Br)cc1C ZINC000218907409 568485019 /nfs/dbraw/zinc/48/50/19/568485019.db2.gz AFCWTQMTQHUYQL-INIZCTEOSA-N 0 0 412.327 5.475 40 0 HKABRN O=C(COc1cccc2ccccc21)NCCSCc1ccc(Cl)cc1Cl ZINC000218909206 568485017 /nfs/dbraw/zinc/48/50/17/568485017.db2.gz FWCYGOFITDHYEO-UHFFFAOYSA-N 0 0 420.361 5.575 40 0 HKABRN O=C(COc1cccc2ccccc21)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000218909305 568485014 /nfs/dbraw/zinc/48/50/14/568485014.db2.gz QEICEOVPCNNZSR-UHFFFAOYSA-N 0 0 420.361 5.575 40 0 HKABRN O=C(COc1cccc2ccccc21)NCCSCc1c(Cl)cccc1Cl ZINC000218909738 568485037 /nfs/dbraw/zinc/48/50/37/568485037.db2.gz WZDHCOKXRWXODQ-UHFFFAOYSA-N 0 0 420.361 5.575 40 0 HKABRN O=C(COc1cccc2ccccc21)NCCSCc1c(F)cccc1Cl ZINC000218909850 568485076 /nfs/dbraw/zinc/48/50/76/568485076.db2.gz KVPPAIQXJDPJOA-UHFFFAOYSA-N 0 0 403.906 5.061 40 0 HKABRN O=C(COc1cccc2ccccc21)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000218910108 568485009 /nfs/dbraw/zinc/48/50/09/568485009.db2.gz LQKKVLHCALLBRL-UHFFFAOYSA-N 0 0 403.865 6.303 40 0 HKABRN O=C(COc1cccc2ccccc21)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000218910692 568485045 /nfs/dbraw/zinc/48/50/45/568485045.db2.gz IWWDYRNGCPMELT-UHFFFAOYSA-N 0 0 411.545 6.325 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc(C)c1Cl ZINC000218918364 568485194 /nfs/dbraw/zinc/48/51/94/568485194.db2.gz VHVLRGHRUISYLR-UHFFFAOYSA-N 0 0 411.954 6.267 40 0 HKABRN Cc1cc(OCC(=O)NCCSCc2c(F)cccc2Cl)cc(C)c1Cl ZINC000218919355 568485158 /nfs/dbraw/zinc/48/51/58/568485158.db2.gz AXWBRSTWEGGPMZ-UHFFFAOYSA-N 0 0 416.345 5.178 40 0 HKABRN Cc1cc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc(C)c1Cl ZINC000218919816 568485109 /nfs/dbraw/zinc/48/51/09/568485109.db2.gz SAMSGJMLBXZQSG-UHFFFAOYSA-N 0 0 416.304 6.420 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(C)c1Cl ZINC000218921014 568485115 /nfs/dbraw/zinc/48/51/15/568485115.db2.gz XYPBDNQYTNWGRC-UHFFFAOYSA-N 0 0 423.984 6.442 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000218928722 568485103 /nfs/dbraw/zinc/48/51/03/568485103.db2.gz PNULNXMPJSBJAG-UHFFFAOYSA-N 0 0 405.563 6.294 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)NCCSCc2c(F)cccc2Cl)cc1 ZINC000218929479 568485152 /nfs/dbraw/zinc/48/51/52/568485152.db2.gz CWMVBJRYVOZVPG-UHFFFAOYSA-N 0 0 409.954 5.205 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000218930013 568485167 /nfs/dbraw/zinc/48/51/67/568485167.db2.gz XGDLSDBPODNMIA-UHFFFAOYSA-N 0 0 409.913 6.447 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000218930501 568485141 /nfs/dbraw/zinc/48/51/41/568485141.db2.gz KUAIKHVEXYKKTG-UHFFFAOYSA-N 0 0 417.593 6.469 40 0 HKABRN Cc1cc(OCC(=O)NCCSCc2ccc(Cl)cc2Cl)ccc1Cl ZINC000218936777 568485279 /nfs/dbraw/zinc/48/52/79/568485279.db2.gz CKKXVNWQXYKFSF-UHFFFAOYSA-N 0 0 418.773 5.384 40 0 HKABRN Cc1cc(OCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000218936861 568485285 /nfs/dbraw/zinc/48/52/85/568485285.db2.gz HBOYEVOWKXLSGB-UHFFFAOYSA-N 0 0 418.773 5.384 40 0 HKABRN Cc1cc(OCC(=O)NCCSCc2c(Cl)cccc2Cl)ccc1Cl ZINC000218937223 568485281 /nfs/dbraw/zinc/48/52/81/568485281.db2.gz DPJBTBLZHDKYFD-UHFFFAOYSA-N 0 0 418.773 5.384 40 0 HKABRN Cc1cc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1Cl ZINC000218937684 568485258 /nfs/dbraw/zinc/48/52/58/568485258.db2.gz YYMSEYGBZYEOSQ-UHFFFAOYSA-N 0 0 402.277 6.112 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1Cl ZINC000218937836 568485241 /nfs/dbraw/zinc/48/52/41/568485241.db2.gz MAGHFXWTJDLXMN-UHFFFAOYSA-N 0 0 409.957 6.134 40 0 HKABRN C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000218944645 568485302 /nfs/dbraw/zinc/48/53/02/568485302.db2.gz QZDRGKNUAJMIMC-CYBMUJFWSA-N 0 0 424.766 5.656 40 0 HKABRN C[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000218944693 568485301 /nfs/dbraw/zinc/48/53/01/568485301.db2.gz QZDRGKNUAJMIMC-ZDUSSCGKSA-N 0 0 424.766 5.656 40 0 HKABRN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(OC2CCCC2)cc1 ZINC000218946372 568485239 /nfs/dbraw/zinc/48/52/39/568485239.db2.gz QTZYDUVQZMRUEP-UHFFFAOYSA-N 0 0 424.722 5.441 40 0 HKABRN CC[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(C)c(C)c1 ZINC000218947173 568485375 /nfs/dbraw/zinc/48/53/75/568485375.db2.gz YJYSYLBRZKWZOZ-QGZVFWFLSA-N 0 0 410.739 5.366 40 0 HKABRN CC[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(C)c(C)c1 ZINC000218947210 568485366 /nfs/dbraw/zinc/48/53/66/568485366.db2.gz YJYSYLBRZKWZOZ-KRWDZBQOSA-N 0 0 410.739 5.366 40 0 HKABRN CC[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(C)cc1C ZINC000218947252 568485362 /nfs/dbraw/zinc/48/53/62/568485362.db2.gz ZAJGHAXBYAWXEE-QGZVFWFLSA-N 0 0 410.739 5.366 40 0 HKABRN CC[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(C)cc1C ZINC000218947259 568485360 /nfs/dbraw/zinc/48/53/60/568485360.db2.gz ZAJGHAXBYAWXEE-KRWDZBQOSA-N 0 0 410.739 5.366 40 0 HKABRN CC(C)c1ccc(CCCNC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000218947579 568485434 /nfs/dbraw/zinc/48/54/34/568485434.db2.gz YRWZXDFUBYILQL-UHFFFAOYSA-N 0 0 424.766 5.354 40 0 HKABRN CC(C)c1ccc(OCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000218959102 568485342 /nfs/dbraw/zinc/48/53/42/568485342.db2.gz TZQLHPAIZLJFOS-UHFFFAOYSA-N 0 0 412.382 5.545 40 0 HKABRN CC(C)c1ccc(OCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000218959162 568485381 /nfs/dbraw/zinc/48/53/81/568485381.db2.gz CQUMBNLBFBZZTD-UHFFFAOYSA-N 0 0 412.382 5.545 40 0 HKABRN CC(C)c1ccc(OCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000218959494 568485404 /nfs/dbraw/zinc/48/54/04/568485404.db2.gz WOZQBXGEQYZUAX-UHFFFAOYSA-N 0 0 412.382 5.545 40 0 HKABRN CC(C)c1ccc(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000218960301 568485335 /nfs/dbraw/zinc/48/53/35/568485335.db2.gz FCKVYXIKTCDJRJ-UHFFFAOYSA-N 0 0 403.566 6.295 40 0 HKABRN Cc1cc(C)c(C)c(OCC(=O)NCCSCc2ccc(Cl)cc2Cl)c1 ZINC000218965380 568485401 /nfs/dbraw/zinc/48/54/01/568485401.db2.gz FDKJPZHBUNERTK-UHFFFAOYSA-N 0 0 412.382 5.347 40 0 HKABRN Cc1cc(C)c(C)c(OCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 ZINC000218965444 568485397 /nfs/dbraw/zinc/48/53/97/568485397.db2.gz KVIXMOOPOMPBCC-UHFFFAOYSA-N 0 0 412.382 5.347 40 0 HKABRN Cc1cc(C)c(C)c(OCC(=O)NCCSCc2c(Cl)cccc2Cl)c1 ZINC000218965718 568485333 /nfs/dbraw/zinc/48/53/33/568485333.db2.gz ZSQINCJHCWRBQU-UHFFFAOYSA-N 0 0 412.382 5.347 40 0 HKABRN Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000218967014 568485369 /nfs/dbraw/zinc/48/53/69/568485369.db2.gz BXPNFYZANJILOS-UHFFFAOYSA-N 0 0 403.566 6.097 40 0 HKABRN O=C(c1cccc(OCc2ccccc2)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000218975522 568485414 /nfs/dbraw/zinc/48/54/14/568485414.db2.gz VKQSZUGMIIWYOV-UHFFFAOYSA-N 0 0 407.513 6.108 40 0 HKABRN O=C(NCCSCc1ccccc1Cl)c1cccc(OCc2ccccc2)c1 ZINC000218975875 568485358 /nfs/dbraw/zinc/48/53/58/568485358.db2.gz RWLXDOHYSZBXJS-UHFFFAOYSA-N 0 0 411.954 5.582 40 0 HKABRN O=C(NCCSCc1cccc(Cl)c1)c1cccc(OCc2ccccc2)c1 ZINC000218975920 568485406 /nfs/dbraw/zinc/48/54/06/568485406.db2.gz JWDVZLUPNGXDMS-UHFFFAOYSA-N 0 0 411.954 5.582 40 0 HKABRN O=C(NCCSCc1ccc(Cl)cc1)c1cccc(OCc2ccccc2)c1 ZINC000218975968 568485350 /nfs/dbraw/zinc/48/53/50/568485350.db2.gz IPFSDVVRFZUTLA-UHFFFAOYSA-N 0 0 411.954 5.582 40 0 HKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000218976724 568485522 /nfs/dbraw/zinc/48/55/22/568485522.db2.gz YRGGCWZQXXMMPT-UHFFFAOYSA-N 0 0 420.940 5.190 40 0 HKABRN COC(=O)c1c(NC(=O)c2cccc(OCc3ccccc3)c2)sc2c1CCCC2 ZINC000218976776 568485452 /nfs/dbraw/zinc/48/54/52/568485452.db2.gz ZOWABKKCWJZXKC-UHFFFAOYSA-N 0 0 421.518 5.245 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000218977129 568485476 /nfs/dbraw/zinc/48/54/76/568485476.db2.gz LPROZGBQPUYQHT-UHFFFAOYSA-N 0 0 403.478 5.475 40 0 HKABRN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cccc(OCc2ccccc2)c1 ZINC000218978437 568485454 /nfs/dbraw/zinc/48/54/54/568485454.db2.gz MGJMWNHNFGDWLW-UHFFFAOYSA-N 0 0 407.469 5.749 40 0 HKABRN CC(C)Oc1cccc(CCCNC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000218978479 568485468 /nfs/dbraw/zinc/48/54/68/568485468.db2.gz WUTWIBGHWGOYNQ-UHFFFAOYSA-N 0 0 403.522 5.415 40 0 HKABRN CC(C)Oc1ccc(CCCNC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000218978521 568485519 /nfs/dbraw/zinc/48/55/19/568485519.db2.gz RQIOISONKFTIJB-UHFFFAOYSA-N 0 0 403.522 5.415 40 0 HKABRN CCCOc1ccccc1CCCNC(=O)c1cccc(OCc2ccccc2)c1 ZINC000218978784 568485478 /nfs/dbraw/zinc/48/54/78/568485478.db2.gz LPDWYTDAZPNHAF-UHFFFAOYSA-N 0 0 403.522 5.417 40 0 HKABRN Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(OCc3ccccc3)c1)CC(C)(C)O2 ZINC000218979092 568485473 /nfs/dbraw/zinc/48/54/73/568485473.db2.gz ZTYBVAVFMSJLLH-QHCPKHFHSA-N 0 0 401.506 5.606 40 0 HKABRN Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(OCc3ccccc3)c1)CC(C)(C)O2 ZINC000218979118 568485472 /nfs/dbraw/zinc/48/54/72/568485472.db2.gz ZTYBVAVFMSJLLH-HSZRJFAPSA-N 0 0 401.506 5.606 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000218979164 568485450 /nfs/dbraw/zinc/48/54/50/568485450.db2.gz RPXIUGFDOVMDNU-QHCPKHFHSA-N 0 0 401.506 5.606 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000218979196 568485460 /nfs/dbraw/zinc/48/54/60/568485460.db2.gz RPXIUGFDOVMDNU-HSZRJFAPSA-N 0 0 401.506 5.606 40 0 HKABRN COc1ccc2c(c1)[C@@H](NC(=O)c1cccc(OCc3ccccc3)c1)CC(C)(C)O2 ZINC000218979240 568485504 /nfs/dbraw/zinc/48/55/04/568485504.db2.gz CHDYLXYFEQSGJE-QHCPKHFHSA-N 0 0 417.505 5.306 40 0 HKABRN COc1ccc2c(c1)[C@H](NC(=O)c1cccc(OCc3ccccc3)c1)CC(C)(C)O2 ZINC000218979271 568485440 /nfs/dbraw/zinc/48/54/40/568485440.db2.gz CHDYLXYFEQSGJE-HSZRJFAPSA-N 0 0 417.505 5.306 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000218979313 568485462 /nfs/dbraw/zinc/48/54/62/568485462.db2.gz HAKDLQQWJOLQOX-QHCPKHFHSA-N 0 0 417.505 5.306 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000218979344 568485510 /nfs/dbraw/zinc/48/55/10/568485510.db2.gz HAKDLQQWJOLQOX-HSZRJFAPSA-N 0 0 417.505 5.306 40 0 HKABRN CC[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(OC)c(OC)c1 ZINC000218979603 568485490 /nfs/dbraw/zinc/48/54/90/568485490.db2.gz NDLXBLGLZOTQRZ-JOCHJYFZSA-N 0 0 405.494 5.164 40 0 HKABRN CC[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(OC)c(OC)c1 ZINC000218979631 568485502 /nfs/dbraw/zinc/48/55/02/568485502.db2.gz NDLXBLGLZOTQRZ-QFIPXVFZSA-N 0 0 405.494 5.164 40 0 HKABRN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccccc1OCc1ccccc1 ZINC000218986995 568485541 /nfs/dbraw/zinc/48/55/41/568485541.db2.gz GCLVWEISVDJQSH-UHFFFAOYSA-N 0 0 407.469 5.749 40 0 HKABRN CC(C)Oc1cccc(CCCNC(=O)c2ccccc2OCc2ccccc2)c1 ZINC000218987021 568485542 /nfs/dbraw/zinc/48/55/42/568485542.db2.gz IYTVOHMKWMFNGW-UHFFFAOYSA-N 0 0 403.522 5.415 40 0 HKABRN CC(C)Oc1ccc(CCCNC(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000218987058 568485600 /nfs/dbraw/zinc/48/56/00/568485600.db2.gz BTSAWHSTXIVVBT-UHFFFAOYSA-N 0 0 403.522 5.415 40 0 HKABRN CCCOc1ccccc1CCCNC(=O)c1ccccc1OCc1ccccc1 ZINC000218987264 568485584 /nfs/dbraw/zinc/48/55/84/568485584.db2.gz KEDCESVOOQOJJK-UHFFFAOYSA-N 0 0 403.522 5.417 40 0 HKABRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1OCc1ccccc1)CC(C)(C)O2 ZINC000218987562 568485602 /nfs/dbraw/zinc/48/56/02/568485602.db2.gz FKWMNVLYCCGWDD-QFIPXVFZSA-N 0 0 401.506 5.606 40 0 HKABRN Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1OCc1ccccc1)CC(C)(C)O2 ZINC000218987591 568485581 /nfs/dbraw/zinc/48/55/81/568485581.db2.gz FKWMNVLYCCGWDD-JOCHJYFZSA-N 0 0 401.506 5.606 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1OCc1ccccc1 ZINC000218987635 568485546 /nfs/dbraw/zinc/48/55/46/568485546.db2.gz UXBSGPNXOWLMFO-QFIPXVFZSA-N 0 0 401.506 5.606 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1OCc1ccccc1 ZINC000218987659 568485552 /nfs/dbraw/zinc/48/55/52/568485552.db2.gz UXBSGPNXOWLMFO-JOCHJYFZSA-N 0 0 401.506 5.606 40 0 HKABRN COc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1OCc1ccccc1)CC(C)(C)O2 ZINC000218987696 568485578 /nfs/dbraw/zinc/48/55/78/568485578.db2.gz CKTFPPVAQVZBDK-QFIPXVFZSA-N 0 0 417.505 5.306 40 0 HKABRN COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1OCc1ccccc1)CC(C)(C)O2 ZINC000218987727 568485561 /nfs/dbraw/zinc/48/55/61/568485561.db2.gz CKTFPPVAQVZBDK-JOCHJYFZSA-N 0 0 417.505 5.306 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1OCc1ccccc1 ZINC000218987763 568485632 /nfs/dbraw/zinc/48/56/32/568485632.db2.gz CHOVUGUMSLHNGI-QFIPXVFZSA-N 0 0 417.505 5.306 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1OCc1ccccc1 ZINC000218987791 568485607 /nfs/dbraw/zinc/48/56/07/568485607.db2.gz CHOVUGUMSLHNGI-JOCHJYFZSA-N 0 0 417.505 5.306 40 0 HKABRN CC[C@@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000218988024 568485616 /nfs/dbraw/zinc/48/56/16/568485616.db2.gz UVPZZAOXHAZEJM-OAQYLSRUSA-N 0 0 405.494 5.164 40 0 HKABRN CC[C@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000218988046 568485544 /nfs/dbraw/zinc/48/55/44/568485544.db2.gz UVPZZAOXHAZEJM-NRFANRHFSA-N 0 0 405.494 5.164 40 0 HKABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1OCc1ccccc1 ZINC000218988833 568485665 /nfs/dbraw/zinc/48/56/65/568485665.db2.gz HVCOKDOEWZATGV-UHFFFAOYSA-N 0 0 419.506 5.039 40 0 HKABRN CC(C)Oc1cccc(CNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 ZINC000218989060 568485658 /nfs/dbraw/zinc/48/56/58/568485658.db2.gz GYMVGKBFCJQQPQ-UHFFFAOYSA-N 0 0 409.913 5.636 40 0 HKABRN C[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000218989250 568485672 /nfs/dbraw/zinc/48/56/72/568485672.db2.gz LBFYUFPDQJPTET-GOSISDBHSA-N 0 0 421.968 6.708 40 0 HKABRN C[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000218989276 568485668 /nfs/dbraw/zinc/48/56/68/568485668.db2.gz LBFYUFPDQJPTET-SFHVURJKSA-N 0 0 421.968 6.708 40 0 HKABRN O=C(NCCCc1ccccc1Cl)c1ccc(OCc2ccccc2Cl)cc1 ZINC000218989320 568485666 /nfs/dbraw/zinc/48/56/66/568485666.db2.gz KXQATEJOVWNSFF-UHFFFAOYSA-N 0 0 414.332 5.935 40 0 HKABRN O=C(NCCCc1ccc(Cl)cc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000218989362 568485692 /nfs/dbraw/zinc/48/56/92/568485692.db2.gz RDGJKXYBMCIBHF-UHFFFAOYSA-N 0 0 414.332 5.935 40 0 HKABRN COc1ccccc1CCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000218989442 568485656 /nfs/dbraw/zinc/48/56/56/568485656.db2.gz BCNWRZYUNRFXLC-UHFFFAOYSA-N 0 0 409.913 5.290 40 0 HKABRN COc1cccc(CCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 ZINC000218989484 568485706 /nfs/dbraw/zinc/48/57/06/568485706.db2.gz UDXUJNHRVXKIDX-UHFFFAOYSA-N 0 0 409.913 5.290 40 0 HKABRN COc1ccc(CCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000218989522 568485669 /nfs/dbraw/zinc/48/56/69/568485669.db2.gz IQXVMNPYFRRWMT-UHFFFAOYSA-N 0 0 409.913 5.290 40 0 HKABRN CCOc1ccccc1CCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000218989754 568485681 /nfs/dbraw/zinc/48/56/81/568485681.db2.gz GPSQEORNKADUMV-UHFFFAOYSA-N 0 0 423.940 5.680 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 ZINC000218989917 568485700 /nfs/dbraw/zinc/48/57/00/568485700.db2.gz NTIPPEJMNMSMIM-UHFFFAOYSA-N 0 0 409.869 5.348 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1C ZINC000218989955 568485654 /nfs/dbraw/zinc/48/56/54/568485654.db2.gz MJNQXMSKYPLAFJ-UHFFFAOYSA-N 0 0 423.896 5.656 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 ZINC000218989991 568485689 /nfs/dbraw/zinc/48/56/89/568485689.db2.gz WWLSLXJKHSCFCY-UHFFFAOYSA-N 0 0 423.896 5.656 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c(C)c1 ZINC000218990036 568485663 /nfs/dbraw/zinc/48/56/63/568485663.db2.gz VCDCNXCPEHMWSH-UHFFFAOYSA-N 0 0 423.896 5.656 40 0 HKABRN O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000218990527 568485673 /nfs/dbraw/zinc/48/56/73/568485673.db2.gz NTIUVBKEXUVQMK-UHFFFAOYSA-N 0 0 421.924 6.493 40 0 HKABRN CC1(C)C[C@@H](NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2O1 ZINC000218990686 568485722 /nfs/dbraw/zinc/48/57/22/568485722.db2.gz DINZWRXESNQUST-JOCHJYFZSA-N 0 0 421.924 5.951 40 0 HKABRN CC1(C)C[C@H](NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2O1 ZINC000218990735 568485713 /nfs/dbraw/zinc/48/57/13/568485713.db2.gz DINZWRXESNQUST-QFIPXVFZSA-N 0 0 421.924 5.951 40 0 HKABRN CCOc1ccc(CCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000218990805 568485657 /nfs/dbraw/zinc/48/56/57/568485657.db2.gz XYFSLVNBJWNIEV-UHFFFAOYSA-N 0 0 423.940 5.680 40 0 HKABRN Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000218991069 568485708 /nfs/dbraw/zinc/48/57/08/568485708.db2.gz RGHUNHADONLNFX-GOSISDBHSA-N 0 0 409.913 5.425 40 0 HKABRN Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000218991142 568485659 /nfs/dbraw/zinc/48/56/59/568485659.db2.gz RGHUNHADONLNFX-SFHVURJKSA-N 0 0 409.913 5.425 40 0 HKABRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000218991234 568485667 /nfs/dbraw/zinc/48/56/67/568485667.db2.gz LSDZVXPIMMCQET-GOSISDBHSA-N 0 0 409.913 5.425 40 0 HKABRN Cc1ccc(OC[C@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000218991304 568485721 /nfs/dbraw/zinc/48/57/21/568485721.db2.gz LSDZVXPIMMCQET-SFHVURJKSA-N 0 0 409.913 5.425 40 0 HKABRN CC[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(C)c(C)c1 ZINC000218991897 568485819 /nfs/dbraw/zinc/48/58/19/568485819.db2.gz GQWNAHDSPKWDAI-XMMPIXPASA-N 0 0 407.941 6.417 40 0 HKABRN CC[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(C)c(C)c1 ZINC000218991980 568485771 /nfs/dbraw/zinc/48/57/71/568485771.db2.gz GQWNAHDSPKWDAI-DEOSSOPVSA-N 0 0 407.941 6.417 40 0 HKABRN CC[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(C)cc1C ZINC000218992091 568485772 /nfs/dbraw/zinc/48/57/72/568485772.db2.gz QXPTWVXWFNMOOR-XMMPIXPASA-N 0 0 407.941 6.417 40 0 HKABRN CC[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(C)cc1C ZINC000218992156 568485762 /nfs/dbraw/zinc/48/57/62/568485762.db2.gz QXPTWVXWFNMOOR-DEOSSOPVSA-N 0 0 407.941 6.417 40 0 HKABRN CC(C)c1ccc(CCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000218993047 568485779 /nfs/dbraw/zinc/48/57/79/568485779.db2.gz TVNNUDQAPPCJHJ-UHFFFAOYSA-N 0 0 421.968 6.405 40 0 HKABRN CN(CCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 ZINC000218993140 568485797 /nfs/dbraw/zinc/48/57/97/568485797.db2.gz NQIGSWCQNKXSQE-UHFFFAOYSA-N 0 0 408.929 5.175 40 0 HKABRN CCOc1ccc(CNC(=O)c2ccccc2CCc2ccccc2)cc1OCC ZINC000219001619 568485811 /nfs/dbraw/zinc/48/58/11/568485811.db2.gz BSQCWSILHSBGMG-UHFFFAOYSA-N 0 0 403.522 5.199 40 0 HKABRN COc1cc(CNC(=O)c2ccccc2CCc2ccccc2)ccc1OC(C)C ZINC000219001740 568485765 /nfs/dbraw/zinc/48/57/65/568485765.db2.gz MLRFZBMIJMUERY-UHFFFAOYSA-N 0 0 403.522 5.198 40 0 HKABRN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccccc1CCc1ccccc1 ZINC000219004017 568485796 /nfs/dbraw/zinc/48/57/96/568485796.db2.gz IHDUYYIZADITJO-UHFFFAOYSA-N 0 0 405.497 5.955 40 0 HKABRN CC(C)Oc1cccc(CCCNC(=O)c2ccccc2CCc2ccccc2)c1 ZINC000219004127 568485768 /nfs/dbraw/zinc/48/57/68/568485768.db2.gz GVBLHLFUYOQWSQ-UHFFFAOYSA-N 0 0 401.550 5.622 40 0 HKABRN CC(C)Oc1ccc(CCCNC(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000219004229 568485783 /nfs/dbraw/zinc/48/57/83/568485783.db2.gz IWCSYPNCFOYEOU-UHFFFAOYSA-N 0 0 401.550 5.622 40 0 HKABRN CCCOc1ccccc1CCCNC(=O)c1ccccc1CCc1ccccc1 ZINC000219004798 568485781 /nfs/dbraw/zinc/48/57/81/568485781.db2.gz KUGBGTLJPCQOAG-UHFFFAOYSA-N 0 0 401.550 5.623 40 0 HKABRN COc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1CCc1ccccc1)CC(C)(C)O2 ZINC000219006051 568485936 /nfs/dbraw/zinc/48/59/36/568485936.db2.gz HFIARGUJFUNDER-DEOSSOPVSA-N 0 0 415.533 5.513 40 0 HKABRN COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1CCc1ccccc1)CC(C)(C)O2 ZINC000219006120 568485888 /nfs/dbraw/zinc/48/58/88/568485888.db2.gz HFIARGUJFUNDER-XMMPIXPASA-N 0 0 415.533 5.513 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1CCc1ccccc1 ZINC000219006221 568485904 /nfs/dbraw/zinc/48/59/04/568485904.db2.gz HYKOSWRRESFYHX-DEOSSOPVSA-N 0 0 415.533 5.513 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1CCc1ccccc1 ZINC000219006301 568485895 /nfs/dbraw/zinc/48/58/95/568485895.db2.gz HYKOSWRRESFYHX-XMMPIXPASA-N 0 0 415.533 5.513 40 0 HKABRN CC[C@@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000219006945 568485872 /nfs/dbraw/zinc/48/58/72/568485872.db2.gz LKQBACBTNKNKCM-HSZRJFAPSA-N 0 0 403.522 5.370 40 0 HKABRN CC[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000219007030 568485876 /nfs/dbraw/zinc/48/58/76/568485876.db2.gz LKQBACBTNKNKCM-QHCPKHFHSA-N 0 0 403.522 5.370 40 0 HKABRN O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccccc1CCc1ccccc1 ZINC000219007516 568485884 /nfs/dbraw/zinc/48/58/84/568485884.db2.gz JLMIUZWHGCZPDC-UHFFFAOYSA-N 0 0 417.896 5.105 40 0 HKABRN COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc3ccccc3c1)CC(C)(C)O2 ZINC000219030805 568485979 /nfs/dbraw/zinc/48/59/79/568485979.db2.gz KLSPSEFJEGRBCE-ZHRRBRCNSA-N 0 0 405.494 5.034 40 0 HKABRN COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc3ccccc3c1)CC(C)(C)O2 ZINC000219030896 568486014 /nfs/dbraw/zinc/48/60/14/568486014.db2.gz KLSPSEFJEGRBCE-OPAMFIHVSA-N 0 0 405.494 5.034 40 0 HKABRN COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccc3ccccc3c1)CC(C)(C)O2 ZINC000219030974 568485995 /nfs/dbraw/zinc/48/59/95/568485995.db2.gz KLSPSEFJEGRBCE-AOMKIAJQSA-N 0 0 405.494 5.034 40 0 HKABRN COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc3ccccc3c1)CC(C)(C)O2 ZINC000219031039 568486037 /nfs/dbraw/zinc/48/60/37/568486037.db2.gz KLSPSEFJEGRBCE-KSFYIVLOSA-N 0 0 405.494 5.034 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000219031161 568486041 /nfs/dbraw/zinc/48/60/41/568486041.db2.gz PJEPZMRBACQFQZ-ZHRRBRCNSA-N 0 0 405.494 5.034 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000219031230 568485980 /nfs/dbraw/zinc/48/59/80/568485980.db2.gz PJEPZMRBACQFQZ-OPAMFIHVSA-N 0 0 405.494 5.034 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000219031309 568485988 /nfs/dbraw/zinc/48/59/88/568485988.db2.gz PJEPZMRBACQFQZ-AOMKIAJQSA-N 0 0 405.494 5.034 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000219031389 568486018 /nfs/dbraw/zinc/48/60/18/568486018.db2.gz PJEPZMRBACQFQZ-KSFYIVLOSA-N 0 0 405.494 5.034 40 0 HKABRN COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1cccc3ccccc31)CC(C)(C)O2 ZINC000219046151 568486266 /nfs/dbraw/zinc/48/62/66/568486266.db2.gz ORKRXZOEBGACAX-IERDGZPVSA-N 0 0 405.494 5.034 40 0 HKABRN COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1cccc3ccccc31)CC(C)(C)O2 ZINC000219046210 568486253 /nfs/dbraw/zinc/48/62/53/568486253.db2.gz ORKRXZOEBGACAX-IIBYNOLFSA-N 0 0 405.494 5.034 40 0 HKABRN COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1cccc3ccccc31)CC(C)(C)O2 ZINC000219046273 568486238 /nfs/dbraw/zinc/48/62/38/568486238.db2.gz ORKRXZOEBGACAX-KKSFZXQISA-N 0 0 405.494 5.034 40 0 HKABRN COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1cccc3ccccc31)CC(C)(C)O2 ZINC000219046360 568486258 /nfs/dbraw/zinc/48/62/58/568486258.db2.gz ORKRXZOEBGACAX-HRAATJIYSA-N 0 0 405.494 5.034 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000219046479 568486264 /nfs/dbraw/zinc/48/62/64/568486264.db2.gz IPYTXSTVEOFXLG-IERDGZPVSA-N 0 0 405.494 5.034 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000219046546 568486242 /nfs/dbraw/zinc/48/62/42/568486242.db2.gz IPYTXSTVEOFXLG-IIBYNOLFSA-N 0 0 405.494 5.034 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cccc2ccccc21 ZINC000219046628 568486243 /nfs/dbraw/zinc/48/62/43/568486243.db2.gz IPYTXSTVEOFXLG-KKSFZXQISA-N 0 0 405.494 5.034 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1cccc2ccccc21 ZINC000219046705 568486249 /nfs/dbraw/zinc/48/62/49/568486249.db2.gz IPYTXSTVEOFXLG-HRAATJIYSA-N 0 0 405.494 5.034 40 0 HKABRN CCOc1ccc(CNC(=O)CC(c2ccccc2)c2ccccc2)cc1OCC ZINC000219126341 568487068 /nfs/dbraw/zinc/48/70/68/568487068.db2.gz GFYYSQAQRPUBSB-UHFFFAOYSA-N 0 0 403.522 5.322 40 0 HKABRN COc1cc(CNC(=O)CC(c2ccccc2)c2ccccc2)ccc1OC(C)C ZINC000219126438 568487066 /nfs/dbraw/zinc/48/70/66/568487066.db2.gz MHWGZEMRVKIAJL-UHFFFAOYSA-N 0 0 403.522 5.321 40 0 HKABRN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)c1ccccc1 ZINC000219128550 568487057 /nfs/dbraw/zinc/48/70/57/568487057.db2.gz MQYUXRGBEDJJIQ-UHFFFAOYSA-N 0 0 405.497 6.078 40 0 HKABRN CC(C)Oc1cccc(CCCNC(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000219128657 568487102 /nfs/dbraw/zinc/48/71/02/568487102.db2.gz AWMWFOYFPZUWSS-UHFFFAOYSA-N 0 0 401.550 5.745 40 0 HKABRN CC(C)Oc1ccc(CCCNC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000219128773 568487083 /nfs/dbraw/zinc/48/70/83/568487083.db2.gz TXSDNFSEXBNDAR-UHFFFAOYSA-N 0 0 401.550 5.745 40 0 HKABRN CCCOc1ccccc1CCCNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000219129363 568487080 /nfs/dbraw/zinc/48/70/80/568487080.db2.gz SUIQZRNFGKMAES-UHFFFAOYSA-N 0 0 401.550 5.746 40 0 HKABRN COc1ccc2c(c1)[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)CC(C)(C)O2 ZINC000219130565 568487096 /nfs/dbraw/zinc/48/70/96/568487096.db2.gz UDVKFYBMQXWWJY-DEOSSOPVSA-N 0 0 415.533 5.636 40 0 HKABRN COc1ccc2c(c1)[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)CC(C)(C)O2 ZINC000219130650 568487077 /nfs/dbraw/zinc/48/70/77/568487077.db2.gz UDVKFYBMQXWWJY-XMMPIXPASA-N 0 0 415.533 5.636 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000219130762 568487072 /nfs/dbraw/zinc/48/70/72/568487072.db2.gz PWCSWBVLFWORGU-DEOSSOPVSA-N 0 0 415.533 5.636 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000219130837 568487091 /nfs/dbraw/zinc/48/70/91/568487091.db2.gz PWCSWBVLFWORGU-XMMPIXPASA-N 0 0 415.533 5.636 40 0 HKABRN CC[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(OC)c(OC)c1 ZINC000219131301 568487090 /nfs/dbraw/zinc/48/70/90/568487090.db2.gz BZFSSSYGVZHXOL-HSZRJFAPSA-N 0 0 403.522 5.493 40 0 HKABRN CC[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(OC)c(OC)c1 ZINC000219131373 568487093 /nfs/dbraw/zinc/48/70/93/568487093.db2.gz BZFSSSYGVZHXOL-QHCPKHFHSA-N 0 0 403.522 5.493 40 0 HKABRN O=C(CC(c1ccccc1)c1ccccc1)NCc1nc(-c2ccccc2Cl)no1 ZINC000219131881 568487079 /nfs/dbraw/zinc/48/70/79/568487079.db2.gz SKIYBRTXIKRJLV-UHFFFAOYSA-N 0 0 417.896 5.228 40 0 HKABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000219133527 568487099 /nfs/dbraw/zinc/48/70/99/568487099.db2.gz HVHJKLFENUOODJ-UHFFFAOYSA-N 0 0 417.534 5.369 40 0 HKABRN O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000219198211 568487792 /nfs/dbraw/zinc/48/77/92/568487792.db2.gz IPUJWIAEATYDSP-UHFFFAOYSA-N 0 0 402.519 5.358 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000219199752 568487756 /nfs/dbraw/zinc/48/77/56/568487756.db2.gz MKWATZYCJXFURO-UHFFFAOYSA-N 0 0 406.869 5.511 40 0 HKABRN O=C(Nc1ccc(CSc2ccccc2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000219208573 568487849 /nfs/dbraw/zinc/48/78/49/568487849.db2.gz XXYOGFXGJDLSSO-UHFFFAOYSA-N 0 0 402.519 5.358 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000219210200 568487998 /nfs/dbraw/zinc/48/79/98/568487998.db2.gz GBFLLZMJERYWMV-UHFFFAOYSA-N 0 0 406.869 5.511 40 0 HKABRN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc(N2CCCC2=O)c1 ZINC000219211144 568487964 /nfs/dbraw/zinc/48/79/64/568487964.db2.gz FFQXJEBQPSVJCN-UHFFFAOYSA-N 0 0 414.549 5.534 40 0 HKABRN Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000219265200 568488754 /nfs/dbraw/zinc/48/87/54/568488754.db2.gz XEGZJZKRLSXUCV-HXUWFJFHSA-N 0 0 421.562 5.363 40 0 HKABRN Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000219265241 568488771 /nfs/dbraw/zinc/48/87/71/568488771.db2.gz XEGZJZKRLSXUCV-FQEVSTJZSA-N 0 0 421.562 5.363 40 0 HKABRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000219265314 568488776 /nfs/dbraw/zinc/48/87/76/568488776.db2.gz XJIZDFQPZIXCOM-HXUWFJFHSA-N 0 0 421.562 5.363 40 0 HKABRN Cc1ccc(OC[C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000219265378 568488765 /nfs/dbraw/zinc/48/87/65/568488765.db2.gz XJIZDFQPZIXCOM-FQEVSTJZSA-N 0 0 421.562 5.363 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1C ZINC000219265648 568488777 /nfs/dbraw/zinc/48/87/77/568488777.db2.gz FHOZJOCBLRZDSY-HXUWFJFHSA-N 0 0 405.563 5.966 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1C ZINC000219265697 568488778 /nfs/dbraw/zinc/48/87/78/568488778.db2.gz FHOZJOCBLRZDSY-FQEVSTJZSA-N 0 0 405.563 5.966 40 0 HKABRN CC[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(C)c(C)c1 ZINC000219265761 568488763 /nfs/dbraw/zinc/48/87/63/568488763.db2.gz QMJLZSXTDWMXSP-RUZDIDTESA-N 0 0 419.590 6.356 40 0 HKABRN CC[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(C)c(C)c1 ZINC000219265808 568488735 /nfs/dbraw/zinc/48/87/35/568488735.db2.gz QMJLZSXTDWMXSP-VWLOTQADSA-N 0 0 419.590 6.356 40 0 HKABRN CC[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(C)cc1C ZINC000219265873 568488690 /nfs/dbraw/zinc/48/86/90/568488690.db2.gz WKTDVEKOWMCTKX-RUZDIDTESA-N 0 0 419.590 6.356 40 0 HKABRN CC[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(C)cc1C ZINC000219265920 568488764 /nfs/dbraw/zinc/48/87/64/568488764.db2.gz WKTDVEKOWMCTKX-VWLOTQADSA-N 0 0 419.590 6.356 40 0 HKABRN CN(CCCNC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccccc1 ZINC000219266384 568488780 /nfs/dbraw/zinc/48/87/80/568488780.db2.gz MJHGQTWUIOYUSV-UHFFFAOYSA-N 0 0 420.578 5.114 40 0 HKABRN CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OCC ZINC000219278365 568488901 /nfs/dbraw/zinc/48/89/01/568488901.db2.gz DYCCFRZLYMJXMH-UHFFFAOYSA-N 0 0 417.505 5.286 40 0 HKABRN CCOc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1OCC ZINC000219279378 568488814 /nfs/dbraw/zinc/48/88/14/568488814.db2.gz DWNKWTMJAPBAID-HXUWFJFHSA-N 0 0 411.542 5.144 40 0 HKABRN CCOc1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1OCC ZINC000219279417 568488908 /nfs/dbraw/zinc/48/89/08/568488908.db2.gz DWNKWTMJAPBAID-FQEVSTJZSA-N 0 0 411.542 5.144 40 0 HKABRN CCOc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1OCC ZINC000219279494 568488861 /nfs/dbraw/zinc/48/88/61/568488861.db2.gz GDMZKWNDHLUSMY-HXUWFJFHSA-N 0 0 411.542 5.144 40 0 HKABRN CCOc1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1OCC ZINC000219279528 568488845 /nfs/dbraw/zinc/48/88/45/568488845.db2.gz GDMZKWNDHLUSMY-FQEVSTJZSA-N 0 0 411.542 5.144 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000219336056 568490025 /nfs/dbraw/zinc/49/00/25/568490025.db2.gz DDKALECXEFKKIO-XMMPIXPASA-N 0 0 409.485 5.867 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000219336128 568489941 /nfs/dbraw/zinc/48/99/41/568489941.db2.gz DDKALECXEFKKIO-DEOSSOPVSA-N 0 0 409.485 5.867 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCCc1cccc(OC(C)C)c1 ZINC000219336219 568490019 /nfs/dbraw/zinc/49/00/19/568490019.db2.gz WIQQVQOEKAMLSY-XMMPIXPASA-N 0 0 405.538 5.533 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCCCc1cccc(OC(C)C)c1 ZINC000219336295 568490012 /nfs/dbraw/zinc/49/00/12/568490012.db2.gz WIQQVQOEKAMLSY-DEOSSOPVSA-N 0 0 405.538 5.533 40 0 HKABRN CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1cccc2ccccc21 ZINC000219337442 568490041 /nfs/dbraw/zinc/49/00/41/568490041.db2.gz QXTIZXIDGGVWLH-HSZRJFAPSA-N 0 0 405.538 5.535 40 0 HKABRN CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1cccc2ccccc21 ZINC000219337517 568490096 /nfs/dbraw/zinc/49/00/96/568490096.db2.gz QXTIZXIDGGVWLH-QHCPKHFHSA-N 0 0 405.538 5.535 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000219338915 568490094 /nfs/dbraw/zinc/49/00/94/568490094.db2.gz HROWKVOPFUOBGW-FGZHOGPDSA-N 0 0 403.522 5.724 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000219338984 568490080 /nfs/dbraw/zinc/49/00/80/568490080.db2.gz HROWKVOPFUOBGW-YADHBBJMSA-N 0 0 403.522 5.724 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000219339051 568490059 /nfs/dbraw/zinc/49/00/59/568490059.db2.gz HROWKVOPFUOBGW-FCHUYYIVSA-N 0 0 403.522 5.724 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000219339123 568490058 /nfs/dbraw/zinc/49/00/58/568490058.db2.gz HROWKVOPFUOBGW-VXKWHMMOSA-N 0 0 403.522 5.724 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000219339232 568490119 /nfs/dbraw/zinc/49/01/19/568490119.db2.gz JYGPMUKJIGMGEB-FGZHOGPDSA-N 0 0 403.522 5.724 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000219339296 568490090 /nfs/dbraw/zinc/49/00/90/568490090.db2.gz JYGPMUKJIGMGEB-YADHBBJMSA-N 0 0 403.522 5.724 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000219339362 568490105 /nfs/dbraw/zinc/49/01/05/568490105.db2.gz JYGPMUKJIGMGEB-FCHUYYIVSA-N 0 0 403.522 5.724 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000219339432 568490088 /nfs/dbraw/zinc/49/00/88/568490088.db2.gz JYGPMUKJIGMGEB-VXKWHMMOSA-N 0 0 403.522 5.724 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219339521 568490127 /nfs/dbraw/zinc/49/01/27/568490127.db2.gz AEFSGNCHFGGFEF-FGZHOGPDSA-N 0 0 419.521 5.424 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219339604 568490208 /nfs/dbraw/zinc/49/02/08/568490208.db2.gz AEFSGNCHFGGFEF-YADHBBJMSA-N 0 0 419.521 5.424 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219339691 568490234 /nfs/dbraw/zinc/49/02/34/568490234.db2.gz AEFSGNCHFGGFEF-FCHUYYIVSA-N 0 0 419.521 5.424 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219339763 568490236 /nfs/dbraw/zinc/49/02/36/568490236.db2.gz AEFSGNCHFGGFEF-VXKWHMMOSA-N 0 0 419.521 5.424 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219339850 568490248 /nfs/dbraw/zinc/49/02/48/568490248.db2.gz PHTOCBGGMRNMRT-FGZHOGPDSA-N 0 0 419.521 5.424 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219339927 568490233 /nfs/dbraw/zinc/49/02/33/568490233.db2.gz PHTOCBGGMRNMRT-YADHBBJMSA-N 0 0 419.521 5.424 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219340005 568490246 /nfs/dbraw/zinc/49/02/46/568490246.db2.gz PHTOCBGGMRNMRT-FCHUYYIVSA-N 0 0 419.521 5.424 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219340075 568490256 /nfs/dbraw/zinc/49/02/56/568490256.db2.gz PHTOCBGGMRNMRT-VXKWHMMOSA-N 0 0 419.521 5.424 40 0 HKABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1cccc2ccccc21)c1ccc(OC)c(OC)c1 ZINC000219340848 568490212 /nfs/dbraw/zinc/49/02/12/568490212.db2.gz LUZXSZNJCFGVCM-NHCUHLMSSA-N 0 0 407.510 5.282 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000219340904 568490196 /nfs/dbraw/zinc/49/01/96/568490196.db2.gz LUZXSZNJCFGVCM-LEWJYISDSA-N 0 0 407.510 5.282 40 0 HKABRN CC[C@@H](NC(=O)[C@H](CC)Oc1cccc2ccccc21)c1ccc(OC)c(OC)c1 ZINC000219340982 568490230 /nfs/dbraw/zinc/49/02/30/568490230.db2.gz LUZXSZNJCFGVCM-RTWAWAEBSA-N 0 0 407.510 5.282 40 0 HKABRN CC[C@H](NC(=O)[C@H](CC)Oc1cccc2ccccc21)c1ccc(OC)c(OC)c1 ZINC000219341067 568490203 /nfs/dbraw/zinc/49/02/03/568490203.db2.gz LUZXSZNJCFGVCM-SFTDATJTSA-N 0 0 407.510 5.282 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219342525 568490181 /nfs/dbraw/zinc/49/01/81/568490181.db2.gz MSVACBHHACNAGX-LJQANCHMSA-N 0 0 421.884 5.017 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219342590 568490186 /nfs/dbraw/zinc/49/01/86/568490186.db2.gz MSVACBHHACNAGX-IBGZPJMESA-N 0 0 421.884 5.017 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219342701 568490224 /nfs/dbraw/zinc/49/02/24/568490224.db2.gz XZUKVVQBZLPSEA-LJQANCHMSA-N 0 0 421.884 5.017 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219342774 568490266 /nfs/dbraw/zinc/49/02/66/568490266.db2.gz XZUKVVQBZLPSEA-IBGZPJMESA-N 0 0 421.884 5.017 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000219343258 568490188 /nfs/dbraw/zinc/49/01/88/568490188.db2.gz SCGHTQKNTASELU-OAQYLSRUSA-N 0 0 415.493 5.014 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000219343324 568490254 /nfs/dbraw/zinc/49/02/54/568490254.db2.gz SCGHTQKNTASELU-NRFANRHFSA-N 0 0 415.493 5.014 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219343429 568490250 /nfs/dbraw/zinc/49/02/50/568490250.db2.gz KMEMPLUGNNFENW-OAQYLSRUSA-N 0 0 415.493 5.014 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219343500 568490179 /nfs/dbraw/zinc/49/01/79/568490179.db2.gz KMEMPLUGNNFENW-NRFANRHFSA-N 0 0 415.493 5.014 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000219344484 568490344 /nfs/dbraw/zinc/49/03/44/568490344.db2.gz ZIMNJKFWUGUPOX-GOSISDBHSA-N 0 0 421.522 5.157 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000219344568 568490371 /nfs/dbraw/zinc/49/03/71/568490371.db2.gz ZIMNJKFWUGUPOX-SFHVURJKSA-N 0 0 421.522 5.157 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000219346607 568490366 /nfs/dbraw/zinc/49/03/66/568490366.db2.gz CROZIODDSVUNFP-RUZDIDTESA-N 0 0 409.485 5.867 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000219346675 568490353 /nfs/dbraw/zinc/49/03/53/568490353.db2.gz CROZIODDSVUNFP-VWLOTQADSA-N 0 0 409.485 5.867 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1cccc(OC(C)C)c1 ZINC000219346785 568490315 /nfs/dbraw/zinc/49/03/15/568490315.db2.gz YYPAZFGNCMSEAQ-RUZDIDTESA-N 0 0 405.538 5.533 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1cccc(OC(C)C)c1 ZINC000219346848 568490375 /nfs/dbraw/zinc/49/03/75/568490375.db2.gz YYPAZFGNCMSEAQ-VWLOTQADSA-N 0 0 405.538 5.533 40 0 HKABRN CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 ZINC000219347926 568490326 /nfs/dbraw/zinc/49/03/26/568490326.db2.gz BRBZAPSNNRERLI-XMMPIXPASA-N 0 0 405.538 5.535 40 0 HKABRN CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc2ccccc2c1 ZINC000219348007 568490316 /nfs/dbraw/zinc/49/03/16/568490316.db2.gz BRBZAPSNNRERLI-DEOSSOPVSA-N 0 0 405.538 5.535 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000219349502 568490321 /nfs/dbraw/zinc/49/03/21/568490321.db2.gz KPGXGPXYBWTOJZ-DHIUTWEWSA-N 0 0 403.522 5.724 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000219349576 568490377 /nfs/dbraw/zinc/49/03/77/568490377.db2.gz KPGXGPXYBWTOJZ-PKTZIBPZSA-N 0 0 403.522 5.724 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000219349644 568490325 /nfs/dbraw/zinc/49/03/25/568490325.db2.gz KPGXGPXYBWTOJZ-XZOQPEGZSA-N 0 0 403.522 5.724 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000219349709 568490332 /nfs/dbraw/zinc/49/03/32/568490332.db2.gz KPGXGPXYBWTOJZ-GOTSBHOMSA-N 0 0 403.522 5.724 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000219349807 568490328 /nfs/dbraw/zinc/49/03/28/568490328.db2.gz UMVABLHHTTYSCU-DHIUTWEWSA-N 0 0 403.522 5.724 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000219349884 568490348 /nfs/dbraw/zinc/49/03/48/568490348.db2.gz UMVABLHHTTYSCU-PKTZIBPZSA-N 0 0 403.522 5.724 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000219349944 568490346 /nfs/dbraw/zinc/49/03/46/568490346.db2.gz UMVABLHHTTYSCU-XZOQPEGZSA-N 0 0 403.522 5.724 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000219350022 568490364 /nfs/dbraw/zinc/49/03/64/568490364.db2.gz UMVABLHHTTYSCU-GOTSBHOMSA-N 0 0 403.522 5.724 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219350131 568490361 /nfs/dbraw/zinc/49/03/61/568490361.db2.gz MLFUIYIYNBCMHG-DHIUTWEWSA-N 0 0 419.521 5.424 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219350203 568490327 /nfs/dbraw/zinc/49/03/27/568490327.db2.gz MLFUIYIYNBCMHG-PKTZIBPZSA-N 0 0 419.521 5.424 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219350264 568490373 /nfs/dbraw/zinc/49/03/73/568490373.db2.gz MLFUIYIYNBCMHG-XZOQPEGZSA-N 0 0 419.521 5.424 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219350331 568490337 /nfs/dbraw/zinc/49/03/37/568490337.db2.gz MLFUIYIYNBCMHG-GOTSBHOMSA-N 0 0 419.521 5.424 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219350421 568490453 /nfs/dbraw/zinc/49/04/53/568490453.db2.gz DEYHHALLKLWABF-DHIUTWEWSA-N 0 0 419.521 5.424 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219350507 568490481 /nfs/dbraw/zinc/49/04/81/568490481.db2.gz DEYHHALLKLWABF-PKTZIBPZSA-N 0 0 419.521 5.424 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219350583 568490440 /nfs/dbraw/zinc/49/04/40/568490440.db2.gz DEYHHALLKLWABF-XZOQPEGZSA-N 0 0 419.521 5.424 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219350657 568490480 /nfs/dbraw/zinc/49/04/80/568490480.db2.gz DEYHHALLKLWABF-GOTSBHOMSA-N 0 0 419.521 5.424 40 0 HKABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1)c1ccc(OC)c(OC)c1 ZINC000219351414 568490492 /nfs/dbraw/zinc/49/04/92/568490492.db2.gz QUPHISGGBXFPKH-FGZHOGPDSA-N 0 0 407.510 5.282 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000219351487 568490487 /nfs/dbraw/zinc/49/04/87/568490487.db2.gz QUPHISGGBXFPKH-FCHUYYIVSA-N 0 0 407.510 5.282 40 0 HKABRN CC[C@@H](NC(=O)[C@H](CC)Oc1ccc2ccccc2c1)c1ccc(OC)c(OC)c1 ZINC000219351558 568490431 /nfs/dbraw/zinc/49/04/31/568490431.db2.gz QUPHISGGBXFPKH-YADHBBJMSA-N 0 0 407.510 5.282 40 0 HKABRN CC[C@H](NC(=O)[C@H](CC)Oc1ccc2ccccc2c1)c1ccc(OC)c(OC)c1 ZINC000219351641 568490471 /nfs/dbraw/zinc/49/04/71/568490471.db2.gz QUPHISGGBXFPKH-VXKWHMMOSA-N 0 0 407.510 5.282 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219353095 568490470 /nfs/dbraw/zinc/49/04/70/568490470.db2.gz ZADTUMPIOUHFKC-HXUWFJFHSA-N 0 0 421.884 5.017 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000219353174 568490429 /nfs/dbraw/zinc/49/04/29/568490429.db2.gz ZADTUMPIOUHFKC-FQEVSTJZSA-N 0 0 421.884 5.017 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219353265 568490436 /nfs/dbraw/zinc/49/04/36/568490436.db2.gz WVCCLFKYJLABGR-HXUWFJFHSA-N 0 0 421.884 5.017 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219353341 568490437 /nfs/dbraw/zinc/49/04/37/568490437.db2.gz WVCCLFKYJLABGR-FQEVSTJZSA-N 0 0 421.884 5.017 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000219353737 568490498 /nfs/dbraw/zinc/49/04/98/568490498.db2.gz HUFAHRDNBTYLQU-JOCHJYFZSA-N 0 0 415.493 5.014 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000219353815 568490459 /nfs/dbraw/zinc/49/04/59/568490459.db2.gz HUFAHRDNBTYLQU-QFIPXVFZSA-N 0 0 415.493 5.014 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219353914 568490434 /nfs/dbraw/zinc/49/04/34/568490434.db2.gz XGSBXOZOMFPXOZ-JOCHJYFZSA-N 0 0 415.493 5.014 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219353986 568490457 /nfs/dbraw/zinc/49/04/57/568490457.db2.gz XGSBXOZOMFPXOZ-QFIPXVFZSA-N 0 0 415.493 5.014 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000219354975 568490476 /nfs/dbraw/zinc/49/04/76/568490476.db2.gz WEBMYOBRIKSVQF-LJQANCHMSA-N 0 0 421.522 5.157 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000219355065 568490439 /nfs/dbraw/zinc/49/04/39/568490439.db2.gz WEBMYOBRIKSVQF-IBGZPJMESA-N 0 0 421.522 5.157 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000219383817 568490690 /nfs/dbraw/zinc/49/06/90/568490690.db2.gz RVXYQHSRPIQDQI-OAQYLSRUSA-N 0 0 409.938 6.080 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000219383884 568490815 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CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000219386913 568490841 /nfs/dbraw/zinc/49/08/41/568490841.db2.gz DAWCNCLFUJBDAC-QUCCMNQESA-N 0 0 403.975 5.938 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000219386990 568490829 /nfs/dbraw/zinc/49/08/29/568490829.db2.gz DAWCNCLFUJBDAC-AZUAARDMSA-N 0 0 403.975 5.938 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000219387073 568490806 /nfs/dbraw/zinc/49/08/06/568490806.db2.gz DAWCNCLFUJBDAC-ICSRJNTNSA-N 0 0 403.975 5.938 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000219387157 568490832 /nfs/dbraw/zinc/49/08/32/568490832.db2.gz YOTTZOMBCSOGEQ-UYAOXDASSA-N 0 0 403.975 5.938 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000219387224 568490821 /nfs/dbraw/zinc/49/08/21/568490821.db2.gz YOTTZOMBCSOGEQ-QUCCMNQESA-N 0 0 403.975 5.938 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000219387294 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NCZXIXKUJBAFBQ-ICSRJNTNSA-N 0 0 419.974 5.638 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219387796 568490957 /nfs/dbraw/zinc/49/09/57/568490957.db2.gz BHASRBBGJLXPTO-UYAOXDASSA-N 0 0 419.974 5.638 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219387885 568490926 /nfs/dbraw/zinc/49/09/26/568490926.db2.gz BHASRBBGJLXPTO-QUCCMNQESA-N 0 0 419.974 5.638 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219387964 568490962 /nfs/dbraw/zinc/49/09/62/568490962.db2.gz BHASRBBGJLXPTO-AZUAARDMSA-N 0 0 419.974 5.638 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219388032 568490938 /nfs/dbraw/zinc/49/09/38/568490938.db2.gz BHASRBBGJLXPTO-ICSRJNTNSA-N 0 0 419.974 5.638 40 0 HKABRN CC[C@@H](NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000219389163 568490939 /nfs/dbraw/zinc/49/09/39/568490939.db2.gz BSVLLARNLFEOSG-YLJYHZDGSA-N 0 0 407.963 5.495 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000219389242 568490904 /nfs/dbraw/zinc/49/09/04/568490904.db2.gz BSVLLARNLFEOSG-FXAWDEMLSA-N 0 0 407.963 5.495 40 0 HKABRN CC[C@@H](NC(=O)[C@H](CC)Sc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000219389319 568490912 /nfs/dbraw/zinc/49/09/12/568490912.db2.gz BSVLLARNLFEOSG-XLIONFOSSA-N 0 0 407.963 5.495 40 0 HKABRN CC[C@H](NC(=O)[C@H](CC)Sc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000219389385 568490942 /nfs/dbraw/zinc/49/09/42/568490942.db2.gz BSVLLARNLFEOSG-PXNSSMCTSA-N 0 0 407.963 5.495 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219390559 568491066 /nfs/dbraw/zinc/49/10/66/568491066.db2.gz CLSGNDANHHWNFC-MRXNPFEDSA-N 0 0 422.337 5.231 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219390622 568491060 /nfs/dbraw/zinc/49/10/60/568491060.db2.gz CLSGNDANHHWNFC-INIZCTEOSA-N 0 0 422.337 5.231 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000219390888 568491078 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CCCCc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000219420504 568491722 /nfs/dbraw/zinc/49/17/22/568491722.db2.gz NNFOWJXBJLUHPQ-UHFFFAOYSA-N 0 0 419.396 6.187 40 0 HKABRN O=C(CCCN1c2cccc3cccc(c23)C1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000219452950 568492830 /nfs/dbraw/zinc/49/28/30/568492830.db2.gz ONZISHKXPWRBIP-UHFFFAOYSA-N 0 0 422.484 6.011 40 0 HKABRN O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCSc1ccc(Cl)cc1 ZINC000219455140 568492880 /nfs/dbraw/zinc/49/28/80/568492880.db2.gz VNYMHCDEVQRAFG-UHFFFAOYSA-N 0 0 424.953 5.142 40 0 HKABRN O=C(CCCN1C(=O)c2cccc3cccc1c23)NCc1ccc(Cl)cc1Cl ZINC000219455800 568492841 /nfs/dbraw/zinc/49/28/41/568492841.db2.gz KRHPEWFYFJVMIY-UHFFFAOYSA-N 0 0 413.304 5.203 40 0 HKABRN O=C(CCCN1c2cccc3cccc(c23)C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000219458096 568492881 /nfs/dbraw/zinc/49/28/81/568492881.db2.gz BVJUJTADZIHIBD-UHFFFAOYSA-N 0 0 412.533 5.062 40 0 HKABRN O=C(CCCN1c2cccc3cccc(c23)C1=O)Nc1ccccc1Oc1ccccc1 ZINC000219463649 568493337 /nfs/dbraw/zinc/49/33/37/568493337.db2.gz VEKFNOVPHQBTKR-UHFFFAOYSA-N 0 0 422.484 6.011 40 0 HKABRN O=C(CCCN1c2cccc3cccc(c23)C1=O)NC(c1ccccc1)c1ccccc1 ZINC000219464635 568493364 /nfs/dbraw/zinc/49/33/64/568493364.db2.gz CIRUERLRHCPDOB-UHFFFAOYSA-N 0 0 420.512 5.486 40 0 HKABRN C[C@@H](NC(=O)CCCN1c2cccc3cccc(c23)C1=O)c1ccc(C(C)(C)C)cc1 ZINC000219466119 568493370 /nfs/dbraw/zinc/49/33/70/568493370.db2.gz DNSOHCUWDUQCLU-GOSISDBHSA-N 0 0 414.549 5.755 40 0 HKABRN C[C@H](NC(=O)CCCN1c2cccc3cccc(c23)C1=O)c1ccc(C(C)(C)C)cc1 ZINC000219466188 568493369 /nfs/dbraw/zinc/49/33/69/568493369.db2.gz DNSOHCUWDUQCLU-SFHVURJKSA-N 0 0 414.549 5.755 40 0 HKABRN O=C(CCCN1c2cccc3cccc(c23)C1=O)Nc1ccc(OC2CCCC2)cc1 ZINC000219469100 568493459 /nfs/dbraw/zinc/49/34/59/568493459.db2.gz VYFHSTKQSQHWPD-UHFFFAOYSA-N 0 0 414.505 5.540 40 0 HKABRN CC(C)C[C@@H](NC(=O)CCCN1c2cccc3cccc(c23)C1=O)c1ccccc1 ZINC000219471063 568493379 /nfs/dbraw/zinc/49/33/79/568493379.db2.gz LXZXJNAKSKGDMG-JOCHJYFZSA-N 0 0 400.522 5.484 40 0 HKABRN CC(C)C[C@H](NC(=O)CCCN1c2cccc3cccc(c23)C1=O)c1ccccc1 ZINC000219471154 568493447 /nfs/dbraw/zinc/49/34/47/568493447.db2.gz LXZXJNAKSKGDMG-QFIPXVFZSA-N 0 0 400.522 5.484 40 0 HKABRN CC[C@@H](NC(=O)CCCN1c2cccc3cccc(c23)C1=O)c1ccc(C)c(C)c1 ZINC000219473402 568493381 /nfs/dbraw/zinc/49/33/81/568493381.db2.gz CVKTZAYYHXCGBK-JOCHJYFZSA-N 0 0 400.522 5.465 40 0 HKABRN CC[C@H](NC(=O)CCCN1c2cccc3cccc(c23)C1=O)c1ccc(C)c(C)c1 ZINC000219473475 568493453 /nfs/dbraw/zinc/49/34/53/568493453.db2.gz CVKTZAYYHXCGBK-QFIPXVFZSA-N 0 0 400.522 5.465 40 0 HKABRN CC[C@@H](NC(=O)CCCN1c2cccc3cccc(c23)C1=O)c1ccc(C)cc1C ZINC000219473576 568493383 /nfs/dbraw/zinc/49/33/83/568493383.db2.gz OREYQQQOJZSEJC-JOCHJYFZSA-N 0 0 400.522 5.465 40 0 HKABRN CC[C@H](NC(=O)CCCN1c2cccc3cccc(c23)C1=O)c1ccc(C)cc1C ZINC000219473647 568493417 /nfs/dbraw/zinc/49/34/17/568493417.db2.gz OREYQQQOJZSEJC-QFIPXVFZSA-N 0 0 400.522 5.465 40 0 HKABRN CC(C)c1ccc(CCCNC(=O)CCCN2c3cccc4cccc(c34)C2=O)cc1 ZINC000219475242 568493407 /nfs/dbraw/zinc/49/34/07/568493407.db2.gz UQLVOQCGAKRAMH-UHFFFAOYSA-N 0 0 414.549 5.453 40 0 HKABRN CC(C)Sc1ccccc1C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000219659815 568496712 /nfs/dbraw/zinc/49/67/12/568496712.db2.gz WTCCILLSZYDAIB-UHFFFAOYSA-N 0 0 401.919 5.163 40 0 HKABRN CC(C)Sc1ccccc1C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000219659908 568496743 /nfs/dbraw/zinc/49/67/43/568496743.db2.gz UTGKFJMRRKVZFW-UHFFFAOYSA-N 0 0 401.919 5.163 40 0 HKABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000219674197 568496976 /nfs/dbraw/zinc/49/69/76/568496976.db2.gz DKOHWUOSIYQAKS-GOSISDBHSA-N 0 0 424.338 5.445 40 0 HKABRN C[C@H](Oc1ccc(Br)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000219674259 568496952 /nfs/dbraw/zinc/49/69/52/568496952.db2.gz DKOHWUOSIYQAKS-SFHVURJKSA-N 0 0 424.338 5.445 40 0 HKABRN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc(C(C)(C)C)cc1 ZINC000219680906 568497036 /nfs/dbraw/zinc/49/70/36/568497036.db2.gz INRCXTOYQFPIOD-HUUCEWRRSA-N 0 0 404.348 5.391 40 0 HKABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000219680977 568497112 /nfs/dbraw/zinc/49/71/12/568497112.db2.gz INRCXTOYQFPIOD-LSDHHAIUSA-N 0 0 404.348 5.391 40 0 HKABRN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc(C(C)(C)C)cc1 ZINC000219681052 568497116 /nfs/dbraw/zinc/49/71/16/568497116.db2.gz INRCXTOYQFPIOD-CABCVRRESA-N 0 0 404.348 5.391 40 0 HKABRN C[C@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc(C(C)(C)C)cc1 ZINC000219681126 568497068 /nfs/dbraw/zinc/49/70/68/568497068.db2.gz INRCXTOYQFPIOD-GJZGRUSLSA-N 0 0 404.348 5.391 40 0 HKABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000219684174 568497114 /nfs/dbraw/zinc/49/71/14/568497114.db2.gz LIQZAVHXDGGWDR-OAHLLOKOSA-N 0 0 424.294 5.086 40 0 HKABRN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000219684247 568497033 /nfs/dbraw/zinc/49/70/33/568497033.db2.gz LIQZAVHXDGGWDR-HNNXBMFYSA-N 0 0 424.294 5.086 40 0 HKABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000219684702 568497096 /nfs/dbraw/zinc/49/70/96/568497096.db2.gz MUCOCDYHUOREBQ-CQSZACIVSA-N 0 0 404.304 5.177 40 0 HKABRN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000219684780 568497092 /nfs/dbraw/zinc/49/70/92/568497092.db2.gz MUCOCDYHUOREBQ-AWEZNQCLSA-N 0 0 404.304 5.177 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 ZINC000219686097 568497162 /nfs/dbraw/zinc/49/71/62/568497162.db2.gz FNEOXNGXXKYCLA-FOIQADDNSA-N 0 0 420.347 5.129 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 ZINC000219686168 568497213 /nfs/dbraw/zinc/49/72/13/568497213.db2.gz FNEOXNGXXKYCLA-QRWLVFNGSA-N 0 0 420.347 5.129 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 ZINC000219686240 568497188 /nfs/dbraw/zinc/49/71/88/568497188.db2.gz FNEOXNGXXKYCLA-MGPUTAFESA-N 0 0 420.347 5.129 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 ZINC000219686316 568497159 /nfs/dbraw/zinc/49/71/59/568497159.db2.gz FNEOXNGXXKYCLA-YWZLYKJASA-N 0 0 420.347 5.129 40 0 HKABRN CC(C)c1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 ZINC000219692087 568497211 /nfs/dbraw/zinc/49/72/11/568497211.db2.gz SYXHUWSEBURSCU-MRXNPFEDSA-N 0 0 404.348 5.089 40 0 HKABRN CC(C)c1ccc(CCCNC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 ZINC000219692163 568497143 /nfs/dbraw/zinc/49/71/43/568497143.db2.gz SYXHUWSEBURSCU-INIZCTEOSA-N 0 0 404.348 5.089 40 0 HKABRN CCOC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219761111 568498237 /nfs/dbraw/zinc/49/82/37/568498237.db2.gz ZXRSDISLNUEKEQ-UHFFFAOYSA-N 0 0 409.869 5.348 40 0 HKABRN Cc1ccc(SCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000219761491 568498194 /nfs/dbraw/zinc/49/81/94/568498194.db2.gz PKMOEZMINCTWHR-UHFFFAOYSA-N 0 0 411.954 5.750 40 0 HKABRN O=C(NCCSCc1ccccc1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219761722 568498226 /nfs/dbraw/zinc/49/82/26/568498226.db2.gz SESGIJLIPXKUCD-UHFFFAOYSA-N 0 0 411.954 5.582 40 0 HKABRN O=C(NCc1ccc(Cl)cc1Cl)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219762233 568498214 /nfs/dbraw/zinc/49/82/14/568498214.db2.gz ZJUXJRKUCUGFFB-UHFFFAOYSA-N 0 0 420.723 6.156 40 0 HKABRN O=C(c1cc(Cl)ccc1OCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000219763250 568498208 /nfs/dbraw/zinc/49/82/08/568498208.db2.gz RPJAQIOSIUGSCW-UHFFFAOYSA-N 0 0 424.903 5.021 40 0 HKABRN O=C(c1cc(Cl)ccc1OCc1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000219763355 568498349 /nfs/dbraw/zinc/49/83/49/568498349.db2.gz NAZXCVAGOKEOAO-UHFFFAOYSA-N 0 0 424.903 5.021 40 0 HKABRN COC(=O)c1ccc(C)c(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000219763570 568498317 /nfs/dbraw/zinc/49/83/17/568498317.db2.gz PEHMZTVPFBQIBJ-UHFFFAOYSA-N 0 0 409.869 5.266 40 0 HKABRN O=C(NCCSCc1ccco1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219763664 568498328 /nfs/dbraw/zinc/49/83/28/568498328.db2.gz YHTPUJYENYUVGR-UHFFFAOYSA-N 0 0 401.915 5.175 40 0 HKABRN O=C(NCCSC1CCCCC1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219763948 568498312 /nfs/dbraw/zinc/49/83/12/568498312.db2.gz CKUYYGRIGJYBLF-UHFFFAOYSA-N 0 0 403.975 5.715 40 0 HKABRN CC(C)NC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219764157 568498321 /nfs/dbraw/zinc/49/83/21/568498321.db2.gz SAWWGMOIDHSHQN-UHFFFAOYSA-N 0 0 422.912 5.310 40 0 HKABRN COC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1C ZINC000219765059 568498326 /nfs/dbraw/zinc/49/83/26/568498326.db2.gz LYAFZJUKQAHTPX-UHFFFAOYSA-N 0 0 409.869 5.266 40 0 HKABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219765421 568498301 /nfs/dbraw/zinc/49/83/01/568498301.db2.gz PNWDDBFJNMQSDE-UHFFFAOYSA-N 0 0 405.803 6.190 40 0 HKABRN CCCNC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219766051 568498316 /nfs/dbraw/zinc/49/83/16/568498316.db2.gz IYZRHDOMBZKGTQ-UHFFFAOYSA-N 0 0 422.912 5.311 40 0 HKABRN CC(C)Oc1cccc(CNC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000219767707 568498332 /nfs/dbraw/zinc/49/83/32/568498332.db2.gz SGEPNKVGYRQWKZ-UHFFFAOYSA-N 0 0 409.913 5.636 40 0 HKABRN C[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000219768288 568498313 /nfs/dbraw/zinc/49/83/13/568498313.db2.gz KCIBCVQZHWHERJ-GOSISDBHSA-N 0 0 421.968 6.708 40 0 HKABRN C[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000219768368 568498331 /nfs/dbraw/zinc/49/83/31/568498331.db2.gz KCIBCVQZHWHERJ-SFHVURJKSA-N 0 0 421.968 6.708 40 0 HKABRN O=C(NCCCc1ccccc1Cl)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219768455 568498355 /nfs/dbraw/zinc/49/83/55/568498355.db2.gz JOSSMUHNHGSTQG-UHFFFAOYSA-N 0 0 414.332 5.935 40 0 HKABRN O=C(NCCCc1ccc(Cl)cc1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219768542 568498335 /nfs/dbraw/zinc/49/83/35/568498335.db2.gz NBXZWMBYXZNAIO-UHFFFAOYSA-N 0 0 414.332 5.935 40 0 HKABRN COc1ccccc1CCCNC(=O)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219768744 568498333 /nfs/dbraw/zinc/49/83/33/568498333.db2.gz HFZQCGKDJHBSBL-UHFFFAOYSA-N 0 0 409.913 5.290 40 0 HKABRN COc1cccc(CCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000219768846 568498298 /nfs/dbraw/zinc/49/82/98/568498298.db2.gz KAJUROFJNINSDK-UHFFFAOYSA-N 0 0 409.913 5.290 40 0 HKABRN COc1ccc(CCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000219768944 568498339 /nfs/dbraw/zinc/49/83/39/568498339.db2.gz HDNDVCYGVXPNTF-UHFFFAOYSA-N 0 0 409.913 5.290 40 0 HKABRN CCOc1ccccc1CCCNC(=O)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219769615 568498303 /nfs/dbraw/zinc/49/83/03/568498303.db2.gz INHPGWUACDDUHN-UHFFFAOYSA-N 0 0 423.940 5.680 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000219770020 568498319 /nfs/dbraw/zinc/49/83/19/568498319.db2.gz VNWRNZZEJJLVPT-UHFFFAOYSA-N 0 0 409.869 5.348 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1C ZINC000219770121 568498327 /nfs/dbraw/zinc/49/83/27/568498327.db2.gz MVNYFQHBOLZTSS-UHFFFAOYSA-N 0 0 423.896 5.656 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000219770206 568498323 /nfs/dbraw/zinc/49/83/23/568498323.db2.gz WDEPDTVDGSAXCW-UHFFFAOYSA-N 0 0 423.896 5.656 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c(C)c1 ZINC000219770297 568498337 /nfs/dbraw/zinc/49/83/37/568498337.db2.gz KHYLGWBFBNLXBF-UHFFFAOYSA-N 0 0 423.896 5.656 40 0 HKABRN O=C(Nc1ccc(OC2CCCC2)cc1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219771071 568498357 /nfs/dbraw/zinc/49/83/57/568498357.db2.gz DUGLGVCKQJTBDL-UHFFFAOYSA-N 0 0 421.924 6.493 40 0 HKABRN CC1(C)C[C@@H](NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c2ccccc2O1 ZINC000219771258 568498297 /nfs/dbraw/zinc/49/82/97/568498297.db2.gz XAHHZBICJJGFTP-OAQYLSRUSA-N 0 0 421.924 5.951 40 0 HKABRN CC1(C)C[C@H](NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c2ccccc2O1 ZINC000219771339 568498307 /nfs/dbraw/zinc/49/83/07/568498307.db2.gz XAHHZBICJJGFTP-NRFANRHFSA-N 0 0 421.924 5.951 40 0 HKABRN CC(C)Oc1ccc(CNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000219771643 568498324 /nfs/dbraw/zinc/49/83/24/568498324.db2.gz DCCCTWCJPQIQOH-UHFFFAOYSA-N 0 0 409.913 5.636 40 0 HKABRN CC[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(OC)cc1 ZINC000219772781 568498306 /nfs/dbraw/zinc/49/83/06/568498306.db2.gz SDIUUWVYZBVTSD-JOCHJYFZSA-N 0 0 409.913 5.809 40 0 HKABRN CC[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(OC)cc1 ZINC000219772857 568498329 /nfs/dbraw/zinc/49/83/29/568498329.db2.gz SDIUUWVYZBVTSD-QFIPXVFZSA-N 0 0 409.913 5.809 40 0 HKABRN CC(C)C[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccccc1 ZINC000219772947 568498314 /nfs/dbraw/zinc/49/83/14/568498314.db2.gz YMKVFLXPJJRLRC-HSZRJFAPSA-N 0 0 407.941 6.436 40 0 HKABRN CC(C)C[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccccc1 ZINC000219773016 568498443 /nfs/dbraw/zinc/49/84/43/568498443.db2.gz YMKVFLXPJJRLRC-QHCPKHFHSA-N 0 0 407.941 6.436 40 0 HKABRN O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219773282 568498456 /nfs/dbraw/zinc/49/84/56/568498456.db2.gz SLMMYBCKSBCUMA-UHFFFAOYSA-N 0 0 420.896 5.298 40 0 HKABRN CCOc1ccc(CCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000219773664 568498505 /nfs/dbraw/zinc/49/85/05/568498505.db2.gz JETBGRWMLYQZJV-UHFFFAOYSA-N 0 0 423.940 5.680 40 0 HKABRN Cc1ccccc1OC[C@@H](C)NC(=O)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219773932 568498440 /nfs/dbraw/zinc/49/84/40/568498440.db2.gz MUZADDPRESIYEG-GOSISDBHSA-N 0 0 409.913 5.425 40 0 HKABRN Cc1ccccc1OC[C@H](C)NC(=O)c1cc(Cl)ccc1OCc1ccccc1 ZINC000219773998 568498451 /nfs/dbraw/zinc/49/84/51/568498451.db2.gz MUZADDPRESIYEG-SFHVURJKSA-N 0 0 409.913 5.425 40 0 HKABRN Cc1ccc(OC[C@@H](C)NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000219774102 568498455 /nfs/dbraw/zinc/49/84/55/568498455.db2.gz VTAQCABHPWLONB-GOSISDBHSA-N 0 0 409.913 5.425 40 0 HKABRN Cc1ccc(OC[C@H](C)NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000219774184 568498471 /nfs/dbraw/zinc/49/84/71/568498471.db2.gz VTAQCABHPWLONB-SFHVURJKSA-N 0 0 409.913 5.425 40 0 HKABRN CC[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(C)c(C)c1 ZINC000219774820 568498435 /nfs/dbraw/zinc/49/84/35/568498435.db2.gz UVTQJMXHSRQQIY-HSZRJFAPSA-N 0 0 407.941 6.417 40 0 HKABRN CC[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(C)c(C)c1 ZINC000219774886 568498437 /nfs/dbraw/zinc/49/84/37/568498437.db2.gz UVTQJMXHSRQQIY-QHCPKHFHSA-N 0 0 407.941 6.417 40 0 HKABRN CC[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(C)cc1C ZINC000219774982 568498454 /nfs/dbraw/zinc/49/84/54/568498454.db2.gz ZAVKSWGNNYXBCO-HSZRJFAPSA-N 0 0 407.941 6.417 40 0 HKABRN CC[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(C)cc1C ZINC000219775061 568498458 /nfs/dbraw/zinc/49/84/58/568498458.db2.gz ZAVKSWGNNYXBCO-QHCPKHFHSA-N 0 0 407.941 6.417 40 0 HKABRN CC(C)c1ccc(CCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000219775838 568498441 /nfs/dbraw/zinc/49/84/41/568498441.db2.gz DWEAYRSEOKBGDA-UHFFFAOYSA-N 0 0 421.968 6.405 40 0 HKABRN CN(CCCNC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccccc1 ZINC000219775932 568498445 /nfs/dbraw/zinc/49/84/45/568498445.db2.gz GELQBSYXXZQCEA-UHFFFAOYSA-N 0 0 408.929 5.175 40 0 HKABRN C[Si](C)(C)c1c(Cl)c(I)cc(C(F)(F)F)c1Cl ZINC000219794341 568498576 /nfs/dbraw/zinc/49/85/76/568498576.db2.gz XVWBOHNGIZKQBS-UHFFFAOYSA-N 0 0 413.080 5.162 40 0 HKABRN CCOC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000219836765 568498970 /nfs/dbraw/zinc/49/89/70/568498970.db2.gz BKDDZEGHRIDJDK-UHFFFAOYSA-N 0 0 409.869 5.348 40 0 HKABRN Cc1ccc(SCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000219837177 568498969 /nfs/dbraw/zinc/49/89/69/568498969.db2.gz JLJNCSHZEIZRKT-UHFFFAOYSA-N 0 0 411.954 5.750 40 0 HKABRN O=C(NCCSCc1ccccc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000219837352 568498939 /nfs/dbraw/zinc/49/89/39/568498939.db2.gz YVBQFZAVWCZGMX-UHFFFAOYSA-N 0 0 411.954 5.582 40 0 HKABRN O=C(NCc1ccc(Cl)cc1Cl)c1cccc(OCc2ccccc2Cl)c1 ZINC000219837757 568498941 /nfs/dbraw/zinc/49/89/41/568498941.db2.gz OFUNKRVIURUISO-UHFFFAOYSA-N 0 0 420.723 6.156 40 0 HKABRN COC(=O)c1ccc(C)c(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 ZINC000219838188 568498949 /nfs/dbraw/zinc/49/89/49/568498949.db2.gz INTHYFLNNXKXPL-UHFFFAOYSA-N 0 0 409.869 5.266 40 0 HKABRN O=C(NCCSCc1ccco1)c1cccc(OCc2ccccc2Cl)c1 ZINC000219838268 568498959 /nfs/dbraw/zinc/49/89/59/568498959.db2.gz AHANLASZPBAKPW-UHFFFAOYSA-N 0 0 401.915 5.175 40 0 HKABRN O=C(NCCSC1CCCCC1)c1cccc(OCc2ccccc2Cl)c1 ZINC000219838564 568498931 /nfs/dbraw/zinc/49/89/31/568498931.db2.gz FCYIBCAHPMOSGL-UHFFFAOYSA-N 0 0 403.975 5.715 40 0 HKABRN CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000219838790 568498946 /nfs/dbraw/zinc/49/89/46/568498946.db2.gz DXHOAINOVKNTCU-UHFFFAOYSA-N 0 0 422.912 5.310 40 0 HKABRN COC(=O)c1cccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1C ZINC000219839341 568498944 /nfs/dbraw/zinc/49/89/44/568498944.db2.gz AWRXIULFAJALLE-UHFFFAOYSA-N 0 0 409.869 5.266 40 0 HKABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000219839583 568498940 /nfs/dbraw/zinc/49/89/40/568498940.db2.gz BODTVEDWYPCHLG-UHFFFAOYSA-N 0 0 405.803 6.190 40 0 HKABRN CCCNC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000219839967 568498965 /nfs/dbraw/zinc/49/89/65/568498965.db2.gz VOEZEUMUWHQNKY-UHFFFAOYSA-N 0 0 422.912 5.311 40 0 HKABRN CC(C)Oc1cccc(CNC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 ZINC000219841934 568498958 /nfs/dbraw/zinc/49/89/58/568498958.db2.gz CQUDQPZLUTYFEF-UHFFFAOYSA-N 0 0 409.913 5.636 40 0 HKABRN C[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(C(C)(C)C)cc1 ZINC000219842357 568498955 /nfs/dbraw/zinc/49/89/55/568498955.db2.gz LJTNLNJHUPLDPD-GOSISDBHSA-N 0 0 421.968 6.708 40 0 HKABRN C[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(C(C)(C)C)cc1 ZINC000219842408 568498972 /nfs/dbraw/zinc/49/89/72/568498972.db2.gz LJTNLNJHUPLDPD-SFHVURJKSA-N 0 0 421.968 6.708 40 0 HKABRN O=C(NCCCc1ccccc1Cl)c1cccc(OCc2ccccc2Cl)c1 ZINC000219842479 568498961 /nfs/dbraw/zinc/49/89/61/568498961.db2.gz SSDPKBCXOWYJBB-UHFFFAOYSA-N 0 0 414.332 5.935 40 0 HKABRN O=C(NCCCc1ccc(Cl)cc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000219842565 568498968 /nfs/dbraw/zinc/49/89/68/568498968.db2.gz YRSDNNSWZBSWPW-UHFFFAOYSA-N 0 0 414.332 5.935 40 0 HKABRN COc1ccccc1CCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000219842724 568498924 /nfs/dbraw/zinc/49/89/24/568498924.db2.gz IJQYGCHTUZMWHM-UHFFFAOYSA-N 0 0 409.913 5.290 40 0 HKABRN COc1cccc(CCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 ZINC000219842813 568498938 /nfs/dbraw/zinc/49/89/38/568498938.db2.gz RHCHVRLZNIXXQT-UHFFFAOYSA-N 0 0 409.913 5.290 40 0 HKABRN COc1ccc(CCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000219842881 568498951 /nfs/dbraw/zinc/49/89/51/568498951.db2.gz OZRVQIYVYJLENN-UHFFFAOYSA-N 0 0 409.913 5.290 40 0 HKABRN CCOc1ccccc1CCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000219843376 568498956 /nfs/dbraw/zinc/49/89/56/568498956.db2.gz PZYDDUORFWANHQ-UHFFFAOYSA-N 0 0 423.940 5.680 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 ZINC000219843639 568498962 /nfs/dbraw/zinc/49/89/62/568498962.db2.gz BTAOBLJYQGMFIB-UHFFFAOYSA-N 0 0 409.869 5.348 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1C ZINC000219843704 568498943 /nfs/dbraw/zinc/49/89/43/568498943.db2.gz KPUXILCVVPWLGT-UHFFFAOYSA-N 0 0 423.896 5.656 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 ZINC000219843773 568498964 /nfs/dbraw/zinc/49/89/64/568498964.db2.gz SGJLIMULPMFFLT-UHFFFAOYSA-N 0 0 423.896 5.656 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c(C)c1 ZINC000219843837 568498923 /nfs/dbraw/zinc/49/89/23/568498923.db2.gz RWASQCNKUKBGJO-UHFFFAOYSA-N 0 0 423.896 5.656 40 0 HKABRN O=C(Nc1ccc(OC2CCCC2)cc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000219844405 568499078 /nfs/dbraw/zinc/49/90/78/568499078.db2.gz DEJFXHDEHXQHIY-UHFFFAOYSA-N 0 0 421.924 6.493 40 0 HKABRN CC1(C)C[C@@H](NC(=O)c2cccc(OCc3ccccc3Cl)c2)c2ccccc2O1 ZINC000219844540 568499076 /nfs/dbraw/zinc/49/90/76/568499076.db2.gz TZUVMHQOLVCPJT-JOCHJYFZSA-N 0 0 421.924 5.951 40 0 HKABRN CC1(C)C[C@H](NC(=O)c2cccc(OCc3ccccc3Cl)c2)c2ccccc2O1 ZINC000219844584 568499073 /nfs/dbraw/zinc/49/90/73/568499073.db2.gz TZUVMHQOLVCPJT-QFIPXVFZSA-N 0 0 421.924 5.951 40 0 HKABRN CC(C)Oc1ccc(CNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000219844799 568499077 /nfs/dbraw/zinc/49/90/77/568499077.db2.gz HFODVHXSTCOVKE-UHFFFAOYSA-N 0 0 409.913 5.636 40 0 HKABRN CC[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(OC)cc1 ZINC000219845631 568499090 /nfs/dbraw/zinc/49/90/90/568499090.db2.gz ABURQKIGLQTVGZ-HSZRJFAPSA-N 0 0 409.913 5.809 40 0 HKABRN CC[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(OC)cc1 ZINC000219845679 568499091 /nfs/dbraw/zinc/49/90/91/568499091.db2.gz ABURQKIGLQTVGZ-QHCPKHFHSA-N 0 0 409.913 5.809 40 0 HKABRN CC(C)C[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccccc1 ZINC000219845753 568499095 /nfs/dbraw/zinc/49/90/95/568499095.db2.gz AWXKPCDRNGPHIK-XMMPIXPASA-N 0 0 407.941 6.436 40 0 HKABRN CC(C)C[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccccc1 ZINC000219845811 568499104 /nfs/dbraw/zinc/49/91/04/568499104.db2.gz AWXKPCDRNGPHIK-DEOSSOPVSA-N 0 0 407.941 6.436 40 0 HKABRN O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000219846011 568499094 /nfs/dbraw/zinc/49/90/94/568499094.db2.gz VZTZULWPCCBXBD-UHFFFAOYSA-N 0 0 420.896 5.298 40 0 HKABRN CCOc1ccc(CCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000219846300 568499069 /nfs/dbraw/zinc/49/90/69/568499069.db2.gz LAWCLYCBHMZFJV-UHFFFAOYSA-N 0 0 423.940 5.680 40 0 HKABRN Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000219846505 568499023 /nfs/dbraw/zinc/49/90/23/568499023.db2.gz GFFIJEBVWZLYBQ-GOSISDBHSA-N 0 0 409.913 5.425 40 0 HKABRN Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000219846557 568499033 /nfs/dbraw/zinc/49/90/33/568499033.db2.gz GFFIJEBVWZLYBQ-SFHVURJKSA-N 0 0 409.913 5.425 40 0 HKABRN Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000219846633 568499101 /nfs/dbraw/zinc/49/91/01/568499101.db2.gz VTAQPVFLWJYIPL-GOSISDBHSA-N 0 0 409.913 5.425 40 0 HKABRN Cc1ccc(OC[C@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000219846677 568499084 /nfs/dbraw/zinc/49/90/84/568499084.db2.gz VTAQPVFLWJYIPL-SFHVURJKSA-N 0 0 409.913 5.425 40 0 HKABRN CC[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(C)c(C)c1 ZINC000219847105 568499072 /nfs/dbraw/zinc/49/90/72/568499072.db2.gz VBKSDTRHNAFUCA-XMMPIXPASA-N 0 0 407.941 6.417 40 0 HKABRN CC[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(C)c(C)c1 ZINC000219847157 568499047 /nfs/dbraw/zinc/49/90/47/568499047.db2.gz VBKSDTRHNAFUCA-DEOSSOPVSA-N 0 0 407.941 6.417 40 0 HKABRN CC[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(C)cc1C ZINC000219847228 568499057 /nfs/dbraw/zinc/49/90/57/568499057.db2.gz RHKJPNRQGHKPPY-XMMPIXPASA-N 0 0 407.941 6.417 40 0 HKABRN CC[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(C)cc1C ZINC000219847275 568499037 /nfs/dbraw/zinc/49/90/37/568499037.db2.gz RHKJPNRQGHKPPY-DEOSSOPVSA-N 0 0 407.941 6.417 40 0 HKABRN CC(C)c1ccc(CCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000219847601 568499031 /nfs/dbraw/zinc/49/90/31/568499031.db2.gz HBOLCJCDTRKQNZ-UHFFFAOYSA-N 0 0 421.968 6.405 40 0 HKABRN CN(CCCNC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccccc1 ZINC000219847677 568499052 /nfs/dbraw/zinc/49/90/52/568499052.db2.gz HRCPEHODPLBTQZ-UHFFFAOYSA-N 0 0 408.929 5.175 40 0 HKABRN Cc1ccc(N2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000219853115 568499042 /nfs/dbraw/zinc/49/90/42/568499042.db2.gz DLSGBYYVIYLXDL-UHFFFAOYSA-N 0 0 400.522 5.429 40 0 HKABRN Cc1ccc(N2CCC(C(=O)Nc3ccc(CSc4ccccc4)cc3)CC2)cc1 ZINC000219853555 568499172 /nfs/dbraw/zinc/49/91/72/568499172.db2.gz OURKIFWMSQWTOY-UHFFFAOYSA-N 0 0 416.590 6.142 40 0 HKABRN Cc1ccc(N2CCC(C(=O)NCCSCc3c(F)cccc3Cl)CC2)cc1 ZINC000219854413 568499253 /nfs/dbraw/zinc/49/92/53/568499253.db2.gz BKYZPORPKQTIGJ-UHFFFAOYSA-N 0 0 420.981 5.054 40 0 HKABRN Cc1ccc(N2CCC(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)CC2)cc1 ZINC000219856857 568499237 /nfs/dbraw/zinc/49/92/37/568499237.db2.gz KEGVVGIVEVCGLW-UHFFFAOYSA-N 0 0 420.940 6.296 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)C3CCN(c4ccc(C)cc4)CC3)ccc21 ZINC000219859642 568499232 /nfs/dbraw/zinc/49/92/32/568499232.db2.gz QJEUANJAMKFEKM-UHFFFAOYSA-N 0 0 411.549 5.978 40 0 HKABRN O=C(CCc1ccccc1Cl)NCCSCc1ccc(Cl)cc1Cl ZINC000220012108 568501171 /nfs/dbraw/zinc/50/11/71/568501171.db2.gz YYVIQESXLGQZFP-UHFFFAOYSA-N 0 0 402.774 5.629 40 0 HKABRN O=C(CCc1ccccc1Cl)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000220012186 568501207 /nfs/dbraw/zinc/50/12/07/568501207.db2.gz YELDLZHHIWDLDM-UHFFFAOYSA-N 0 0 402.774 5.629 40 0 HKABRN O=C(CCc1ccccc1Cl)NCCSCc1c(Cl)cccc1Cl ZINC000220012625 568501237 /nfs/dbraw/zinc/50/12/37/568501237.db2.gz SBCDVVJEKPHQFS-UHFFFAOYSA-N 0 0 402.774 5.629 40 0 HKABRN CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCNC(=O)c1ccc(O)cc1 ZINC000222135408 568514382 /nfs/dbraw/zinc/51/43/82/568514382.db2.gz XCWBOAHOJHPWLA-CGRWFSSPSA-N 0 0 409.614 7.268 40 0 HKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000222269658 568514560 /nfs/dbraw/zinc/51/45/60/568514560.db2.gz HCNAIMNWEGFUMM-UHFFFAOYSA-N 0 0 411.760 5.237 40 0 HKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222403328 568515353 /nfs/dbraw/zinc/51/53/53/568515353.db2.gz ZQFXJURJMLLFNG-VWLOTQADSA-N 0 0 422.613 5.383 40 0 HKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222403397 568515379 /nfs/dbraw/zinc/51/53/79/568515379.db2.gz ZQFXJURJMLLFNG-RUZDIDTESA-N 0 0 422.613 5.383 40 0 HKABRN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000222420169 569284036 /nfs/dbraw/zinc/28/40/36/569284036.db2.gz ULNUUSRBFWWGNO-KKUMJFAQSA-N 0 0 423.504 5.433 40 0 HKABRN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000222420235 569284011 /nfs/dbraw/zinc/28/40/11/569284011.db2.gz ULNUUSRBFWWGNO-ZNMIVQPWSA-N 0 0 423.504 5.433 40 0 HKABRN CC(C)OCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 ZINC000222424774 568515556 /nfs/dbraw/zinc/51/55/56/568515556.db2.gz DDHDYFBHPANCQY-VDZGFBAESA-N 0 0 418.581 5.528 40 0 HKABRN CC(C)OCCCNC(=O)c1ccc2c(c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 ZINC000222424834 568515537 /nfs/dbraw/zinc/51/55/37/568515537.db2.gz DDHDYFBHPANCQY-SUYKCVEVSA-N 0 0 418.581 5.528 40 0 HKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222449999 568515996 /nfs/dbraw/zinc/51/59/96/568515996.db2.gz KFLOUBLBVFHAIB-VWLOTQADSA-N 0 0 422.613 5.383 40 0 HKABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222450060 568515986 /nfs/dbraw/zinc/51/59/86/568515986.db2.gz KFLOUBLBVFHAIB-RUZDIDTESA-N 0 0 422.613 5.383 40 0 HKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222497121 568516750 /nfs/dbraw/zinc/51/67/50/568516750.db2.gz IELKXDZFLOQHLD-VWLOTQADSA-N 0 0 422.613 5.383 40 0 HKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222497181 568516730 /nfs/dbraw/zinc/51/67/30/568516730.db2.gz IELKXDZFLOQHLD-RUZDIDTESA-N 0 0 422.613 5.383 40 0 HKABRN Cc1cccc(C(C)C)c1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 ZINC000222533246 568517484 /nfs/dbraw/zinc/51/74/84/568517484.db2.gz JYIOCIWGIHJAEA-UHFFFAOYSA-N 0 0 422.550 5.196 40 0 HKABRN CCCCc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 ZINC000222533642 568517479 /nfs/dbraw/zinc/51/74/79/568517479.db2.gz PPLKUCIOKNJYDJ-UHFFFAOYSA-N 0 0 422.550 5.107 40 0 HKABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1 ZINC000222540360 568517653 /nfs/dbraw/zinc/51/76/53/568517653.db2.gz DNNJYJAPHBAXNX-UHFFFAOYSA-N 0 0 422.550 5.196 40 0 HKABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccccc3C(C)C)c2)cc1 ZINC000222546042 568517972 /nfs/dbraw/zinc/51/79/72/568517972.db2.gz PZXGSWKDDLIYOR-UHFFFAOYSA-N 0 0 422.550 5.196 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C)c1ccccc1 ZINC000222546187 568517945 /nfs/dbraw/zinc/51/79/45/568517945.db2.gz NQVGBTFSSWOZIP-NCJDQSJGSA-N 0 0 404.535 5.095 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C)c1ccccc1 ZINC000222546709 568517953 /nfs/dbraw/zinc/51/79/53/568517953.db2.gz NQVGBTFSSWOZIP-YVUGPFRESA-N 0 0 404.535 5.095 40 0 HKABRN CCCSc1nnc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)s1 ZINC000222547122 568517946 /nfs/dbraw/zinc/51/79/46/568517946.db2.gz NGXHSMBPXWZPPN-UHFFFAOYSA-N 0 0 419.959 5.525 40 0 HKABRN CC(C)N(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)nc(Cl)n2C(C)C ZINC000222554701 568518131 /nfs/dbraw/zinc/51/81/31/568518131.db2.gz ZESPUURNYDIDBU-UHFFFAOYSA-N 0 0 409.921 5.198 40 0 HKABRN Cn1c(Cl)nc2cc(C(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)ccc21 ZINC000222554801 568518187 /nfs/dbraw/zinc/51/81/87/568518187.db2.gz YXMHKTMHRRDLJA-UHFFFAOYSA-N 0 0 400.265 5.070 40 0 HKABRN Cn1c(Cl)nc2ccc(C(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)cc21 ZINC000222554892 568518180 /nfs/dbraw/zinc/51/81/80/568518180.db2.gz QYAROGIAPBJKDD-UHFFFAOYSA-N 0 0 400.265 5.070 40 0 HKABRN CCn1c(Cl)nc2cc(C(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)ccc21 ZINC000222554982 568518121 /nfs/dbraw/zinc/51/81/21/568518121.db2.gz WPNXQOYSINIOAK-UHFFFAOYSA-N 0 0 414.292 5.553 40 0 HKABRN CC(C)n1c(Cl)nc2cc(C(=O)N(Cc3cccn3C)C3CCCCC3)ccc21 ZINC000222555421 568518170 /nfs/dbraw/zinc/51/81/70/568518170.db2.gz FYBPPYDWWSDAQR-UHFFFAOYSA-N 0 0 412.965 5.584 40 0 HKABRN CC(C)n1c(Cl)nc2cc(C(=O)N(Cc3cccn3C)Cc3ccccc3)ccc21 ZINC000222556181 568518158 /nfs/dbraw/zinc/51/81/58/568518158.db2.gz AUTSXCCWCKDGDA-UHFFFAOYSA-N 0 0 420.944 5.452 40 0 HKABRN Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000222559249 568518282 /nfs/dbraw/zinc/51/82/82/568518282.db2.gz OAXBLZVTHAKSAK-UHFFFAOYSA-N 0 0 415.880 6.150 40 0 HKABRN CC(C)n1c(Cl)nc2cc(C(=O)N(C)Cc3cccn3-c3ccccc3)ccc21 ZINC000222559411 568518261 /nfs/dbraw/zinc/51/82/61/568518261.db2.gz WRGHBTUTCJBFFZ-UHFFFAOYSA-N 0 0 406.917 5.334 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2OC(C)C)c1 ZINC000222560825 568518424 /nfs/dbraw/zinc/51/84/24/568518424.db2.gz HOXVTZIMVOFFNI-QNGOZBTKSA-N 0 0 420.534 5.253 40 0 HKABRN Cc1cc(CN(C(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)C(C)C)c(C)n1C ZINC000222561963 568518508 /nfs/dbraw/zinc/51/85/08/568518508.db2.gz OELXHYDBEXCOAN-UHFFFAOYSA-N 0 0 400.954 5.277 40 0 HKABRN CCn1c(Cl)nc2cc(C(=O)N(Cc3cc(C)n(C)c3C)C3CCCC3)ccc21 ZINC000222563901 568518503 /nfs/dbraw/zinc/51/85/03/568518503.db2.gz WBASSPLCQWIRLV-UHFFFAOYSA-N 0 0 412.965 5.250 40 0 HKABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 ZINC000222564381 568518486 /nfs/dbraw/zinc/51/84/86/568518486.db2.gz PIXKHMYUWUHNPK-NQERJWCQSA-N 0 0 423.626 5.972 40 0 HKABRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 ZINC000222564442 568518489 /nfs/dbraw/zinc/51/84/89/568518489.db2.gz PIXKHMYUWUHNPK-JHVJFLLYSA-N 0 0 423.626 5.972 40 0 HKABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 ZINC000222564510 568518485 /nfs/dbraw/zinc/51/84/85/568518485.db2.gz PIXKHMYUWUHNPK-LPTQZCDUSA-N 0 0 423.626 5.972 40 0 HKABRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 ZINC000222564572 568518635 /nfs/dbraw/zinc/51/86/35/568518635.db2.gz PIXKHMYUWUHNPK-RVHYNSKXSA-N 0 0 423.626 5.972 40 0 HKABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000222568139 568518622 /nfs/dbraw/zinc/51/86/22/568518622.db2.gz SNVCIPQZHOHZEE-GOSISDBHSA-N 0 0 420.553 5.034 40 0 HKABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000222568200 568518638 /nfs/dbraw/zinc/51/86/38/568518638.db2.gz SNVCIPQZHOHZEE-SFHVURJKSA-N 0 0 420.553 5.034 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000222569825 568518702 /nfs/dbraw/zinc/51/87/02/568518702.db2.gz ZQOGEDKWRSSWIR-UHFFFAOYSA-N 0 0 412.235 6.023 40 0 HKABRN COC(=O)c1cn(C(=O)c2ccc(CSc3ccccc3)cc2)c2ccccc12 ZINC000222569877 568518776 /nfs/dbraw/zinc/51/87/76/568518776.db2.gz YNPGUBKVLDLJOB-UHFFFAOYSA-N 0 0 401.487 5.409 40 0 HKABRN COC(=O)c1cn(C(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c2ccccc12 ZINC000222571621 568518688 /nfs/dbraw/zinc/51/86/88/568518688.db2.gz YXZJPDMCGPBAJQ-HMMYKYKNSA-N 0 0 415.876 5.962 40 0 HKABRN COC(=O)c1cn(C(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c2ccccc12 ZINC000222571797 568518886 /nfs/dbraw/zinc/51/88/86/568518886.db2.gz GQCFWUZMQJKTFK-CJLVFECKSA-N 0 0 411.457 5.318 40 0 HKABRN COC(=O)c1cn(C(=O)CSCc2c(Cl)cccc2Cl)c2ccccc12 ZINC000222572172 568518884 /nfs/dbraw/zinc/51/88/84/568518884.db2.gz LHZAVKABWLBUPC-UHFFFAOYSA-N 0 0 408.306 5.308 40 0 HKABRN COC(=O)c1cn(C(=O)c2ccc(CSc3ccc(C)cc3)cc2)c2ccccc12 ZINC000222572901 568518861 /nfs/dbraw/zinc/51/88/61/568518861.db2.gz QXABTTZLNGWTQM-UHFFFAOYSA-N 0 0 415.514 5.717 40 0 HKABRN COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC(C)C ZINC000222573701 568518853 /nfs/dbraw/zinc/51/88/53/568518853.db2.gz QPWATDBZBYZVIB-MJXNMMHHSA-N 0 0 417.962 5.120 40 0 HKABRN COc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC(C)C ZINC000222573761 568518880 /nfs/dbraw/zinc/51/88/80/568518880.db2.gz QPWATDBZBYZVIB-BKTGTZMESA-N 0 0 417.962 5.120 40 0 HKABRN COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC(C)C ZINC000222573824 568518869 /nfs/dbraw/zinc/51/88/69/568518869.db2.gz QPWATDBZBYZVIB-FASAQXTFSA-N 0 0 417.962 5.120 40 0 HKABRN COc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC(C)C ZINC000222573890 568518876 /nfs/dbraw/zinc/51/88/76/568518876.db2.gz QPWATDBZBYZVIB-AGRHKRQWSA-N 0 0 417.962 5.120 40 0 HKABRN COc1ccc(-c2nnc(NC(=O)c3ccccc3CCc3ccccc3)s2)cc1 ZINC000222574019 568518820 /nfs/dbraw/zinc/51/88/20/568518820.db2.gz SBTMSWAOCSFYCW-UHFFFAOYSA-N 0 0 415.518 5.251 40 0 HKABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000222574484 568518830 /nfs/dbraw/zinc/51/88/30/568518830.db2.gz GQFGIAJFKUJSHD-JCMHNJIXSA-N 0 0 420.534 5.290 40 0 HKABRN COc1ccc(-c2ncc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(C)n2)cc1 ZINC000222576562 568518988 /nfs/dbraw/zinc/51/89/88/568518988.db2.gz BCMCFZLEROTJDE-UHFFFAOYSA-N 0 0 421.806 5.385 40 0 HKABRN CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OCC ZINC000222577596 568519081 /nfs/dbraw/zinc/51/90/81/568519081.db2.gz XGYZBPHREDGDJU-MJXNMMHHSA-N 0 0 417.962 5.122 40 0 HKABRN CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OCC ZINC000222577657 568519094 /nfs/dbraw/zinc/51/90/94/568519094.db2.gz XGYZBPHREDGDJU-BKTGTZMESA-N 0 0 417.962 5.122 40 0 HKABRN CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OCC ZINC000222577721 568519120 /nfs/dbraw/zinc/51/91/20/568519120.db2.gz XGYZBPHREDGDJU-FASAQXTFSA-N 0 0 417.962 5.122 40 0 HKABRN CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OCC ZINC000222577789 568519118 /nfs/dbraw/zinc/51/91/18/568519118.db2.gz XGYZBPHREDGDJU-AGRHKRQWSA-N 0 0 417.962 5.122 40 0 HKABRN Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000222582312 568519226 /nfs/dbraw/zinc/51/92/26/568519226.db2.gz LAQKWJXQCNCKTK-UHFFFAOYSA-N 0 0 409.770 5.516 40 0 HKABRN Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000222582408 568519188 /nfs/dbraw/zinc/51/91/88/568519188.db2.gz GCVKMAXHFGSNAV-UHFFFAOYSA-N 0 0 409.770 5.516 40 0 HKABRN Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000222582958 568519187 /nfs/dbraw/zinc/51/91/87/568519187.db2.gz OHCUPCPGOCRBBA-UHFFFAOYSA-N 0 0 413.452 5.422 40 0 HKABRN Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccccc1Sc1ccccc1 ZINC000222585169 568519311 /nfs/dbraw/zinc/51/93/11/568519311.db2.gz AULNMRPBZZYKFE-UHFFFAOYSA-N 0 0 415.493 5.995 40 0 HKABRN CCc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000222589260 568519573 /nfs/dbraw/zinc/51/95/73/568519573.db2.gz QCFKDXIQDXYCBV-QGZVFWFLSA-N 0 0 409.982 6.686 40 0 HKABRN CCc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000222589318 568519558 /nfs/dbraw/zinc/51/95/58/568519558.db2.gz QCFKDXIQDXYCBV-KRWDZBQOSA-N 0 0 409.982 6.686 40 0 HKABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2nc3ccccc3s2)S1 ZINC000222592293 568519691 /nfs/dbraw/zinc/51/96/91/568519691.db2.gz LFOKVILYKKORGS-UAOJZALGSA-N 0 0 417.563 5.071 40 0 HKABRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2nc3ccccc3s2)S1 ZINC000222592360 568519660 /nfs/dbraw/zinc/51/96/60/568519660.db2.gz LFOKVILYKKORGS-GKCIPKSASA-N 0 0 417.563 5.071 40 0 HKABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2nc3ccccc3s2)S1 ZINC000222592422 568519669 /nfs/dbraw/zinc/51/96/69/568519669.db2.gz LFOKVILYKKORGS-XMCHAPAWSA-N 0 0 417.563 5.071 40 0 HKABRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2nc3ccccc3s2)S1 ZINC000222592478 568519721 /nfs/dbraw/zinc/51/97/21/568519721.db2.gz LFOKVILYKKORGS-KPOBHBOGSA-N 0 0 417.563 5.071 40 0 HKABRN Cc1ccc(SCCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000222594553 568519705 /nfs/dbraw/zinc/51/97/05/568519705.db2.gz ZRSXPWALGSRLFP-UHFFFAOYSA-N 0 0 401.582 5.260 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1OCC ZINC000222597978 568519866 /nfs/dbraw/zinc/51/98/66/568519866.db2.gz AXQWQKCKXFWILY-RTBURBONSA-N 0 0 413.558 5.561 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1OCC ZINC000222598037 568519986 /nfs/dbraw/zinc/51/99/86/568519986.db2.gz AXQWQKCKXFWILY-RBUKOAKNSA-N 0 0 413.558 5.561 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1OCC ZINC000222598099 568519990 /nfs/dbraw/zinc/51/99/90/568519990.db2.gz AXQWQKCKXFWILY-MOPGFXCFSA-N 0 0 413.558 5.561 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1OCC ZINC000222598169 568520022 /nfs/dbraw/zinc/52/00/22/568520022.db2.gz AXQWQKCKXFWILY-OALUTQOASA-N 0 0 413.558 5.561 40 0 HKABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)c(Cl)c2)S1 ZINC000222599289 568520008 /nfs/dbraw/zinc/52/00/08/568520008.db2.gz RCLDOPKBIPWPQT-CWVNLOTRSA-N 0 0 412.921 5.254 40 0 HKABRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)c(Cl)c2)S1 ZINC000222599353 568519969 /nfs/dbraw/zinc/51/99/69/568519969.db2.gz RCLDOPKBIPWPQT-MRFFXTKBSA-N 0 0 412.921 5.254 40 0 HKABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)c(Cl)c2)S1 ZINC000222599418 568520006 /nfs/dbraw/zinc/52/00/06/568520006.db2.gz RCLDOPKBIPWPQT-GBLZOACLSA-N 0 0 412.921 5.254 40 0 HKABRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)c(Cl)c2)S1 ZINC000222599487 568519953 /nfs/dbraw/zinc/51/99/53/568519953.db2.gz RCLDOPKBIPWPQT-SVIJTADQSA-N 0 0 412.921 5.254 40 0 HKABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)cc2)S1 ZINC000222605090 568520255 /nfs/dbraw/zinc/52/02/55/568520255.db2.gz IRJGNJVUWPYAHQ-XGRCMKMKSA-N 0 0 403.576 5.822 40 0 HKABRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)cc2)S1 ZINC000222605149 568520235 /nfs/dbraw/zinc/52/02/35/568520235.db2.gz IRJGNJVUWPYAHQ-SSKFGXFMSA-N 0 0 403.576 5.822 40 0 HKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000222605164 568520278 /nfs/dbraw/zinc/52/02/78/568520278.db2.gz UBBRLPUVVQBSTN-UHFFFAOYSA-N 0 0 412.198 5.722 40 0 HKABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)cc2)S1 ZINC000222605208 568520300 /nfs/dbraw/zinc/52/03/00/568520300.db2.gz IRJGNJVUWPYAHQ-HVETUWLQSA-N 0 0 403.576 5.822 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000222605238 568520310 /nfs/dbraw/zinc/52/03/10/568520310.db2.gz ZGLJBKVJKALHAB-UHFFFAOYSA-N 0 0 412.198 5.722 40 0 HKABRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)cc2)S1 ZINC000222605276 568520258 /nfs/dbraw/zinc/52/02/58/568520258.db2.gz IRJGNJVUWPYAHQ-USCONSEESA-N 0 0 403.576 5.822 40 0 HKABRN Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)cc2)cc1 ZINC000222605378 568520283 /nfs/dbraw/zinc/52/02/83/568520283.db2.gz QZBUKWUQEYPNKL-JJEOQYAHSA-N 0 0 417.603 6.131 40 0 HKABRN Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)cc2)cc1 ZINC000222605457 568520299 /nfs/dbraw/zinc/52/02/99/568520299.db2.gz QZBUKWUQEYPNKL-IMRHEYAYSA-N 0 0 417.603 6.131 40 0 HKABRN Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)cc2)cc1 ZINC000222605521 568520313 /nfs/dbraw/zinc/52/03/13/568520313.db2.gz QZBUKWUQEYPNKL-PDIWNELESA-N 0 0 417.603 6.131 40 0 HKABRN Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)cc2)cc1 ZINC000222605590 568520281 /nfs/dbraw/zinc/52/02/81/568520281.db2.gz QZBUKWUQEYPNKL-RTFZILSDSA-N 0 0 417.603 6.131 40 0 HKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000222605787 568520253 /nfs/dbraw/zinc/52/02/53/568520253.db2.gz ZUOVAQRYBURVGA-UHFFFAOYSA-N 0 0 415.880 5.628 40 0 HKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000222605895 568520271 /nfs/dbraw/zinc/52/02/71/568520271.db2.gz OKMRNRJDYJCAJN-UHFFFAOYSA-N 0 0 401.853 5.842 40 0 HKABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccccc2Sc2ccccc2)S1 ZINC000222605948 568520294 /nfs/dbraw/zinc/52/02/94/568520294.db2.gz BPSSCIFRCNXIPC-XGRCMKMKSA-N 0 0 403.576 5.822 40 0 HKABRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccccc2Sc2ccccc2)S1 ZINC000222606013 568520306 /nfs/dbraw/zinc/52/03/06/568520306.db2.gz BPSSCIFRCNXIPC-SSKFGXFMSA-N 0 0 403.576 5.822 40 0 HKABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccccc2Sc2ccccc2)S1 ZINC000222606079 568520376 /nfs/dbraw/zinc/52/03/76/568520376.db2.gz BPSSCIFRCNXIPC-HVETUWLQSA-N 0 0 403.576 5.822 40 0 HKABRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccccc2Sc2ccccc2)S1 ZINC000222606145 568520383 /nfs/dbraw/zinc/52/03/83/568520383.db2.gz BPSSCIFRCNXIPC-USCONSEESA-N 0 0 403.576 5.822 40 0 HKABRN O=C(Nc1ccccc1Sc1ccccc1)c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000222608198 568520438 /nfs/dbraw/zinc/52/04/38/568520438.db2.gz QLIYKOUVZBCOHR-UHFFFAOYSA-N 0 0 417.921 6.201 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1Cc1ccccc1 ZINC000222611108 568520582 /nfs/dbraw/zinc/52/05/82/568520582.db2.gz XUEQYDRPRPVQGM-JJEOQYAHSA-N 0 0 402.567 5.138 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1Cc1ccccc1 ZINC000222611166 568520578 /nfs/dbraw/zinc/52/05/78/568520578.db2.gz XUEQYDRPRPVQGM-IMRHEYAYSA-N 0 0 402.567 5.138 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1Cc1ccccc1 ZINC000222611233 568520587 /nfs/dbraw/zinc/52/05/87/568520587.db2.gz XUEQYDRPRPVQGM-PDIWNELESA-N 0 0 402.567 5.138 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1Cc1ccccc1 ZINC000222611283 568520632 /nfs/dbraw/zinc/52/06/32/568520632.db2.gz XUEQYDRPRPVQGM-RTFZILSDSA-N 0 0 402.567 5.138 40 0 HKABRN COC(=O)c1cn(C(=O)c2ccc(OCc3ccccc3Cl)cc2)c2ccccc12 ZINC000222611351 568520630 /nfs/dbraw/zinc/52/06/30/568520630.db2.gz UDQZCRHTYLAEGE-UHFFFAOYSA-N 0 0 419.864 5.349 40 0 HKABRN O=C(Nc1ccccc1Sc1ccccc1)c1cnc(-c2ccc(F)cc2)nc1 ZINC000222617537 568520858 /nfs/dbraw/zinc/52/08/58/568520858.db2.gz MCXIWLGFSGNWJO-UHFFFAOYSA-N 0 0 401.466 5.686 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cnc(-c2ccc(F)cc2)nc1 ZINC000222617620 568520878 /nfs/dbraw/zinc/52/08/78/568520878.db2.gz ZDGLVDRDGYQCHE-UHFFFAOYSA-N 0 0 419.843 5.981 40 0 HKABRN O=C(Nc1ccccc1Sc1ccccc1)c1cnc(-c2cccc(F)c2)nc1 ZINC000222626305 568521257 /nfs/dbraw/zinc/52/12/57/568521257.db2.gz QEXBPSDJYSZGNR-UHFFFAOYSA-N 0 0 401.466 5.686 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cnc(-c2cccc(F)c2)nc1 ZINC000222626393 568521267 /nfs/dbraw/zinc/52/12/67/568521267.db2.gz JDDQBTDLFVWQJQ-UHFFFAOYSA-N 0 0 419.843 5.981 40 0 HKABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1cccc(Cl)c1 ZINC000222627741 568521250 /nfs/dbraw/zinc/52/12/50/568521250.db2.gz VGMXKCZVRHYFAO-MRXNPFEDSA-N 0 0 403.975 5.036 40 0 HKABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1cccc(Cl)c1 ZINC000222627800 568521259 /nfs/dbraw/zinc/52/12/59/568521259.db2.gz VGMXKCZVRHYFAO-INIZCTEOSA-N 0 0 403.975 5.036 40 0 HKABRN Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1Cl ZINC000222627910 568521264 /nfs/dbraw/zinc/52/12/64/568521264.db2.gz SPTAOYFTQPVLJQ-IWMITWMQSA-N 0 0 408.958 5.423 40 0 HKABRN Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1Cl ZINC000222627968 568521255 /nfs/dbraw/zinc/52/12/55/568521255.db2.gz SPTAOYFTQPVLJQ-RVHYNSKXSA-N 0 0 408.958 5.423 40 0 HKABRN Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1Cl ZINC000222628037 568521258 /nfs/dbraw/zinc/52/12/58/568521258.db2.gz SPTAOYFTQPVLJQ-ONGXBYRLSA-N 0 0 408.958 5.423 40 0 HKABRN Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1Cl ZINC000222628098 568521283 /nfs/dbraw/zinc/52/12/83/568521283.db2.gz SPTAOYFTQPVLJQ-JHVJFLLYSA-N 0 0 408.958 5.423 40 0 HKABRN COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1OC ZINC000222628311 568521248 /nfs/dbraw/zinc/52/12/48/568521248.db2.gz XRHVXGDYLHGJCJ-UHFFFAOYSA-N 0 0 418.880 5.825 40 0 HKABRN CSc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000222628409 568521389 /nfs/dbraw/zinc/52/13/89/568521389.db2.gz SLFHJLYBNJHWLR-UHFFFAOYSA-N 0 0 404.922 6.529 40 0 HKABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc3ccccc3c2)S1 ZINC000222628470 568521412 /nfs/dbraw/zinc/52/14/12/568521412.db2.gz MNZMNIMDYLRJHC-CQLNOVPUSA-N 0 0 410.546 5.615 40 0 HKABRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc3ccccc3c2)S1 ZINC000222628540 568521417 /nfs/dbraw/zinc/52/14/17/568521417.db2.gz MNZMNIMDYLRJHC-DPSWKAHMSA-N 0 0 410.546 5.615 40 0 HKABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc3ccccc3c2)S1 ZINC000222628596 568521414 /nfs/dbraw/zinc/52/14/14/568521414.db2.gz MNZMNIMDYLRJHC-VEYWIMSWSA-N 0 0 410.546 5.615 40 0 HKABRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc3ccccc3c2)S1 ZINC000222628646 568521395 /nfs/dbraw/zinc/52/13/95/568521395.db2.gz MNZMNIMDYLRJHC-VWMXVWASSA-N 0 0 410.546 5.615 40 0 HKABRN COC(=O)c1cn(C(=O)c2cc(Cl)ccc2OCc2ccccc2)c2ccccc12 ZINC000222628669 568521387 /nfs/dbraw/zinc/52/13/87/568521387.db2.gz DNMJGTAUMFDECN-UHFFFAOYSA-N 0 0 419.864 5.349 40 0 HKABRN COc1ccccc1CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000222628838 568521406 /nfs/dbraw/zinc/52/14/06/568521406.db2.gz VBIKRDVSACQFSB-UHFFFAOYSA-N 0 0 402.881 5.494 40 0 HKABRN COC(=O)c1cn(C(=O)c2cccc(OCc3ccccc3Cl)c2)c2ccccc12 ZINC000222629029 568521408 /nfs/dbraw/zinc/52/14/08/568521408.db2.gz XKNURCCHFPERFY-UHFFFAOYSA-N 0 0 419.864 5.349 40 0 HKABRN C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)c1ccc(Cl)cc1 ZINC000222629507 568521419 /nfs/dbraw/zinc/52/14/19/568521419.db2.gz AITTYEGDZJTVKC-OAHLLOKOSA-N 0 0 421.327 6.700 40 0 HKABRN C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)c1ccc(Cl)cc1 ZINC000222629574 568521439 /nfs/dbraw/zinc/52/14/39/568521439.db2.gz AITTYEGDZJTVKC-HNNXBMFYSA-N 0 0 421.327 6.700 40 0 HKABRN COc1ccc(-c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c3ccccc3n2)cc1 ZINC000222629852 568521430 /nfs/dbraw/zinc/52/14/30/568521430.db2.gz QYUCQISYCDTDBN-UHFFFAOYSA-N 0 0 422.406 6.182 40 0 HKABRN CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)o2)cc1 ZINC000222630396 568521407 /nfs/dbraw/zinc/52/14/07/568521407.db2.gz FJZZEVPHVHNTLL-ITEAAPOESA-N 0 0 405.523 5.330 40 0 HKABRN COc1ccc(-c2cc(C(=O)Nc3ccccc3SC)c3ccccc3n2)cc1 ZINC000222630452 568521401 /nfs/dbraw/zinc/52/14/01/568521401.db2.gz RCAVGNMNUJOIHD-UHFFFAOYSA-N 0 0 400.503 5.885 40 0 HKABRN CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)o2)cc1 ZINC000222630469 568521420 /nfs/dbraw/zinc/52/14/20/568521420.db2.gz FJZZEVPHVHNTLL-ARBPTSGCSA-N 0 0 405.523 5.330 40 0 HKABRN CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)o2)cc1 ZINC000222630551 568521410 /nfs/dbraw/zinc/52/14/10/568521410.db2.gz FJZZEVPHVHNTLL-UZQPLGKSSA-N 0 0 405.523 5.330 40 0 HKABRN CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)o2)cc1 ZINC000222630622 568521528 /nfs/dbraw/zinc/52/15/28/568521528.db2.gz FJZZEVPHVHNTLL-RXYZOABWSA-N 0 0 405.523 5.330 40 0 HKABRN COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000222630824 568521541 /nfs/dbraw/zinc/52/15/41/568521541.db2.gz BYYNAOBXXYYUOE-INIZCTEOSA-N 0 0 416.908 6.055 40 0 HKABRN COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000222630897 568521549 /nfs/dbraw/zinc/52/15/49/568521549.db2.gz BYYNAOBXXYYUOE-MRXNPFEDSA-N 0 0 416.908 6.055 40 0 HKABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 ZINC000222632109 568521536 /nfs/dbraw/zinc/52/15/36/568521536.db2.gz HUQHWZWJNQMHKX-JDORSLCVSA-N 0 0 409.942 5.893 40 0 HKABRN Cc1c(Cl)cccc1-c1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 ZINC000222632185 568521520 /nfs/dbraw/zinc/52/15/20/568521520.db2.gz HUQHWZWJNQMHKX-DYXDTQHNSA-N 0 0 409.942 5.893 40 0 HKABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 ZINC000222632263 568521538 /nfs/dbraw/zinc/52/15/38/568521538.db2.gz HUQHWZWJNQMHKX-SKOKVVANSA-N 0 0 409.942 5.893 40 0 HKABRN Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 ZINC000222632321 568521569 /nfs/dbraw/zinc/52/15/69/568521569.db2.gz HUQHWZWJNQMHKX-ZEWGMFERSA-N 0 0 409.942 5.893 40 0 HKABRN CSc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C ZINC000222632790 568521558 /nfs/dbraw/zinc/52/15/58/568521558.db2.gz KPNWZBJABWORJK-RGEXLXHISA-N 0 0 408.548 5.188 40 0 HKABRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 ZINC000222633501 568521729 /nfs/dbraw/zinc/52/17/29/568521729.db2.gz INXFKVGVRHICLX-LVXYXVKQSA-N 0 0 409.942 5.893 40 0 HKABRN Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 ZINC000222633556 568521664 /nfs/dbraw/zinc/52/16/64/568521664.db2.gz INXFKVGVRHICLX-DLPLYFIVSA-N 0 0 409.942 5.893 40 0 HKABRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 ZINC000222633612 568521688 /nfs/dbraw/zinc/52/16/88/568521688.db2.gz INXFKVGVRHICLX-SZFUDVHCSA-N 0 0 409.942 5.893 40 0 HKABRN Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 ZINC000222633681 568521703 /nfs/dbraw/zinc/52/17/03/568521703.db2.gz INXFKVGVRHICLX-WVFSVQOHSA-N 0 0 409.942 5.893 40 0 HKABRN Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)o2)cc1Cl ZINC000222634021 568521704 /nfs/dbraw/zinc/52/17/04/568521704.db2.gz QZAARLCWHHICMV-LVXYXVKQSA-N 0 0 409.942 5.893 40 0 HKABRN Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)o2)cc1Cl ZINC000222634085 568521702 /nfs/dbraw/zinc/52/17/02/568521702.db2.gz QZAARLCWHHICMV-DLPLYFIVSA-N 0 0 409.942 5.893 40 0 HKABRN Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)o2)cc1Cl ZINC000222634148 568521721 /nfs/dbraw/zinc/52/17/21/568521721.db2.gz QZAARLCWHHICMV-SZFUDVHCSA-N 0 0 409.942 5.893 40 0 HKABRN Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)o2)cc1Cl ZINC000222634202 568521711 /nfs/dbraw/zinc/52/17/11/568521711.db2.gz QZAARLCWHHICMV-WVFSVQOHSA-N 0 0 409.942 5.893 40 0 HKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222638069 568521775 /nfs/dbraw/zinc/52/17/75/568521775.db2.gz IOCOOTXIXKNTFT-WADWEFIESA-N 0 0 402.567 5.387 40 0 HKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222638125 568521827 /nfs/dbraw/zinc/52/18/27/568521827.db2.gz IOCOOTXIXKNTFT-BJQRDSPESA-N 0 0 402.567 5.387 40 0 HKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222638185 568521754 /nfs/dbraw/zinc/52/17/54/568521754.db2.gz IOCOOTXIXKNTFT-UQDCGMOVSA-N 0 0 402.567 5.387 40 0 HKABRN COc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)c(C)c1C ZINC000222638197 568521786 /nfs/dbraw/zinc/52/17/86/568521786.db2.gz ILZWWAGAJJRNLG-UHFFFAOYSA-N 0 0 413.564 5.405 40 0 HKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222638252 568521798 /nfs/dbraw/zinc/52/17/98/568521798.db2.gz IOCOOTXIXKNTFT-MPMWTEJESA-N 0 0 402.567 5.387 40 0 HKABRN O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(CSc2ccccc2)cc1 ZINC000222638694 568521808 /nfs/dbraw/zinc/52/18/08/568521808.db2.gz QFMKHXFFPLXDTE-UHFFFAOYSA-N 0 0 405.519 5.321 40 0 HKABRN O=C(CCc1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000222640269 568521900 /nfs/dbraw/zinc/52/19/00/568521900.db2.gz NEHUYGQTVRILRI-UHFFFAOYSA-N 0 0 409.869 5.475 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)CCc3ccc4c(c3)OCCO4)ccc21 ZINC000222641138 568521972 /nfs/dbraw/zinc/52/19/72/568521972.db2.gz IZHXQQOTZCJWOO-UHFFFAOYSA-N 0 0 400.478 5.157 40 0 HKABRN O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000222641345 568521928 /nfs/dbraw/zinc/52/19/28/568521928.db2.gz KUEHDVYTSINYDZ-UHFFFAOYSA-N 0 0 417.549 5.497 40 0 HKABRN COC(=O)c1cn(C(=O)CSCc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000222641692 568521887 /nfs/dbraw/zinc/52/18/87/568521887.db2.gz UIEXYGYADDBVTO-UHFFFAOYSA-N 0 0 408.306 5.308 40 0 HKABRN COC(=O)c1cn(C(=O)CSCc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000222641784 568521873 /nfs/dbraw/zinc/52/18/73/568521873.db2.gz XWYJOIMPVLVEPO-UHFFFAOYSA-N 0 0 408.306 5.308 40 0 HKABRN CCOc1cc(C)c([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OCC ZINC000222649044 568522168 /nfs/dbraw/zinc/52/21/68/568522168.db2.gz KOJLVYBJRGFKBO-NPFVIJTESA-N 0 0 411.571 5.167 40 0 HKABRN CCOc1cc(C)c([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OCC ZINC000222649114 568522194 /nfs/dbraw/zinc/52/21/94/568522194.db2.gz KOJLVYBJRGFKBO-HVETUWLQSA-N 0 0 411.571 5.167 40 0 HKABRN CCOc1cc(C)c([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OCC ZINC000222649172 568522192 /nfs/dbraw/zinc/52/21/92/568522192.db2.gz KOJLVYBJRGFKBO-URZJWIJPSA-N 0 0 411.571 5.167 40 0 HKABRN CCOc1cc(C)c([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OCC ZINC000222649237 568522170 /nfs/dbraw/zinc/52/21/70/568522170.db2.gz KOJLVYBJRGFKBO-XGRCMKMKSA-N 0 0 411.571 5.167 40 0 HKABRN O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000222650507 568522185 /nfs/dbraw/zinc/52/21/85/568522185.db2.gz RPPZMVIMSZRMEF-UHFFFAOYSA-N 0 0 403.522 5.454 40 0 HKABRN COc1ccc(CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C ZINC000222651313 568522340 /nfs/dbraw/zinc/52/23/40/568522340.db2.gz WCSTVFLBXGSJON-UHFFFAOYSA-N 0 0 407.897 5.459 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3c(OC)ccc4ccc(OC)cc43)N21 ZINC000222652245 568522301 /nfs/dbraw/zinc/52/23/01/568522301.db2.gz TUBNMWJDQIQYRE-UZFJHSOTSA-N 0 0 419.550 5.231 40 0 HKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3c(OC)ccc4ccc(OC)cc43)N21 ZINC000222652304 568522347 /nfs/dbraw/zinc/52/23/47/568522347.db2.gz TUBNMWJDQIQYRE-IRBZQWRBSA-N 0 0 419.550 5.231 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3c(OC)ccc4ccc(OC)cc43)N21 ZINC000222652367 568522284 /nfs/dbraw/zinc/52/22/84/568522284.db2.gz TUBNMWJDQIQYRE-ZGNKEGEESA-N 0 0 419.550 5.231 40 0 HKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3c(OC)ccc4ccc(OC)cc43)N21 ZINC000222652425 568522348 /nfs/dbraw/zinc/52/23/48/568522348.db2.gz TUBNMWJDQIQYRE-PBNUPURSSA-N 0 0 419.550 5.231 40 0 HKABRN CC(C)CSc1nnc(NC(=O)CCCSc2ccc(Cl)cc2)s1 ZINC000222655377 568522464 /nfs/dbraw/zinc/52/24/64/568522464.db2.gz FJQZCGHQNGCAPF-UHFFFAOYSA-N 0 0 402.010 5.451 40 0 HKABRN C[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000222655527 568522483 /nfs/dbraw/zinc/52/24/83/568522483.db2.gz IVPPEMKLWKISOS-QGZVFWFLSA-N 0 0 405.519 5.241 40 0 HKABRN C[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000222655584 568522485 /nfs/dbraw/zinc/52/24/85/568522485.db2.gz IVPPEMKLWKISOS-KRWDZBQOSA-N 0 0 405.519 5.241 40 0 HKABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222656784 568522480 /nfs/dbraw/zinc/52/24/80/568522480.db2.gz LBOPXGLNRMSOOQ-FQEVSTJZSA-N 0 0 422.613 5.249 40 0 HKABRN C[C@@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000222656850 568522472 /nfs/dbraw/zinc/52/24/72/568522472.db2.gz AKIIFXGHJJIBHW-WNSCPLKPSA-N 0 0 419.908 5.529 40 0 HKABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222656884 568522406 /nfs/dbraw/zinc/52/24/06/568522406.db2.gz LBOPXGLNRMSOOQ-HXUWFJFHSA-N 0 0 422.613 5.249 40 0 HKABRN C[C@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000222656916 568522466 /nfs/dbraw/zinc/52/24/66/568522466.db2.gz AKIIFXGHJJIBHW-LBSLPOPVSA-N 0 0 419.908 5.529 40 0 HKABRN CCOc1c(Cl)cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OC ZINC000222657489 568522523 /nfs/dbraw/zinc/52/25/23/568522523.db2.gz GOIPQXABLJWGAM-NIKGAXFTSA-N 0 0 417.962 5.122 40 0 HKABRN CCOc1c(Cl)cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OC ZINC000222657547 568522572 /nfs/dbraw/zinc/52/25/72/568522572.db2.gz GOIPQXABLJWGAM-ZMYBRWDISA-N 0 0 417.962 5.122 40 0 HKABRN CCOc1c(Cl)cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OC ZINC000222657599 568522555 /nfs/dbraw/zinc/52/25/55/568522555.db2.gz GOIPQXABLJWGAM-MDASCCDHSA-N 0 0 417.962 5.122 40 0 HKABRN CCOc1c(Cl)cc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OC ZINC000222657668 568522529 /nfs/dbraw/zinc/52/25/29/568522529.db2.gz GOIPQXABLJWGAM-CCKFTAQKSA-N 0 0 417.962 5.122 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)cc2)cc1 ZINC000222658569 568522548 /nfs/dbraw/zinc/52/25/48/568522548.db2.gz UAYRHHSBUGPNRL-SFHVURJKSA-N 0 0 419.546 5.550 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)cc2)cc1 ZINC000222658628 568522506 /nfs/dbraw/zinc/52/25/06/568522506.db2.gz UAYRHHSBUGPNRL-GOSISDBHSA-N 0 0 419.546 5.550 40 0 HKABRN O=C(CCc1cccc2ccccc21)Nc1ccc(I)cc1 ZINC000222659224 568522576 /nfs/dbraw/zinc/52/25/76/568522576.db2.gz FLICYQMRKXYDIP-UHFFFAOYSA-N 0 0 401.247 5.016 40 0 HKABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1C(C)C ZINC000222660103 568522665 /nfs/dbraw/zinc/52/26/65/568522665.db2.gz WHBGKJNGWKFMBL-UHFFFAOYSA-N 0 0 403.544 5.249 40 0 HKABRN CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OC ZINC000222661281 568522623 /nfs/dbraw/zinc/52/26/23/568522623.db2.gz PLWZYKJNRRUCJQ-NIKGAXFTSA-N 0 0 417.962 5.122 40 0 HKABRN CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OC ZINC000222661341 568522692 /nfs/dbraw/zinc/52/26/92/568522692.db2.gz PLWZYKJNRRUCJQ-ZMYBRWDISA-N 0 0 417.962 5.122 40 0 HKABRN CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OC ZINC000222661393 568522657 /nfs/dbraw/zinc/52/26/57/568522657.db2.gz PLWZYKJNRRUCJQ-MDASCCDHSA-N 0 0 417.962 5.122 40 0 HKABRN CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OC ZINC000222661453 568522682 /nfs/dbraw/zinc/52/26/82/568522682.db2.gz PLWZYKJNRRUCJQ-CCKFTAQKSA-N 0 0 417.962 5.122 40 0 HKABRN O=C(CCc1cccc2ccccc21)NCCSCc1ccc(Cl)cc1Cl ZINC000222663786 568522759 /nfs/dbraw/zinc/52/27/59/568522759.db2.gz QZUZLMXNOMFUEH-UHFFFAOYSA-N 0 0 418.389 6.129 40 0 HKABRN O=C(CCc1cccc2ccccc21)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000222663983 568522725 /nfs/dbraw/zinc/52/27/25/568522725.db2.gz ZBZBQBBUCJIFQZ-UHFFFAOYSA-N 0 0 418.389 6.129 40 0 HKABRN O=C(CCc1cccc2ccccc21)NCCSCc1c(Cl)cccc1Cl ZINC000222664646 568522732 /nfs/dbraw/zinc/52/27/32/568522732.db2.gz NZFNBYYEFLLEQO-UHFFFAOYSA-N 0 0 418.389 6.129 40 0 HKABRN O=C(CCc1cccc2ccccc21)NCCSCc1c(F)cccc1Cl ZINC000222664739 568522748 /nfs/dbraw/zinc/52/27/48/568522748.db2.gz VBLQKVDIYPHPBC-UHFFFAOYSA-N 0 0 401.934 5.615 40 0 HKABRN O=C(CCc1cccc2ccccc21)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000222665288 568522744 /nfs/dbraw/zinc/52/27/44/568522744.db2.gz WOYWIHAFAFQWGA-UHFFFAOYSA-N 0 0 400.522 5.474 40 0 HKABRN O=C(CCc1cccc2ccccc21)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000222665375 568522735 /nfs/dbraw/zinc/52/27/35/568522735.db2.gz DDJHOWNIGXSDJS-UHFFFAOYSA-N 0 0 408.501 5.341 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)c(Cl)c3)N21 ZINC000222665376 568522740 /nfs/dbraw/zinc/52/27/40/568522740.db2.gz AWSZUYBYEFKXKB-UIAACRFSSA-N 0 0 401.963 5.502 40 0 HKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)c(Cl)c3)N21 ZINC000222665442 568522778 /nfs/dbraw/zinc/52/27/78/568522778.db2.gz AWSZUYBYEFKXKB-RYGJVYDSSA-N 0 0 401.963 5.502 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)c(Cl)c3)N21 ZINC000222665499 568522745 /nfs/dbraw/zinc/52/27/45/568522745.db2.gz AWSZUYBYEFKXKB-CDHQVMDDSA-N 0 0 401.963 5.502 40 0 HKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)c(Cl)c3)N21 ZINC000222665556 568522737 /nfs/dbraw/zinc/52/27/37/568522737.db2.gz AWSZUYBYEFKXKB-CWFSZBLJSA-N 0 0 401.963 5.502 40 0 HKABRN O=C(CCc1cccc2ccccc21)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000222665564 568522741 /nfs/dbraw/zinc/52/27/41/568522741.db2.gz QDJBRZFWVRKAHH-UHFFFAOYSA-N 0 0 422.528 5.384 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)CCc1cccc2ccccc21)c1ccccc1 ZINC000222665944 568522853 /nfs/dbraw/zinc/52/28/53/568522853.db2.gz SJZLKVFXAQDYSS-HXUWFJFHSA-N 0 0 422.528 5.902 40 0 HKABRN C[C@H](NC(=O)c1ccccc1NC(=O)CCc1cccc2ccccc21)c1ccccc1 ZINC000222666006 568522879 /nfs/dbraw/zinc/52/28/79/568522879.db2.gz SJZLKVFXAQDYSS-FQEVSTJZSA-N 0 0 422.528 5.902 40 0 HKABRN CCOC(=O)c1c(NC(=O)CCc2cccc3ccccc32)sc2c1CCCC2 ZINC000222666872 568522880 /nfs/dbraw/zinc/52/28/80/568522880.db2.gz ANALJPMDNSUKCZ-UHFFFAOYSA-N 0 0 407.535 5.528 40 0 HKABRN CC(C)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222667054 568522885 /nfs/dbraw/zinc/52/28/85/568522885.db2.gz BMQSRRGXAMSZBI-FQEVSTJZSA-N 0 0 408.586 5.075 40 0 HKABRN CC(C)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222667119 568522871 /nfs/dbraw/zinc/52/28/71/568522871.db2.gz BMQSRRGXAMSZBI-HXUWFJFHSA-N 0 0 408.586 5.075 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Cl)c(OC)c(Cl)c3)N21 ZINC000222667557 568522877 /nfs/dbraw/zinc/52/28/77/568522877.db2.gz ACLCDJWGWRXWNO-OAUYIBNBSA-N 0 0 408.354 5.376 40 0 HKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Cl)c(OC)c(Cl)c3)N21 ZINC000222667613 568522856 /nfs/dbraw/zinc/52/28/56/568522856.db2.gz ACLCDJWGWRXWNO-AFAVFJNCSA-N 0 0 408.354 5.376 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Cl)c(OC)c(Cl)c3)N21 ZINC000222667678 568522865 /nfs/dbraw/zinc/52/28/65/568522865.db2.gz ACLCDJWGWRXWNO-CSMYWGQOSA-N 0 0 408.354 5.376 40 0 HKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Cl)c(OC)c(Cl)c3)N21 ZINC000222667731 568522901 /nfs/dbraw/zinc/52/29/01/568522901.db2.gz ACLCDJWGWRXWNO-JCURWCKSSA-N 0 0 408.354 5.376 40 0 HKABRN O=C(CCc1cccc2ccccc21)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000222667765 568522855 /nfs/dbraw/zinc/52/28/55/568522855.db2.gz ARDHMHHNQIMWJT-UHFFFAOYSA-N 0 0 401.893 6.857 40 0 HKABRN O=C(CCc1cccc2ccccc21)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000222669282 568523019 /nfs/dbraw/zinc/52/30/19/568523019.db2.gz IIIKAWYALNJVSW-UHFFFAOYSA-N 0 0 400.522 5.427 40 0 HKABRN O=C(CSCc1ccccc1Cl)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000222670121 568523011 /nfs/dbraw/zinc/52/30/11/568523011.db2.gz VRUXCWANRKMXKW-UHFFFAOYSA-N 0 0 410.351 5.384 40 0 HKABRN O=C(CCc1cccc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000222670370 568522980 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HKABRN COc1ccc(/C=C(/C(=O)N[C@@H](C)c2cc(OC)ccc2OC)c2ccccc2)cc1 ZINC000222676054 568523217 /nfs/dbraw/zinc/52/32/17/568523217.db2.gz JLSVUZRVHSWQFM-MRSJDWDVSA-N 0 0 417.505 5.130 40 0 HKABRN COc1ccc(/C=C(/C(=O)N[C@H](C)c2cc(OC)ccc2OC)c2ccccc2)cc1 ZINC000222676113 568523284 /nfs/dbraw/zinc/52/32/84/568523284.db2.gz JLSVUZRVHSWQFM-WCIBBKAISA-N 0 0 417.505 5.130 40 0 HKABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCc1cccc2ccccc21 ZINC000222680371 568523438 /nfs/dbraw/zinc/52/34/38/568523438.db2.gz GWCVKEIUSXUHEB-UHFFFAOYSA-N 0 0 405.885 5.134 40 0 HKABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCc1cccc2ccccc21 ZINC000222680464 568523473 /nfs/dbraw/zinc/52/34/73/568523473.db2.gz YNYKNABZIBRZAB-UHFFFAOYSA-N 0 0 405.885 5.134 40 0 HKABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccccc1Cl ZINC000222681703 568523557 /nfs/dbraw/zinc/52/35/57/568523557.db2.gz ZUYDDECYDNIYHU-MRXNPFEDSA-N 0 0 403.975 5.036 40 0 HKABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccccc1Cl ZINC000222681758 568523588 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DCJAQUZZJNRZNH-MTNREXPMSA-N 0 0 406.555 5.121 40 0 HKABRN O=C(CCCSc1ccc(Cl)cc1)NCCSc1ccc(Cl)cc1 ZINC000222683132 568523602 /nfs/dbraw/zinc/52/36/02/568523602.db2.gz RTWZSUWFZQKJJH-UHFFFAOYSA-N 0 0 400.396 5.774 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000222683317 568523597 /nfs/dbraw/zinc/52/35/97/568523597.db2.gz MFCPWLAJDBUOOT-MRXNPFEDSA-N 0 0 422.337 5.616 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000222683384 568523575 /nfs/dbraw/zinc/52/35/75/568523575.db2.gz MFCPWLAJDBUOOT-INIZCTEOSA-N 0 0 422.337 5.616 40 0 HKABRN O=C(CCCSc1ccc(Cl)cc1)NCCSCc1ccccc1Cl ZINC000222683394 568523554 /nfs/dbraw/zinc/52/35/54/568523554.db2.gz MFRDZTQIVYMSOD-UHFFFAOYSA-N 0 0 414.423 5.915 40 0 HKABRN O=C(CCCSc1ccc(Cl)cc1)NCCSCc1cccc(Cl)c1 ZINC000222683482 568523592 /nfs/dbraw/zinc/52/35/92/568523592.db2.gz JYEBASGSSWXKSC-UHFFFAOYSA-N 0 0 414.423 5.915 40 0 HKABRN O=C(CCCSc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1 ZINC000222683563 568523573 /nfs/dbraw/zinc/52/35/73/568523573.db2.gz DMALTWVOMNOPTE-UHFFFAOYSA-N 0 0 414.423 5.915 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(Cl)c3)N21 ZINC000222683967 568523570 /nfs/dbraw/zinc/52/35/70/568523570.db2.gz IEIUJRUMXVYQIH-TYCQWZJGSA-N 0 0 408.958 5.505 40 0 HKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(Cl)c3)N21 ZINC000222684034 568523567 /nfs/dbraw/zinc/52/35/67/568523567.db2.gz IEIUJRUMXVYQIH-ORYQWCPZSA-N 0 0 408.958 5.505 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(Cl)c3)N21 ZINC000222684103 568523578 /nfs/dbraw/zinc/52/35/78/568523578.db2.gz IEIUJRUMXVYQIH-MAODMQOUSA-N 0 0 408.958 5.505 40 0 HKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(Cl)c3)N21 ZINC000222684153 568523574 /nfs/dbraw/zinc/52/35/74/568523574.db2.gz IEIUJRUMXVYQIH-ZLGUVYLKSA-N 0 0 408.958 5.505 40 0 HKABRN O=C(CCCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCC1 ZINC000222685951 568523706 /nfs/dbraw/zinc/52/37/06/568523706.db2.gz PSWXBGDTQCUPEF-UHFFFAOYSA-N 0 0 402.947 5.087 40 0 HKABRN CC(C)CNC(=O)c1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 ZINC000222686123 568523690 /nfs/dbraw/zinc/52/36/90/568523690.db2.gz OFFHHJFISDHTOA-UHFFFAOYSA-N 0 0 404.963 5.237 40 0 HKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 ZINC000222686213 568523669 /nfs/dbraw/zinc/52/36/69/568523669.db2.gz GWCBQUTZYAHBKJ-OAHLLOKOSA-N 0 0 404.963 5.379 40 0 HKABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 ZINC000222686267 568523704 /nfs/dbraw/zinc/52/37/04/568523704.db2.gz GWCBQUTZYAHBKJ-HNNXBMFYSA-N 0 0 404.963 5.379 40 0 HKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)CCCSc2ccc(Cl)cc2)CC1 ZINC000222686724 568523685 /nfs/dbraw/zinc/52/36/85/568523685.db2.gz YVFNPGRHYIFOFH-UHFFFAOYSA-N 0 0 423.409 5.523 40 0 HKABRN O=C(CCCSc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000222686806 568523686 /nfs/dbraw/zinc/52/36/86/568523686.db2.gz ZZDKHDQXAFNYQC-UHFFFAOYSA-N 0 0 409.382 5.215 40 0 HKABRN O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(Br)cc1F ZINC000222687503 568523713 /nfs/dbraw/zinc/52/37/13/568523713.db2.gz QMUCVUKCCDSQLN-UHFFFAOYSA-N 0 0 402.716 5.753 40 0 HKABRN CCCCNC(=O)c1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 ZINC000222687989 568523698 /nfs/dbraw/zinc/52/36/98/568523698.db2.gz NQJZJMPDPPTSIS-UHFFFAOYSA-N 0 0 404.963 5.381 40 0 HKABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 ZINC000222688597 568523682 /nfs/dbraw/zinc/52/36/82/568523682.db2.gz NQGTWQLUAIMVCN-UHFFFAOYSA-N 0 0 404.963 5.379 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1 ZINC000222688685 568523681 /nfs/dbraw/zinc/52/36/81/568523681.db2.gz YHEARNOAKUGVDM-UHFFFAOYSA-N 0 0 405.947 5.808 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(Sc4ccccc4)cc3)N21 ZINC000222688866 568523666 /nfs/dbraw/zinc/52/36/66/568523666.db2.gz LLTLVLQMZCXKKC-YFXJRYMSSA-N 0 0 417.603 6.212 40 0 HKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(Sc4ccccc4)cc3)N21 ZINC000222688927 568523672 /nfs/dbraw/zinc/52/36/72/568523672.db2.gz LLTLVLQMZCXKKC-OFAXGOBFSA-N 0 0 417.603 6.212 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(Sc4ccccc4)cc3)N21 ZINC000222688985 568523676 /nfs/dbraw/zinc/52/36/76/568523676.db2.gz LLTLVLQMZCXKKC-SXSPYAJSSA-N 0 0 417.603 6.212 40 0 HKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(Sc4ccccc4)cc3)N21 ZINC000222689049 568523670 /nfs/dbraw/zinc/52/36/70/568523670.db2.gz LLTLVLQMZCXKKC-CDNPAEQRSA-N 0 0 417.603 6.212 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)CCCSc3ccc(Cl)cc3)ccc21 ZINC000222689069 568523678 /nfs/dbraw/zinc/52/36/78/568523678.db2.gz DMRQLHOSGFVJSO-UHFFFAOYSA-N 0 0 422.981 6.979 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccccc3Sc3ccccc3)N21 ZINC000222689626 568523671 /nfs/dbraw/zinc/52/36/71/568523671.db2.gz PHYKAUPOQSAPMW-MQNAVGNWSA-N 0 0 417.603 6.212 40 0 HKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccccc3Sc3ccccc3)N21 ZINC000222689692 568523683 /nfs/dbraw/zinc/52/36/83/568523683.db2.gz PHYKAUPOQSAPMW-PDIWNELESA-N 0 0 417.603 6.212 40 0 HKABRN CCOc1ccc(CNC(=O)CCCSc2ccc(Cl)cc2)cc1OCC ZINC000222689709 568523715 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O=C(CCCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)c1ccccc1 ZINC000222692048 568523817 /nfs/dbraw/zinc/52/38/17/568523817.db2.gz FKQCTGIPCRPZHZ-UHFFFAOYSA-N 0 0 409.938 6.082 40 0 HKABRN CC(C)Oc1cccc(CCCNC(=O)CCCSc2ccc(Cl)cc2)c1 ZINC000222692133 568523770 /nfs/dbraw/zinc/52/37/70/568523770.db2.gz BMQUJVORGWCNBJ-UHFFFAOYSA-N 0 0 405.991 5.749 40 0 HKABRN CC(C)Oc1ccc(CCCNC(=O)CCCSc2ccc(Cl)cc2)cc1 ZINC000222692202 568523792 /nfs/dbraw/zinc/52/37/92/568523792.db2.gz SFAZXIXYAOQYET-UHFFFAOYSA-N 0 0 405.991 5.749 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(C4CCCCC4)c3C)N21 ZINC000222693390 568523826 /nfs/dbraw/zinc/52/38/26/568523826.db2.gz NFOOPFNIKALYIL-YFXJRYMSSA-N 0 0 408.615 5.985 40 0 HKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(C4CCCCC4)c3C)N21 ZINC000222693455 568523793 /nfs/dbraw/zinc/52/37/93/568523793.db2.gz NFOOPFNIKALYIL-OFAXGOBFSA-N 0 0 408.615 5.985 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(C4CCCCC4)c3C)N21 ZINC000222693520 568523819 /nfs/dbraw/zinc/52/38/19/568523819.db2.gz NFOOPFNIKALYIL-SXSPYAJSSA-N 0 0 408.615 5.985 40 0 HKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(C4CCCCC4)c3C)N21 ZINC000222693577 568523778 /nfs/dbraw/zinc/52/37/78/568523778.db2.gz NFOOPFNIKALYIL-CDNPAEQRSA-N 0 0 408.615 5.985 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=O)CCCSc2ccc(Cl)cc2)cc1 ZINC000222693909 568523799 /nfs/dbraw/zinc/52/37/99/568523799.db2.gz AFPADBLQBSDDOO-OAQYLSRUSA-N 0 0 405.991 6.125 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=O)CCCSc2ccc(Cl)cc2)cc1 ZINC000222693972 568523809 /nfs/dbraw/zinc/52/38/09/568523809.db2.gz AFPADBLQBSDDOO-NRFANRHFSA-N 0 0 405.991 6.125 40 0 HKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000222694004 568523795 /nfs/dbraw/zinc/52/37/95/568523795.db2.gz MCTZAQZRZUNEFF-MIDMBNTASA-N 0 0 418.562 5.322 40 0 HKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000222694073 568523772 /nfs/dbraw/zinc/52/37/72/568523772.db2.gz MCTZAQZRZUNEFF-IQJJTXKVSA-N 0 0 418.562 5.322 40 0 HKABRN CCOC(=O)c1cc(NC(=O)CCCSc2ccc(Cl)cc2)ccc1Cl ZINC000222694119 568523812 /nfs/dbraw/zinc/52/38/12/568523812.db2.gz PVIAJTOPTSOAFA-UHFFFAOYSA-N 0 0 412.338 5.681 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1Cl ZINC000222694206 568523771 /nfs/dbraw/zinc/52/37/71/568523771.db2.gz CDGJTTAGTIDLKE-UHFFFAOYSA-N 0 0 412.338 5.681 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(Cc4ccccc4)c3C)N21 ZINC000222694211 568523810 /nfs/dbraw/zinc/52/38/10/568523810.db2.gz LEFCVQTYQVQHSP-FGCOXFRFSA-N 0 0 416.594 5.528 40 0 HKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(Cc4ccccc4)c3C)N21 ZINC000222694249 568523804 /nfs/dbraw/zinc/52/38/04/568523804.db2.gz LEFCVQTYQVQHSP-NKKJXINNSA-N 0 0 416.594 5.528 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(Cc4ccccc4)c3C)N21 ZINC000222694315 568523822 /nfs/dbraw/zinc/52/38/22/568523822.db2.gz LEFCVQTYQVQHSP-AGILITTLSA-N 0 0 416.594 5.528 40 0 HKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(Cc4ccccc4)c3C)N21 ZINC000222694381 568523783 /nfs/dbraw/zinc/52/37/83/568523783.db2.gz LEFCVQTYQVQHSP-TUACAJSNSA-N 0 0 416.594 5.528 40 0 HKABRN CCCOc1ccccc1CCCNC(=O)CCCSc1ccc(Cl)cc1 ZINC000222694407 568523777 /nfs/dbraw/zinc/52/37/77/568523777.db2.gz WEFGWXCJGPZQCG-UHFFFAOYSA-N 0 0 405.991 5.750 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1OCC ZINC000222694912 568523923 /nfs/dbraw/zinc/52/39/23/568523923.db2.gz GVUORUYPQHNNNE-QZTJIDSGSA-N 0 0 411.542 5.008 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1OCC ZINC000222694976 568523950 /nfs/dbraw/zinc/52/39/50/568523950.db2.gz GVUORUYPQHNNNE-ZWKOTPCHSA-N 0 0 411.542 5.008 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1OCC ZINC000222695045 568523948 /nfs/dbraw/zinc/52/39/48/568523948.db2.gz GVUORUYPQHNNNE-MSOLQXFVSA-N 0 0 411.542 5.008 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1OCC ZINC000222695107 568523916 /nfs/dbraw/zinc/52/39/16/568523916.db2.gz GVUORUYPQHNNNE-ROUUACIJSA-N 0 0 411.542 5.008 40 0 HKABRN Cc1ccc2c(c1)[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000222695159 568523930 /nfs/dbraw/zinc/52/39/30/568523930.db2.gz GFRXZTPTZQHMIQ-IBGZPJMESA-N 0 0 403.975 5.939 40 0 HKABRN Cc1ccc2c(c1)[C@H](NC(=O)CCCSc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000222695230 568523937 /nfs/dbraw/zinc/52/39/37/568523937.db2.gz GFRXZTPTZQHMIQ-LJQANCHMSA-N 0 0 403.975 5.939 40 0 HKABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1cccc(Cl)c1 ZINC000222695281 568523901 /nfs/dbraw/zinc/52/39/01/568523901.db2.gz GFDOJFPIENOPFF-MRXNPFEDSA-N 0 0 403.975 5.036 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCSc1ccc(Cl)cc1 ZINC000222695319 568523927 /nfs/dbraw/zinc/52/39/27/568523927.db2.gz JFQBUWMFQNWDBB-IBGZPJMESA-N 0 0 403.975 5.939 40 0 HKABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1cccc(Cl)c1 ZINC000222695350 568523946 /nfs/dbraw/zinc/52/39/46/568523946.db2.gz GFDOJFPIENOPFF-INIZCTEOSA-N 0 0 403.975 5.036 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCSc1ccc(Cl)cc1 ZINC000222695379 568523934 /nfs/dbraw/zinc/52/39/34/568523934.db2.gz JFQBUWMFQNWDBB-LJQANCHMSA-N 0 0 403.975 5.939 40 0 HKABRN COc1ccc2c(c1)[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000222695458 568523919 /nfs/dbraw/zinc/52/39/19/568523919.db2.gz PGHYSZFMOVFIFI-IBGZPJMESA-N 0 0 419.974 5.640 40 0 HKABRN COc1ccc2c(c1)[C@H](NC(=O)CCCSc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000222695514 568523951 /nfs/dbraw/zinc/52/39/51/568523951.db2.gz PGHYSZFMOVFIFI-LJQANCHMSA-N 0 0 419.974 5.640 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCSc1ccc(Cl)cc1 ZINC000222695605 568523909 /nfs/dbraw/zinc/52/39/09/568523909.db2.gz VWHUHDAPPAZVFK-IBGZPJMESA-N 0 0 419.974 5.640 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCSc1ccc(Cl)cc1 ZINC000222695668 568523900 /nfs/dbraw/zinc/52/39/00/568523900.db2.gz VWHUHDAPPAZVFK-LJQANCHMSA-N 0 0 419.974 5.640 40 0 HKABRN CC[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000222696209 568523903 /nfs/dbraw/zinc/52/39/03/568523903.db2.gz POAMWWNQAAIILR-GOSISDBHSA-N 0 0 407.963 5.497 40 0 HKABRN CC[C@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000222696267 568523925 /nfs/dbraw/zinc/52/39/25/568523925.db2.gz POAMWWNQAAIILR-SFHVURJKSA-N 0 0 407.963 5.497 40 0 HKABRN O=C(CCCSc1ccc(Cl)cc1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000222696967 568524062 /nfs/dbraw/zinc/52/40/62/568524062.db2.gz WXOYKAXZPCRHQV-UHFFFAOYSA-N 0 0 422.337 5.232 40 0 HKABRN Cc1cccc(-c2noc(CN(C)C(=O)CCCSc3ccc(Cl)cc3)n2)c1 ZINC000222697066 568524061 /nfs/dbraw/zinc/52/40/61/568524061.db2.gz LIVZKZDSKRQTIP-UHFFFAOYSA-N 0 0 415.946 5.229 40 0 HKABRN Cc1ccc(-c2noc(CN(C)C(=O)CCCSc3ccc(Cl)cc3)n2)cc1 ZINC000222697178 568524074 /nfs/dbraw/zinc/52/40/74/568524074.db2.gz RHIQQCXKCHPGKW-UHFFFAOYSA-N 0 0 415.946 5.229 40 0 HKABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000222697564 568524067 /nfs/dbraw/zinc/52/40/67/568524067.db2.gz YPMUXIZTMBOSDT-UHFFFAOYSA-N 0 0 421.975 5.373 40 0 HKABRN O=C(CCCSc1ccc(Cl)cc1)NCCCN1CCCc2ccccc21 ZINC000222697838 568524088 /nfs/dbraw/zinc/52/40/88/568524088.db2.gz PPMDWGXDQMPAOJ-UHFFFAOYSA-N 0 0 402.991 5.171 40 0 HKABRN O=C(CSCc1ccccc1F)NCCSCc1ccc(Cl)cc1Cl ZINC000222700095 568524072 /nfs/dbraw/zinc/52/40/72/568524072.db2.gz NBTSSJDQZVLRPC-UHFFFAOYSA-N 0 0 418.386 5.415 40 0 HKABRN O=C(CSCc1ccccc1F)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000222700151 568524078 /nfs/dbraw/zinc/52/40/78/568524078.db2.gz JPZXLMGYZJULOU-UHFFFAOYSA-N 0 0 418.386 5.415 40 0 HKABRN C[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000222700330 568524033 /nfs/dbraw/zinc/52/40/33/568524033.db2.gz VWEYLKMWFJGUNK-MRXNPFEDSA-N 0 0 423.896 5.181 40 0 HKABRN O=C(CSCc1ccccc1F)NCCSCc1c(Cl)cccc1Cl ZINC000222700368 568524162 /nfs/dbraw/zinc/52/41/62/568524162.db2.gz BAYIINQUGHCBPQ-UHFFFAOYSA-N 0 0 418.386 5.415 40 0 HKABRN C[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000222700389 568524179 /nfs/dbraw/zinc/52/41/79/568524179.db2.gz VWEYLKMWFJGUNK-INIZCTEOSA-N 0 0 423.896 5.181 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)CSCc1ccccc1F)c1ccccc1 ZINC000222701408 568524159 /nfs/dbraw/zinc/52/41/59/568524159.db2.gz OMVRTGXBPNECJP-QGZVFWFLSA-N 0 0 422.525 5.189 40 0 HKABRN C[C@H](NC(=O)c1ccccc1NC(=O)CSCc1ccccc1F)c1ccccc1 ZINC000222701468 568524161 /nfs/dbraw/zinc/52/41/61/568524161.db2.gz OMVRTGXBPNECJP-KRWDZBQOSA-N 0 0 422.525 5.189 40 0 HKABRN O=C(CSCc1ccccc1F)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000222702399 568524164 /nfs/dbraw/zinc/52/41/64/568524164.db2.gz TXGNZEQTQMJBRN-UHFFFAOYSA-N 0 0 401.890 6.143 40 0 HKABRN Cc1ccccc1CN(C(=O)CCc1ccc(C(C)C)cc1)[C@@H](C)C(=O)NC(C)(C)C ZINC000222705120 568524197 /nfs/dbraw/zinc/52/41/97/568524197.db2.gz UAOBGTIREILAPK-NRFANRHFSA-N 0 0 422.613 5.383 40 0 HKABRN Cc1ccccc1CN(C(=O)CCc1ccc(C(C)C)cc1)[C@H](C)C(=O)NC(C)(C)C ZINC000222705178 568524160 /nfs/dbraw/zinc/52/41/60/568524160.db2.gz UAOBGTIREILAPK-OAQYLSRUSA-N 0 0 422.613 5.383 40 0 HKABRN O=C(CSCc1ccccc1F)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000222705317 568524300 /nfs/dbraw/zinc/52/43/00/568524300.db2.gz UFCVNMJQDNMFKZ-UHFFFAOYSA-N 0 0 409.570 6.165 40 0 HKABRN CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1 ZINC000222708392 568524310 /nfs/dbraw/zinc/52/43/10/568524310.db2.gz ZSBYUJJUMMWVLN-NLSFWIRASA-N 0 0 418.566 5.250 40 0 HKABRN CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1 ZINC000222708458 568524274 /nfs/dbraw/zinc/52/42/74/568524274.db2.gz ZSBYUJJUMMWVLN-ZQMYSKGWSA-N 0 0 418.566 5.250 40 0 HKABRN CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1 ZINC000222708523 568524293 /nfs/dbraw/zinc/52/42/93/568524293.db2.gz ZSBYUJJUMMWVLN-MQNAVGNWSA-N 0 0 418.566 5.250 40 0 HKABRN CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1 ZINC000222708580 568524306 /nfs/dbraw/zinc/52/43/06/568524306.db2.gz ZSBYUJJUMMWVLN-VSDWSMLSSA-N 0 0 418.566 5.250 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C)c(C)c3)N21 ZINC000222709731 568524301 /nfs/dbraw/zinc/52/43/01/568524301.db2.gz XEXKKSRWECLJEF-YFXJRYMSSA-N 0 0 402.567 5.469 40 0 HKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C)c(C)c3)N21 ZINC000222709795 568524347 /nfs/dbraw/zinc/52/43/47/568524347.db2.gz XEXKKSRWECLJEF-OFAXGOBFSA-N 0 0 402.567 5.469 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C)c(C)c3)N21 ZINC000222709863 568524416 /nfs/dbraw/zinc/52/44/16/568524416.db2.gz XEXKKSRWECLJEF-SXSPYAJSSA-N 0 0 402.567 5.469 40 0 HKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C)c(C)c3)N21 ZINC000222709930 568524420 /nfs/dbraw/zinc/52/44/20/568524420.db2.gz XEXKKSRWECLJEF-CDNPAEQRSA-N 0 0 402.567 5.469 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(Cl)c(C)c3)N21 ZINC000222710016 568524419 /nfs/dbraw/zinc/52/44/19/568524419.db2.gz MFTIKJBZPYVITI-URZJWIJPSA-N 0 0 422.985 5.814 40 0 HKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(Cl)c(C)c3)N21 ZINC000222710078 568524370 /nfs/dbraw/zinc/52/43/70/568524370.db2.gz MFTIKJBZPYVITI-WQTXXOFMSA-N 0 0 422.985 5.814 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(Cl)c(C)c3)N21 ZINC000222710137 568524386 /nfs/dbraw/zinc/52/43/86/568524386.db2.gz MFTIKJBZPYVITI-NPFVIJTESA-N 0 0 422.985 5.814 40 0 HKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(Cl)c(C)c3)N21 ZINC000222710204 568524388 /nfs/dbraw/zinc/52/43/88/568524388.db2.gz MFTIKJBZPYVITI-KNXBSLHKSA-N 0 0 422.985 5.814 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc4ccccc4c3)N21 ZINC000222710573 568524421 /nfs/dbraw/zinc/52/44/21/568524421.db2.gz CKVQKPLVCNPPOJ-DCEDVJGZSA-N 0 0 424.573 6.005 40 0 HKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc4ccccc4c3)N21 ZINC000222710636 568524374 /nfs/dbraw/zinc/52/43/74/568524374.db2.gz CKVQKPLVCNPPOJ-KSNOWIBYSA-N 0 0 424.573 6.005 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc4ccccc4c3)N21 ZINC000222710692 568524408 /nfs/dbraw/zinc/52/44/08/568524408.db2.gz CKVQKPLVCNPPOJ-NIJXNBFTSA-N 0 0 424.573 6.005 40 0 HKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc4ccccc4c3)N21 ZINC000222710749 568524409 /nfs/dbraw/zinc/52/44/09/568524409.db2.gz CKVQKPLVCNPPOJ-BUUDZMLXSA-N 0 0 424.573 6.005 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(Cl)cc4)o3)N21 ZINC000222711623 568524368 /nfs/dbraw/zinc/52/43/68/568524368.db2.gz DAKZMLRQPQXEDW-TYCQWZJGSA-N 0 0 409.942 5.974 40 0 HKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(Cl)cc4)o3)N21 ZINC000222711686 568524380 /nfs/dbraw/zinc/52/43/80/568524380.db2.gz DAKZMLRQPQXEDW-ORYQWCPZSA-N 0 0 409.942 5.974 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(Cl)cc4)o3)N21 ZINC000222711750 568524407 /nfs/dbraw/zinc/52/44/07/568524407.db2.gz DAKZMLRQPQXEDW-MAODMQOUSA-N 0 0 409.942 5.974 40 0 HKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(Cl)cc4)o3)N21 ZINC000222711803 568524358 /nfs/dbraw/zinc/52/43/58/568524358.db2.gz DAKZMLRQPQXEDW-ZLGUVYLKSA-N 0 0 409.942 5.974 40 0 HKABRN CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)N=C4SC[C@@H](CC)N43)o2)cc1 ZINC000222712434 568524341 /nfs/dbraw/zinc/52/43/41/568524341.db2.gz AZSODEDGHIIOEC-NLSFWIRASA-N 0 0 419.550 5.720 40 0 HKABRN CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)N=C4SC[C@@H](CC)N43)o2)cc1 ZINC000222712483 568524422 /nfs/dbraw/zinc/52/44/22/568524422.db2.gz AZSODEDGHIIOEC-ZQMYSKGWSA-N 0 0 419.550 5.720 40 0 HKABRN CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)N=C4SC[C@@H](CC)N43)o2)cc1 ZINC000222712549 568524519 /nfs/dbraw/zinc/52/45/19/568524519.db2.gz AZSODEDGHIIOEC-MQNAVGNWSA-N 0 0 419.550 5.720 40 0 HKABRN CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)N=C4SC[C@@H](CC)N43)o2)cc1 ZINC000222712603 568524462 /nfs/dbraw/zinc/52/44/62/568524462.db2.gz AZSODEDGHIIOEC-VSDWSMLSSA-N 0 0 419.550 5.720 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4cccc(Cl)c4C)o3)N21 ZINC000222714058 568524508 /nfs/dbraw/zinc/52/45/08/568524508.db2.gz VQNNUKFXRYRTJM-KBJGYGKASA-N 0 0 423.969 6.283 40 0 HKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4cccc(Cl)c4C)o3)N21 ZINC000222714141 568524484 /nfs/dbraw/zinc/52/44/84/568524484.db2.gz VQNNUKFXRYRTJM-UZQPLGKSSA-N 0 0 423.969 6.283 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4cccc(Cl)c4C)o3)N21 ZINC000222714190 568524506 /nfs/dbraw/zinc/52/45/06/568524506.db2.gz VQNNUKFXRYRTJM-UJUVCNOISA-N 0 0 423.969 6.283 40 0 HKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4cccc(Cl)c4C)o3)N21 ZINC000222714237 568524530 /nfs/dbraw/zinc/52/45/30/568524530.db2.gz VQNNUKFXRYRTJM-ITEAAPOESA-N 0 0 423.969 6.283 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)Nc1cccc(Br)c1 ZINC000222715333 568524445 /nfs/dbraw/zinc/52/44/45/568524445.db2.gz NVLAHFKJVBXAOD-UHFFFAOYSA-N 0 0 405.144 5.628 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4cc(Cl)ccc4C)o3)N21 ZINC000222715408 568524651 /nfs/dbraw/zinc/52/46/51/568524651.db2.gz DJEHXVPBGXPVBV-URZJWIJPSA-N 0 0 423.969 6.283 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1 ZINC000222715431 568524656 /nfs/dbraw/zinc/52/46/56/568524656.db2.gz JHUWICYOKIYLSF-UHFFFAOYSA-N 0 0 405.144 5.628 40 0 HKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4cc(Cl)ccc4C)o3)N21 ZINC000222715468 568524577 /nfs/dbraw/zinc/52/45/77/568524577.db2.gz DJEHXVPBGXPVBV-WQTXXOFMSA-N 0 0 423.969 6.283 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4cc(Cl)ccc4C)o3)N21 ZINC000222715535 568524543 /nfs/dbraw/zinc/52/45/43/568524543.db2.gz DJEHXVPBGXPVBV-NPFVIJTESA-N 0 0 423.969 6.283 40 0 HKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4cc(Cl)ccc4C)o3)N21 ZINC000222715595 568524599 /nfs/dbraw/zinc/52/45/99/568524599.db2.gz DJEHXVPBGXPVBV-KNXBSLHKSA-N 0 0 423.969 6.283 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(Oc2ccccc2)cc1 ZINC000222715612 568524531 /nfs/dbraw/zinc/52/45/31/568524531.db2.gz PLCZSQIDHVBOPD-UHFFFAOYSA-N 0 0 418.345 6.658 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccccc1Br ZINC000222715707 568524625 /nfs/dbraw/zinc/52/46/25/568524625.db2.gz AJNGKGYSZFBILE-UHFFFAOYSA-N 0 0 405.144 5.628 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(C)c(Cl)c4)o3)N21 ZINC000222715940 568524653 /nfs/dbraw/zinc/52/46/53/568524653.db2.gz LPXUTMZINJLALU-URZJWIJPSA-N 0 0 423.969 6.283 40 0 HKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(C)c(Cl)c4)o3)N21 ZINC000222716001 568524548 /nfs/dbraw/zinc/52/45/48/568524548.db2.gz LPXUTMZINJLALU-WQTXXOFMSA-N 0 0 423.969 6.283 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(C)c(Cl)c4)o3)N21 ZINC000222716073 568524623 /nfs/dbraw/zinc/52/46/23/568524623.db2.gz LPXUTMZINJLALU-NPFVIJTESA-N 0 0 423.969 6.283 40 0 HKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(C)c(Cl)c4)o3)N21 ZINC000222716126 568524613 /nfs/dbraw/zinc/52/46/13/568524613.db2.gz LPXUTMZINJLALU-KNXBSLHKSA-N 0 0 423.969 6.283 40 0 HKABRN Cc1ccc(SCCNC(=O)CSCc2ccc(Cl)cc2Cl)cc1 ZINC000222716329 568524550 /nfs/dbraw/zinc/52/45/50/568524550.db2.gz AQDCGTYBMVIFOR-UHFFFAOYSA-N 0 0 400.396 5.444 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)NCCSc1ccc(Cl)cc1 ZINC000222716407 568524606 /nfs/dbraw/zinc/52/46/06/568524606.db2.gz NNLBAPCMVONTHY-UHFFFAOYSA-N 0 0 420.814 5.789 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)NCCSCc1ccccc1 ZINC000222716475 568524640 /nfs/dbraw/zinc/52/46/40/568524640.db2.gz ICZKQQXSVSMOCA-UHFFFAOYSA-N 0 0 400.396 5.276 40 0 HKABRN Cc1ccc(CSCCNC(=O)CSCc2ccc(Cl)cc2Cl)cc1 ZINC000222716535 568524546 /nfs/dbraw/zinc/52/45/46/568524546.db2.gz FOPXSUBMCZQZIL-UHFFFAOYSA-N 0 0 414.423 5.585 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccc(Cl)cc1Cl ZINC000222716955 568524637 /nfs/dbraw/zinc/52/46/37/568524637.db2.gz NBEKNJYGVLEHTM-UHFFFAOYSA-N 0 0 409.165 5.850 40 0 HKABRN CSc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 ZINC000222717511 568524584 /nfs/dbraw/zinc/52/45/84/568524584.db2.gz BJUGYNCUVYGVLT-RGEXLXHISA-N 0 0 408.548 5.188 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000222717683 568524649 /nfs/dbraw/zinc/52/46/49/568524649.db2.gz CXJFBGYADFVBCQ-UHFFFAOYSA-N 0 0 408.394 5.708 40 0 HKABRN Cc1cccc(CSCCNC(=O)CSCc2ccc(Cl)cc2Cl)c1 ZINC000222717954 568524571 /nfs/dbraw/zinc/52/45/71/568524571.db2.gz XBWJDSWYJIAAEF-UHFFFAOYSA-N 0 0 414.423 5.585 40 0 HKABRN Cc1ccccc1CSCCNC(=O)CSCc1ccc(Cl)cc1Cl ZINC000222718545 568524621 /nfs/dbraw/zinc/52/46/21/568524621.db2.gz UNTDSAKIPVFIGW-UHFFFAOYSA-N 0 0 414.423 5.585 40 0 HKABRN CC(C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000222718718 568524569 /nfs/dbraw/zinc/52/45/69/568524569.db2.gz OLIOGHMBLBCYBK-UHFFFAOYSA-N 0 0 411.354 5.004 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCC1 ZINC000222718801 568524647 /nfs/dbraw/zinc/52/46/47/568524647.db2.gz HHZGSKORYOIXQJ-UHFFFAOYSA-N 0 0 423.365 5.101 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3c(C)c(C)n(-c4ccccc4)c3C)N21 ZINC000222719662 568524661 /nfs/dbraw/zinc/52/46/61/568524661.db2.gz TVYFWNIRNJPJQE-VEXUSMLFSA-N 0 0 416.594 5.777 40 0 HKABRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3c(C)c(C)n(-c4ccccc4)c3C)N21 ZINC000222719714 568524692 /nfs/dbraw/zinc/52/46/92/568524692.db2.gz TVYFWNIRNJPJQE-WDJPJFJCSA-N 0 0 416.594 5.777 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3c(C)c(C)n(-c4ccccc4)c3C)N21 ZINC000222719779 568524726 /nfs/dbraw/zinc/52/47/26/568524726.db2.gz TVYFWNIRNJPJQE-CTUHWIOQSA-N 0 0 416.594 5.777 40 0 HKABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3c(C)c(C)n(-c4ccccc4)c3C)N21 ZINC000222719825 568524754 /nfs/dbraw/zinc/52/47/54/568524754.db2.gz TVYFWNIRNJPJQE-WUMKDDEVSA-N 0 0 416.594 5.777 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1F ZINC000222720522 568524702 /nfs/dbraw/zinc/52/47/02/568524702.db2.gz ROLATZDPMQTJJT-UHFFFAOYSA-N 0 0 423.134 5.767 40 0 HKABRN COC(=O)c1cc(NC(=O)CSCc2ccc(Cl)cc2Cl)ccc1Cl ZINC000222720599 568524687 /nfs/dbraw/zinc/52/46/87/568524687.db2.gz JMJBYQXYSDTZSJ-UHFFFAOYSA-N 0 0 418.729 5.305 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 ZINC000222720688 568524696 /nfs/dbraw/zinc/52/46/96/568524696.db2.gz BWYSHYVRSJBLRE-UHFFFAOYSA-N 0 0 418.729 5.305 40 0 HKABRN CCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000222720769 568524680 /nfs/dbraw/zinc/52/46/80/568524680.db2.gz WRKLWWNYAFAVTL-UHFFFAOYSA-N 0 0 411.354 5.005 40 0 HKABRN C[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000222721357 568524718 /nfs/dbraw/zinc/52/47/18/568524718.db2.gz KRXKEPMIHCGQCD-MRXNPFEDSA-N 0 0 423.896 5.181 40 0 HKABRN C[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000222721411 568524734 /nfs/dbraw/zinc/52/47/34/568524734.db2.gz KRXKEPMIHCGQCD-INIZCTEOSA-N 0 0 423.896 5.181 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccccc1Oc1ccccc1 ZINC000222721458 568524694 /nfs/dbraw/zinc/52/46/94/568524694.db2.gz AGADJCFVHLLTJI-UHFFFAOYSA-N 0 0 418.345 6.658 40 0 HKABRN C[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc2c(c1)OCCO2 ZINC000222721643 568524663 /nfs/dbraw/zinc/52/46/63/568524663.db2.gz MHAIPFPSQLXMPD-MRXNPFEDSA-N 0 0 423.896 5.181 40 0 HKABRN C[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc2c(c1)OCCO2 ZINC000222721707 568524698 /nfs/dbraw/zinc/52/46/98/568524698.db2.gz MHAIPFPSQLXMPD-INIZCTEOSA-N 0 0 423.896 5.181 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)NC(c1ccccc1)c1ccccc1 ZINC000222722085 568524739 /nfs/dbraw/zinc/52/47/39/568524739.db2.gz CARZHKWKPSYHRG-UHFFFAOYSA-N 0 0 416.373 6.132 40 0 HKABRN C[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000222722918 568524719 /nfs/dbraw/zinc/52/47/19/568524719.db2.gz GPALBFPSPQPDMW-CQSZACIVSA-N 0 0 410.410 6.402 40 0 HKABRN C[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000222722977 568524682 /nfs/dbraw/zinc/52/46/82/568524682.db2.gz GPALBFPSPQPDMW-AWEZNQCLSA-N 0 0 410.410 6.402 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)NCCCc1ccccc1Cl ZINC000222723082 568524708 /nfs/dbraw/zinc/52/47/08/568524708.db2.gz WHHNKRJJGXDILM-UHFFFAOYSA-N 0 0 402.774 5.629 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)NCCCc1ccc(Cl)cc1 ZINC000222723168 568524678 /nfs/dbraw/zinc/52/46/78/568524678.db2.gz MVJOKOOECKKGJP-UHFFFAOYSA-N 0 0 402.774 5.629 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)NCCSCc1ccccc1F ZINC000222723866 568524815 /nfs/dbraw/zinc/52/48/15/568524815.db2.gz YXFNEZWBQFLSMX-UHFFFAOYSA-N 0 0 418.386 5.415 40 0 HKABRN CCOc1ccccc1CCCNC(=O)CSCc1ccc(Cl)cc1Cl ZINC000222724198 568524848 /nfs/dbraw/zinc/52/48/48/568524848.db2.gz FVMVTOQZLFQKAG-UHFFFAOYSA-N 0 0 412.382 5.374 40 0 HKABRN CCOC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)cc2Cl)c1C ZINC000222724559 568524831 /nfs/dbraw/zinc/52/48/31/568524831.db2.gz ILXFFLUQNWWQNU-UHFFFAOYSA-N 0 0 412.338 5.350 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 ZINC000222724652 568524781 /nfs/dbraw/zinc/52/47/81/568524781.db2.gz MPCUNLBXOTVQEY-UHFFFAOYSA-N 0 0 412.338 5.350 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)c(C)c1 ZINC000222724745 568524785 /nfs/dbraw/zinc/52/47/85/568524785.db2.gz TVYKUOUHDMRAGB-UHFFFAOYSA-N 0 0 412.338 5.350 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(OC2CCCC2)cc1 ZINC000222725336 568524861 /nfs/dbraw/zinc/52/48/61/568524861.db2.gz GVNQXGFVBOELLS-UHFFFAOYSA-N 0 0 410.366 6.187 40 0 HKABRN CC1(C)C[C@@H](NC(=O)CSCc2ccc(Cl)cc2Cl)c2ccccc2O1 ZINC000222725500 568524798 /nfs/dbraw/zinc/52/47/98/568524798.db2.gz VJOSQISOOBZZJG-QGZVFWFLSA-N 0 0 410.366 5.645 40 0 HKABRN CC1(C)C[C@H](NC(=O)CSCc2ccc(Cl)cc2Cl)c2ccccc2O1 ZINC000222725559 568524777 /nfs/dbraw/zinc/52/47/77/568524777.db2.gz VJOSQISOOBZZJG-KRWDZBQOSA-N 0 0 410.366 5.645 40 0 HKABRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C ZINC000222726194 568524793 /nfs/dbraw/zinc/52/47/93/568524793.db2.gz LDUKCDACFQKMOF-NHCUHLMSSA-N 0 0 410.974 5.053 40 0 HKABRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C ZINC000222726264 568524805 /nfs/dbraw/zinc/52/48/05/568524805.db2.gz LDUKCDACFQKMOF-RTWAWAEBSA-N 0 0 410.974 5.053 40 0 HKABRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C ZINC000222726326 568524787 /nfs/dbraw/zinc/52/47/87/568524787.db2.gz LDUKCDACFQKMOF-LEWJYISDSA-N 0 0 410.974 5.053 40 0 HKABRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@H]1[C@H](c2ccccn2)NC(=S)N1C ZINC000222726388 568524857 /nfs/dbraw/zinc/52/48/57/568524857.db2.gz LDUKCDACFQKMOF-SFTDATJTSA-N 0 0 410.974 5.053 40 0 HKABRN CCOc1ccc(CCCNC(=O)CSCc2ccc(Cl)cc2Cl)cc1 ZINC000222727478 568524838 /nfs/dbraw/zinc/52/48/38/568524838.db2.gz MUSUHJQRUFDBPS-UHFFFAOYSA-N 0 0 412.382 5.374 40 0 HKABRN Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)CC(C)(C)O2 ZINC000222728000 568524937 /nfs/dbraw/zinc/52/49/37/568524937.db2.gz GYRYNHGWHICYAD-SFHVURJKSA-N 0 0 424.393 5.954 40 0 HKABRN Cc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)CC(C)(C)O2 ZINC000222728057 568524918 /nfs/dbraw/zinc/52/49/18/568524918.db2.gz GYRYNHGWHICYAD-GOSISDBHSA-N 0 0 424.393 5.954 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000222728134 568524899 /nfs/dbraw/zinc/52/48/99/568524899.db2.gz SJBKMDISVBVUFG-SFHVURJKSA-N 0 0 424.393 5.954 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000222728194 568524916 /nfs/dbraw/zinc/52/49/16/568524916.db2.gz SJBKMDISVBVUFG-GOSISDBHSA-N 0 0 424.393 5.954 40 0 HKABRN CC(C)c1ccc(CCCNC(=O)CSCc2ccc(Cl)cc2Cl)cc1 ZINC000222730090 568524879 /nfs/dbraw/zinc/52/48/79/568524879.db2.gz QPRFILHDCXXAEO-UHFFFAOYSA-N 0 0 410.410 6.099 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)NCCCN1CCCc2ccccc21 ZINC000222730270 568524878 /nfs/dbraw/zinc/52/48/78/568524878.db2.gz WQETYACHQNPYKW-UHFFFAOYSA-N 0 0 423.409 5.186 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000222730308 568524881 /nfs/dbraw/zinc/52/48/81/568524881.db2.gz DVPFCULXCWVPKR-HXUWFJFHSA-N 0 0 403.975 5.075 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000222730830 568524891 /nfs/dbraw/zinc/52/48/91/568524891.db2.gz DVPFCULXCWVPKR-FQEVSTJZSA-N 0 0 403.975 5.075 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(OC2CCCC2)cc1 ZINC000222730899 568525002 /nfs/dbraw/zinc/52/50/02/568525002.db2.gz IDQHYGOYMJTVRX-UHFFFAOYSA-N 0 0 410.366 6.187 40 0 HKABRN CC1(C)C[C@@H](NC(=O)CSCc2ccc(Cl)c(Cl)c2)c2ccccc2O1 ZINC000222730991 568525025 /nfs/dbraw/zinc/52/50/25/568525025.db2.gz GGCZSKXQRCLJBH-QGZVFWFLSA-N 0 0 410.366 5.645 40 0 HKABRN CC1(C)C[C@H](NC(=O)CSCc2ccc(Cl)c(Cl)c2)c2ccccc2O1 ZINC000222731066 568524986 /nfs/dbraw/zinc/52/49/86/568524986.db2.gz GGCZSKXQRCLJBH-KRWDZBQOSA-N 0 0 410.366 5.645 40 0 HKABRN CCOc1ccc(CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000222731168 568525050 /nfs/dbraw/zinc/52/50/50/568525050.db2.gz MINYFSNALCXHGR-UHFFFAOYSA-N 0 0 412.382 5.374 40 0 HKABRN Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)CC(C)(C)O2 ZINC000222731730 568524987 /nfs/dbraw/zinc/52/49/87/568524987.db2.gz KOFBSQOJZYYGCD-SFHVURJKSA-N 0 0 424.393 5.954 40 0 HKABRN Cc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)CC(C)(C)O2 ZINC000222731791 568525029 /nfs/dbraw/zinc/52/50/29/568525029.db2.gz KOFBSQOJZYYGCD-GOSISDBHSA-N 0 0 424.393 5.954 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000222731898 568525034 /nfs/dbraw/zinc/52/50/34/568525034.db2.gz UYZPFHMIJNSXQI-SFHVURJKSA-N 0 0 424.393 5.954 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000222731949 568525013 /nfs/dbraw/zinc/52/50/13/568525013.db2.gz UYZPFHMIJNSXQI-GOSISDBHSA-N 0 0 424.393 5.954 40 0 HKABRN CC(C)c1ccc(CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000222733941 568525116 /nfs/dbraw/zinc/52/51/16/568525116.db2.gz JMLBJBHWCDMIHQ-UHFFFAOYSA-N 0 0 410.410 6.099 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)NCCCN1CCCc2ccccc21 ZINC000222734422 568525138 /nfs/dbraw/zinc/52/51/38/568525138.db2.gz YNAWMWWYIHXLLA-UHFFFAOYSA-N 0 0 423.409 5.186 40 0 HKABRN Cc1cccc(CSCC(=O)NCCSCc2ccc(Cl)cc2Cl)c1 ZINC000222736582 568525172 /nfs/dbraw/zinc/52/51/72/568525172.db2.gz POXDHQXYUNERQF-UHFFFAOYSA-N 0 0 414.423 5.585 40 0 HKABRN Cc1cccc(CSCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 ZINC000222736658 568525106 /nfs/dbraw/zinc/52/51/06/568525106.db2.gz DNCYHJPONXCISE-UHFFFAOYSA-N 0 0 414.423 5.585 40 0 HKABRN Cc1cccc(CSCC(=O)NCCSCc2c(Cl)cccc2Cl)c1 ZINC000222737128 568525120 /nfs/dbraw/zinc/52/51/20/568525120.db2.gz QSOMMFHWBIRLPQ-UHFFFAOYSA-N 0 0 414.423 5.585 40 0 HKABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000222737714 568525166 /nfs/dbraw/zinc/52/51/66/568525166.db2.gz SKENXKFKWFQYSG-LJQANCHMSA-N 0 0 401.506 5.550 40 0 HKABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000222737777 568525180 /nfs/dbraw/zinc/52/51/80/568525180.db2.gz SKENXKFKWFQYSG-IBGZPJMESA-N 0 0 401.506 5.550 40 0 HKABRN Cc1cccc(CSCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000222737889 568525178 /nfs/dbraw/zinc/52/51/78/568525178.db2.gz SLWRKEMPMVDYPT-IBGZPJMESA-N 0 0 418.562 5.358 40 0 HKABRN Cc1cccc(CSCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 ZINC000222737945 568525148 /nfs/dbraw/zinc/52/51/48/568525148.db2.gz SLWRKEMPMVDYPT-LJQANCHMSA-N 0 0 418.562 5.358 40 0 HKABRN Cc1cccc(CSCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000222740473 568525205 /nfs/dbraw/zinc/52/52/05/568525205.db2.gz SVURMBRHSYXXMJ-UHFFFAOYSA-N 0 0 405.607 6.335 40 0 HKABRN Cc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222741130 568525234 /nfs/dbraw/zinc/52/52/34/568525234.db2.gz KKSDOKKWIPACMY-NRFANRHFSA-N 0 0 422.613 5.383 40 0 HKABRN Cc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222741193 568525207 /nfs/dbraw/zinc/52/52/07/568525207.db2.gz KKSDOKKWIPACMY-OAQYLSRUSA-N 0 0 422.613 5.383 40 0 HKABRN CCCSc1nnc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)s1 ZINC000222746409 568525463 /nfs/dbraw/zinc/52/54/63/568525463.db2.gz CJNKOQHCYVRGNM-UHFFFAOYSA-N 0 0 408.401 5.219 40 0 HKABRN O=C(NCc1ccc2ccccc2c1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000222748229 568525435 /nfs/dbraw/zinc/52/54/35/568525435.db2.gz CICMLXFBYVNWIX-UHFFFAOYSA-N 0 0 417.961 6.716 40 0 HKABRN O=C(CSCc1ccc(Br)cc1)NCc1ccc2ccccc2c1 ZINC000222750989 568525560 /nfs/dbraw/zinc/52/55/60/568525560.db2.gz MYFFQAFLYGSNEU-UHFFFAOYSA-N 0 0 400.341 5.152 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000222752747 568525585 /nfs/dbraw/zinc/52/55/85/568525585.db2.gz BMBLWCRPWSYXJT-HXUWFJFHSA-N 0 0 403.507 5.463 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000222752806 568525545 /nfs/dbraw/zinc/52/55/45/568525545.db2.gz BMBLWCRPWSYXJT-FQEVSTJZSA-N 0 0 403.507 5.463 40 0 HKABRN CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222756542 568525584 /nfs/dbraw/zinc/52/55/84/568525584.db2.gz QBGYVSSCXDRNEA-ROUUACIJSA-N 0 0 401.944 5.082 40 0 HKABRN CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222756588 568525542 /nfs/dbraw/zinc/52/55/42/568525542.db2.gz QBGYVSSCXDRNEA-MSOLQXFVSA-N 0 0 401.944 5.082 40 0 HKABRN CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222756645 568525607 /nfs/dbraw/zinc/52/56/07/568525607.db2.gz QBGYVSSCXDRNEA-ZWKOTPCHSA-N 0 0 401.944 5.082 40 0 HKABRN CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222756697 568525598 /nfs/dbraw/zinc/52/55/98/568525598.db2.gz QBGYVSSCXDRNEA-QZTJIDSGSA-N 0 0 401.944 5.082 40 0 HKABRN O=C(NCCSCc1c(Cl)cccc1Cl)C1(c2ccccc2)CCOCC1 ZINC000222756723 568525572 /nfs/dbraw/zinc/52/55/72/568525572.db2.gz BFWDKFPSPKYUFU-UHFFFAOYSA-N 0 0 424.393 5.091 40 0 HKABRN CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222759127 568525636 /nfs/dbraw/zinc/52/56/36/568525636.db2.gz JDLQPVHQGUGNGO-ROUUACIJSA-N 0 0 404.322 5.251 40 0 HKABRN CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222759181 568525623 /nfs/dbraw/zinc/52/56/23/568525623.db2.gz JDLQPVHQGUGNGO-MSOLQXFVSA-N 0 0 404.322 5.251 40 0 HKABRN CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222759242 568525628 /nfs/dbraw/zinc/52/56/28/568525628.db2.gz JDLQPVHQGUGNGO-ZWKOTPCHSA-N 0 0 404.322 5.251 40 0 HKABRN CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222759302 568525720 /nfs/dbraw/zinc/52/57/20/568525720.db2.gz JDLQPVHQGUGNGO-QZTJIDSGSA-N 0 0 404.322 5.251 40 0 HKABRN CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222759391 568525639 /nfs/dbraw/zinc/52/56/39/568525639.db2.gz KPMSJYAXKWNNPU-ROUUACIJSA-N 0 0 404.322 5.251 40 0 HKABRN CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222759453 568525643 /nfs/dbraw/zinc/52/56/43/568525643.db2.gz KPMSJYAXKWNNPU-MSOLQXFVSA-N 0 0 404.322 5.251 40 0 HKABRN CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222759508 568525626 /nfs/dbraw/zinc/52/56/26/568525626.db2.gz KPMSJYAXKWNNPU-ZWKOTPCHSA-N 0 0 404.322 5.251 40 0 HKABRN CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222759570 568525699 /nfs/dbraw/zinc/52/56/99/568525699.db2.gz KPMSJYAXKWNNPU-QZTJIDSGSA-N 0 0 404.322 5.251 40 0 HKABRN CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000222759649 568525726 /nfs/dbraw/zinc/52/57/26/568525726.db2.gz ILTXVGZIDVCUBE-ROUUACIJSA-N 0 0 404.322 5.251 40 0 HKABRN CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000222759705 568525712 /nfs/dbraw/zinc/52/57/12/568525712.db2.gz ILTXVGZIDVCUBE-MSOLQXFVSA-N 0 0 404.322 5.251 40 0 HKABRN CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000222759755 568525715 /nfs/dbraw/zinc/52/57/15/568525715.db2.gz ILTXVGZIDVCUBE-ZWKOTPCHSA-N 0 0 404.322 5.251 40 0 HKABRN CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000222759822 568525702 /nfs/dbraw/zinc/52/57/02/568525702.db2.gz ILTXVGZIDVCUBE-QZTJIDSGSA-N 0 0 404.322 5.251 40 0 HKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)Cc2ccc(Cl)cc2F)cc1 ZINC000222762975 568525822 /nfs/dbraw/zinc/52/58/22/568525822.db2.gz IODXAMYZMIMKCX-UHFFFAOYSA-N 0 0 420.267 6.115 40 0 HKABRN C[C@@H](C(=O)NCCC1=CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000222764483 568525738 /nfs/dbraw/zinc/52/57/38/568525738.db2.gz QCSWMEAEZCFALJ-QFIPXVFZSA-N 0 0 418.581 5.043 40 0 HKABRN C[C@H](C(=O)NCCC1=CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000222764540 568525836 /nfs/dbraw/zinc/52/58/36/568525836.db2.gz QCSWMEAEZCFALJ-JOCHJYFZSA-N 0 0 418.581 5.043 40 0 HKABRN O=C(COc1cccc(Cl)c1)NCCSCc1ccc(Cl)cc1Cl ZINC000222765086 568525897 /nfs/dbraw/zinc/52/58/97/568525897.db2.gz CCWBJFMCUHMOBQ-UHFFFAOYSA-N 0 0 404.746 5.075 40 0 HKABRN O=C(COc1cccc(Cl)c1)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000222765174 568525901 /nfs/dbraw/zinc/52/59/01/568525901.db2.gz JOZCBYCNACTWOR-UHFFFAOYSA-N 0 0 404.746 5.075 40 0 HKABRN O=C(COc1cccc(Cl)c1)NCCSCc1c(Cl)cccc1Cl ZINC000222765584 568525859 /nfs/dbraw/zinc/52/58/59/568525859.db2.gz GEANOQZFDQQURJ-UHFFFAOYSA-N 0 0 404.746 5.075 40 0 HKABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000222776154 568526220 /nfs/dbraw/zinc/52/62/20/568526220.db2.gz NXZQASRBMTYHGH-OALUTQOASA-N 0 0 417.365 5.172 40 0 HKABRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000222776209 568526190 /nfs/dbraw/zinc/52/61/90/568526190.db2.gz NXZQASRBMTYHGH-MOPGFXCFSA-N 0 0 417.365 5.172 40 0 HKABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000222776266 568526208 /nfs/dbraw/zinc/52/62/08/568526208.db2.gz NXZQASRBMTYHGH-RBUKOAKNSA-N 0 0 417.365 5.172 40 0 HKABRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000222776327 568526210 /nfs/dbraw/zinc/52/62/10/568526210.db2.gz NXZQASRBMTYHGH-RTBURBONSA-N 0 0 417.365 5.172 40 0 HKABRN Cc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222776789 568526315 /nfs/dbraw/zinc/52/63/15/568526315.db2.gz AQZCRBPLUWUGCG-NRFANRHFSA-N 0 0 422.613 5.383 40 0 HKABRN Cc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222776854 568526321 /nfs/dbraw/zinc/52/63/21/568526321.db2.gz AQZCRBPLUWUGCG-OAQYLSRUSA-N 0 0 422.613 5.383 40 0 HKABRN Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)c(C)c1 ZINC000222778168 568526302 /nfs/dbraw/zinc/52/63/02/568526302.db2.gz CTLBLOYRRNRTEB-AMGIVPHBSA-N 0 0 415.577 6.408 40 0 HKABRN Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)c(C)c1 ZINC000222778238 568526299 /nfs/dbraw/zinc/52/62/99/568526299.db2.gz CTLBLOYRRNRTEB-AJTFRIOCSA-N 0 0 415.577 6.408 40 0 HKABRN Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)c(C)c1 ZINC000222778289 568526314 /nfs/dbraw/zinc/52/63/14/568526314.db2.gz CTLBLOYRRNRTEB-CUNXSJBXSA-N 0 0 415.577 6.408 40 0 HKABRN Cc1ccc([C@H](NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)c(C)c1 ZINC000222778341 568526301 /nfs/dbraw/zinc/52/63/01/568526301.db2.gz CTLBLOYRRNRTEB-WXVAWEFUSA-N 0 0 415.577 6.408 40 0 HKABRN COc1ccccc1[C@@H](C)NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000222780838 568526409 /nfs/dbraw/zinc/52/64/09/568526409.db2.gz CZNJUOQXAYQTFL-GOSISDBHSA-N 0 0 407.535 5.357 40 0 HKABRN COc1ccccc1[C@H](C)NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000222780906 568526388 /nfs/dbraw/zinc/52/63/88/568526388.db2.gz CZNJUOQXAYQTFL-SFHVURJKSA-N 0 0 407.535 5.357 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 ZINC000222781745 568526439 /nfs/dbraw/zinc/52/64/39/568526439.db2.gz RKARCZXDLBTALF-FQEVSTJZSA-N 0 0 422.569 5.541 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 ZINC000222781811 568526422 /nfs/dbraw/zinc/52/64/22/568526422.db2.gz RKARCZXDLBTALF-HXUWFJFHSA-N 0 0 422.569 5.541 40 0 HKABRN CCCCc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 ZINC000222784094 568526411 /nfs/dbraw/zinc/52/64/11/568526411.db2.gz QSYYLSFAXIUCKJ-XLNRJJMWSA-N 0 0 404.535 5.500 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(I)cc2)c1 ZINC000222784548 568526532 /nfs/dbraw/zinc/52/65/32/568526532.db2.gz WWTGPAQDFKKFKM-AWEZNQCLSA-N 0 0 423.294 5.129 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(I)cc2)c1 ZINC000222784602 568526465 /nfs/dbraw/zinc/52/64/65/568526465.db2.gz WWTGPAQDFKKFKM-CQSZACIVSA-N 0 0 423.294 5.129 40 0 HKABRN CC(C)c1ccc(OCC(=O)NCc2ccc3ccccc3c2)c(Br)c1 ZINC000222786699 568526558 /nfs/dbraw/zinc/52/65/58/568526558.db2.gz WUFDTMKBQXEECJ-UHFFFAOYSA-N 0 0 412.327 5.421 40 0 HKABRN O=C(COc1ccc2ccccc2c1Br)NCc1ccc2ccccc2c1 ZINC000222786888 568526514 /nfs/dbraw/zinc/52/65/14/568526514.db2.gz GJGPQRVVEGOACH-UHFFFAOYSA-N 0 0 420.306 5.451 40 0 HKABRN O=C(NCc1ccc2ccccc2c1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000222788150 568526585 /nfs/dbraw/zinc/52/65/85/568526585.db2.gz PGTBBLNZJCGPKM-UHFFFAOYSA-N 0 0 401.893 6.002 40 0 HKABRN COc1ccc(-c2nnc(NC(=O)CC(c3ccccc3)c3ccccc3)s2)cc1 ZINC000222793201 568526701 /nfs/dbraw/zinc/52/67/01/568526701.db2.gz UGWSVBPPPHOHPX-UHFFFAOYSA-N 0 0 415.518 5.374 40 0 HKABRN O=C(NCc1ccc2ccccc2c1)c1ccc(OCCSc2ccccc2)cc1 ZINC000222793380 568526699 /nfs/dbraw/zinc/52/66/99/568526699.db2.gz IVHJGQGYFOBYET-UHFFFAOYSA-N 0 0 413.542 5.941 40 0 HKABRN O=C(NCc1ccc2ccccc2c1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000222800495 568526807 /nfs/dbraw/zinc/52/68/07/568526807.db2.gz BSHOHAYCOMYQBW-UHFFFAOYSA-N 0 0 410.920 5.161 40 0 HKABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222801198 568526881 /nfs/dbraw/zinc/52/68/81/568526881.db2.gz OWEIMURTPBYQLS-OALUTQOASA-N 0 0 415.971 5.472 40 0 HKABRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222801260 568526866 /nfs/dbraw/zinc/52/68/66/568526866.db2.gz OWEIMURTPBYQLS-MOPGFXCFSA-N 0 0 415.971 5.472 40 0 HKABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222801324 568526840 /nfs/dbraw/zinc/52/68/40/568526840.db2.gz OWEIMURTPBYQLS-RBUKOAKNSA-N 0 0 415.971 5.472 40 0 HKABRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000222801387 568526815 /nfs/dbraw/zinc/52/68/15/568526815.db2.gz OWEIMURTPBYQLS-RTBURBONSA-N 0 0 415.971 5.472 40 0 HKABRN O=C(NCc1ccc2ccccc2c1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000222803563 568526876 /nfs/dbraw/zinc/52/68/76/568526876.db2.gz KSNJPLNRUNBPIX-UHFFFAOYSA-N 0 0 401.893 6.002 40 0 HKABRN O=C(NCc1ccc2ccccc2c1)c1cccc(OCc2ccccc2Cl)c1 ZINC000222803835 568526817 /nfs/dbraw/zinc/52/68/17/568526817.db2.gz WKMLKJXIQONWPR-UHFFFAOYSA-N 0 0 401.893 6.002 40 0 HKABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222803866 568526785 /nfs/dbraw/zinc/52/67/85/568526785.db2.gz UOEBLZNOWNQHCJ-OALUTQOASA-N 0 0 418.349 5.641 40 0 HKABRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222803923 568526836 /nfs/dbraw/zinc/52/68/36/568526836.db2.gz UOEBLZNOWNQHCJ-MOPGFXCFSA-N 0 0 418.349 5.641 40 0 HKABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222803986 568526851 /nfs/dbraw/zinc/52/68/51/568526851.db2.gz UOEBLZNOWNQHCJ-RBUKOAKNSA-N 0 0 418.349 5.641 40 0 HKABRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000222804047 568526786 /nfs/dbraw/zinc/52/67/86/568526786.db2.gz UOEBLZNOWNQHCJ-RTBURBONSA-N 0 0 418.349 5.641 40 0 HKABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222804131 568526826 /nfs/dbraw/zinc/52/68/26/568526826.db2.gz YIJYOHVTTVTURC-OALUTQOASA-N 0 0 418.349 5.641 40 0 HKABRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222804194 568526801 /nfs/dbraw/zinc/52/68/01/568526801.db2.gz YIJYOHVTTVTURC-MOPGFXCFSA-N 0 0 418.349 5.641 40 0 HKABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222804249 568526813 /nfs/dbraw/zinc/52/68/13/568526813.db2.gz YIJYOHVTTVTURC-RBUKOAKNSA-N 0 0 418.349 5.641 40 0 HKABRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000222804304 568526793 /nfs/dbraw/zinc/52/67/93/568526793.db2.gz YIJYOHVTTVTURC-RTBURBONSA-N 0 0 418.349 5.641 40 0 HKABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000222804391 568526792 /nfs/dbraw/zinc/52/67/92/568526792.db2.gz IEXOMWUTYONIFH-OALUTQOASA-N 0 0 418.349 5.641 40 0 HKABRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000222804453 568526929 /nfs/dbraw/zinc/52/69/29/568526929.db2.gz IEXOMWUTYONIFH-MOPGFXCFSA-N 0 0 418.349 5.641 40 0 HKABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000222804508 568526968 /nfs/dbraw/zinc/52/69/68/568526968.db2.gz IEXOMWUTYONIFH-RBUKOAKNSA-N 0 0 418.349 5.641 40 0 HKABRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000222804572 568526933 /nfs/dbraw/zinc/52/69/33/568526933.db2.gz IEXOMWUTYONIFH-RTBURBONSA-N 0 0 418.349 5.641 40 0 HKABRN CC(C)c1ccccc1OCC(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000222805851 568526940 /nfs/dbraw/zinc/52/69/40/568526940.db2.gz BEOGIBJMXHWWPO-UHFFFAOYSA-N 0 0 412.382 5.545 40 0 HKABRN CC(C)c1ccccc1OCC(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000222805916 568526949 /nfs/dbraw/zinc/52/69/49/568526949.db2.gz WNEPOZZGVVRZSI-UHFFFAOYSA-N 0 0 412.382 5.545 40 0 HKABRN CC(C)c1ccccc1OCC(=O)NCCSCc1c(Cl)cccc1Cl ZINC000222806436 568526978 /nfs/dbraw/zinc/52/69/78/568526978.db2.gz UXXUJTQZOQVIEY-UHFFFAOYSA-N 0 0 412.382 5.545 40 0 HKABRN CC(C)c1ccccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000222807995 568526980 /nfs/dbraw/zinc/52/69/80/568526980.db2.gz IIWPQAIXWZZOOO-UHFFFAOYSA-N 0 0 403.566 6.295 40 0 HKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000222812776 568527163 /nfs/dbraw/zinc/52/71/63/568527163.db2.gz HOACXXKTMBBKOY-OAHLLOKOSA-N 0 0 408.310 5.308 40 0 HKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000222812819 568527194 /nfs/dbraw/zinc/52/71/94/568527194.db2.gz HOACXXKTMBBKOY-HNNXBMFYSA-N 0 0 408.310 5.308 40 0 HKABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000222816270 568527190 /nfs/dbraw/zinc/52/71/90/568527190.db2.gz OJZNSJGYFCSTHF-OAHLLOKOSA-N 0 0 421.547 5.390 40 0 HKABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000222816326 568527282 /nfs/dbraw/zinc/52/72/82/568527282.db2.gz OJZNSJGYFCSTHF-HNNXBMFYSA-N 0 0 421.547 5.390 40 0 HKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000222820218 568527264 /nfs/dbraw/zinc/52/72/64/568527264.db2.gz KTYJBOVAIBZGOA-PMACEKPBSA-N 0 0 414.937 5.046 40 0 HKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000222820275 568527263 /nfs/dbraw/zinc/52/72/63/568527263.db2.gz KTYJBOVAIBZGOA-UXHICEINSA-N 0 0 414.937 5.046 40 0 HKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000222820323 568527304 /nfs/dbraw/zinc/52/73/04/568527304.db2.gz KTYJBOVAIBZGOA-VQTJNVASSA-N 0 0 414.937 5.046 40 0 HKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000222820380 568527283 /nfs/dbraw/zinc/52/72/83/568527283.db2.gz KTYJBOVAIBZGOA-WOJBJXKFSA-N 0 0 414.937 5.046 40 0 HKABRN O=C(NCc1ccc2ccccc2c1)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000222823354 568527419 /nfs/dbraw/zinc/52/74/19/568527419.db2.gz MEHHYNUCRDCNOO-UHFFFAOYSA-N 0 0 410.920 5.161 40 0 HKABRN Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 ZINC000222824157 568527493 /nfs/dbraw/zinc/52/74/93/568527493.db2.gz QNJUNFOAXIYBML-NHCUHLMSSA-N 0 0 409.580 5.515 40 0 HKABRN Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 ZINC000222824213 568527543 /nfs/dbraw/zinc/52/75/43/568527543.db2.gz QNJUNFOAXIYBML-RTWAWAEBSA-N 0 0 409.580 5.515 40 0 HKABRN Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 ZINC000222824267 568527499 /nfs/dbraw/zinc/52/74/99/568527499.db2.gz QNJUNFOAXIYBML-LEWJYISDSA-N 0 0 409.580 5.515 40 0 HKABRN Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 ZINC000222824315 568527440 /nfs/dbraw/zinc/52/74/40/568527440.db2.gz QNJUNFOAXIYBML-SFTDATJTSA-N 0 0 409.580 5.515 40 0 HKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000222825025 568527449 /nfs/dbraw/zinc/52/74/49/568527449.db2.gz DGRJFCWWSWUPBM-ZDUSSCGKSA-N 0 0 401.919 5.388 40 0 HKABRN CC(C)c1ccccc1O[C@H](C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000222825086 568527535 /nfs/dbraw/zinc/52/75/35/568527535.db2.gz DGRJFCWWSWUPBM-CYBMUJFWSA-N 0 0 401.919 5.388 40 0 HKABRN O=C(NCc1cccc2ccccc21)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000222827106 568527609 /nfs/dbraw/zinc/52/76/09/568527609.db2.gz ZZIAKOWRGDSCMC-UHFFFAOYSA-N 0 0 417.961 6.716 40 0 HKABRN O=C(CSCc1ccc(Br)cc1)NCc1cccc2ccccc21 ZINC000222830036 568527768 /nfs/dbraw/zinc/52/77/68/568527768.db2.gz MTRVDAUSAPTGAD-UHFFFAOYSA-N 0 0 400.341 5.152 40 0 HKABRN COc1ccc(-c2nnc(NC(=O)c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000222830459 568527700 /nfs/dbraw/zinc/52/77/00/568527700.db2.gz VBCOTZDHUDRZJF-UHFFFAOYSA-N 0 0 417.490 5.045 40 0 HKABRN O=C(COc1ccc2ccccc2c1)NCCSCc1ccc(Cl)cc1Cl ZINC000222832267 568527724 /nfs/dbraw/zinc/52/77/24/568527724.db2.gz IHJAKQWCNLQTPD-UHFFFAOYSA-N 0 0 420.361 5.575 40 0 HKABRN O=C(COc1ccc2ccccc2c1)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000222832366 568527754 /nfs/dbraw/zinc/52/77/54/568527754.db2.gz DIVWZFCDVIZYNR-UHFFFAOYSA-N 0 0 420.361 5.575 40 0 HKABRN O=C(COc1ccc2ccccc2c1)NCCSCc1c(Cl)cccc1Cl ZINC000222832706 568527774 /nfs/dbraw/zinc/52/77/74/568527774.db2.gz IYGGGNDIMYMFKY-UHFFFAOYSA-N 0 0 420.361 5.575 40 0 HKABRN O=C(COc1ccc2ccccc2c1)NCCSCc1c(F)cccc1Cl ZINC000222832791 568527739 /nfs/dbraw/zinc/52/77/39/568527739.db2.gz RGACOEFBKFBKOW-UHFFFAOYSA-N 0 0 403.906 5.061 40 0 HKABRN O=C(COc1ccc2ccccc2c1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000222833321 568527765 /nfs/dbraw/zinc/52/77/65/568527765.db2.gz VWQQSGOBLDWUAH-UHFFFAOYSA-N 0 0 411.545 6.325 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccccc1C ZINC000222834629 568527878 /nfs/dbraw/zinc/52/78/78/568527878.db2.gz HBYYZLBSJSSKIF-NCJDQSJGSA-N 0 0 404.535 5.095 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccccc1C ZINC000222834701 568527855 /nfs/dbraw/zinc/52/78/55/568527855.db2.gz HBYYZLBSJSSKIF-YVUGPFRESA-N 0 0 404.535 5.095 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)cc1 ZINC000222835157 568527859 /nfs/dbraw/zinc/52/78/59/568527859.db2.gz SFDSXOPMRUBWMO-HSZRJFAPSA-N 0 0 409.526 5.318 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)cc1 ZINC000222835220 568527877 /nfs/dbraw/zinc/52/78/77/568527877.db2.gz SFDSXOPMRUBWMO-QHCPKHFHSA-N 0 0 409.526 5.318 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)Cc3ccc(F)cc3)c2)cc1 ZINC000222839329 568527946 /nfs/dbraw/zinc/52/79/46/568527946.db2.gz ZHPUWSYCIQGJPT-UHFFFAOYSA-N 0 0 404.485 5.557 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000222841410 568528097 /nfs/dbraw/zinc/52/80/97/568528097.db2.gz FESBKAYSCSEFMN-JOCHJYFZSA-N 0 0 418.002 5.426 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000222841476 568528085 /nfs/dbraw/zinc/52/80/85/568528085.db2.gz FESBKAYSCSEFMN-QFIPXVFZSA-N 0 0 418.002 5.426 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1Cl ZINC000222841585 568528066 /nfs/dbraw/zinc/52/80/66/568528066.db2.gz WWHQIECQQCMGEW-KRWDZBQOSA-N 0 0 411.954 6.347 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1Cl ZINC000222841640 568528076 /nfs/dbraw/zinc/52/80/76/568528076.db2.gz WWHQIECQQCMGEW-QGZVFWFLSA-N 0 0 411.954 6.347 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)ccc1Cl ZINC000222842901 568528108 /nfs/dbraw/zinc/52/81/08/568528108.db2.gz CYQMWVHICZFIBO-ZDUSSCGKSA-N 0 0 416.345 5.258 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)ccc1Cl ZINC000222842965 568528112 /nfs/dbraw/zinc/52/81/12/568528112.db2.gz CYQMWVHICZFIBO-CYBMUJFWSA-N 0 0 416.345 5.258 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1Cl ZINC000222843253 568528073 /nfs/dbraw/zinc/52/80/73/568528073.db2.gz REIWGSAWDNYDTD-INIZCTEOSA-N 0 0 414.933 5.117 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1Cl ZINC000222843326 568528114 /nfs/dbraw/zinc/52/81/14/568528114.db2.gz REIWGSAWDNYDTD-MRXNPFEDSA-N 0 0 414.933 5.117 40 0 HKABRN Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)ccc1Cl ZINC000222844247 568528176 /nfs/dbraw/zinc/52/81/76/568528176.db2.gz VPIMTSJUCQTLCF-NHCUHLMSSA-N 0 0 410.974 5.215 40 0 HKABRN Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)ccc1Cl ZINC000222844300 568528184 /nfs/dbraw/zinc/52/81/84/568528184.db2.gz VPIMTSJUCQTLCF-RTWAWAEBSA-N 0 0 410.974 5.215 40 0 HKABRN Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)ccc1Cl ZINC000222844346 568528219 /nfs/dbraw/zinc/52/82/19/568528219.db2.gz VPIMTSJUCQTLCF-LEWJYISDSA-N 0 0 410.974 5.215 40 0 HKABRN Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)ccc1Cl ZINC000222844411 568528207 /nfs/dbraw/zinc/52/82/07/568528207.db2.gz VPIMTSJUCQTLCF-SFTDATJTSA-N 0 0 410.974 5.215 40 0 HKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000222844717 568528181 /nfs/dbraw/zinc/52/81/81/568528181.db2.gz CZRUNKKFPJPWLK-ZEQRLZLVSA-N 0 0 412.562 5.406 40 0 HKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000222844781 568528197 /nfs/dbraw/zinc/52/81/97/568528197.db2.gz CZRUNKKFPJPWLK-RPWUZVMVSA-N 0 0 412.562 5.406 40 0 HKABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000222844843 568528172 /nfs/dbraw/zinc/52/81/72/568528172.db2.gz CZRUNKKFPJPWLK-BJKOFHAPSA-N 0 0 412.562 5.406 40 0 HKABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000222844907 568528188 /nfs/dbraw/zinc/52/81/88/568528188.db2.gz CZRUNKKFPJPWLK-DNQXCXABSA-N 0 0 412.562 5.406 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1Cl ZINC000222845280 568528204 /nfs/dbraw/zinc/52/82/04/568528204.db2.gz BGDHYHSNVCOBNS-HNNXBMFYSA-N 0 0 416.304 6.500 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1Cl ZINC000222845332 568528218 /nfs/dbraw/zinc/52/82/18/568528218.db2.gz BGDHYHSNVCOBNS-OAHLLOKOSA-N 0 0 416.304 6.500 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)ccc1Cl ZINC000222846583 568528178 /nfs/dbraw/zinc/52/81/78/568528178.db2.gz LOBNSFBSTIFAKM-KRWDZBQOSA-N 0 0 414.933 5.071 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)ccc1Cl ZINC000222846653 568528331 /nfs/dbraw/zinc/52/83/31/568528331.db2.gz LOBNSFBSTIFAKM-QGZVFWFLSA-N 0 0 414.933 5.071 40 0 HKABRN CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 ZINC000222847205 568528321 /nfs/dbraw/zinc/52/83/21/568528321.db2.gz XWEXBAGKYPTHCA-FGZHOGPDSA-N 0 0 407.539 5.121 40 0 HKABRN CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 ZINC000222847265 568528286 /nfs/dbraw/zinc/52/82/86/568528286.db2.gz XWEXBAGKYPTHCA-YADHBBJMSA-N 0 0 407.539 5.121 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)CSCc2cccc(Cl)c2)c2ccccc2O1 ZINC000222847294 568528283 /nfs/dbraw/zinc/52/82/83/568528283.db2.gz STTBYAJWURDLSS-LJQANCHMSA-N 0 0 403.975 5.772 40 0 HKABRN CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 ZINC000222847320 568528274 /nfs/dbraw/zinc/52/82/74/568528274.db2.gz XWEXBAGKYPTHCA-FCHUYYIVSA-N 0 0 407.539 5.121 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)CSCc2cccc(Cl)c2)c2ccccc2O1 ZINC000222847356 568528332 /nfs/dbraw/zinc/52/83/32/568528332.db2.gz STTBYAJWURDLSS-IBGZPJMESA-N 0 0 403.975 5.772 40 0 HKABRN CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 ZINC000222847383 568528267 /nfs/dbraw/zinc/52/82/67/568528267.db2.gz XWEXBAGKYPTHCA-VXKWHMMOSA-N 0 0 407.539 5.121 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1Cl ZINC000222848186 568528423 /nfs/dbraw/zinc/52/84/23/568528423.db2.gz JKGASVREZYJWCC-BALBBAFXSA-N 0 0 423.984 6.522 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1Cl ZINC000222848243 568528419 /nfs/dbraw/zinc/52/84/19/568528419.db2.gz JKGASVREZYJWCC-ZFGQVMFLSA-N 0 0 423.984 6.522 40 0 HKABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 ZINC000222849406 568528366 /nfs/dbraw/zinc/52/83/66/568528366.db2.gz SKKGATWQUANGPZ-NHCUHLMSSA-N 0 0 411.958 5.684 40 0 HKABRN Cc1c(Cl)cccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 ZINC000222849456 568528447 /nfs/dbraw/zinc/52/84/47/568528447.db2.gz SKKGATWQUANGPZ-RTWAWAEBSA-N 0 0 411.958 5.684 40 0 HKABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)o1 ZINC000222849516 568528363 /nfs/dbraw/zinc/52/83/63/568528363.db2.gz SKKGATWQUANGPZ-LEWJYISDSA-N 0 0 411.958 5.684 40 0 HKABRN Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)o1 ZINC000222849572 568528400 /nfs/dbraw/zinc/52/84/00/568528400.db2.gz SKKGATWQUANGPZ-SFTDATJTSA-N 0 0 411.958 5.684 40 0 HKABRN O=C(CCSc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000222849654 568528416 /nfs/dbraw/zinc/52/84/16/568528416.db2.gz OXMUMEJXGCGURC-UHFFFAOYSA-N 0 0 410.351 5.633 40 0 HKABRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 ZINC000222850761 568528381 /nfs/dbraw/zinc/52/83/81/568528381.db2.gz DATLIQAAIZEQOZ-NHCUHLMSSA-N 0 0 411.958 5.684 40 0 HKABRN Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 ZINC000222850822 568528368 /nfs/dbraw/zinc/52/83/68/568528368.db2.gz DATLIQAAIZEQOZ-RTWAWAEBSA-N 0 0 411.958 5.684 40 0 HKABRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)o1 ZINC000222850877 568528432 /nfs/dbraw/zinc/52/84/32/568528432.db2.gz DATLIQAAIZEQOZ-LEWJYISDSA-N 0 0 411.958 5.684 40 0 HKABRN Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)o1 ZINC000222850929 568528421 /nfs/dbraw/zinc/52/84/21/568528421.db2.gz DATLIQAAIZEQOZ-SFTDATJTSA-N 0 0 411.958 5.684 40 0 HKABRN Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1Cl ZINC000222851292 568528386 /nfs/dbraw/zinc/52/83/86/568528386.db2.gz UHEKLYKOWCKPOY-NHCUHLMSSA-N 0 0 411.958 5.684 40 0 HKABRN Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1Cl ZINC000222851349 568528373 /nfs/dbraw/zinc/52/83/73/568528373.db2.gz UHEKLYKOWCKPOY-RTWAWAEBSA-N 0 0 411.958 5.684 40 0 HKABRN Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1Cl ZINC000222851414 568528431 /nfs/dbraw/zinc/52/84/31/568528431.db2.gz UHEKLYKOWCKPOY-LEWJYISDSA-N 0 0 411.958 5.684 40 0 HKABRN Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1Cl ZINC000222851496 568528414 /nfs/dbraw/zinc/52/84/14/568528414.db2.gz UHEKLYKOWCKPOY-SFTDATJTSA-N 0 0 411.958 5.684 40 0 HKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C(C)C ZINC000222854409 568528483 /nfs/dbraw/zinc/52/84/83/568528483.db2.gz VSMVKGVIPWHDOQ-DHIUTWEWSA-N 0 0 404.583 5.178 40 0 HKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C(C)C ZINC000222854471 568528501 /nfs/dbraw/zinc/52/85/01/568528501.db2.gz VSMVKGVIPWHDOQ-PKTZIBPZSA-N 0 0 404.583 5.178 40 0 HKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C(C)C ZINC000222854531 568528476 /nfs/dbraw/zinc/52/84/76/568528476.db2.gz VSMVKGVIPWHDOQ-XZOQPEGZSA-N 0 0 404.583 5.178 40 0 HKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@H](c2ccccn2)NC(=S)N1C(C)C ZINC000222854586 568528527 /nfs/dbraw/zinc/52/85/27/568528527.db2.gz VSMVKGVIPWHDOQ-GOTSBHOMSA-N 0 0 404.583 5.178 40 0 HKABRN O=C(NCc1cccc(C(F)(F)F)c1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000222856669 568528651 /nfs/dbraw/zinc/52/86/51/568528651.db2.gz JKRRUDIHABWAGW-XSFVSMFZSA-N 0 0 415.842 6.216 40 0 HKABRN Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(Cl)cc1F)CC(C)(C)O2 ZINC000222859570 568528758 /nfs/dbraw/zinc/52/87/58/568528758.db2.gz HBSNYFAXMNYTNX-SFHVURJKSA-N 0 0 407.938 5.439 40 0 HKABRN Cc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc(Cl)cc1F)CC(C)(C)O2 ZINC000222859634 568528739 /nfs/dbraw/zinc/52/87/39/568528739.db2.gz HBSNYFAXMNYTNX-GOSISDBHSA-N 0 0 407.938 5.439 40 0 HKABRN CC(C)c1ccc(OCC(=O)NCc2cccc3ccccc32)c(Br)c1 ZINC000222863420 568528847 /nfs/dbraw/zinc/52/88/47/568528847.db2.gz UEBPCJMSMWAHGC-UHFFFAOYSA-N 0 0 412.327 5.421 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1F)Nc1ccccc1C(=O)c1ccccc1 ZINC000222863591 568528867 /nfs/dbraw/zinc/52/88/67/568528867.db2.gz DEEWNKPQYQGBOT-UHFFFAOYSA-N 0 0 413.901 5.582 40 0 HKABRN O=C(COc1ccc2ccccc2c1Br)NCc1cccc2ccccc21 ZINC000222863601 568528877 /nfs/dbraw/zinc/52/88/77/568528877.db2.gz OQFDUAZJNMFNAT-UHFFFAOYSA-N 0 0 420.306 5.451 40 0 HKABRN O=C(NCc1cccc2ccccc21)c1ccc(OCc2ccccc2Cl)cc1 ZINC000222864897 568529003 /nfs/dbraw/zinc/52/90/03/568529003.db2.gz DEOLZCKIEUVSDF-UHFFFAOYSA-N 0 0 401.893 6.002 40 0 HKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000222865116 568528958 /nfs/dbraw/zinc/52/89/58/568528958.db2.gz QLHMLBWXKJUWAU-PMACEKPBSA-N 0 0 414.937 5.047 40 0 HKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000222865179 568528990 /nfs/dbraw/zinc/52/89/90/568528990.db2.gz QLHMLBWXKJUWAU-UXHICEINSA-N 0 0 414.937 5.047 40 0 HKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000222865238 568528967 /nfs/dbraw/zinc/52/89/67/568528967.db2.gz QLHMLBWXKJUWAU-VQTJNVASSA-N 0 0 414.937 5.047 40 0 HKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000222865294 568528959 /nfs/dbraw/zinc/52/89/59/568528959.db2.gz QLHMLBWXKJUWAU-WOJBJXKFSA-N 0 0 414.937 5.047 40 0 HKABRN Cc1ccc(-c2nnc(NC(=O)CSCc3c(Cl)cccc3Cl)s2)cc1 ZINC000222867065 568528974 /nfs/dbraw/zinc/52/89/74/568528974.db2.gz WKWPPBOMNULDLK-UHFFFAOYSA-N 0 0 424.378 5.692 40 0 HKABRN CC(C)Sc1nnc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)s1 ZINC000222867595 568528933 /nfs/dbraw/zinc/52/89/33/568528933.db2.gz HJNDPQRJQRUWRL-UHFFFAOYSA-N 0 0 408.401 5.217 40 0 HKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(C)cc2)o1 ZINC000222869041 568529092 /nfs/dbraw/zinc/52/90/92/568529092.db2.gz WRVRTDGSIBRZNM-SFTDATJTSA-N 0 0 409.580 5.517 40 0 HKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(C)cc2)o1 ZINC000222869097 568529097 /nfs/dbraw/zinc/52/90/97/568529097.db2.gz WRVRTDGSIBRZNM-RTWAWAEBSA-N 0 0 409.580 5.517 40 0 HKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(C)cc2)o1 ZINC000222869179 568529091 /nfs/dbraw/zinc/52/90/91/568529091.db2.gz WRVRTDGSIBRZNM-LEWJYISDSA-N 0 0 409.580 5.517 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)NCC1(c2ccccc2)CCOCC1 ZINC000222869188 568529107 /nfs/dbraw/zinc/52/91/07/568529107.db2.gz TXKVUSKGVOOCDS-UHFFFAOYSA-N 0 0 424.393 5.091 40 0 HKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(C)cc2)o1 ZINC000222869228 568529099 /nfs/dbraw/zinc/52/90/99/568529099.db2.gz WRVRTDGSIBRZNM-NHCUHLMSSA-N 0 0 409.580 5.517 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C)c1ccccc1C ZINC000222869740 568529085 /nfs/dbraw/zinc/52/90/85/568529085.db2.gz FQDGJZTWGRTEDP-LEYFIJQKSA-N 0 0 418.562 5.403 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C)c1ccccc1C ZINC000222869804 568529123 /nfs/dbraw/zinc/52/91/23/568529123.db2.gz FQDGJZTWGRTEDP-NRPPHEFGSA-N 0 0 418.562 5.403 40 0 HKABRN O=C(NCc1cccc2ccccc21)c1ccc(OCCSc2ccccc2)cc1 ZINC000222869964 568529109 /nfs/dbraw/zinc/52/91/09/568529109.db2.gz BZHKANUYHLFLRY-UHFFFAOYSA-N 0 0 413.542 5.941 40 0 HKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000222872072 568529256 /nfs/dbraw/zinc/52/92/56/568529256.db2.gz OJVUBAWASZSPKD-WOJBJXKFSA-N 0 0 401.934 5.696 40 0 HKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000222872138 568529229 /nfs/dbraw/zinc/52/92/29/568529229.db2.gz OJVUBAWASZSPKD-UXHICEINSA-N 0 0 401.934 5.696 40 0 HKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 ZINC000222872194 568529188 /nfs/dbraw/zinc/52/91/88/568529188.db2.gz OJVUBAWASZSPKD-VQTJNVASSA-N 0 0 401.934 5.696 40 0 HKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 ZINC000222872238 568529227 /nfs/dbraw/zinc/52/92/27/568529227.db2.gz OJVUBAWASZSPKD-PMACEKPBSA-N 0 0 401.934 5.696 40 0 HKABRN O=C(NCc1cccc2ccccc21)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000222876587 568529361 /nfs/dbraw/zinc/52/93/61/568529361.db2.gz CRFOPHALTCVDPA-UHFFFAOYSA-N 0 0 410.920 5.161 40 0 HKABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000222878578 568529325 /nfs/dbraw/zinc/52/93/25/568529325.db2.gz RHLZYZKKEAQWTQ-DEOSSOPVSA-N 0 0 405.563 6.337 40 0 HKABRN CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000222878641 568529327 /nfs/dbraw/zinc/52/93/27/568529327.db2.gz RHLZYZKKEAQWTQ-XMMPIXPASA-N 0 0 405.563 6.337 40 0 HKABRN O=C(NCc1cccc2ccccc21)c1cc(Cl)ccc1OCc1ccccc1 ZINC000222879643 568529473 /nfs/dbraw/zinc/52/94/73/568529473.db2.gz ZLVBINIYIFSKGU-UHFFFAOYSA-N 0 0 401.893 6.002 40 0 HKABRN O=C(NCc1cccc2ccccc21)c1cccc(OCc2ccccc2Cl)c1 ZINC000222879916 568529462 /nfs/dbraw/zinc/52/94/62/568529462.db2.gz HNMFEDKTDDNQNU-UHFFFAOYSA-N 0 0 401.893 6.002 40 0 HKABRN CCc1ccc(O[C@@H](CC)C(=O)NCCSCc2c(F)cccc2Cl)cc1 ZINC000222880176 568529455 /nfs/dbraw/zinc/52/94/55/568529455.db2.gz LWOXNEHZOCUEGQ-FQEVSTJZSA-N 0 0 409.954 5.249 40 0 HKABRN CCc1ccc(O[C@H](CC)C(=O)NCCSCc2c(F)cccc2Cl)cc1 ZINC000222880231 568529406 /nfs/dbraw/zinc/52/94/06/568529406.db2.gz LWOXNEHZOCUEGQ-HXUWFJFHSA-N 0 0 409.954 5.249 40 0 HKABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000222881046 568529380 /nfs/dbraw/zinc/52/93/80/568529380.db2.gz KADZOCZUZKOOPP-QHCPKHFHSA-N 0 0 408.542 5.108 40 0 HKABRN CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000222881107 568529392 /nfs/dbraw/zinc/52/93/92/568529392.db2.gz KADZOCZUZKOOPP-HSZRJFAPSA-N 0 0 408.542 5.108 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc(CC)cc2)sc2c1CCCC2 ZINC000222884193 568529581 /nfs/dbraw/zinc/52/95/81/568529581.db2.gz TUUBCTMEMHENSD-GOSISDBHSA-N 0 0 415.555 5.162 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc(CC)cc2)sc2c1CCCC2 ZINC000222884249 568529501 /nfs/dbraw/zinc/52/95/01/568529501.db2.gz TUUBCTMEMHENSD-SFHVURJKSA-N 0 0 415.555 5.162 40 0 HKABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000222885490 568529514 /nfs/dbraw/zinc/52/95/14/568529514.db2.gz MAQSBXONCQWMEE-QFIPXVFZSA-N 0 0 409.913 6.491 40 0 HKABRN CCc1ccc(O[C@H](CC)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000222885553 568529557 /nfs/dbraw/zinc/52/95/57/568529557.db2.gz MAQSBXONCQWMEE-JOCHJYFZSA-N 0 0 409.913 6.491 40 0 HKABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000222887674 568529651 /nfs/dbraw/zinc/52/96/51/568529651.db2.gz RVQJYIQOUBDXBW-QHCPKHFHSA-N 0 0 408.542 5.061 40 0 HKABRN CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000222887730 568529617 /nfs/dbraw/zinc/52/96/17/568529617.db2.gz RVQJYIQOUBDXBW-HSZRJFAPSA-N 0 0 408.542 5.061 40 0 HKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)c(C)c1 ZINC000222889741 568529743 /nfs/dbraw/zinc/52/97/43/568529743.db2.gz HYDLVKXTIPILNW-SFTDATJTSA-N 0 0 410.974 5.217 40 0 HKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)c(C)c1 ZINC000222889798 568529720 /nfs/dbraw/zinc/52/97/20/568529720.db2.gz HYDLVKXTIPILNW-RTWAWAEBSA-N 0 0 410.974 5.217 40 0 HKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)c(C)c1 ZINC000222889850 568529728 /nfs/dbraw/zinc/52/97/28/568529728.db2.gz HYDLVKXTIPILNW-LEWJYISDSA-N 0 0 410.974 5.217 40 0 HKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)c(C)c1 ZINC000222889911 568529705 /nfs/dbraw/zinc/52/97/05/568529705.db2.gz HYDLVKXTIPILNW-NHCUHLMSSA-N 0 0 410.974 5.217 40 0 HKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000222890257 568529742 /nfs/dbraw/zinc/52/97/42/568529742.db2.gz GCRXTZBSEPXFMV-ZEQRLZLVSA-N 0 0 412.562 5.408 40 0 HKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000222890326 568529707 /nfs/dbraw/zinc/52/97/07/568529707.db2.gz GCRXTZBSEPXFMV-RPWUZVMVSA-N 0 0 412.562 5.408 40 0 HKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000222890396 568529763 /nfs/dbraw/zinc/52/97/63/568529763.db2.gz GCRXTZBSEPXFMV-BJKOFHAPSA-N 0 0 412.562 5.408 40 0 HKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000222890453 568529752 /nfs/dbraw/zinc/52/97/52/568529752.db2.gz GCRXTZBSEPXFMV-DNQXCXABSA-N 0 0 412.562 5.408 40 0 HKABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000222890498 568529711 /nfs/dbraw/zinc/52/97/11/568529711.db2.gz NNEPJCZZCQXDPR-MFWYUJQYSA-N 0 0 417.593 6.513 40 0 HKABRN CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000222890556 568529750 /nfs/dbraw/zinc/52/97/50/568529750.db2.gz NNEPJCZZCQXDPR-AUJBFMOVSA-N 0 0 417.593 6.513 40 0 HKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(OCC)cc2)o1 ZINC000222892733 568529839 /nfs/dbraw/zinc/52/98/39/568529839.db2.gz BTDQJLGTEBHLSS-VXKWHMMOSA-N 0 0 407.539 5.123 40 0 HKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(OCC)cc2)o1 ZINC000222892794 568529834 /nfs/dbraw/zinc/52/98/34/568529834.db2.gz BTDQJLGTEBHLSS-YADHBBJMSA-N 0 0 407.539 5.123 40 0 HKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(OCC)cc2)o1 ZINC000222892853 568529865 /nfs/dbraw/zinc/52/98/65/568529865.db2.gz BTDQJLGTEBHLSS-FCHUYYIVSA-N 0 0 407.539 5.123 40 0 HKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(OCC)cc2)o1 ZINC000222892905 568529871 /nfs/dbraw/zinc/52/98/71/568529871.db2.gz BTDQJLGTEBHLSS-FGZHOGPDSA-N 0 0 407.539 5.123 40 0 HKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2C)o1 ZINC000222894976 568529847 /nfs/dbraw/zinc/52/98/47/568529847.db2.gz LNNMRQZUBUZCMF-SFTDATJTSA-N 0 0 411.958 5.686 40 0 HKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2C)o1 ZINC000222895044 568529832 /nfs/dbraw/zinc/52/98/32/568529832.db2.gz LNNMRQZUBUZCMF-RTWAWAEBSA-N 0 0 411.958 5.686 40 0 HKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2C)o1 ZINC000222895116 568529877 /nfs/dbraw/zinc/52/98/77/568529877.db2.gz LNNMRQZUBUZCMF-LEWJYISDSA-N 0 0 411.958 5.686 40 0 HKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2C)o1 ZINC000222895169 568529868 /nfs/dbraw/zinc/52/98/68/568529868.db2.gz LNNMRQZUBUZCMF-NHCUHLMSSA-N 0 0 411.958 5.686 40 0 HKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(Cl)ccc2C)o1 ZINC000222896379 568529998 /nfs/dbraw/zinc/52/99/98/568529998.db2.gz SQFVYQLVDFDXPX-SFTDATJTSA-N 0 0 411.958 5.686 40 0 HKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(Cl)ccc2C)o1 ZINC000222896440 568529971 /nfs/dbraw/zinc/52/99/71/568529971.db2.gz SQFVYQLVDFDXPX-RTWAWAEBSA-N 0 0 411.958 5.686 40 0 HKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cc(Cl)ccc2C)o1 ZINC000222896503 568529970 /nfs/dbraw/zinc/52/99/70/568529970.db2.gz SQFVYQLVDFDXPX-LEWJYISDSA-N 0 0 411.958 5.686 40 0 HKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cc(Cl)ccc2C)o1 ZINC000222896552 568529981 /nfs/dbraw/zinc/52/99/81/568529981.db2.gz SQFVYQLVDFDXPX-NHCUHLMSSA-N 0 0 411.958 5.686 40 0 HKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000222896891 568530002 /nfs/dbraw/zinc/53/00/02/568530002.db2.gz YIZXPYHWFAJADE-SFTDATJTSA-N 0 0 411.958 5.686 40 0 HKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000222896955 568529960 /nfs/dbraw/zinc/52/99/60/568529960.db2.gz YIZXPYHWFAJADE-RTWAWAEBSA-N 0 0 411.958 5.686 40 0 HKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000222897000 568529984 /nfs/dbraw/zinc/52/99/84/568529984.db2.gz YIZXPYHWFAJADE-LEWJYISDSA-N 0 0 411.958 5.686 40 0 HKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000222897067 568529997 /nfs/dbraw/zinc/52/99/97/568529997.db2.gz YIZXPYHWFAJADE-NHCUHLMSSA-N 0 0 411.958 5.686 40 0 HKABRN O=C(NCc1cccc2ccccc21)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000222898705 568530043 /nfs/dbraw/zinc/53/00/43/568530043.db2.gz HCTQDFVLKNSVPB-UHFFFAOYSA-N 0 0 410.920 5.161 40 0 HKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2ccccc2)c1C ZINC000222899695 568530106 /nfs/dbraw/zinc/53/01/06/568530106.db2.gz BWSBJSUPSPTQSG-GOTSBHOMSA-N 0 0 404.583 5.180 40 0 HKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2ccccc2)c1C ZINC000222899759 568530052 /nfs/dbraw/zinc/53/00/52/568530052.db2.gz BWSBJSUPSPTQSG-PKTZIBPZSA-N 0 0 404.583 5.180 40 0 HKABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2ccccc2)c1C ZINC000222899827 568530108 /nfs/dbraw/zinc/53/01/08/568530108.db2.gz BWSBJSUPSPTQSG-XZOQPEGZSA-N 0 0 404.583 5.180 40 0 HKABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2ccccc2)c1C ZINC000222899897 568530127 /nfs/dbraw/zinc/53/01/27/568530127.db2.gz BWSBJSUPSPTQSG-DHIUTWEWSA-N 0 0 404.583 5.180 40 0 HKABRN COc1ccccc1[C@@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000222900797 568530165 /nfs/dbraw/zinc/53/01/65/568530165.db2.gz JPIYIPDHQROTCA-OAHLLOKOSA-N 0 0 421.368 5.091 40 0 HKABRN COc1ccccc1[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000222900864 568530157 /nfs/dbraw/zinc/53/01/57/568530157.db2.gz JPIYIPDHQROTCA-HNNXBMFYSA-N 0 0 421.368 5.091 40 0 HKABRN C[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)CCCC2 ZINC000222903860 568530328 /nfs/dbraw/zinc/53/03/28/568530328.db2.gz ZDSFTACEEANTEI-LJQANCHMSA-N 0 0 401.575 6.349 40 0 HKABRN C[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)CCCC2 ZINC000222903925 568530337 /nfs/dbraw/zinc/53/03/37/568530337.db2.gz ZDSFTACEEANTEI-IBGZPJMESA-N 0 0 401.575 6.349 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000222904703 568530293 /nfs/dbraw/zinc/53/02/93/568530293.db2.gz INYQWAUGAJXVQL-AREMUKBSSA-N 0 0 415.577 6.371 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000222904754 568530299 /nfs/dbraw/zinc/53/02/99/568530299.db2.gz INYQWAUGAJXVQL-SANMLTNESA-N 0 0 415.577 6.371 40 0 HKABRN C[C@@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000222906677 568530262 /nfs/dbraw/zinc/53/02/62/568530262.db2.gz TXEXVIIYZHNOLL-VWBBVOOFSA-N 0 0 415.964 6.637 40 0 HKABRN C[C@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000222906738 568530302 /nfs/dbraw/zinc/53/03/02/568530302.db2.gz TXEXVIIYZHNOLL-YSRPOPIVSA-N 0 0 415.964 6.637 40 0 HKABRN COc1ccc(/C=C(/C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c2ccccc2)cc1 ZINC000222906971 568530468 /nfs/dbraw/zinc/53/04/68/568530468.db2.gz CHBPDCVIIDMAMO-FGAYPWGZSA-N 0 0 411.545 5.992 40 0 HKABRN COc1ccc(/C=C(/C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c2ccccc2)cc1 ZINC000222907023 568530417 /nfs/dbraw/zinc/53/04/17/568530417.db2.gz CHBPDCVIIDMAMO-QZCBGFPPSA-N 0 0 411.545 5.992 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000222907646 568530447 /nfs/dbraw/zinc/53/04/47/568530447.db2.gz CWASTMBACBIYRZ-XMMPIXPASA-N 0 0 403.522 6.573 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000222907709 568530420 /nfs/dbraw/zinc/53/04/20/568530420.db2.gz CWASTMBACBIYRZ-DEOSSOPVSA-N 0 0 403.522 6.573 40 0 HKABRN C[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc2c(c1)CCCC2 ZINC000222907989 568530462 /nfs/dbraw/zinc/53/04/62/568530462.db2.gz TVNWLSIGTXNYIW-CQSZACIVSA-N 0 0 408.394 5.983 40 0 HKABRN C[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc2c(c1)CCCC2 ZINC000222908043 568530393 /nfs/dbraw/zinc/53/03/93/568530393.db2.gz TVNWLSIGTXNYIW-AWEZNQCLSA-N 0 0 408.394 5.983 40 0 HKABRN C[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 ZINC000222908739 568530472 /nfs/dbraw/zinc/53/04/72/568530472.db2.gz KCALWKVWJJRAIP-OAHLLOKOSA-N 0 0 418.400 5.439 40 0 HKABRN C[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 ZINC000222908815 568530418 /nfs/dbraw/zinc/53/04/18/568530418.db2.gz KCALWKVWJJRAIP-HNNXBMFYSA-N 0 0 418.400 5.439 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)cc2)cc1 ZINC000222909042 568530458 /nfs/dbraw/zinc/53/04/58/568530458.db2.gz YUEAJXJDVACEMX-FQEVSTJZSA-N 0 0 415.602 6.657 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)cc2)cc1 ZINC000222909114 568530406 /nfs/dbraw/zinc/53/04/06/568530406.db2.gz YUEAJXJDVACEMX-HXUWFJFHSA-N 0 0 415.602 6.657 40 0 HKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 ZINC000222911143 568530540 /nfs/dbraw/zinc/53/05/40/568530540.db2.gz KNTHUPXIJCCWGP-SFTDATJTSA-N 0 0 410.974 5.154 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSc1ccc(Cl)cc1 ZINC000222911185 568530509 /nfs/dbraw/zinc/53/05/09/568530509.db2.gz AHJARGLCBDLANY-HXUWFJFHSA-N 0 0 405.991 5.703 40 0 HKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 ZINC000222911205 568530501 /nfs/dbraw/zinc/53/05/01/568530501.db2.gz KNTHUPXIJCCWGP-RTWAWAEBSA-N 0 0 410.974 5.154 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSc1ccc(Cl)cc1 ZINC000222911258 568530534 /nfs/dbraw/zinc/53/05/34/568530534.db2.gz AHJARGLCBDLANY-FQEVSTJZSA-N 0 0 405.991 5.703 40 0 HKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 ZINC000222911271 568530570 /nfs/dbraw/zinc/53/05/70/568530570.db2.gz KNTHUPXIJCCWGP-LEWJYISDSA-N 0 0 410.974 5.154 40 0 HKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 ZINC000222911340 568530521 /nfs/dbraw/zinc/53/05/21/568530521.db2.gz KNTHUPXIJCCWGP-NHCUHLMSSA-N 0 0 410.974 5.154 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccccc1Cl ZINC000222911668 568530561 /nfs/dbraw/zinc/53/05/61/568530561.db2.gz ZMRAAYNNFZVGJK-OAQYLSRUSA-N 0 0 420.018 5.845 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccccc1Cl ZINC000222911728 568530508 /nfs/dbraw/zinc/53/05/08/568530508.db2.gz ZMRAAYNNFZVGJK-NRFANRHFSA-N 0 0 420.018 5.845 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1cccc(Cl)c1 ZINC000222911806 568530558 /nfs/dbraw/zinc/53/05/58/568530558.db2.gz FQLWOQQBSHTECO-OAQYLSRUSA-N 0 0 420.018 5.845 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1cccc(Cl)c1 ZINC000222911877 568530576 /nfs/dbraw/zinc/53/05/76/568530576.db2.gz FQLWOQQBSHTECO-NRFANRHFSA-N 0 0 420.018 5.845 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000222911973 568530574 /nfs/dbraw/zinc/53/05/74/568530574.db2.gz KIUYBVSTCSHZQH-OAQYLSRUSA-N 0 0 420.018 5.845 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000222912042 568530505 /nfs/dbraw/zinc/53/05/05/568530505.db2.gz KIUYBVSTCSHZQH-NRFANRHFSA-N 0 0 420.018 5.845 40 0 HKABRN Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1 ZINC000222914652 568530556 /nfs/dbraw/zinc/53/05/56/568530556.db2.gz GYHVNLGZMJVPFO-FGZHOGPDSA-N 0 0 423.607 5.763 40 0 HKABRN Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1 ZINC000222914722 568530518 /nfs/dbraw/zinc/53/05/18/568530518.db2.gz GYHVNLGZMJVPFO-YADHBBJMSA-N 0 0 423.607 5.763 40 0 HKABRN Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1 ZINC000222914791 568530554 /nfs/dbraw/zinc/53/05/54/568530554.db2.gz GYHVNLGZMJVPFO-FCHUYYIVSA-N 0 0 423.607 5.763 40 0 HKABRN Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1 ZINC000222914854 568530531 /nfs/dbraw/zinc/53/05/31/568530531.db2.gz GYHVNLGZMJVPFO-VXKWHMMOSA-N 0 0 423.607 5.763 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000222915230 568530507 /nfs/dbraw/zinc/53/05/07/568530507.db2.gz MGBKGXCNPOHBDA-GOSISDBHSA-N 0 0 413.867 6.452 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000222915311 568530567 /nfs/dbraw/zinc/53/05/67/568530567.db2.gz MGBKGXCNPOHBDA-SFHVURJKSA-N 0 0 413.867 6.452 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000222915398 568530669 /nfs/dbraw/zinc/53/06/69/568530669.db2.gz XOKZDIICYLPHKD-RUZDIDTESA-N 0 0 417.549 6.359 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000222915452 568530657 /nfs/dbraw/zinc/53/06/57/568530657.db2.gz XOKZDIICYLPHKD-VWLOTQADSA-N 0 0 417.549 6.359 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1C1CCCCC1 ZINC000222916011 568530668 /nfs/dbraw/zinc/53/06/68/568530668.db2.gz RLSJZFRJIZYWLH-DHIUTWEWSA-N 0 0 410.631 5.634 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1C1CCCCC1 ZINC000222916069 568530647 /nfs/dbraw/zinc/53/06/47/568530647.db2.gz RLSJZFRJIZYWLH-PKTZIBPZSA-N 0 0 410.631 5.634 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1C1CCCCC1 ZINC000222916133 568530652 /nfs/dbraw/zinc/53/06/52/568530652.db2.gz RLSJZFRJIZYWLH-XZOQPEGZSA-N 0 0 410.631 5.634 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1C1CCCCC1 ZINC000222916192 568530643 /nfs/dbraw/zinc/53/06/43/568530643.db2.gz RLSJZFRJIZYWLH-GOTSBHOMSA-N 0 0 410.631 5.634 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1Cc1ccccc1 ZINC000222916826 568530672 /nfs/dbraw/zinc/53/06/72/568530672.db2.gz KEPCUWTZSIAIPT-DNQXCXABSA-N 0 0 418.610 5.177 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1Cc1ccccc1 ZINC000222916880 568530670 /nfs/dbraw/zinc/53/06/70/568530670.db2.gz KEPCUWTZSIAIPT-RPWUZVMVSA-N 0 0 418.610 5.177 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1Cc1ccccc1 ZINC000222916930 568530650 /nfs/dbraw/zinc/53/06/50/568530650.db2.gz KEPCUWTZSIAIPT-BJKOFHAPSA-N 0 0 418.610 5.177 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1Cc1ccccc1 ZINC000222916983 568530644 /nfs/dbraw/zinc/53/06/44/568530644.db2.gz KEPCUWTZSIAIPT-ZEQRLZLVSA-N 0 0 418.610 5.177 40 0 HKABRN CCc1ccc([C@@H](C)NC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000222917288 568530646 /nfs/dbraw/zinc/53/06/46/568530646.db2.gz GCMXYLLBRYJXEC-OAHLLOKOSA-N 0 0 412.327 5.421 40 0 HKABRN CCc1ccc([C@H](C)NC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000222917342 568530673 /nfs/dbraw/zinc/53/06/73/568530673.db2.gz GCMXYLLBRYJXEC-HNNXBMFYSA-N 0 0 412.327 5.421 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000222918627 568530798 /nfs/dbraw/zinc/53/07/98/568530798.db2.gz JNIAYSRXJMDLOA-JOCHJYFZSA-N 0 0 408.542 5.016 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000222918692 568530794 /nfs/dbraw/zinc/53/07/94/568530794.db2.gz JNIAYSRXJMDLOA-QFIPXVFZSA-N 0 0 408.542 5.016 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000222918930 568530789 /nfs/dbraw/zinc/53/07/89/568530789.db2.gz SJVRGUZYDJTDGX-JOCHJYFZSA-N 0 0 410.558 5.166 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000222918996 568530779 /nfs/dbraw/zinc/53/07/79/568530779.db2.gz SJVRGUZYDJTDGX-QFIPXVFZSA-N 0 0 410.558 5.166 40 0 HKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1 ZINC000222919093 568530781 /nfs/dbraw/zinc/53/07/81/568530781.db2.gz FLCVIXQSFDXTQX-VGOFRKELSA-N 0 0 410.558 5.309 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)CC ZINC000222919153 568530772 /nfs/dbraw/zinc/53/07/72/568530772.db2.gz FLCVIXQSFDXTQX-HTAPYJJXSA-N 0 0 410.558 5.309 40 0 HKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1 ZINC000222919219 568530777 /nfs/dbraw/zinc/53/07/77/568530777.db2.gz FLCVIXQSFDXTQX-VGSWGCGISA-N 0 0 410.558 5.309 40 0 HKABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1 ZINC000222919271 568530800 /nfs/dbraw/zinc/53/08/00/568530800.db2.gz FLCVIXQSFDXTQX-JTSKRJEESA-N 0 0 410.558 5.309 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000222920639 568530895 /nfs/dbraw/zinc/53/08/95/568530895.db2.gz QTVYXIQJMBOCJL-JOCHJYFZSA-N 0 0 414.977 5.144 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000222920699 568530892 /nfs/dbraw/zinc/53/08/92/568530892.db2.gz QTVYXIQJMBOCJL-QFIPXVFZSA-N 0 0 414.977 5.144 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Br)cc1F ZINC000222922681 568531056 /nfs/dbraw/zinc/53/10/56/568531056.db2.gz NAVBLLGMXVCYQC-GOSISDBHSA-N 0 0 408.311 5.682 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Br)cc1F ZINC000222922745 568531058 /nfs/dbraw/zinc/53/10/58/568531058.db2.gz NAVBLLGMXVCYQC-SFHVURJKSA-N 0 0 408.311 5.682 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000222922977 568531041 /nfs/dbraw/zinc/53/10/41/568531041.db2.gz OHAYBYDBJJDDKR-LJQANCHMSA-N 0 0 403.906 5.220 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000222923028 568531047 /nfs/dbraw/zinc/53/10/47/568531047.db2.gz OHAYBYDBJJDDKR-IBGZPJMESA-N 0 0 403.906 5.220 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000222923109 568531026 /nfs/dbraw/zinc/53/10/26/568531026.db2.gz REFVNMVPKVRLTR-LJQANCHMSA-N 0 0 403.906 5.220 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000222923172 568531034 /nfs/dbraw/zinc/53/10/34/568531034.db2.gz REFVNMVPKVRLTR-IBGZPJMESA-N 0 0 403.906 5.220 40 0 HKABRN CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1 ZINC000222923399 568531025 /nfs/dbraw/zinc/53/10/25/568531025.db2.gz RQSGOLDDBBBRKP-JOCHJYFZSA-N 0 0 410.558 5.310 40 0 HKABRN CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1 ZINC000222923462 568531022 /nfs/dbraw/zinc/53/10/22/568531022.db2.gz RQSGOLDDBBBRKP-QFIPXVFZSA-N 0 0 410.558 5.310 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000222924408 568531177 /nfs/dbraw/zinc/53/11/77/568531177.db2.gz ZZCTVZQTWMUAGA-HSZRJFAPSA-N 0 0 403.522 6.573 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000222924467 568531129 /nfs/dbraw/zinc/53/11/29/568531129.db2.gz ZZCTVZQTWMUAGA-QHCPKHFHSA-N 0 0 403.522 6.573 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000222924542 568531180 /nfs/dbraw/zinc/53/11/80/568531180.db2.gz JSCONZKMNRZUGR-HSZRJFAPSA-N 0 0 422.569 5.406 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000222924600 568531141 /nfs/dbraw/zinc/53/11/41/568531141.db2.gz JSCONZKMNRZUGR-QHCPKHFHSA-N 0 0 422.569 5.406 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000222925366 568531148 /nfs/dbraw/zinc/53/11/48/568531148.db2.gz PMVTVKJJFQZXQU-OAQYLSRUSA-N 0 0 410.558 5.309 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000222925431 568531176 /nfs/dbraw/zinc/53/11/76/568531176.db2.gz PMVTVKJJFQZXQU-NRFANRHFSA-N 0 0 410.558 5.309 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000222925508 568531133 /nfs/dbraw/zinc/53/11/33/568531133.db2.gz RNWUYFCIAIULFM-GOSISDBHSA-N 0 0 405.922 5.451 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000222925561 568531178 /nfs/dbraw/zinc/53/11/78/568531178.db2.gz RNWUYFCIAIULFM-SFHVURJKSA-N 0 0 405.922 5.451 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000222925787 568531179 /nfs/dbraw/zinc/53/11/79/568531179.db2.gz NEBKLFFBVANTMT-JOCHJYFZSA-N 0 0 411.542 5.737 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000222925838 568531114 /nfs/dbraw/zinc/53/11/14/568531114.db2.gz NEBKLFFBVANTMT-QFIPXVFZSA-N 0 0 411.542 5.737 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000222926316 568531155 /nfs/dbraw/zinc/53/11/55/568531155.db2.gz BGWJSJLVZOGFFR-XMMPIXPASA-N 0 0 401.550 6.047 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000222926386 568531164 /nfs/dbraw/zinc/53/11/64/568531164.db2.gz BGWJSJLVZOGFFR-DEOSSOPVSA-N 0 0 401.550 6.047 40 0 HKABRN CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1OCC ZINC000222928645 568531293 /nfs/dbraw/zinc/53/12/93/568531293.db2.gz GBXQEVLZRYRFCY-OAQYLSRUSA-N 0 0 413.558 5.255 40 0 HKABRN CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1OCC ZINC000222928701 568531309 /nfs/dbraw/zinc/53/13/09/568531309.db2.gz GBXQEVLZRYRFCY-NRFANRHFSA-N 0 0 413.558 5.255 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC000222928801 568531259 /nfs/dbraw/zinc/53/12/59/568531259.db2.gz JNWYCJZFKGCNAP-OAQYLSRUSA-N 0 0 413.558 5.254 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC000222928854 568531323 /nfs/dbraw/zinc/53/13/23/568531323.db2.gz JNWYCJZFKGCNAP-NRFANRHFSA-N 0 0 413.558 5.254 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccccc1F ZINC000222930606 568531455 /nfs/dbraw/zinc/53/14/55/568531455.db2.gz ZPZMPUCGFIXDDO-OAQYLSRUSA-N 0 0 403.563 5.330 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccccc1F ZINC000222930670 568531368 /nfs/dbraw/zinc/53/13/68/568531368.db2.gz ZPZMPUCGFIXDDO-NRFANRHFSA-N 0 0 403.563 5.330 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000222932819 568531396 /nfs/dbraw/zinc/53/13/96/568531396.db2.gz ZKNQWSJAFPOFFL-XMMPIXPASA-N 0 0 415.533 6.011 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000222932882 568531420 /nfs/dbraw/zinc/53/14/20/568531420.db2.gz ZKNQWSJAFPOFFL-DEOSSOPVSA-N 0 0 415.533 6.011 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1cccc(OC(C)C)c1 ZINC000222932970 568531532 /nfs/dbraw/zinc/53/15/32/568531532.db2.gz QICINBWKYPNZSW-XMMPIXPASA-N 0 0 411.586 5.678 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1cccc(OC(C)C)c1 ZINC000222933037 568531510 /nfs/dbraw/zinc/53/15/10/568531510.db2.gz QICINBWKYPNZSW-DEOSSOPVSA-N 0 0 411.586 5.678 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000222933126 568531520 /nfs/dbraw/zinc/53/15/20/568531520.db2.gz BQVTYBGTLJYPLT-XMMPIXPASA-N 0 0 411.586 5.678 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000222933191 568531511 /nfs/dbraw/zinc/53/15/11/568531511.db2.gz BQVTYBGTLJYPLT-DEOSSOPVSA-N 0 0 411.586 5.678 40 0 HKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)cc1C ZINC000222934007 568531549 /nfs/dbraw/zinc/53/15/49/568531549.db2.gz DGNKZAOYKOVDIA-DHIUTWEWSA-N 0 0 404.583 5.118 40 0 HKABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)cc1C ZINC000222934062 568531537 /nfs/dbraw/zinc/53/15/37/568531537.db2.gz DGNKZAOYKOVDIA-PKTZIBPZSA-N 0 0 404.583 5.118 40 0 HKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)cc1C ZINC000222934120 568531538 /nfs/dbraw/zinc/53/15/38/568531538.db2.gz DGNKZAOYKOVDIA-XZOQPEGZSA-N 0 0 404.583 5.118 40 0 HKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)cc1C ZINC000222934185 568531527 /nfs/dbraw/zinc/53/15/27/568531527.db2.gz DGNKZAOYKOVDIA-GOTSBHOMSA-N 0 0 404.583 5.118 40 0 HKABRN C[C@@H]1Cc2cc(Br)ccc2N1C(=O)C(c1ccccc1)c1ccccc1 ZINC000222934898 568531553 /nfs/dbraw/zinc/53/15/53/568531553.db2.gz JQMPIZATWOMBAQ-MRXNPFEDSA-N 0 0 406.323 5.559 40 0 HKABRN C[C@H]1Cc2cc(Br)ccc2N1C(=O)C(c1ccccc1)c1ccccc1 ZINC000222934947 568531530 /nfs/dbraw/zinc/53/15/30/568531530.db2.gz JQMPIZATWOMBAQ-INIZCTEOSA-N 0 0 406.323 5.559 40 0 HKABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000222935157 568531528 /nfs/dbraw/zinc/53/15/28/568531528.db2.gz PGFBGLCKHYJJIB-AUSIDOKSSA-N 0 0 419.565 5.676 40 0 HKABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000222935205 568531699 /nfs/dbraw/zinc/53/16/99/568531699.db2.gz PGFBGLCKHYJJIB-WMZHIEFXSA-N 0 0 419.565 5.676 40 0 HKABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000222935252 568531662 /nfs/dbraw/zinc/53/16/62/568531662.db2.gz PGFBGLCKHYJJIB-XXBNENTESA-N 0 0 419.565 5.676 40 0 HKABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000222935308 568531673 /nfs/dbraw/zinc/53/16/73/568531673.db2.gz PGFBGLCKHYJJIB-CVDCTZTESA-N 0 0 419.565 5.676 40 0 HKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 ZINC000222935384 568531637 /nfs/dbraw/zinc/53/16/37/568531637.db2.gz TUKOTUOFWGFGHH-SFTDATJTSA-N 0 0 409.580 5.454 40 0 HKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 ZINC000222935448 568531663 /nfs/dbraw/zinc/53/16/63/568531663.db2.gz TUKOTUOFWGFGHH-RTWAWAEBSA-N 0 0 409.580 5.454 40 0 HKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 ZINC000222935507 568531691 /nfs/dbraw/zinc/53/16/91/568531691.db2.gz TUKOTUOFWGFGHH-LEWJYISDSA-N 0 0 409.580 5.454 40 0 HKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 ZINC000222935572 568531664 /nfs/dbraw/zinc/53/16/64/568531664.db2.gz TUKOTUOFWGFGHH-NHCUHLMSSA-N 0 0 409.580 5.454 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 ZINC000222935890 568531674 /nfs/dbraw/zinc/53/16/74/568531674.db2.gz SXJCCSQDQDBBEY-BJKOFHAPSA-N 0 0 411.586 6.054 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 ZINC000222935940 568531641 /nfs/dbraw/zinc/53/16/41/568531641.db2.gz SXJCCSQDQDBBEY-ZEQRLZLVSA-N 0 0 411.586 6.054 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 ZINC000222936000 568531677 /nfs/dbraw/zinc/53/16/77/568531677.db2.gz SXJCCSQDQDBBEY-DNQXCXABSA-N 0 0 411.586 6.054 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 ZINC000222936051 568531643 /nfs/dbraw/zinc/53/16/43/568531643.db2.gz SXJCCSQDQDBBEY-RPWUZVMVSA-N 0 0 411.586 6.054 40 0 HKABRN CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)ccc1Cl ZINC000222936404 568531649 /nfs/dbraw/zinc/53/16/49/568531649.db2.gz SRQHXSMZCIGPEZ-HXUWFJFHSA-N 0 0 417.933 5.610 40 0 HKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000222936452 568531648 /nfs/dbraw/zinc/53/16/48/568531648.db2.gz QGWYIOLYPWTLHU-SFTDATJTSA-N 0 0 411.958 5.624 40 0 HKABRN O=C(NCCNc1ccnc2cc(Cl)ccc21)C(c1ccccc1)c1ccccc1 ZINC000222936456 568531675 /nfs/dbraw/zinc/53/16/75/568531675.db2.gz NWLLLCRJQPEXKE-UHFFFAOYSA-N 0 0 415.924 5.248 40 0 HKABRN CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)ccc1Cl ZINC000222936465 568531670 /nfs/dbraw/zinc/53/16/70/568531670.db2.gz SRQHXSMZCIGPEZ-FQEVSTJZSA-N 0 0 417.933 5.610 40 0 HKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000222936497 568531687 /nfs/dbraw/zinc/53/16/87/568531687.db2.gz QGWYIOLYPWTLHU-RTWAWAEBSA-N 0 0 411.958 5.624 40 0 HKABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000222936554 568531689 /nfs/dbraw/zinc/53/16/89/568531689.db2.gz QGWYIOLYPWTLHU-LEWJYISDSA-N 0 0 411.958 5.624 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1Cl ZINC000222936558 568531647 /nfs/dbraw/zinc/53/16/47/568531647.db2.gz ZKJRDOYMQSFNCY-HXUWFJFHSA-N 0 0 417.933 5.610 40 0 HKABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000222936603 568531680 /nfs/dbraw/zinc/53/16/80/568531680.db2.gz QGWYIOLYPWTLHU-NHCUHLMSSA-N 0 0 411.958 5.624 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1Cl ZINC000222936614 568531667 /nfs/dbraw/zinc/53/16/67/568531667.db2.gz ZKJRDOYMQSFNCY-FQEVSTJZSA-N 0 0 417.933 5.610 40 0 HKABRN CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1 ZINC000222936845 568531678 /nfs/dbraw/zinc/53/16/78/568531678.db2.gz GHVDGOCOGSMBFV-HSZRJFAPSA-N 0 0 411.586 5.679 40 0 HKABRN CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1 ZINC000222936897 568531651 /nfs/dbraw/zinc/53/16/51/568531651.db2.gz GHVDGOCOGSMBFV-QHCPKHFHSA-N 0 0 411.586 5.679 40 0 HKABRN CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1 ZINC000222937206 568531661 /nfs/dbraw/zinc/53/16/61/568531661.db2.gz BTEQNZFJWJQBPA-DHIUTWEWSA-N 0 0 421.566 5.369 40 0 HKABRN CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1 ZINC000222937260 568531658 /nfs/dbraw/zinc/53/16/58/568531658.db2.gz BTEQNZFJWJQBPA-PKTZIBPZSA-N 0 0 421.566 5.369 40 0 HKABRN CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1 ZINC000222937323 568531640 /nfs/dbraw/zinc/53/16/40/568531640.db2.gz BTEQNZFJWJQBPA-XZOQPEGZSA-N 0 0 421.566 5.369 40 0 HKABRN CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1 ZINC000222937382 568531654 /nfs/dbraw/zinc/53/16/54/568531654.db2.gz BTEQNZFJWJQBPA-GOTSBHOMSA-N 0 0 421.566 5.369 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000222938126 568531757 /nfs/dbraw/zinc/53/17/57/568531757.db2.gz GXZFBQORPVEZMF-FGZHOGPDSA-N 0 0 409.570 5.869 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000222938194 568531798 /nfs/dbraw/zinc/53/17/98/568531798.db2.gz GXZFBQORPVEZMF-YADHBBJMSA-N 0 0 409.570 5.869 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000222938269 568531787 /nfs/dbraw/zinc/53/17/87/568531787.db2.gz GXZFBQORPVEZMF-FCHUYYIVSA-N 0 0 409.570 5.869 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000222938331 568531778 /nfs/dbraw/zinc/53/17/78/568531778.db2.gz GXZFBQORPVEZMF-VXKWHMMOSA-N 0 0 409.570 5.869 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000222938409 568531773 /nfs/dbraw/zinc/53/17/73/568531773.db2.gz MGJAASJFHFLMBO-FGZHOGPDSA-N 0 0 409.570 5.869 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000222938463 568531786 /nfs/dbraw/zinc/53/17/86/568531786.db2.gz MGJAASJFHFLMBO-YADHBBJMSA-N 0 0 409.570 5.869 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000222938533 568531781 /nfs/dbraw/zinc/53/17/81/568531781.db2.gz MGJAASJFHFLMBO-FCHUYYIVSA-N 0 0 409.570 5.869 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000222938589 568531754 /nfs/dbraw/zinc/53/17/54/568531754.db2.gz MGJAASJFHFLMBO-VXKWHMMOSA-N 0 0 409.570 5.869 40 0 HKABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222938833 568531770 /nfs/dbraw/zinc/53/17/70/568531770.db2.gz KUEVLYOXFKMNRD-VWLOTQADSA-N 0 0 422.613 5.117 40 0 HKABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222938895 568531756 /nfs/dbraw/zinc/53/17/56/568531756.db2.gz KUEVLYOXFKMNRD-RUZDIDTESA-N 0 0 422.613 5.117 40 0 HKABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1 ZINC000222939758 568531783 /nfs/dbraw/zinc/53/17/83/568531783.db2.gz MZSAWTGMWWTDIO-NHCUHLMSSA-N 0 0 413.558 5.426 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000222939827 568531799 /nfs/dbraw/zinc/53/17/99/568531799.db2.gz MZSAWTGMWWTDIO-LEWJYISDSA-N 0 0 413.558 5.426 40 0 HKABRN CC[C@@H](NC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1 ZINC000222939878 568531755 /nfs/dbraw/zinc/53/17/55/568531755.db2.gz MZSAWTGMWWTDIO-RTWAWAEBSA-N 0 0 413.558 5.426 40 0 HKABRN CC[C@H](NC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1 ZINC000222939940 568531797 /nfs/dbraw/zinc/53/17/97/568531797.db2.gz MZSAWTGMWWTDIO-SFTDATJTSA-N 0 0 413.558 5.426 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000222941425 568531924 /nfs/dbraw/zinc/53/19/24/568531924.db2.gz OPZSTDOBWRVBFP-OAQYLSRUSA-N 0 0 421.541 5.159 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000222941500 568531900 /nfs/dbraw/zinc/53/19/00/568531900.db2.gz OPZSTDOBWRVBFP-NRFANRHFSA-N 0 0 421.541 5.159 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCCc2ccccc21 ZINC000222942619 568531904 /nfs/dbraw/zinc/53/19/04/568531904.db2.gz ALBKVGPHKOLBTK-XMMPIXPASA-N 0 0 408.586 5.101 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCCc2ccccc21 ZINC000222942689 568531890 /nfs/dbraw/zinc/53/18/90/568531890.db2.gz ALBKVGPHKOLBTK-DEOSSOPVSA-N 0 0 408.586 5.101 40 0 HKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CC(C)C ZINC000222943902 568531883 /nfs/dbraw/zinc/53/18/83/568531883.db2.gz SFWBHZFQWOZVAG-DNQXCXABSA-N 0 0 418.610 5.426 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000222943906 568531906 /nfs/dbraw/zinc/53/19/06/568531906.db2.gz SJGKCSXSWWSERD-LJQANCHMSA-N 0 0 401.575 6.349 40 0 HKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CC(C)C ZINC000222943960 568531871 /nfs/dbraw/zinc/53/18/71/568531871.db2.gz SFWBHZFQWOZVAG-RPWUZVMVSA-N 0 0 418.610 5.426 40 0 HKABRN C[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000222943969 568531918 /nfs/dbraw/zinc/53/19/18/568531918.db2.gz SJGKCSXSWWSERD-IBGZPJMESA-N 0 0 401.575 6.349 40 0 HKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CC(C)C ZINC000222944018 568531913 /nfs/dbraw/zinc/53/19/13/568531913.db2.gz SFWBHZFQWOZVAG-BJKOFHAPSA-N 0 0 418.610 5.426 40 0 HKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@H](c2ccccn2)NC(=S)N1CC(C)C ZINC000222944076 568531897 /nfs/dbraw/zinc/53/18/97/568531897.db2.gz SFWBHZFQWOZVAG-ZEQRLZLVSA-N 0 0 418.610 5.426 40 0 HKABRN O=C(NCCCNc1ccnc2cc(Cl)ccc21)c1ccc(Cl)cc1Cl ZINC000222945490 568532024 /nfs/dbraw/zinc/53/20/24/568532024.db2.gz PSOJYOBZZSQSGA-UHFFFAOYSA-N 0 0 408.716 5.427 40 0 HKABRN COc1cccc(Oc2ccc(Cl)cc2NC(=O)Cc2cccc(Cl)c2)c1 ZINC000222947472 568532001 /nfs/dbraw/zinc/53/20/01/568532001.db2.gz KRJMJSFUBXOJFU-UHFFFAOYSA-N 0 0 402.277 5.976 40 0 HKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000222951390 568532112 /nfs/dbraw/zinc/53/21/12/568532112.db2.gz CRNVNFGOMCQXKS-HSZRJFAPSA-N 0 0 405.563 6.392 40 0 HKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000222951454 568532099 /nfs/dbraw/zinc/53/20/99/568532099.db2.gz CRNVNFGOMCQXKS-QHCPKHFHSA-N 0 0 405.563 6.392 40 0 HKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1c(F)cccc1Cl ZINC000222952975 568532098 /nfs/dbraw/zinc/53/20/98/568532098.db2.gz AAGBTGZCBLIWMC-LJQANCHMSA-N 0 0 409.954 5.303 40 0 HKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1c(F)cccc1Cl ZINC000222953037 568532136 /nfs/dbraw/zinc/53/21/36/568532136.db2.gz AAGBTGZCBLIWMC-IBGZPJMESA-N 0 0 409.954 5.303 40 0 HKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000222953838 568532109 /nfs/dbraw/zinc/53/21/09/568532109.db2.gz YCLPKQSSXIVNJN-JOCHJYFZSA-N 0 0 408.542 5.162 40 0 HKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000222953902 568532202 /nfs/dbraw/zinc/53/22/02/568532202.db2.gz YCLPKQSSXIVNJN-QFIPXVFZSA-N 0 0 408.542 5.162 40 0 HKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000222954123 568532256 /nfs/dbraw/zinc/53/22/56/568532256.db2.gz LMFSDDWNWZKXEI-HSZRJFAPSA-N 0 0 416.521 5.030 40 0 HKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000222954179 568532165 /nfs/dbraw/zinc/53/21/65/568532165.db2.gz LMFSDDWNWZKXEI-QHCPKHFHSA-N 0 0 416.521 5.030 40 0 HKABRN Cc1cc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc(C)c1Br ZINC000222955188 568532263 /nfs/dbraw/zinc/53/22/63/568532263.db2.gz YJRQARWADWPTLI-INIZCTEOSA-N 0 0 416.359 5.201 40 0 HKABRN Cc1cc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc(C)c1Br ZINC000222955240 568532225 /nfs/dbraw/zinc/53/22/25/568532225.db2.gz YJRQARWADWPTLI-MRXNPFEDSA-N 0 0 416.359 5.201 40 0 HKABRN C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc2c(c1)CCCC2 ZINC000222955460 568532247 /nfs/dbraw/zinc/53/22/47/568532247.db2.gz QFHFKZBGDJVIGT-CYBMUJFWSA-N 0 0 422.750 5.238 40 0 HKABRN C[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc2c(c1)CCCC2 ZINC000222955518 568532254 /nfs/dbraw/zinc/53/22/54/568532254.db2.gz QFHFKZBGDJVIGT-ZDUSSCGKSA-N 0 0 422.750 5.238 40 0 HKABRN CCc1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(Br)c1 ZINC000222955604 568532179 /nfs/dbraw/zinc/53/21/79/568532179.db2.gz RMHUXMJDOMQBEW-HNNXBMFYSA-N 0 0 416.359 5.147 40 0 HKABRN CCc1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c(Br)c1 ZINC000222955666 568532209 /nfs/dbraw/zinc/53/22/09/568532209.db2.gz RMHUXMJDOMQBEW-OAHLLOKOSA-N 0 0 416.359 5.147 40 0 HKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 ZINC000222956039 568532216 /nfs/dbraw/zinc/53/22/16/568532216.db2.gz ALCIYVYTAUCNFK-SFTDATJTSA-N 0 0 410.974 5.298 40 0 HKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 ZINC000222956095 568532261 /nfs/dbraw/zinc/53/22/61/568532261.db2.gz ALCIYVYTAUCNFK-RTWAWAEBSA-N 0 0 410.974 5.298 40 0 HKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 ZINC000222956150 568532236 /nfs/dbraw/zinc/53/22/36/568532236.db2.gz ALCIYVYTAUCNFK-LEWJYISDSA-N 0 0 410.974 5.298 40 0 HKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 ZINC000222956204 568532365 /nfs/dbraw/zinc/53/23/65/568532365.db2.gz ALCIYVYTAUCNFK-NHCUHLMSSA-N 0 0 410.974 5.298 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)sc2c1CCCC2 ZINC000222956458 568532395 /nfs/dbraw/zinc/53/23/95/568532395.db2.gz WPRCZMAWKGFJRB-QGZVFWFLSA-N 0 0 415.555 5.217 40 0 HKABRN CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)sc2c1CCCC2 ZINC000222956516 568532391 /nfs/dbraw/zinc/53/23/91/568532391.db2.gz WPRCZMAWKGFJRB-KRWDZBQOSA-N 0 0 415.555 5.217 40 0 HKABRN C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000222956665 568532306 /nfs/dbraw/zinc/53/23/06/568532306.db2.gz SHSJNIMSKATLNK-CYBMUJFWSA-N 0 0 422.750 5.238 40 0 HKABRN C[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000222956719 568532386 /nfs/dbraw/zinc/53/23/86/568532386.db2.gz SHSJNIMSKATLNK-ZDUSSCGKSA-N 0 0 422.750 5.238 40 0 HKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000222957830 568532324 /nfs/dbraw/zinc/53/23/24/568532324.db2.gz OGPYVYAKTGBAJF-OAQYLSRUSA-N 0 0 409.913 6.545 40 0 HKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000222957894 568532315 /nfs/dbraw/zinc/53/23/15/568532315.db2.gz OGPYVYAKTGBAJF-NRFANRHFSA-N 0 0 409.913 6.545 40 0 HKABRN C[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000222958252 568532390 /nfs/dbraw/zinc/53/23/90/568532390.db2.gz LDJCMODIYZEILL-GOSISDBHSA-N 0 0 419.952 6.289 40 0 HKABRN C[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000222958319 568532304 /nfs/dbraw/zinc/53/23/04/568532304.db2.gz LDJCMODIYZEILL-SFHVURJKSA-N 0 0 419.952 6.289 40 0 HKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(C)cc2)o1 ZINC000222959427 568532298 /nfs/dbraw/zinc/53/22/98/568532298.db2.gz JTFMEXYRFUKEJM-VXKWHMMOSA-N 0 0 423.607 5.907 40 0 HKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(C)cc2)o1 ZINC000222959482 568532348 /nfs/dbraw/zinc/53/23/48/568532348.db2.gz JTFMEXYRFUKEJM-YADHBBJMSA-N 0 0 423.607 5.907 40 0 HKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(C)cc2)o1 ZINC000222959540 568532351 /nfs/dbraw/zinc/53/23/51/568532351.db2.gz JTFMEXYRFUKEJM-FCHUYYIVSA-N 0 0 423.607 5.907 40 0 HKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(C)cc2)o1 ZINC000222959590 568532370 /nfs/dbraw/zinc/53/23/70/568532370.db2.gz JTFMEXYRFUKEJM-FGZHOGPDSA-N 0 0 423.607 5.907 40 0 HKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000222960014 568532301 /nfs/dbraw/zinc/53/23/01/568532301.db2.gz YPOYEBQNOIIREP-JOCHJYFZSA-N 0 0 408.542 5.116 40 0 HKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000222960079 568532392 /nfs/dbraw/zinc/53/23/92/568532392.db2.gz YPOYEBQNOIIREP-QFIPXVFZSA-N 0 0 408.542 5.116 40 0 HKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCCC2)c1C ZINC000222960727 568532344 /nfs/dbraw/zinc/53/23/44/568532344.db2.gz TXKIQHZCDCFOLO-GOTSBHOMSA-N 0 0 410.631 5.778 40 0 HKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCCC2)c1C ZINC000222960789 568532360 /nfs/dbraw/zinc/53/23/60/568532360.db2.gz TXKIQHZCDCFOLO-PKTZIBPZSA-N 0 0 410.631 5.778 40 0 HKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCCC2)c1C ZINC000222960850 568532309 /nfs/dbraw/zinc/53/23/09/568532309.db2.gz TXKIQHZCDCFOLO-XZOQPEGZSA-N 0 0 410.631 5.778 40 0 HKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCCC2)c1C ZINC000222960904 568532313 /nfs/dbraw/zinc/53/23/13/568532313.db2.gz TXKIQHZCDCFOLO-DHIUTWEWSA-N 0 0 410.631 5.778 40 0 HKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccccc2)c1C ZINC000222961507 568532353 /nfs/dbraw/zinc/53/23/53/568532353.db2.gz XGCQWZKBJIQMDZ-ZEQRLZLVSA-N 0 0 418.610 5.321 40 0 HKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccccc2)c1C ZINC000222961573 568532453 /nfs/dbraw/zinc/53/24/53/568532453.db2.gz XGCQWZKBJIQMDZ-RPWUZVMVSA-N 0 0 418.610 5.321 40 0 HKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccccc2)c1C ZINC000222961634 568532397 /nfs/dbraw/zinc/53/23/97/568532397.db2.gz XGCQWZKBJIQMDZ-BJKOFHAPSA-N 0 0 418.610 5.321 40 0 HKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccccc2)c1C ZINC000222961695 568532431 /nfs/dbraw/zinc/53/24/31/568532431.db2.gz XGCQWZKBJIQMDZ-DNQXCXABSA-N 0 0 418.610 5.321 40 0 HKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000222962268 568532401 /nfs/dbraw/zinc/53/24/01/568532401.db2.gz ZCYNDVDCDAQHFV-XMMPIXPASA-N 0 0 400.522 6.227 40 0 HKABRN CCSc1nnc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)s1 ZINC000222962322 568532420 /nfs/dbraw/zinc/53/24/20/568532420.db2.gz KBFTWNWCGLQLKJ-UHFFFAOYSA-N 0 0 401.582 5.503 40 0 HKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000222962332 568532413 /nfs/dbraw/zinc/53/24/13/568532413.db2.gz ZCYNDVDCDAQHFV-DEOSSOPVSA-N 0 0 400.522 6.227 40 0 HKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000222962847 568532425 /nfs/dbraw/zinc/53/24/25/568532425.db2.gz GQIYGLQEBSSFPK-AEYMSQMJSA-N 0 0 417.593 6.567 40 0 HKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000222962910 568532486 /nfs/dbraw/zinc/53/24/86/568532486.db2.gz GQIYGLQEBSSFPK-BTUURDQESA-N 0 0 417.593 6.567 40 0 HKABRN CCc1ccc([C@@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000222964231 568532469 /nfs/dbraw/zinc/53/24/69/568532469.db2.gz BXGXAUDUFVWSLG-MRXNPFEDSA-N 0 0 402.941 5.131 40 0 HKABRN CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000222964286 568532526 /nfs/dbraw/zinc/53/25/26/568532526.db2.gz BXGXAUDUFVWSLG-INIZCTEOSA-N 0 0 402.941 5.131 40 0 HKABRN O=C(NCCCNc1ccnc2cc(Cl)ccc21)c1cccc(C(F)(F)F)c1 ZINC000222964824 568532544 /nfs/dbraw/zinc/53/25/44/568532544.db2.gz IVPCAGHVRBIIAO-UHFFFAOYSA-N 0 0 407.823 5.139 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C ZINC000222971598 568532699 /nfs/dbraw/zinc/53/26/99/568532699.db2.gz XZPIUAMBTUZRAQ-UTKZUKDTSA-N 0 0 411.542 5.313 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C ZINC000222971663 568532690 /nfs/dbraw/zinc/53/26/90/568532690.db2.gz XZPIUAMBTUZRAQ-DYESRHJHSA-N 0 0 411.542 5.313 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C ZINC000222971717 568532661 /nfs/dbraw/zinc/53/26/61/568532661.db2.gz XZPIUAMBTUZRAQ-UWJYYQICSA-N 0 0 411.542 5.313 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C ZINC000222971777 568532631 /nfs/dbraw/zinc/53/26/31/568532631.db2.gz XZPIUAMBTUZRAQ-LAUBAEHRSA-N 0 0 411.542 5.313 40 0 HKABRN Cc1cc(C)cc(CSCC(=O)Nc2nnc(SCc3ccccc3)s2)c1 ZINC000222972746 568532739 /nfs/dbraw/zinc/53/27/39/568532739.db2.gz SPZFFNHGKRYLAD-UHFFFAOYSA-N 0 0 415.609 5.319 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2cccc3ccccc32)c2ccccc2O1 ZINC000222977302 568532859 /nfs/dbraw/zinc/53/28/59/568532859.db2.gz WDDDXSRIPXJXSF-XMSQKQJNSA-N 0 0 403.522 5.806 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2cccc3ccccc32)c2ccccc2O1 ZINC000222977360 568532902 /nfs/dbraw/zinc/53/29/02/568532902.db2.gz WDDDXSRIPXJXSF-GCJKJVERSA-N 0 0 403.522 5.806 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2cccc3ccccc32)c2ccccc2O1 ZINC000222977419 568532945 /nfs/dbraw/zinc/53/29/45/568532945.db2.gz WDDDXSRIPXJXSF-PGRDOPGGSA-N 0 0 403.522 5.806 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2cccc3ccccc32)c2ccccc2O1 ZINC000222977483 568532878 /nfs/dbraw/zinc/53/28/78/568532878.db2.gz WDDDXSRIPXJXSF-AVRDEDQJSA-N 0 0 403.522 5.806 40 0 HKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(OCC)cc1 ZINC000222977684 568532957 /nfs/dbraw/zinc/53/29/57/568532957.db2.gz WTTBFEHSKDOTJM-GOTSBHOMSA-N 0 0 420.582 5.044 40 0 HKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222977741 568532959 /nfs/dbraw/zinc/53/29/59/568532959.db2.gz FPLPRNLQNRFRNE-OAQYLSRUSA-N 0 0 422.613 5.250 40 0 HKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(OCC)cc1 ZINC000222977744 568532894 /nfs/dbraw/zinc/53/28/94/568532894.db2.gz WTTBFEHSKDOTJM-PKTZIBPZSA-N 0 0 420.582 5.044 40 0 HKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222977798 568532865 /nfs/dbraw/zinc/53/28/65/568532865.db2.gz FPLPRNLQNRFRNE-NRFANRHFSA-N 0 0 422.613 5.250 40 0 HKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(OCC)cc1 ZINC000222977805 568532917 /nfs/dbraw/zinc/53/29/17/568532917.db2.gz WTTBFEHSKDOTJM-XZOQPEGZSA-N 0 0 420.582 5.044 40 0 HKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(OCC)cc1 ZINC000222977867 568532956 /nfs/dbraw/zinc/53/29/56/568532956.db2.gz WTTBFEHSKDOTJM-DHIUTWEWSA-N 0 0 420.582 5.044 40 0 HKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)c(C)c1 ZINC000222978998 568533000 /nfs/dbraw/zinc/53/30/00/568533000.db2.gz CQEOXIWYYVVEPE-GOTSBHOMSA-N 0 0 404.583 5.262 40 0 HKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)c(C)c1 ZINC000222979066 568533050 /nfs/dbraw/zinc/53/30/50/568533050.db2.gz CQEOXIWYYVVEPE-PKTZIBPZSA-N 0 0 404.583 5.262 40 0 HKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)c(C)c1 ZINC000222979129 568533046 /nfs/dbraw/zinc/53/30/46/568533046.db2.gz CQEOXIWYYVVEPE-XZOQPEGZSA-N 0 0 404.583 5.262 40 0 HKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)c(C)c1 ZINC000222979183 568533017 /nfs/dbraw/zinc/53/30/17/568533017.db2.gz CQEOXIWYYVVEPE-DHIUTWEWSA-N 0 0 404.583 5.262 40 0 HKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 ZINC000222980314 568533024 /nfs/dbraw/zinc/53/30/24/568533024.db2.gz VMIYLJBYZMOUFY-SFTDATJTSA-N 0 0 409.580 5.598 40 0 HKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 ZINC000222980372 568533057 /nfs/dbraw/zinc/53/30/57/568533057.db2.gz VMIYLJBYZMOUFY-RTWAWAEBSA-N 0 0 409.580 5.598 40 0 HKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 ZINC000222980441 568532985 /nfs/dbraw/zinc/53/29/85/568532985.db2.gz VMIYLJBYZMOUFY-LEWJYISDSA-N 0 0 409.580 5.598 40 0 HKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 ZINC000222980503 568533004 /nfs/dbraw/zinc/53/30/04/568533004.db2.gz VMIYLJBYZMOUFY-NHCUHLMSSA-N 0 0 409.580 5.598 40 0 HKABRN C[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000222980941 568533010 /nfs/dbraw/zinc/53/30/10/568533010.db2.gz VSUVEASAPOZPEL-GOSISDBHSA-N 0 0 419.952 6.289 40 0 HKABRN C[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000222981005 568532989 /nfs/dbraw/zinc/53/29/89/568532989.db2.gz VSUVEASAPOZPEL-SFHVURJKSA-N 0 0 419.952 6.289 40 0 HKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000222981364 568533146 /nfs/dbraw/zinc/53/31/46/568533146.db2.gz DFQWRJXYXCPCND-SFTDATJTSA-N 0 0 411.958 5.768 40 0 HKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000222981416 568533098 /nfs/dbraw/zinc/53/30/98/568533098.db2.gz DFQWRJXYXCPCND-RTWAWAEBSA-N 0 0 411.958 5.768 40 0 HKABRN C[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc2c(c1)CCCC2 ZINC000222981455 568533111 /nfs/dbraw/zinc/53/31/11/568533111.db2.gz FKCGKDBRRWWYIR-GOSISDBHSA-N 0 0 419.952 6.289 40 0 HKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000222981478 568533102 /nfs/dbraw/zinc/53/31/02/568533102.db2.gz DFQWRJXYXCPCND-LEWJYISDSA-N 0 0 411.958 5.768 40 0 HKABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000222981483 568533118 /nfs/dbraw/zinc/53/31/18/568533118.db2.gz UKWIFHVSWAUHQH-XMMPIXPASA-N 0 0 405.563 6.392 40 0 HKABRN C[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc2c(c1)CCCC2 ZINC000222981512 568533093 /nfs/dbraw/zinc/53/30/93/568533093.db2.gz FKCGKDBRRWWYIR-SFHVURJKSA-N 0 0 419.952 6.289 40 0 HKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000222981538 568533120 /nfs/dbraw/zinc/53/31/20/568533120.db2.gz DFQWRJXYXCPCND-NHCUHLMSSA-N 0 0 411.958 5.768 40 0 HKABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000222981550 568533094 /nfs/dbraw/zinc/53/30/94/568533094.db2.gz UKWIFHVSWAUHQH-DEOSSOPVSA-N 0 0 405.563 6.392 40 0 HKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(OCC)cc2)o1 ZINC000222982127 568533106 /nfs/dbraw/zinc/53/31/06/568533106.db2.gz OWBMVOCVNLRCMJ-GOTSBHOMSA-N 0 0 421.566 5.513 40 0 HKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(OCC)cc2)o1 ZINC000222982189 568533133 /nfs/dbraw/zinc/53/31/33/568533133.db2.gz OWBMVOCVNLRCMJ-PKTZIBPZSA-N 0 0 421.566 5.513 40 0 HKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(OCC)cc2)o1 ZINC000222982244 568533131 /nfs/dbraw/zinc/53/31/31/568533131.db2.gz OWBMVOCVNLRCMJ-XZOQPEGZSA-N 0 0 421.566 5.513 40 0 HKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(OCC)cc2)o1 ZINC000222982305 568533100 /nfs/dbraw/zinc/53/31/00/568533100.db2.gz OWBMVOCVNLRCMJ-DHIUTWEWSA-N 0 0 421.566 5.513 40 0 HKABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000222983053 568533112 /nfs/dbraw/zinc/53/31/12/568533112.db2.gz WJTCOZSPCCVNPC-HXUWFJFHSA-N 0 0 409.954 5.303 40 0 HKABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000222983109 568533231 /nfs/dbraw/zinc/53/32/31/568533231.db2.gz WJTCOZSPCCVNPC-FQEVSTJZSA-N 0 0 409.954 5.303 40 0 HKABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000222983896 568533213 /nfs/dbraw/zinc/53/32/13/568533213.db2.gz KKFFNQDXCZSKAY-HSZRJFAPSA-N 0 0 408.542 5.162 40 0 HKABRN O=C(COc1cccc2c1CCCC2)NCCSCc1c(Cl)cccc1Cl ZINC000222983912 568533245 /nfs/dbraw/zinc/53/32/45/568533245.db2.gz GMSKVWCSMKABIP-UHFFFAOYSA-N 0 0 424.393 5.301 40 0 HKABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000222983965 568533240 /nfs/dbraw/zinc/53/32/40/568533240.db2.gz KKFFNQDXCZSKAY-QHCPKHFHSA-N 0 0 408.542 5.162 40 0 HKABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000222984198 568533249 /nfs/dbraw/zinc/53/32/49/568533249.db2.gz MBRZKEQZVAAWLE-XMMPIXPASA-N 0 0 416.521 5.030 40 0 HKABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000222984253 568533241 /nfs/dbraw/zinc/53/32/41/568533241.db2.gz MBRZKEQZVAAWLE-DEOSSOPVSA-N 0 0 416.521 5.030 40 0 HKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222987095 568533331 /nfs/dbraw/zinc/53/33/31/568533331.db2.gz STICXHPZLBWSAV-OAQYLSRUSA-N 0 0 408.586 5.076 40 0 HKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000222987152 568533337 /nfs/dbraw/zinc/53/33/37/568533337.db2.gz STICXHPZLBWSAV-NRFANRHFSA-N 0 0 408.586 5.076 40 0 HKABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000222987454 568533329 /nfs/dbraw/zinc/53/33/29/568533329.db2.gz ILIAZXPIWOIZTA-JOCHJYFZSA-N 0 0 409.913 6.545 40 0 HKABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000222987515 568533335 /nfs/dbraw/zinc/53/33/35/568533335.db2.gz ILIAZXPIWOIZTA-QFIPXVFZSA-N 0 0 409.913 6.545 40 0 HKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2ccccc2)c1C ZINC000222988515 568533370 /nfs/dbraw/zinc/53/33/70/568533370.db2.gz FDEHRSZWUXVJNC-ZEQRLZLVSA-N 0 0 418.610 5.570 40 0 HKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2ccccc2)c1C ZINC000222988571 568533367 /nfs/dbraw/zinc/53/33/67/568533367.db2.gz FDEHRSZWUXVJNC-RPWUZVMVSA-N 0 0 418.610 5.570 40 0 HKABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2ccccc2)c1C ZINC000222988631 568533375 /nfs/dbraw/zinc/53/33/75/568533375.db2.gz FDEHRSZWUXVJNC-BJKOFHAPSA-N 0 0 418.610 5.570 40 0 HKABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2ccccc2)c1C ZINC000222988697 568533380 /nfs/dbraw/zinc/53/33/80/568533380.db2.gz FDEHRSZWUXVJNC-DNQXCXABSA-N 0 0 418.610 5.570 40 0 HKABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000222989381 568533359 /nfs/dbraw/zinc/53/33/59/568533359.db2.gz LCZYCHSYKVKHCX-HSZRJFAPSA-N 0 0 408.542 5.116 40 0 HKABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000222989432 568533365 /nfs/dbraw/zinc/53/33/65/568533365.db2.gz LCZYCHSYKVKHCX-QHCPKHFHSA-N 0 0 408.542 5.116 40 0 HKABRN Cc1ccc(-c2nnc(NC(=O)CSCc3c(F)cccc3Cl)s2)cc1 ZINC000222990405 568533498 /nfs/dbraw/zinc/53/34/98/568533498.db2.gz GHGHFCJARISMPV-UHFFFAOYSA-N 0 0 407.923 5.178 40 0 HKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000222991265 568533487 /nfs/dbraw/zinc/53/34/87/568533487.db2.gz KHURNUAZMQCSPC-OAQYLSRUSA-N 0 0 416.565 5.106 40 0 HKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000222991324 568533490 /nfs/dbraw/zinc/53/34/90/568533490.db2.gz KHURNUAZMQCSPC-NRFANRHFSA-N 0 0 416.565 5.106 40 0 HKABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000222991750 568533468 /nfs/dbraw/zinc/53/34/68/568533468.db2.gz YWBOISULVAHABY-AUJBFMOVSA-N 0 0 417.593 6.567 40 0 HKABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000222991814 568533507 /nfs/dbraw/zinc/53/35/07/568533507.db2.gz YWBOISULVAHABY-MFWYUJQYSA-N 0 0 417.593 6.567 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccc2O1 ZINC000222993352 568533626 /nfs/dbraw/zinc/53/36/26/568533626.db2.gz IDIZLLXLEWVGEU-YLJYHZDGSA-N 0 0 415.961 5.923 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccc2O1 ZINC000222993423 568533622 /nfs/dbraw/zinc/53/36/22/568533622.db2.gz IDIZLLXLEWVGEU-XLIONFOSSA-N 0 0 415.961 5.923 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccc2O1 ZINC000222993479 568533619 /nfs/dbraw/zinc/53/36/19/568533619.db2.gz IDIZLLXLEWVGEU-FXAWDEMLSA-N 0 0 415.961 5.923 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccc2O1 ZINC000222993545 568533616 /nfs/dbraw/zinc/53/36/16/568533616.db2.gz IDIZLLXLEWVGEU-PXNSSMCTSA-N 0 0 415.961 5.923 40 0 HKABRN C[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000222993929 568533608 /nfs/dbraw/zinc/53/36/08/568533608.db2.gz FBSFMCAMAFFABY-CQSZACIVSA-N 0 0 408.394 5.983 40 0 HKABRN C[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000222993982 568533627 /nfs/dbraw/zinc/53/36/27/568533627.db2.gz FBSFMCAMAFFABY-AWEZNQCLSA-N 0 0 408.394 5.983 40 0 HKABRN C[C@@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCCC2 ZINC000222994074 568533649 /nfs/dbraw/zinc/53/36/49/568533649.db2.gz VPQRXCTVXJRZDU-CQSZACIVSA-N 0 0 408.394 5.983 40 0 HKABRN C[C@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCCC2 ZINC000222994144 568533597 /nfs/dbraw/zinc/53/35/97/568533597.db2.gz VPQRXCTVXJRZDU-AWEZNQCLSA-N 0 0 408.394 5.983 40 0 HKABRN CCCSc1nnc(NC(=O)CSCc2c(Cl)cccc2Cl)s1 ZINC000222996714 568533762 /nfs/dbraw/zinc/53/37/62/568533762.db2.gz SAXAVVSEZIJJNP-UHFFFAOYSA-N 0 0 408.401 5.219 40 0 HKABRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C(C)C ZINC000223004191 568533999 /nfs/dbraw/zinc/53/39/99/568533999.db2.gz RGZOFRXRDRXOJV-KRWDZBQOSA-N 0 0 401.572 5.045 40 0 HKABRN COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1C(C)C ZINC000223004250 568534022 /nfs/dbraw/zinc/53/40/22/568534022.db2.gz RGZOFRXRDRXOJV-QGZVFWFLSA-N 0 0 401.572 5.045 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000223005728 568534167 /nfs/dbraw/zinc/53/41/67/568534167.db2.gz MAMWMCPBTFDALV-XMMPIXPASA-N 0 0 407.941 6.035 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000223005791 568534116 /nfs/dbraw/zinc/53/41/16/568534116.db2.gz MAMWMCPBTFDALV-DEOSSOPVSA-N 0 0 407.941 6.035 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1ccccc1Cl ZINC000223009849 568534220 /nfs/dbraw/zinc/53/42/20/568534220.db2.gz CJXPHLWXWGVUIW-LJQANCHMSA-N 0 0 412.382 5.509 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1ccccc1Cl ZINC000223009905 568534251 /nfs/dbraw/zinc/53/42/51/568534251.db2.gz CJXPHLWXWGVUIW-IBGZPJMESA-N 0 0 412.382 5.509 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1cccc(Cl)c1 ZINC000223009981 568534240 /nfs/dbraw/zinc/53/42/40/568534240.db2.gz WKKSUNVRUNQEFS-LJQANCHMSA-N 0 0 412.382 5.509 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1cccc(Cl)c1 ZINC000223010041 568534234 /nfs/dbraw/zinc/53/42/34/568534234.db2.gz WKKSUNVRUNQEFS-IBGZPJMESA-N 0 0 412.382 5.509 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000223010112 568534222 /nfs/dbraw/zinc/53/42/22/568534222.db2.gz DWDWOSRCTRSYTH-LJQANCHMSA-N 0 0 412.382 5.509 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000223010166 568534238 /nfs/dbraw/zinc/53/42/38/568534238.db2.gz DWDWOSRCTRSYTH-IBGZPJMESA-N 0 0 412.382 5.509 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CCc3ccc(F)cc3)c2)cc1 ZINC000223011792 568534286 /nfs/dbraw/zinc/53/42/86/568534286.db2.gz KDCBSWKEVGZFTG-UHFFFAOYSA-N 0 0 403.497 5.926 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000223012113 568534288 /nfs/dbraw/zinc/53/42/88/568534288.db2.gz VJGHTTSKZQJZTJ-MRXNPFEDSA-N 0 0 406.231 6.117 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000223012168 568534209 /nfs/dbraw/zinc/53/42/09/568534209.db2.gz VJGHTTSKZQJZTJ-INIZCTEOSA-N 0 0 406.231 6.117 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000223012253 568534341 /nfs/dbraw/zinc/53/43/41/568534341.db2.gz VCZJJGCZARXJIQ-HSZRJFAPSA-N 0 0 409.913 6.024 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000223012313 568534346 /nfs/dbraw/zinc/53/43/46/568534346.db2.gz VCZJJGCZARXJIQ-QHCPKHFHSA-N 0 0 409.913 6.024 40 0 HKABRN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)c1 ZINC000223017013 568534343 /nfs/dbraw/zinc/53/43/43/568534343.db2.gz CTZDQDDOAABVIS-QGZVFWFLSA-N 0 0 407.535 5.487 40 0 HKABRN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)c1 ZINC000223017070 568534504 /nfs/dbraw/zinc/53/45/04/568534504.db2.gz CTZDQDDOAABVIS-KRWDZBQOSA-N 0 0 407.535 5.487 40 0 HKABRN CC[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)CCCC2 ZINC000223017186 568534501 /nfs/dbraw/zinc/53/45/01/568534501.db2.gz VZTPVEUKUXDTMN-AREMUKBSSA-N 0 0 415.602 6.739 40 0 HKABRN CC[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)CCCC2 ZINC000223017250 568534444 /nfs/dbraw/zinc/53/44/44/568534444.db2.gz VZTPVEUKUXDTMN-SANMLTNESA-N 0 0 415.602 6.739 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000223017710 568534474 /nfs/dbraw/zinc/53/44/74/568534474.db2.gz HZAHBDZMQNKRPF-OAQYLSRUSA-N 0 0 421.368 5.116 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000223017759 568534418 /nfs/dbraw/zinc/53/44/18/568534418.db2.gz HZAHBDZMQNKRPF-NRFANRHFSA-N 0 0 421.368 5.116 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000223018135 568534478 /nfs/dbraw/zinc/53/44/78/568534478.db2.gz CPYFQKOXNCKOTA-MRXNPFEDSA-N 0 0 421.946 5.171 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000223018193 568534437 /nfs/dbraw/zinc/53/44/37/568534437.db2.gz CPYFQKOXNCKOTA-INIZCTEOSA-N 0 0 421.946 5.171 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Br)cc1F ZINC000223019425 568534502 /nfs/dbraw/zinc/53/45/02/568534502.db2.gz ZMFRARAAPFTIFU-MRXNPFEDSA-N 0 0 400.675 5.346 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Br)cc1F ZINC000223019484 568534458 /nfs/dbraw/zinc/53/44/58/568534458.db2.gz ZMFRARAAPFTIFU-INIZCTEOSA-N 0 0 400.675 5.346 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000223021185 568534484 /nfs/dbraw/zinc/53/44/84/568534484.db2.gz OGXOETMMFFJXET-OAQYLSRUSA-N 0 0 414.933 5.071 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000223021249 568534446 /nfs/dbraw/zinc/53/44/46/568534446.db2.gz OGXOETMMFFJXET-NRFANRHFSA-N 0 0 414.933 5.071 40 0 HKABRN CC[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223022199 568534574 /nfs/dbraw/zinc/53/45/74/568534574.db2.gz UCNYCXWJIGEZGT-OAQYLSRUSA-N 0 0 422.421 6.373 40 0 HKABRN CC[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223022252 568534593 /nfs/dbraw/zinc/53/45/93/568534593.db2.gz UCNYCXWJIGEZGT-NRFANRHFSA-N 0 0 422.421 6.373 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)cc1 ZINC000223022441 568534584 /nfs/dbraw/zinc/53/45/84/568534584.db2.gz PZENFMQUXLBQBO-HXUWFJFHSA-N 0 0 403.906 5.401 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)cc1 ZINC000223022496 568534561 /nfs/dbraw/zinc/53/45/61/568534561.db2.gz PZENFMQUXLBQBO-FQEVSTJZSA-N 0 0 403.906 5.401 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000223022846 568534557 /nfs/dbraw/zinc/53/45/57/568534557.db2.gz QWYBDZRNCSJTDA-XMMPIXPASA-N 0 0 401.506 6.154 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000223022912 568534564 /nfs/dbraw/zinc/53/45/64/568534564.db2.gz QWYBDZRNCSJTDA-DEOSSOPVSA-N 0 0 401.506 6.154 40 0 HKABRN CC[C@@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223023974 568534562 /nfs/dbraw/zinc/53/45/62/568534562.db2.gz IYTZUQYXNQTYND-OAQYLSRUSA-N 0 0 405.966 5.859 40 0 HKABRN CC[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223024035 568534566 /nfs/dbraw/zinc/53/45/66/568534566.db2.gz IYTZUQYXNQTYND-NRFANRHFSA-N 0 0 405.966 5.859 40 0 HKABRN CC[C@@H](NC(=O)c1ccc(I)cc1)c1ccc2c(c1)CCCC2 ZINC000223024275 568534576 /nfs/dbraw/zinc/53/45/76/568534576.db2.gz ZQPWFHQOLQRQSR-LJQANCHMSA-N 0 0 419.306 5.051 40 0 HKABRN CC[C@H](NC(=O)c1ccc(I)cc1)c1ccc2c(c1)CCCC2 ZINC000223024667 568534645 /nfs/dbraw/zinc/53/46/45/568534645.db2.gz ZQPWFHQOLQRQSR-IBGZPJMESA-N 0 0 419.306 5.051 40 0 HKABRN CC[C@@H](NC(=O)c1ccccc1I)c1ccc2c(c1)CCCC2 ZINC000223024756 568534708 /nfs/dbraw/zinc/53/47/08/568534708.db2.gz KLEYHKUHRPTGQC-LJQANCHMSA-N 0 0 419.306 5.051 40 0 HKABRN CC[C@H](NC(=O)c1ccccc1I)c1ccc2c(c1)CCCC2 ZINC000223024810 568534648 /nfs/dbraw/zinc/53/46/48/568534648.db2.gz KLEYHKUHRPTGQC-IBGZPJMESA-N 0 0 419.306 5.051 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000223028048 568534779 /nfs/dbraw/zinc/53/47/79/568534779.db2.gz QFPUQOYLXXAMLB-JOCHJYFZSA-N 0 0 407.897 5.676 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000223028116 568534790 /nfs/dbraw/zinc/53/47/90/568534790.db2.gz QFPUQOYLXXAMLB-QFIPXVFZSA-N 0 0 407.897 5.676 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1cccc(OC(C)C)c1 ZINC000223028189 568534760 /nfs/dbraw/zinc/53/47/60/568534760.db2.gz ROCHZHVMBYQCJH-JOCHJYFZSA-N 0 0 403.950 5.342 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1cccc(OC(C)C)c1 ZINC000223028247 568534805 /nfs/dbraw/zinc/53/48/05/568534805.db2.gz ROCHZHVMBYQCJH-QFIPXVFZSA-N 0 0 403.950 5.342 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000223028335 568534798 /nfs/dbraw/zinc/53/47/98/568534798.db2.gz GPUNYOQOPVZUDE-JOCHJYFZSA-N 0 0 403.950 5.342 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000223028396 568534763 /nfs/dbraw/zinc/53/47/63/568534763.db2.gz GPUNYOQOPVZUDE-QFIPXVFZSA-N 0 0 403.950 5.342 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 ZINC000223029476 568534773 /nfs/dbraw/zinc/53/47/73/568534773.db2.gz LMBZICSLFBCVDE-FCHUYYIVSA-N 0 0 403.950 5.718 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 ZINC000223029524 568534771 /nfs/dbraw/zinc/53/47/71/568534771.db2.gz LMBZICSLFBCVDE-VXKWHMMOSA-N 0 0 403.950 5.718 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 ZINC000223029583 568534802 /nfs/dbraw/zinc/53/48/02/568534802.db2.gz LMBZICSLFBCVDE-FGZHOGPDSA-N 0 0 403.950 5.718 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 ZINC000223029650 568534777 /nfs/dbraw/zinc/53/47/77/568534777.db2.gz LMBZICSLFBCVDE-YADHBBJMSA-N 0 0 403.950 5.718 40 0 HKABRN CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)ccc1Cl ZINC000223030007 568534789 /nfs/dbraw/zinc/53/47/89/568534789.db2.gz PZKYGJMTGJKYJP-GOSISDBHSA-N 0 0 410.297 5.275 40 0 HKABRN CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)ccc1Cl ZINC000223030064 568534780 /nfs/dbraw/zinc/53/47/80/568534780.db2.gz PZKYGJMTGJKYJP-SFHVURJKSA-N 0 0 410.297 5.275 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)cc1Cl ZINC000223030152 568534889 /nfs/dbraw/zinc/53/48/89/568534889.db2.gz VBMZTVAHCJWMGM-GOSISDBHSA-N 0 0 410.297 5.275 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)cc1Cl ZINC000223030217 568534893 /nfs/dbraw/zinc/53/48/93/568534893.db2.gz VBMZTVAHCJWMGM-SFHVURJKSA-N 0 0 410.297 5.275 40 0 HKABRN COc1ccc2cc(S(=O)(=O)N[C@@H](c3ccccc3)c3ccc(C)cc3)ccc2c1 ZINC000223030401 568534913 /nfs/dbraw/zinc/53/49/13/568534913.db2.gz XFIHHZPRHULXRU-VWLOTQADSA-N 0 0 417.530 5.225 40 0 HKABRN CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1 ZINC000223030452 568534933 /nfs/dbraw/zinc/53/49/33/568534933.db2.gz GXQQRYNCEXZUNJ-OAQYLSRUSA-N 0 0 403.950 5.344 40 0 HKABRN COc1ccc2cc(S(=O)(=O)N[C@H](c3ccccc3)c3ccc(C)cc3)ccc2c1 ZINC000223030453 568534934 /nfs/dbraw/zinc/53/49/34/568534934.db2.gz XFIHHZPRHULXRU-RUZDIDTESA-N 0 0 417.530 5.225 40 0 HKABRN CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc(Cl)c(C)c1 ZINC000223030519 568534931 /nfs/dbraw/zinc/53/49/31/568534931.db2.gz GXQQRYNCEXZUNJ-NRFANRHFSA-N 0 0 403.950 5.344 40 0 HKABRN CCOc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1Cl ZINC000223031060 568534929 /nfs/dbraw/zinc/53/49/29/568534929.db2.gz KRFHBPRHVVUWAW-UHFFFAOYSA-N 0 0 402.318 5.194 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000223031641 568534936 /nfs/dbraw/zinc/53/49/36/568534936.db2.gz PVFYGGCDNVHJGF-WOJBJXKFSA-N 0 0 401.934 5.533 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000223031699 568534922 /nfs/dbraw/zinc/53/49/22/568534922.db2.gz PVFYGGCDNVHJGF-UXHICEINSA-N 0 0 401.934 5.533 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000223031768 568534924 /nfs/dbraw/zinc/53/49/24/568534924.db2.gz PVFYGGCDNVHJGF-VQTJNVASSA-N 0 0 401.934 5.533 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000223031825 568534886 /nfs/dbraw/zinc/53/48/86/568534886.db2.gz PVFYGGCDNVHJGF-PMACEKPBSA-N 0 0 401.934 5.533 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000223031903 568534919 /nfs/dbraw/zinc/53/49/19/568534919.db2.gz UEROSWIWHSFTFY-WOJBJXKFSA-N 0 0 401.934 5.533 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000223031957 568534891 /nfs/dbraw/zinc/53/48/91/568534891.db2.gz UEROSWIWHSFTFY-UXHICEINSA-N 0 0 401.934 5.533 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000223032014 568534883 /nfs/dbraw/zinc/53/48/83/568534883.db2.gz UEROSWIWHSFTFY-VQTJNVASSA-N 0 0 401.934 5.533 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000223032072 568534901 /nfs/dbraw/zinc/53/49/01/568534901.db2.gz UEROSWIWHSFTFY-PMACEKPBSA-N 0 0 401.934 5.533 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000223032163 568534921 /nfs/dbraw/zinc/53/49/21/568534921.db2.gz SLUNHTSNAVHJMK-WOJBJXKFSA-N 0 0 417.933 5.233 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000223032221 568534915 /nfs/dbraw/zinc/53/49/15/568534915.db2.gz SLUNHTSNAVHJMK-UXHICEINSA-N 0 0 417.933 5.233 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000223032286 568534900 /nfs/dbraw/zinc/53/49/00/568534900.db2.gz SLUNHTSNAVHJMK-VQTJNVASSA-N 0 0 417.933 5.233 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000223032345 568534910 /nfs/dbraw/zinc/53/49/10/568534910.db2.gz SLUNHTSNAVHJMK-PMACEKPBSA-N 0 0 417.933 5.233 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000223032430 568534879 /nfs/dbraw/zinc/53/48/79/568534879.db2.gz PPIFXDFZZXTFSJ-WOJBJXKFSA-N 0 0 417.933 5.233 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000223032488 568534909 /nfs/dbraw/zinc/53/49/09/568534909.db2.gz PPIFXDFZZXTFSJ-UXHICEINSA-N 0 0 417.933 5.233 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000223032562 568534890 /nfs/dbraw/zinc/53/48/90/568534890.db2.gz PPIFXDFZZXTFSJ-VQTJNVASSA-N 0 0 417.933 5.233 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000223032625 568534894 /nfs/dbraw/zinc/53/48/94/568534894.db2.gz PPIFXDFZZXTFSJ-PMACEKPBSA-N 0 0 417.933 5.233 40 0 HKABRN CC(C)CSc1nnc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)s1 ZINC000223032922 568534899 /nfs/dbraw/zinc/53/48/99/568534899.db2.gz CBUSNCKHJHCRPI-UHFFFAOYSA-N 0 0 422.428 5.465 40 0 HKABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1)c1ccc(OC)c(OC)c1 ZINC000223033204 568535049 /nfs/dbraw/zinc/53/50/49/568535049.db2.gz NFLJCVPXODPYRA-RTBURBONSA-N 0 0 405.922 5.091 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000223033268 568535037 /nfs/dbraw/zinc/53/50/37/568535037.db2.gz NFLJCVPXODPYRA-RBUKOAKNSA-N 0 0 405.922 5.091 40 0 HKABRN CC[C@@H](NC(=O)[C@H](CC)Oc1ccc(Cl)c(C)c1)c1ccc(OC)c(OC)c1 ZINC000223033327 568535040 /nfs/dbraw/zinc/53/50/40/568535040.db2.gz NFLJCVPXODPYRA-MOPGFXCFSA-N 0 0 405.922 5.091 40 0 HKABRN CC[C@H](NC(=O)[C@H](CC)Oc1ccc(Cl)c(C)c1)c1ccc(OC)c(OC)c1 ZINC000223033380 568535003 /nfs/dbraw/zinc/53/50/03/568535003.db2.gz NFLJCVPXODPYRA-OALUTQOASA-N 0 0 405.922 5.091 40 0 HKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223036015 568535187 /nfs/dbraw/zinc/53/51/87/568535187.db2.gz ZENHXNMUSQAFQL-JOCHJYFZSA-N 0 0 422.613 5.385 40 0 HKABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223036077 568535122 /nfs/dbraw/zinc/53/51/22/568535122.db2.gz ZENHXNMUSQAFQL-QFIPXVFZSA-N 0 0 422.613 5.385 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000223040601 568535242 /nfs/dbraw/zinc/53/52/42/568535242.db2.gz GWXKQJYILQEFEL-RUZDIDTESA-N 0 0 409.570 5.259 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000223040655 568535297 /nfs/dbraw/zinc/53/52/97/568535297.db2.gz GWXKQJYILQEFEL-VWLOTQADSA-N 0 0 409.570 5.259 40 0 HKABRN CCCSc1nnc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)s1 ZINC000223041408 568535267 /nfs/dbraw/zinc/53/52/67/568535267.db2.gz KGCINSBXDBWYBA-UHFFFAOYSA-N 0 0 419.959 5.525 40 0 HKABRN COc1ccc(-c2nnc(NC(=O)CCc3ccc(-c4ccc(C)cc4)o3)s2)cc1 ZINC000223045532 568535505 /nfs/dbraw/zinc/53/55/05/568535505.db2.gz ONOYIEHLWHIXQV-UHFFFAOYSA-N 0 0 419.506 5.353 40 0 HKABRN CCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000223049335 568535530 /nfs/dbraw/zinc/53/55/30/568535530.db2.gz HFXMKVHNSKNXQH-VWLOTQADSA-N 0 0 418.581 5.043 40 0 HKABRN CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000223049408 568535602 /nfs/dbraw/zinc/53/56/02/568535602.db2.gz HFXMKVHNSKNXQH-RUZDIDTESA-N 0 0 418.581 5.043 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)c2cccc(OCc3ccccc3)c2)c2ccccc2O1 ZINC000223051042 568535738 /nfs/dbraw/zinc/53/57/38/568535738.db2.gz PFVWGRNYYKLKGB-XMMPIXPASA-N 0 0 415.533 6.078 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)c2cccc(OCc3ccccc3)c2)c2ccccc2O1 ZINC000223051094 568535776 /nfs/dbraw/zinc/53/57/76/568535776.db2.gz PFVWGRNYYKLKGB-DEOSSOPVSA-N 0 0 415.533 6.078 40 0 HKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223061592 568536170 /nfs/dbraw/zinc/53/61/70/568536170.db2.gz KNFHCPDAAHSWGP-GOSISDBHSA-N 0 0 413.568 5.243 40 0 HKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223061654 568536217 /nfs/dbraw/zinc/53/62/17/568536217.db2.gz KNFHCPDAAHSWGP-SFHVURJKSA-N 0 0 413.568 5.243 40 0 HKABRN CC[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223068606 568536419 /nfs/dbraw/zinc/53/64/19/568536419.db2.gz NBOBCGOYRVKSHW-RUZDIDTESA-N 0 0 415.602 6.739 40 0 HKABRN CC[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223068678 568536414 /nfs/dbraw/zinc/53/64/14/568536414.db2.gz NBOBCGOYRVKSHW-VWLOTQADSA-N 0 0 415.602 6.739 40 0 HKABRN CCSc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 ZINC000223070622 568536416 /nfs/dbraw/zinc/53/64/16/568536416.db2.gz ARMLCDJZZAZESG-HKWRFOASSA-N 0 0 422.575 5.578 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(OCc2ccccc2)cc1 ZINC000223072977 568536528 /nfs/dbraw/zinc/53/65/28/568536528.db2.gz VKGSNCHDYHQNII-UHFFFAOYSA-N 0 0 415.917 5.930 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](c1ccccc1)c1ccccc1C ZINC000223073320 568536522 /nfs/dbraw/zinc/53/65/22/568536522.db2.gz VTJWBTKPWIPABN-SXOMAYOGSA-N 0 0 413.561 5.937 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](c1ccccc1)c1ccccc1C ZINC000223073381 568536524 /nfs/dbraw/zinc/53/65/24/568536524.db2.gz VTJWBTKPWIPABN-SVBPBHIXSA-N 0 0 413.561 5.937 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](c1ccccc1)c1ccccc1C ZINC000223073437 568536530 /nfs/dbraw/zinc/53/65/30/568536530.db2.gz VTJWBTKPWIPABN-KAYWLYCHSA-N 0 0 413.561 5.937 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](c1ccccc1)c1ccccc1C ZINC000223073503 568536509 /nfs/dbraw/zinc/53/65/09/568536509.db2.gz VTJWBTKPWIPABN-RRPNLBNLSA-N 0 0 413.561 5.937 40 0 HKABRN CCc1cccc(C)c1NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 ZINC000223074127 568536503 /nfs/dbraw/zinc/53/65/03/568536503.db2.gz DEVKBNFDIQSJOL-QNGOZBTKSA-N 0 0 404.535 5.337 40 0 HKABRN C[C@@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000223075074 568536491 /nfs/dbraw/zinc/53/64/91/568536491.db2.gz SXEPYRKCXDMYCD-QGZVFWFLSA-N 0 0 418.924 5.424 40 0 HKABRN C[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000223075132 568536506 /nfs/dbraw/zinc/53/65/06/568536506.db2.gz SXEPYRKCXDMYCD-KRWDZBQOSA-N 0 0 418.924 5.424 40 0 HKABRN Cc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1C ZINC000223075383 568536653 /nfs/dbraw/zinc/53/66/53/568536653.db2.gz LGTAVGYDSYHSMX-UHFFFAOYSA-N 0 0 418.924 5.802 40 0 HKABRN Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c(C)c1 ZINC000223075465 568536641 /nfs/dbraw/zinc/53/66/41/568536641.db2.gz QOOYVZGOCWMFRB-UHFFFAOYSA-N 0 0 418.924 5.802 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1 ZINC000223075544 568536626 /nfs/dbraw/zinc/53/66/26/568536626.db2.gz MFBYRFMJOWCEIX-UHFFFAOYSA-N 0 0 418.924 5.802 40 0 HKABRN Cc1cccc(C)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000223075630 568536654 /nfs/dbraw/zinc/53/66/54/568536654.db2.gz LPGRSPBVYBNUIF-UHFFFAOYSA-N 0 0 418.924 5.802 40 0 HKABRN Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1C ZINC000223075803 568536634 /nfs/dbraw/zinc/53/66/34/568536634.db2.gz QHVNGMNMJIKLOE-UHFFFAOYSA-N 0 0 418.924 5.802 40 0 HKABRN Cc1cc(C)cc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1 ZINC000223075897 568536611 /nfs/dbraw/zinc/53/66/11/568536611.db2.gz IEXZVSTVNRQVTA-UHFFFAOYSA-N 0 0 418.924 5.802 40 0 HKABRN CCc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000223075977 568536638 /nfs/dbraw/zinc/53/66/38/568536638.db2.gz NCXBYXKSEFKIGV-UHFFFAOYSA-N 0 0 418.924 5.748 40 0 HKABRN CCc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000223076073 568536604 /nfs/dbraw/zinc/53/66/04/568536604.db2.gz TXJWWPMFQRGWQJ-UHFFFAOYSA-N 0 0 418.924 5.748 40 0 HKABRN CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000223077036 568536637 /nfs/dbraw/zinc/53/66/37/568536637.db2.gz WTFUPUUCUATYTG-HXUWFJFHSA-N 0 0 412.382 5.443 40 0 HKABRN CC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000223077094 568536647 /nfs/dbraw/zinc/53/66/47/568536647.db2.gz WTFUPUUCUATYTG-FQEVSTJZSA-N 0 0 412.382 5.443 40 0 HKABRN CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCCC2 ZINC000223077181 568536625 /nfs/dbraw/zinc/53/66/25/568536625.db2.gz FCYGBWFVRYWSAJ-HXUWFJFHSA-N 0 0 412.382 5.443 40 0 HKABRN CC[C@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCCC2 ZINC000223077238 568536640 /nfs/dbraw/zinc/53/66/40/568536640.db2.gz FCYGBWFVRYWSAJ-FQEVSTJZSA-N 0 0 412.382 5.443 40 0 HKABRN CN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000223077456 568536650 /nfs/dbraw/zinc/53/66/50/568536650.db2.gz XZBYNTPLGYWZCZ-UHFFFAOYSA-N 0 0 418.924 5.205 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000223077789 568536639 /nfs/dbraw/zinc/53/66/39/568536639.db2.gz JYKWSQWVILVLJL-JCMHNJIXSA-N 0 0 404.535 5.590 40 0 HKABRN O=C(NC1CCCCCCC1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000223078302 568536620 /nfs/dbraw/zinc/53/66/20/568536620.db2.gz WWETVSGNILSVRL-UHFFFAOYSA-N 0 0 424.972 5.776 40 0 HKABRN O=C(NCc1ccccc1Cl)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000223078816 568536593 /nfs/dbraw/zinc/53/65/93/568536593.db2.gz HIYZVZNVTIARKV-UHFFFAOYSA-N 0 0 422.887 5.002 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000223079052 568536711 /nfs/dbraw/zinc/53/67/11/568536711.db2.gz ZAGBVVGXYMJSHY-UHFFFAOYSA-N 0 0 416.496 5.542 40 0 HKABRN CC(C)c1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 ZINC000223079129 568536771 /nfs/dbraw/zinc/53/67/71/568536771.db2.gz CSZCDPKDLVMEAR-UHFFFAOYSA-N 0 0 416.496 5.794 40 0 HKABRN O=C(Nc1cccc2ccccc21)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000223079207 568536749 /nfs/dbraw/zinc/53/67/49/568536749.db2.gz YIWISDBPNKVNAX-UHFFFAOYSA-N 0 0 424.475 5.824 40 0 HKABRN CC[C@@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223079401 568536706 /nfs/dbraw/zinc/53/67/06/568536706.db2.gz AOACAAXJSAUZAT-HXUWFJFHSA-N 0 0 412.382 5.443 40 0 HKABRN CC[C@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223079467 568536736 /nfs/dbraw/zinc/53/67/36/568536736.db2.gz AOACAAXJSAUZAT-FQEVSTJZSA-N 0 0 412.382 5.443 40 0 HKABRN Cc1cc(C)c(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c(C)c1 ZINC000223081177 568536766 /nfs/dbraw/zinc/53/67/66/568536766.db2.gz LGNXMFPGIWQQBI-UHFFFAOYSA-N 0 0 416.496 5.596 40 0 HKABRN CC[C@@H](NC(=O)COc1ccc(Br)c(C)c1)c1ccc2c(c1)CCCC2 ZINC000223081349 568536751 /nfs/dbraw/zinc/53/67/51/568536751.db2.gz LJZBBPKOBSTAQX-OAQYLSRUSA-N 0 0 416.359 5.283 40 0 HKABRN CC[C@H](NC(=O)COc1ccc(Br)c(C)c1)c1ccc2c(c1)CCCC2 ZINC000223081388 568536754 /nfs/dbraw/zinc/53/67/54/568536754.db2.gz LJZBBPKOBSTAQX-NRFANRHFSA-N 0 0 416.359 5.283 40 0 HKABRN O=C(NC1CCCCCCC1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000223081428 568536733 /nfs/dbraw/zinc/53/67/33/568536733.db2.gz WINOBOFMIHPVGM-UHFFFAOYSA-N 0 0 408.517 5.261 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1C1CCCCC1 ZINC000223081740 568536827 /nfs/dbraw/zinc/53/68/27/568536827.db2.gz RKUOJEKHFPWLBT-DLBZAZTESA-N 0 0 422.417 5.211 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1C1CCCCC1 ZINC000223081795 568536846 /nfs/dbraw/zinc/53/68/46/568536846.db2.gz RKUOJEKHFPWLBT-IAGOWNOFSA-N 0 0 422.417 5.211 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1C1CCCCC1 ZINC000223081844 568536835 /nfs/dbraw/zinc/53/68/35/568536835.db2.gz RKUOJEKHFPWLBT-IRXDYDNUSA-N 0 0 422.417 5.211 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1C1CCCCC1 ZINC000223081903 568536789 /nfs/dbraw/zinc/53/67/89/568536789.db2.gz RKUOJEKHFPWLBT-SJORKVTESA-N 0 0 422.417 5.211 40 0 HKABRN C[C@@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000223081936 568536805 /nfs/dbraw/zinc/53/68/05/568536805.db2.gz MGYHVCKETDPJIS-MRXNPFEDSA-N 0 0 420.459 5.049 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1C1CCCCC1 ZINC000223081989 568536818 /nfs/dbraw/zinc/53/68/18/568536818.db2.gz DAJCWOSVQDGLGR-DLBZAZTESA-N 0 0 422.417 5.211 40 0 HKABRN C[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000223081997 568536793 /nfs/dbraw/zinc/53/67/93/568536793.db2.gz MGYHVCKETDPJIS-INIZCTEOSA-N 0 0 420.459 5.049 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1C1CCCCC1 ZINC000223082046 568536868 /nfs/dbraw/zinc/53/68/68/568536868.db2.gz DAJCWOSVQDGLGR-IAGOWNOFSA-N 0 0 422.417 5.211 40 0 HKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)NCc4ccccc4Cl)ccc32)c1 ZINC000223082087 568536803 /nfs/dbraw/zinc/53/68/03/568536803.db2.gz JEUFKTZEVJYLAL-UHFFFAOYSA-N 0 0 418.924 5.171 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1C1CCCCC1 ZINC000223082107 568536829 /nfs/dbraw/zinc/53/68/29/568536829.db2.gz DAJCWOSVQDGLGR-IRXDYDNUSA-N 0 0 422.417 5.211 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1C1CCCCC1 ZINC000223082162 568536797 /nfs/dbraw/zinc/53/67/97/568536797.db2.gz DAJCWOSVQDGLGR-SJORKVTESA-N 0 0 422.417 5.211 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 ZINC000223082422 568536810 /nfs/dbraw/zinc/53/68/10/568536810.db2.gz APWDYHGZPYGSHT-UHFFFAOYSA-N 0 0 412.533 5.711 40 0 HKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(C(C)C)cc4)ccc32)c1 ZINC000223082663 568536826 /nfs/dbraw/zinc/53/68/26/568536826.db2.gz NIDYUCHDWYJHEB-UHFFFAOYSA-N 0 0 412.533 5.964 40 0 HKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc5ccccc54)ccc32)c1 ZINC000223082743 568536936 /nfs/dbraw/zinc/53/69/36/568536936.db2.gz DHVHIASMELLEMW-UHFFFAOYSA-N 0 0 420.512 5.994 40 0 HKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc(Cl)c4C)ccc32)c1 ZINC000223083050 568536917 /nfs/dbraw/zinc/53/69/17/568536917.db2.gz KOKFRRFOQMNNEE-UHFFFAOYSA-N 0 0 418.924 5.802 40 0 HKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(Cl)cc4C)ccc32)c1 ZINC000223083137 568536921 /nfs/dbraw/zinc/53/69/21/568536921.db2.gz ADEVTNUAZWCCNI-UHFFFAOYSA-N 0 0 418.924 5.802 40 0 HKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cc(Cl)ccc4C)ccc32)c1 ZINC000223083214 568536925 /nfs/dbraw/zinc/53/69/25/568536925.db2.gz MQDVMCICYSTDHX-UHFFFAOYSA-N 0 0 418.924 5.802 40 0 HKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(C)c(Cl)c4)ccc32)c1 ZINC000223083294 568536942 /nfs/dbraw/zinc/53/69/42/568536942.db2.gz RTYZVYOWELXPSR-UHFFFAOYSA-N 0 0 418.924 5.802 40 0 HKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(F)c(Cl)c4)ccc32)c1 ZINC000223083857 568536948 /nfs/dbraw/zinc/53/69/48/568536948.db2.gz LGFCVMBGGPSHMB-UHFFFAOYSA-N 0 0 422.887 5.633 40 0 HKABRN COc1ccc(C)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 ZINC000223084377 568536959 /nfs/dbraw/zinc/53/69/59/568536959.db2.gz VBFHUSHKNPHMEI-UHFFFAOYSA-N 0 0 414.505 5.157 40 0 HKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4c(C)cc(C)cc4C)ccc32)c1 ZINC000223085361 568537013 /nfs/dbraw/zinc/53/70/13/568537013.db2.gz MOMJSHFFVVPROM-UHFFFAOYSA-N 0 0 412.533 5.766 40 0 HKABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223085411 568537009 /nfs/dbraw/zinc/53/70/09/568537009.db2.gz HKJWWSQOQOWLKA-JOCHJYFZSA-N 0 0 422.613 5.385 40 0 HKABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223085477 568537026 /nfs/dbraw/zinc/53/70/26/568537026.db2.gz HKJWWSQOQOWLKA-QFIPXVFZSA-N 0 0 422.613 5.385 40 0 HKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)NC4CCCCCCC4)ccc32)c1 ZINC000223085583 568537029 /nfs/dbraw/zinc/53/70/29/568537029.db2.gz LLEHKODCFMYWRA-UHFFFAOYSA-N 0 0 404.554 5.431 40 0 HKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)N[C@@H](C)c4ccc(F)cc4)ccc32)c1 ZINC000223086128 568537010 /nfs/dbraw/zinc/53/70/10/568537010.db2.gz YOJFGCJUWMMKIZ-SFHVURJKSA-N 0 0 416.496 5.218 40 0 HKABRN Cc1cccc(C(=O)N2CCCc3cc(C(=O)N[C@H](C)c4ccc(F)cc4)ccc32)c1 ZINC000223086191 568537045 /nfs/dbraw/zinc/53/70/45/568537045.db2.gz YOJFGCJUWMMKIZ-GOSISDBHSA-N 0 0 416.496 5.218 40 0 HKABRN Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 ZINC000223089126 568537158 /nfs/dbraw/zinc/53/71/58/568537158.db2.gz BOGOPVSGHBAVES-DNQXCXABSA-N 0 0 416.594 5.486 40 0 HKABRN Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 ZINC000223089184 568537123 /nfs/dbraw/zinc/53/71/23/568537123.db2.gz BOGOPVSGHBAVES-RPWUZVMVSA-N 0 0 416.594 5.486 40 0 HKABRN Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 ZINC000223089245 568537149 /nfs/dbraw/zinc/53/71/49/568537149.db2.gz BOGOPVSGHBAVES-BJKOFHAPSA-N 0 0 416.594 5.486 40 0 HKABRN Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 ZINC000223089301 568537137 /nfs/dbraw/zinc/53/71/37/568537137.db2.gz BOGOPVSGHBAVES-ZEQRLZLVSA-N 0 0 416.594 5.486 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1cccc(Cl)c1 ZINC000223092218 568537313 /nfs/dbraw/zinc/53/73/13/568537313.db2.gz KCFDGUGLNGDQDE-JOCHJYFZSA-N 0 0 418.002 5.426 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1cccc(Cl)c1 ZINC000223092273 568537285 /nfs/dbraw/zinc/53/72/85/568537285.db2.gz KCFDGUGLNGDQDE-QFIPXVFZSA-N 0 0 418.002 5.426 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1C1CCCC1 ZINC000223092966 568537308 /nfs/dbraw/zinc/53/73/08/568537308.db2.gz NQYKJPQLVNJPSZ-DNQXCXABSA-N 0 0 422.642 5.920 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1C1CCCC1 ZINC000223093037 568537312 /nfs/dbraw/zinc/53/73/12/568537312.db2.gz NQYKJPQLVNJPSZ-RPWUZVMVSA-N 0 0 422.642 5.920 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1C1CCCC1 ZINC000223093102 568537317 /nfs/dbraw/zinc/53/73/17/568537317.db2.gz NQYKJPQLVNJPSZ-BJKOFHAPSA-N 0 0 422.642 5.920 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1C1CCCC1 ZINC000223093169 568537325 /nfs/dbraw/zinc/53/73/25/568537325.db2.gz NQYKJPQLVNJPSZ-ZEQRLZLVSA-N 0 0 422.642 5.920 40 0 HKABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000223095334 568537443 /nfs/dbraw/zinc/53/74/43/568537443.db2.gz YGRJUSSXVRYQEJ-QGZVFWFLSA-N 0 0 401.919 5.271 40 0 HKABRN C[C@@H]1Cc2cccc3c2n1cc(C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c3=O ZINC000223095335 568537407 /nfs/dbraw/zinc/53/74/07/568537407.db2.gz LTIZZWCMAWNBNQ-SECBINFHSA-N 0 0 407.684 5.331 40 0 HKABRN C[C@H]1Cc2cccc3c2n1cc(C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c3=O ZINC000223095394 568537423 /nfs/dbraw/zinc/53/74/23/568537423.db2.gz LTIZZWCMAWNBNQ-VIFPVBQESA-N 0 0 407.684 5.331 40 0 HKABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000223095398 568537427 /nfs/dbraw/zinc/53/74/27/568537427.db2.gz YGRJUSSXVRYQEJ-KRWDZBQOSA-N 0 0 401.919 5.271 40 0 HKABRN C[C@@H]1Cc2cccc3c2n1cc(C(=O)Nc1ccccc1Sc1ccccc1)c3=O ZINC000223096719 568537420 /nfs/dbraw/zinc/53/74/20/568537420.db2.gz YWOHSMMKIBSCED-MRXNPFEDSA-N 0 0 412.514 5.522 40 0 HKABRN C[C@H]1Cc2cccc3c2n1cc(C(=O)Nc1ccccc1Sc1ccccc1)c3=O ZINC000223096779 568537544 /nfs/dbraw/zinc/53/75/44/568537544.db2.gz YWOHSMMKIBSCED-INIZCTEOSA-N 0 0 412.514 5.522 40 0 HKABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1cccc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000223098685 568537562 /nfs/dbraw/zinc/53/75/62/568537562.db2.gz SMNFHNPWSCYOJF-JWQCQUIFSA-N 0 0 401.550 6.144 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 ZINC000223098739 568537549 /nfs/dbraw/zinc/53/75/49/568537549.db2.gz SMNFHNPWSCYOJF-LOSJGSFVSA-N 0 0 401.550 6.144 40 0 HKABRN CC[C@@H](NC(=O)[C@H](CC)Oc1cccc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000223098804 568537541 /nfs/dbraw/zinc/53/75/41/568537541.db2.gz SMNFHNPWSCYOJF-RPBOFIJWSA-N 0 0 401.550 6.144 40 0 HKABRN CC[C@H](NC(=O)[C@H](CC)Oc1cccc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000223098872 568537564 /nfs/dbraw/zinc/53/75/64/568537564.db2.gz SMNFHNPWSCYOJF-DQEYMECFSA-N 0 0 401.550 6.144 40 0 HKABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1)c1ccc2c(c1)CCCC2 ZINC000223098959 568537557 /nfs/dbraw/zinc/53/75/57/568537557.db2.gz QOOURNVSAVOWPD-CLJLJLNGSA-N 0 0 401.550 6.144 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 ZINC000223099018 568537531 /nfs/dbraw/zinc/53/75/31/568537531.db2.gz QOOURNVSAVOWPD-IZZNHLLZSA-N 0 0 401.550 6.144 40 0 HKABRN CC[C@@H](NC(=O)[C@H](CC)Oc1ccc2ccccc2c1)c1ccc2c(c1)CCCC2 ZINC000223099083 568537560 /nfs/dbraw/zinc/53/75/60/568537560.db2.gz QOOURNVSAVOWPD-FTJBHMTQSA-N 0 0 401.550 6.144 40 0 HKABRN CC[C@H](NC(=O)[C@H](CC)Oc1ccc2ccccc2c1)c1ccc2c(c1)CCCC2 ZINC000223099139 568537581 /nfs/dbraw/zinc/53/75/81/568537581.db2.gz QOOURNVSAVOWPD-UIOOFZCWSA-N 0 0 401.550 6.144 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 ZINC000223100016 568537547 /nfs/dbraw/zinc/53/75/47/568537547.db2.gz VQVJCBUATYWDOE-FCHUYYIVSA-N 0 0 402.003 6.357 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 ZINC000223100077 568537538 /nfs/dbraw/zinc/53/75/38/568537538.db2.gz VQVJCBUATYWDOE-VXKWHMMOSA-N 0 0 402.003 6.357 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 ZINC000223100135 568537580 /nfs/dbraw/zinc/53/75/80/568537580.db2.gz VQVJCBUATYWDOE-FGZHOGPDSA-N 0 0 402.003 6.357 40 0 HKABRN CC[C@@H](NC(=O)[C@H](CC)Sc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000223100206 568537552 /nfs/dbraw/zinc/53/75/52/568537552.db2.gz VQVJCBUATYWDOE-YADHBBJMSA-N 0 0 402.003 6.357 40 0 HKABRN COc1ccc(OC)c([C@@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)c1 ZINC000223100966 568537569 /nfs/dbraw/zinc/53/75/69/568537569.db2.gz SUBOHCLYOUHANN-GFCCVEGCSA-N 0 0 414.354 5.121 40 0 HKABRN COc1ccc(OC)c([C@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)c1 ZINC000223101025 568537527 /nfs/dbraw/zinc/53/75/27/568537527.db2.gz SUBOHCLYOUHANN-LBPRGKRZSA-N 0 0 414.354 5.121 40 0 HKABRN O=C(CCCOc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000223103654 568537691 /nfs/dbraw/zinc/53/76/91/568537691.db2.gz SMTXFQFBWWSCFP-UHFFFAOYSA-N 0 0 408.310 5.310 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1C1CCCCC1 ZINC000223106035 568537670 /nfs/dbraw/zinc/53/76/70/568537670.db2.gz ZFRKWSCUESFGOK-XZOQPEGZSA-N 0 0 408.615 5.694 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1C1CCCCC1 ZINC000223106099 568537811 /nfs/dbraw/zinc/53/78/11/568537811.db2.gz ZFRKWSCUESFGOK-DHIUTWEWSA-N 0 0 408.615 5.694 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1C1CCCCC1 ZINC000223106154 568537794 /nfs/dbraw/zinc/53/77/94/568537794.db2.gz ZFRKWSCUESFGOK-GOTSBHOMSA-N 0 0 408.615 5.694 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1C1CCCCC1 ZINC000223106213 568537797 /nfs/dbraw/zinc/53/77/97/568537797.db2.gz ZFRKWSCUESFGOK-PKTZIBPZSA-N 0 0 408.615 5.694 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1C1CCCCC1 ZINC000223106281 568537780 /nfs/dbraw/zinc/53/77/80/568537780.db2.gz DYFHKGPZHBQMHA-XZOQPEGZSA-N 0 0 402.567 5.178 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1C1CCCCC1 ZINC000223106341 568537761 /nfs/dbraw/zinc/53/77/61/568537761.db2.gz DYFHKGPZHBQMHA-DHIUTWEWSA-N 0 0 402.567 5.178 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1C1CCCCC1 ZINC000223106400 568537763 /nfs/dbraw/zinc/53/77/63/568537763.db2.gz DYFHKGPZHBQMHA-GOTSBHOMSA-N 0 0 402.567 5.178 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1C1CCCCC1 ZINC000223106460 568537726 /nfs/dbraw/zinc/53/77/26/568537726.db2.gz DYFHKGPZHBQMHA-PKTZIBPZSA-N 0 0 402.567 5.178 40 0 HKABRN Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 ZINC000223106549 568537824 /nfs/dbraw/zinc/53/78/24/568537824.db2.gz NCGLIUOXJDVBSD-DNQXCXABSA-N 0 0 416.594 5.486 40 0 HKABRN Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 ZINC000223106606 568537765 /nfs/dbraw/zinc/53/77/65/568537765.db2.gz NCGLIUOXJDVBSD-RPWUZVMVSA-N 0 0 416.594 5.486 40 0 HKABRN Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 ZINC000223106662 568537790 /nfs/dbraw/zinc/53/77/90/568537790.db2.gz NCGLIUOXJDVBSD-BJKOFHAPSA-N 0 0 416.594 5.486 40 0 HKABRN Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 ZINC000223106722 568537749 /nfs/dbraw/zinc/53/77/49/568537749.db2.gz NCGLIUOXJDVBSD-ZEQRLZLVSA-N 0 0 416.594 5.486 40 0 HKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223106796 568537755 /nfs/dbraw/zinc/53/77/55/568537755.db2.gz RJCCLYCDGAGBDI-DNQXCXABSA-N 0 0 416.594 5.486 40 0 HKABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223106847 568537809 /nfs/dbraw/zinc/53/78/09/568537809.db2.gz RJCCLYCDGAGBDI-RPWUZVMVSA-N 0 0 416.594 5.486 40 0 HKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223106905 568537771 /nfs/dbraw/zinc/53/77/71/568537771.db2.gz RJCCLYCDGAGBDI-BJKOFHAPSA-N 0 0 416.594 5.486 40 0 HKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223106960 568537775 /nfs/dbraw/zinc/53/77/75/568537775.db2.gz RJCCLYCDGAGBDI-ZEQRLZLVSA-N 0 0 416.594 5.486 40 0 HKABRN Fc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 ZINC000223107512 568537816 /nfs/dbraw/zinc/53/78/16/568537816.db2.gz VRYAUFKJTOFCNV-DHIUTWEWSA-N 0 0 420.557 5.317 40 0 HKABRN Fc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 ZINC000223107581 568537728 /nfs/dbraw/zinc/53/77/28/568537728.db2.gz VRYAUFKJTOFCNV-PKTZIBPZSA-N 0 0 420.557 5.317 40 0 HKABRN Fc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 ZINC000223107643 568537757 /nfs/dbraw/zinc/53/77/57/568537757.db2.gz VRYAUFKJTOFCNV-XZOQPEGZSA-N 0 0 420.557 5.317 40 0 HKABRN Fc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 ZINC000223107703 568537820 /nfs/dbraw/zinc/53/78/20/568537820.db2.gz VRYAUFKJTOFCNV-GOTSBHOMSA-N 0 0 420.557 5.317 40 0 HKABRN Fc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 ZINC000223107794 568537741 /nfs/dbraw/zinc/53/77/41/568537741.db2.gz PVAKJDFGSSPBFD-DHIUTWEWSA-N 0 0 420.557 5.317 40 0 HKABRN Fc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 ZINC000223107865 568537779 /nfs/dbraw/zinc/53/77/79/568537779.db2.gz PVAKJDFGSSPBFD-PKTZIBPZSA-N 0 0 420.557 5.317 40 0 HKABRN Fc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 ZINC000223107932 568537807 /nfs/dbraw/zinc/53/78/07/568537807.db2.gz PVAKJDFGSSPBFD-XZOQPEGZSA-N 0 0 420.557 5.317 40 0 HKABRN Fc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 ZINC000223107984 568537802 /nfs/dbraw/zinc/53/78/02/568537802.db2.gz PVAKJDFGSSPBFD-GOTSBHOMSA-N 0 0 420.557 5.317 40 0 HKABRN Fc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223108071 568537743 /nfs/dbraw/zinc/53/77/43/568537743.db2.gz PVINMNAGFZMGNV-DHIUTWEWSA-N 0 0 420.557 5.317 40 0 HKABRN Fc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223108144 568537739 /nfs/dbraw/zinc/53/77/39/568537739.db2.gz PVINMNAGFZMGNV-PKTZIBPZSA-N 0 0 420.557 5.317 40 0 HKABRN CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(C)C)c1)c1ccc2c(c1)CCCC2 ZINC000223108158 568537748 /nfs/dbraw/zinc/53/77/48/568537748.db2.gz ZNXGDHDGERXNOZ-JOCHJYFZSA-N 0 0 401.572 5.127 40 0 HKABRN Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223108199 568537856 /nfs/dbraw/zinc/53/78/56/568537856.db2.gz PVINMNAGFZMGNV-XZOQPEGZSA-N 0 0 420.557 5.317 40 0 HKABRN CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(C)C)c1)c1ccc2c(c1)CCCC2 ZINC000223108215 568537854 /nfs/dbraw/zinc/53/78/54/568537854.db2.gz ZNXGDHDGERXNOZ-QFIPXVFZSA-N 0 0 401.572 5.127 40 0 HKABRN Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223108255 568537840 /nfs/dbraw/zinc/53/78/40/568537840.db2.gz PVINMNAGFZMGNV-GOTSBHOMSA-N 0 0 420.557 5.317 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC000223108375 568537858 /nfs/dbraw/zinc/53/78/58/568537858.db2.gz IFWZHRBISSBGNV-UHFFFAOYSA-N 0 0 421.541 5.161 40 0 HKABRN CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 ZINC000223108872 568537901 /nfs/dbraw/zinc/53/79/01/568537901.db2.gz PAYIMTGQFNTHCP-QVKFZJNVSA-N 0 0 416.359 5.363 40 0 HKABRN CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 ZINC000223108940 568537879 /nfs/dbraw/zinc/53/78/79/568537879.db2.gz PAYIMTGQFNTHCP-VFNWGFHPSA-N 0 0 416.359 5.363 40 0 HKABRN CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 ZINC000223108989 568537886 /nfs/dbraw/zinc/53/78/86/568537886.db2.gz PAYIMTGQFNTHCP-YCRPNKLZSA-N 0 0 416.359 5.363 40 0 HKABRN CC[C@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 ZINC000223109046 568537838 /nfs/dbraw/zinc/53/78/38/568537838.db2.gz PAYIMTGQFNTHCP-BTYIYWSLSA-N 0 0 416.359 5.363 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1C1CCCCC1 ZINC000223112790 568538021 /nfs/dbraw/zinc/53/80/21/568538021.db2.gz JOOMICRYLPGZKF-XZOQPEGZSA-N 0 0 403.551 5.647 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1C1CCCCC1 ZINC000223113629 568537977 /nfs/dbraw/zinc/53/79/77/568537977.db2.gz JOOMICRYLPGZKF-DHIUTWEWSA-N 0 0 403.551 5.647 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1C1CCCCC1 ZINC000223113701 568538004 /nfs/dbraw/zinc/53/80/04/568538004.db2.gz JOOMICRYLPGZKF-GOTSBHOMSA-N 0 0 403.551 5.647 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1C1CCCCC1 ZINC000223113758 568538013 /nfs/dbraw/zinc/53/80/13/568538013.db2.gz JOOMICRYLPGZKF-PKTZIBPZSA-N 0 0 403.551 5.647 40 0 HKABRN Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 ZINC000223113845 568538018 /nfs/dbraw/zinc/53/80/18/568538018.db2.gz FWVPCIHKSWQEJF-DHIUTWEWSA-N 0 0 421.541 5.786 40 0 HKABRN Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 ZINC000223113900 568538005 /nfs/dbraw/zinc/53/80/05/568538005.db2.gz FWVPCIHKSWQEJF-PKTZIBPZSA-N 0 0 421.541 5.786 40 0 HKABRN Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 ZINC000223113968 568538000 /nfs/dbraw/zinc/53/80/00/568538000.db2.gz FWVPCIHKSWQEJF-XZOQPEGZSA-N 0 0 421.541 5.786 40 0 HKABRN Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 ZINC000223114033 568537981 /nfs/dbraw/zinc/53/79/81/568537981.db2.gz FWVPCIHKSWQEJF-GOTSBHOMSA-N 0 0 421.541 5.786 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc(Cl)cc1F ZINC000223116023 568538132 /nfs/dbraw/zinc/53/81/32/568538132.db2.gz MTSQYTDKLUCKDF-SFHVURJKSA-N 0 0 407.938 5.439 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc(Cl)cc1F ZINC000223116080 568538111 /nfs/dbraw/zinc/53/81/11/568538111.db2.gz MTSQYTDKLUCKDF-GOSISDBHSA-N 0 0 407.938 5.439 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000223116582 568538162 /nfs/dbraw/zinc/53/81/62/568538162.db2.gz BOJLQLLCKAQVDH-STZFKDTASA-N 0 0 404.535 5.391 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1C1CCCCC1 ZINC000223119918 568538297 /nfs/dbraw/zinc/53/82/97/568538297.db2.gz LHIQZKVYHUVGAX-XZOQPEGZSA-N 0 0 408.615 5.694 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1C1CCCCC1 ZINC000223119982 568538226 /nfs/dbraw/zinc/53/82/26/568538226.db2.gz LHIQZKVYHUVGAX-DHIUTWEWSA-N 0 0 408.615 5.694 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1C1CCCCC1 ZINC000223120043 568538292 /nfs/dbraw/zinc/53/82/92/568538292.db2.gz LHIQZKVYHUVGAX-GOTSBHOMSA-N 0 0 408.615 5.694 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1C1CCCCC1 ZINC000223120106 568538288 /nfs/dbraw/zinc/53/82/88/568538288.db2.gz LHIQZKVYHUVGAX-PKTZIBPZSA-N 0 0 408.615 5.694 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1C1CCCCC1 ZINC000223120189 568538269 /nfs/dbraw/zinc/53/82/69/568538269.db2.gz IRKSUCPJBUJCMD-XZOQPEGZSA-N 0 0 402.567 5.178 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1C1CCCCC1 ZINC000223120243 568538244 /nfs/dbraw/zinc/53/82/44/568538244.db2.gz IRKSUCPJBUJCMD-DHIUTWEWSA-N 0 0 402.567 5.178 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1C1CCCCC1 ZINC000223120307 568538281 /nfs/dbraw/zinc/53/82/81/568538281.db2.gz IRKSUCPJBUJCMD-GOTSBHOMSA-N 0 0 402.567 5.178 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1C1CCCCC1 ZINC000223120368 568538294 /nfs/dbraw/zinc/53/82/94/568538294.db2.gz IRKSUCPJBUJCMD-PKTZIBPZSA-N 0 0 402.567 5.178 40 0 HKABRN CC[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000223125010 568538472 /nfs/dbraw/zinc/53/84/72/568538472.db2.gz GBMVMMUETSWJEA-JOCHJYFZSA-N 0 0 402.003 6.359 40 0 HKABRN CC[C@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000223125071 568538435 /nfs/dbraw/zinc/53/84/35/568538435.db2.gz GBMVMMUETSWJEA-QFIPXVFZSA-N 0 0 402.003 6.359 40 0 HKABRN CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000223125291 568538519 /nfs/dbraw/zinc/53/85/19/568538519.db2.gz JJMUXJIOWDGCDY-OAQYLSRUSA-N 0 0 422.421 6.373 40 0 HKABRN CC[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000223125351 568538537 /nfs/dbraw/zinc/53/85/37/568538537.db2.gz JJMUXJIOWDGCDY-NRFANRHFSA-N 0 0 422.421 6.373 40 0 HKABRN CC[C@@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCCC2 ZINC000223125436 568538447 /nfs/dbraw/zinc/53/84/47/568538447.db2.gz VEIPOGGYXIQBNB-OAQYLSRUSA-N 0 0 422.421 6.373 40 0 HKABRN CC[C@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCCC2 ZINC000223125492 568538489 /nfs/dbraw/zinc/53/84/89/568538489.db2.gz VEIPOGGYXIQBNB-NRFANRHFSA-N 0 0 422.421 6.373 40 0 HKABRN CC(C)c1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223125737 568538545 /nfs/dbraw/zinc/53/85/45/568538545.db2.gz GGXJGDDKMBVRTG-NRFANRHFSA-N 0 0 422.613 5.117 40 0 HKABRN CC(C)c1ccc(CCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223125800 568538612 /nfs/dbraw/zinc/53/86/12/568538612.db2.gz GGXJGDDKMBVRTG-OAQYLSRUSA-N 0 0 422.613 5.117 40 0 HKABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 ZINC000223128093 568538625 /nfs/dbraw/zinc/53/86/25/568538625.db2.gz NLYFBLPENSSEDI-JWQCQUIFSA-N 0 0 407.598 6.288 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 ZINC000223128144 568538563 /nfs/dbraw/zinc/53/85/63/568538563.db2.gz NLYFBLPENSSEDI-LOSJGSFVSA-N 0 0 407.598 6.288 40 0 HKABRN CC[C@@H](NC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 ZINC000223128206 568538546 /nfs/dbraw/zinc/53/85/46/568538546.db2.gz NLYFBLPENSSEDI-RPBOFIJWSA-N 0 0 407.598 6.288 40 0 HKABRN CC[C@H](NC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 ZINC000223128271 568538576 /nfs/dbraw/zinc/53/85/76/568538576.db2.gz NLYFBLPENSSEDI-DQEYMECFSA-N 0 0 407.598 6.288 40 0 HKABRN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000223128703 568538739 /nfs/dbraw/zinc/53/87/39/568538739.db2.gz KLFCUJFSEQQYCX-CYBMUJFWSA-N 0 0 409.898 5.418 40 0 HKABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000223128769 568538686 /nfs/dbraw/zinc/53/86/86/568538686.db2.gz KLFCUJFSEQQYCX-ZDUSSCGKSA-N 0 0 409.898 5.418 40 0 HKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc2cc3ccccc3nc2s1 ZINC000223129914 568538734 /nfs/dbraw/zinc/53/87/34/568538734.db2.gz TUDMPFXCYLCFBD-UHFFFAOYSA-N 0 0 407.709 6.662 40 0 HKABRN O=C(Nc1ccc(Br)cc1F)c1cc2cc3ccccc3nc2s1 ZINC000223130173 568538676 /nfs/dbraw/zinc/53/86/76/568538676.db2.gz DYKDDGKOHKHQEN-UHFFFAOYSA-N 0 0 401.260 5.603 40 0 HKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc2cc3ccccc3nc2s1 ZINC000223130412 568538783 /nfs/dbraw/zinc/53/87/83/568538783.db2.gz WTFHWUCMTPWGFF-UHFFFAOYSA-N 0 0 406.816 6.374 40 0 HKABRN CCc1ccc(CC)c(CNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1 ZINC000223130413 568538798 /nfs/dbraw/zinc/53/87/98/568538798.db2.gz UMOQVKSVUQCROF-UHFFFAOYSA-N 0 0 403.591 6.342 40 0 HKABRN O=C(c1cc2cc3ccccc3nc2s1)N(Cc1ccccc1)Cc1ccccc1 ZINC000223132130 568538825 /nfs/dbraw/zinc/53/88/25/568538825.db2.gz LVNJVPKBUSLNMU-UHFFFAOYSA-N 0 0 408.526 6.292 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1Cl ZINC000223132625 568538949 /nfs/dbraw/zinc/53/89/49/568538949.db2.gz JOXYAYCWCMIGCO-INIZCTEOSA-N 0 0 422.912 5.482 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1Cl ZINC000223132689 568538932 /nfs/dbraw/zinc/53/89/32/568538932.db2.gz JOXYAYCWCMIGCO-MRXNPFEDSA-N 0 0 422.912 5.482 40 0 HKABRN O=C(c1cc2cc3ccccc3nc2s1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000223132704 568538934 /nfs/dbraw/zinc/53/89/34/568538934.db2.gz MMFXMRHEWUQDLM-UHFFFAOYSA-N 0 0 407.926 5.065 40 0 HKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3cc4ccccc4nc3s2)CC1 ZINC000223132789 568538911 /nfs/dbraw/zinc/53/89/11/568538911.db2.gz GKCMFLCLIZRHPA-UHFFFAOYSA-N 0 0 421.953 5.374 40 0 HKABRN O=C(Nc1ccccc1Sc1ccccc1)c1cc2cc3ccccc3nc2s1 ZINC000223133614 568538959 /nfs/dbraw/zinc/53/89/59/568538959.db2.gz DQCVAOWQKQGRHP-UHFFFAOYSA-N 0 0 412.539 6.853 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)cc1 ZINC000223134020 568538965 /nfs/dbraw/zinc/53/89/65/568538965.db2.gz WCILTQJOFAXWOS-UHFFFAOYSA-N 0 0 404.491 5.659 40 0 HKABRN Cc1cccc(N2CCN(C(=O)c3cc4cc5ccccc5nc4s3)CC2)c1C ZINC000223134452 568538937 /nfs/dbraw/zinc/53/89/37/568538937.db2.gz ZAFVGZQRFUEMEK-UHFFFAOYSA-N 0 0 401.535 5.029 40 0 HKABRN CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc2c(c1)CCCC2 ZINC000223135019 568538939 /nfs/dbraw/zinc/53/89/39/568538939.db2.gz XQDSLVIFFBBFJR-OAQYLSRUSA-N 0 0 405.966 5.859 40 0 HKABRN CC[C@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc2c(c1)CCCC2 ZINC000223135088 568538912 /nfs/dbraw/zinc/53/89/12/568538912.db2.gz XQDSLVIFFBBFJR-NRFANRHFSA-N 0 0 405.966 5.859 40 0 HKABRN COC(=O)c1cc2cc(NC(=O)c3cc4cc5ccccc5nc4s3)ccc2s1 ZINC000223135131 568538984 /nfs/dbraw/zinc/53/89/84/568538984.db2.gz NMTCUTCOTPYVPU-UHFFFAOYSA-N 0 0 418.499 5.703 40 0 HKABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223135255 568539013 /nfs/dbraw/zinc/53/90/13/568539013.db2.gz XKCFMZMPYQYKND-JOCHJYFZSA-N 0 0 422.613 5.385 40 0 HKABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223135316 568539073 /nfs/dbraw/zinc/53/90/73/568539073.db2.gz XKCFMZMPYQYKND-QFIPXVFZSA-N 0 0 422.613 5.385 40 0 HKABRN CC[C@@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc2c(c1)CCCC2 ZINC000223137696 568539146 /nfs/dbraw/zinc/53/91/46/568539146.db2.gz YJIJCGIAVXQSGI-JOCHJYFZSA-N 0 0 415.599 5.435 40 0 HKABRN CC[C@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc2c(c1)CCCC2 ZINC000223137756 568539113 /nfs/dbraw/zinc/53/91/13/568539113.db2.gz YJIJCGIAVXQSGI-QFIPXVFZSA-N 0 0 415.599 5.435 40 0 HKABRN CC[C@@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccc2c(c1)CCCC2 ZINC000223137993 568539193 /nfs/dbraw/zinc/53/91/93/568539193.db2.gz IOUZNVBVSGQRRF-XMMPIXPASA-N 0 0 409.551 5.157 40 0 HKABRN CC[C@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccc2c(c1)CCCC2 ZINC000223138050 568539125 /nfs/dbraw/zinc/53/91/25/568539125.db2.gz IOUZNVBVSGQRRF-DEOSSOPVSA-N 0 0 409.551 5.157 40 0 HKABRN CC[C@@H](NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccc2c(c1)CCCC2 ZINC000223140479 568539241 /nfs/dbraw/zinc/53/92/41/568539241.db2.gz SUVYSZLJEZWTAX-RUZDIDTESA-N 0 0 401.554 5.308 40 0 HKABRN CC[C@H](NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccc2c(c1)CCCC2 ZINC000223140540 568539279 /nfs/dbraw/zinc/53/92/79/568539279.db2.gz SUVYSZLJEZWTAX-VWLOTQADSA-N 0 0 401.554 5.308 40 0 HKABRN COc1ccc(-c2ncc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)c(C)n2)cc1 ZINC000223141865 568539255 /nfs/dbraw/zinc/53/92/55/568539255.db2.gz YUANYUVDUOIKLR-UHFFFAOYSA-N 0 0 422.699 5.673 40 0 HKABRN COc1ccc(-c2ncc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(C)n2)cc1 ZINC000223142446 568539346 /nfs/dbraw/zinc/53/93/46/568539346.db2.gz YYLDGVKOUWTIEJ-UHFFFAOYSA-N 0 0 421.806 5.385 40 0 HKABRN COc1ccc(-c2ncc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(C)n2)cc1 ZINC000223142957 568539371 /nfs/dbraw/zinc/53/93/71/568539371.db2.gz FHMDAHXUFPAXDL-UHFFFAOYSA-N 0 0 411.461 5.505 40 0 HKABRN COc1ccc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2c1 ZINC000223143441 568539380 /nfs/dbraw/zinc/53/93/80/568539380.db2.gz XZHKMXOWRCDMJB-UHFFFAOYSA-N 0 0 415.820 5.321 40 0 HKABRN COc1ccc(-c2ncc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(C)n2)cc1 ZINC000223144240 568539355 /nfs/dbraw/zinc/53/93/55/568539355.db2.gz ZUXIMQJYHGLSPZ-UHFFFAOYSA-N 0 0 423.516 5.303 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1nnc(SCC(C)C)s1 ZINC000223144500 568539379 /nfs/dbraw/zinc/53/93/79/568539379.db2.gz AMKBRDOULDVTRE-MRXNPFEDSA-N 0 0 401.557 5.236 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1nnc(SCC(C)C)s1 ZINC000223144568 568539373 /nfs/dbraw/zinc/53/93/73/568539373.db2.gz AMKBRDOULDVTRE-INIZCTEOSA-N 0 0 401.557 5.236 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)c1 ZINC000223144684 568539377 /nfs/dbraw/zinc/53/93/77/568539377.db2.gz QBHBFJPYHVKRBW-NZQKXSOJSA-N 0 0 421.581 6.229 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)c1 ZINC000223144738 568539367 /nfs/dbraw/zinc/53/93/67/568539367.db2.gz QBHBFJPYHVKRBW-NFBKMPQASA-N 0 0 421.581 6.229 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)c1 ZINC000223144817 568539358 /nfs/dbraw/zinc/53/93/58/568539358.db2.gz QBHBFJPYHVKRBW-REWPJTCUSA-N 0 0 421.581 6.229 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)c1 ZINC000223144873 568539376 /nfs/dbraw/zinc/53/93/76/568539376.db2.gz QBHBFJPYHVKRBW-OFNKIYASSA-N 0 0 421.581 6.229 40 0 HKABRN COc1ccc(-c2ncc(C(=O)Nc3ccccc3Oc3ccccc3)c(C)n2)cc1 ZINC000223146125 568539482 /nfs/dbraw/zinc/53/94/82/568539482.db2.gz YDBAPDIJIHQFDK-UHFFFAOYSA-N 0 0 411.461 5.505 40 0 HKABRN O=C(Cc1ccc(Cl)cc1F)Nc1ccccc1SCc1ccc(Cl)cc1 ZINC000223149844 568539497 /nfs/dbraw/zinc/53/94/97/568539497.db2.gz HVTXHCCDZUROMM-UHFFFAOYSA-N 0 0 420.336 6.606 40 0 HKABRN Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2)c(C)c1 ZINC000223150229 568539541 /nfs/dbraw/zinc/53/95/41/568539541.db2.gz PFFWTGCIWRBLNG-ZBLYBZFDSA-N 0 0 413.561 5.855 40 0 HKABRN Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2)c(C)c1 ZINC000223150282 568539566 /nfs/dbraw/zinc/53/95/66/568539566.db2.gz PFFWTGCIWRBLNG-JIPXPUAJSA-N 0 0 413.561 5.855 40 0 HKABRN Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2)c(C)c1 ZINC000223150344 568539621 /nfs/dbraw/zinc/53/96/21/568539621.db2.gz PFFWTGCIWRBLNG-IDISGSTGSA-N 0 0 413.561 5.855 40 0 HKABRN Cc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2)c(C)c1 ZINC000223150397 568539544 /nfs/dbraw/zinc/53/95/44/568539544.db2.gz PFFWTGCIWRBLNG-KDYSTLNUSA-N 0 0 413.561 5.855 40 0 HKABRN C[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)CCC2 ZINC000223152088 568539636 /nfs/dbraw/zinc/53/96/36/568539636.db2.gz LKKLEZPZFIEXPN-QGZVFWFLSA-N 0 0 421.993 6.612 40 0 HKABRN C[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)CCC2 ZINC000223152143 568539631 /nfs/dbraw/zinc/53/96/31/568539631.db2.gz LKKLEZPZFIEXPN-KRWDZBQOSA-N 0 0 421.993 6.612 40 0 HKABRN O=C(COc1cccc2c1CCCC2)NCCSCc1ccc(Cl)cc1Cl ZINC000223153457 568539635 /nfs/dbraw/zinc/53/96/35/568539635.db2.gz QHGMMEGDZRSHPL-UHFFFAOYSA-N 0 0 424.393 5.301 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C)c1ccc(C)cc1C ZINC000223153672 568539573 /nfs/dbraw/zinc/53/95/73/568539573.db2.gz AJAXKYAFEGHGEW-KDYMBEQYSA-N 0 0 416.521 5.243 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C)c1ccc(C)cc1C ZINC000223153738 568539719 /nfs/dbraw/zinc/53/97/19/568539719.db2.gz AJAXKYAFEGHGEW-VNLJKWRZSA-N 0 0 416.521 5.243 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc2O1 ZINC000223154377 568539737 /nfs/dbraw/zinc/53/97/37/568539737.db2.gz VOQTYRLTGAZKMF-XMSQKQJNSA-N 0 0 409.570 5.950 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc2O1 ZINC000223154436 568539753 /nfs/dbraw/zinc/53/97/53/568539753.db2.gz VOQTYRLTGAZKMF-GCJKJVERSA-N 0 0 409.570 5.950 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc2O1 ZINC000223154496 568539733 /nfs/dbraw/zinc/53/97/33/568539733.db2.gz VOQTYRLTGAZKMF-PGRDOPGGSA-N 0 0 409.570 5.950 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc2O1 ZINC000223154561 568539742 /nfs/dbraw/zinc/53/97/42/568539742.db2.gz VOQTYRLTGAZKMF-AVRDEDQJSA-N 0 0 409.570 5.950 40 0 HKABRN C[C@@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000223154780 568539681 /nfs/dbraw/zinc/53/96/81/568539681.db2.gz GMUAPFIJZVCXNB-ZDSQJECRSA-N 0 0 401.937 6.247 40 0 HKABRN C[C@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000223154835 568539755 /nfs/dbraw/zinc/53/97/55/568539755.db2.gz GMUAPFIJZVCXNB-KHCKMINHSA-N 0 0 401.937 6.247 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)CCSc2ccc(Cl)cc2)c2ccccc2O1 ZINC000223155333 568539678 /nfs/dbraw/zinc/53/96/78/568539678.db2.gz BEEFNLVKZYGTEW-LJQANCHMSA-N 0 0 403.975 6.021 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)CCSc2ccc(Cl)cc2)c2ccccc2O1 ZINC000223155383 568539649 /nfs/dbraw/zinc/53/96/49/568539649.db2.gz BEEFNLVKZYGTEW-IBGZPJMESA-N 0 0 403.975 6.021 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)ccc1Cl ZINC000223155760 568539670 /nfs/dbraw/zinc/53/96/70/568539670.db2.gz BLEOPSNOOYQWEH-ZDUSSCGKSA-N 0 0 419.959 5.198 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)ccc1Cl ZINC000223155831 568539668 /nfs/dbraw/zinc/53/96/68/568539668.db2.gz BLEOPSNOOYQWEH-CYBMUJFWSA-N 0 0 419.959 5.198 40 0 HKABRN C[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc2c(c1)CCC2 ZINC000223157705 568539684 /nfs/dbraw/zinc/53/96/84/568539684.db2.gz AVWLKWUVGMNJED-CQSZACIVSA-N 0 0 404.373 5.048 40 0 HKABRN C[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc2c(c1)CCC2 ZINC000223157773 568539740 /nfs/dbraw/zinc/53/97/40/568539740.db2.gz AVWLKWUVGMNJED-AWEZNQCLSA-N 0 0 404.373 5.048 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)cc2)cc1 ZINC000223157991 568539689 /nfs/dbraw/zinc/53/96/89/568539689.db2.gz JCWWTFQURQDSJM-IBGZPJMESA-N 0 0 401.575 6.267 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)cc2)cc1 ZINC000223158057 568539682 /nfs/dbraw/zinc/53/96/82/568539682.db2.gz JCWWTFQURQDSJM-LJQANCHMSA-N 0 0 401.575 6.267 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1F)NCCSCc1cccc(Cl)c1 ZINC000223158112 568539710 /nfs/dbraw/zinc/53/97/10/568539710.db2.gz WBDHGNQXBVTPHY-UHFFFAOYSA-N 0 0 418.386 5.415 40 0 HKABRN CC[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(OC)c(C)c1 ZINC000223161648 568539726 /nfs/dbraw/zinc/53/97/26/568539726.db2.gz UHMZMWVSDVUZSU-GOSISDBHSA-N 0 0 422.388 5.267 40 0 HKABRN CC[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(OC)c(C)c1 ZINC000223161715 568539717 /nfs/dbraw/zinc/53/97/17/568539717.db2.gz UHMZMWVSDVUZSU-SFHVURJKSA-N 0 0 422.388 5.267 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000223162431 568539749 /nfs/dbraw/zinc/53/97/49/568539749.db2.gz IYIHOTNGMZNBAT-RUZDIDTESA-N 0 0 401.506 6.154 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000223162486 568539857 /nfs/dbraw/zinc/53/98/57/568539857.db2.gz IYIHOTNGMZNBAT-VWLOTQADSA-N 0 0 401.506 6.154 40 0 HKABRN Cc1ccc(C)c([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1 ZINC000223164226 568539837 /nfs/dbraw/zinc/53/98/37/568539837.db2.gz LACIPHYBMFBBQL-OSVNEOKWSA-N 0 0 404.535 5.013 40 0 HKABRN Cc1ccc(C)c([C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1 ZINC000223164282 568539822 /nfs/dbraw/zinc/53/98/22/568539822.db2.gz LACIPHYBMFBBQL-CEZZIEKDSA-N 0 0 404.535 5.013 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000223168162 568539893 /nfs/dbraw/zinc/53/98/93/568539893.db2.gz DDZSZXMHBPLURW-RUZDIDTESA-N 0 0 413.517 5.593 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000223168212 568539959 /nfs/dbraw/zinc/53/99/59/568539959.db2.gz DDZSZXMHBPLURW-VWLOTQADSA-N 0 0 413.517 5.593 40 0 HKABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223171181 568540055 /nfs/dbraw/zinc/54/00/55/568540055.db2.gz NTSLTTJZOJGPDI-DEOSSOPVSA-N 0 0 422.613 5.465 40 0 HKABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223171242 568540053 /nfs/dbraw/zinc/54/00/53/568540053.db2.gz NTSLTTJZOJGPDI-XMMPIXPASA-N 0 0 422.613 5.465 40 0 HKABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000223174232 568540103 /nfs/dbraw/zinc/54/01/03/568540103.db2.gz HAMLCLMTYGRFDB-GOSISDBHSA-N 0 0 403.547 6.123 40 0 HKABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000223174288 568540100 /nfs/dbraw/zinc/54/01/00/568540100.db2.gz HAMLCLMTYGRFDB-SFHVURJKSA-N 0 0 403.547 6.123 40 0 HKABRN CC(C)CSc1nnc(NC(=O)CSCc2c(Cl)cccc2Cl)s1 ZINC000223174797 568540061 /nfs/dbraw/zinc/54/00/61/568540061.db2.gz RSHFQFMZFAWKOQ-UHFFFAOYSA-N 0 0 422.428 5.465 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)cc1Cl ZINC000223187266 568540487 /nfs/dbraw/zinc/54/04/87/568540487.db2.gz MEFGUVZHEQSKGN-UHFFFAOYSA-N 0 0 418.276 6.055 40 0 HKABRN CCc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000223191710 568540661 /nfs/dbraw/zinc/54/06/61/568540661.db2.gz UJLVJWPQAIJMFT-OAHLLOKOSA-N 0 0 418.375 5.565 40 0 HKABRN CCc1ccc([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000223191758 568540621 /nfs/dbraw/zinc/54/06/21/568540621.db2.gz UJLVJWPQAIJMFT-HNNXBMFYSA-N 0 0 418.375 5.565 40 0 HKABRN COc1ccc(-c2nnc(NC(=O)c3ccccc3OCc3ccccc3)s2)cc1 ZINC000223193131 568540724 /nfs/dbraw/zinc/54/07/24/568540724.db2.gz GKAWEAPJUGBUFV-UHFFFAOYSA-N 0 0 417.490 5.045 40 0 HKABRN CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC)c(C)c3C)ccc21 ZINC000223194963 568540824 /nfs/dbraw/zinc/54/08/24/568540824.db2.gz DIGPRHUPVFUBDR-UHFFFAOYSA-N 0 0 408.523 5.241 40 0 HKABRN CCCSc1nnc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)s1 ZINC000223197703 568540802 /nfs/dbraw/zinc/54/08/02/568540802.db2.gz DLXOASYDUZGUQT-NBVRZTHBSA-N 0 0 411.552 5.228 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1Cl ZINC000223199826 568540996 /nfs/dbraw/zinc/54/09/96/568540996.db2.gz UJORYMAEOKYXQV-UHFFFAOYSA-N 0 0 400.906 5.007 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1F)NCCCc1cccc2ccccc21 ZINC000223203024 568540918 /nfs/dbraw/zinc/54/09/18/568540918.db2.gz QBNGDXIXEIGLGE-UHFFFAOYSA-N 0 0 401.934 5.615 40 0 HKABRN CC(C)c1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(Br)c1 ZINC000223205669 568541030 /nfs/dbraw/zinc/54/10/30/568541030.db2.gz PTKUEBLZCSFZRX-HNNXBMFYSA-N 0 0 416.359 5.317 40 0 HKABRN CC(C)c1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c(Br)c1 ZINC000223205731 568541040 /nfs/dbraw/zinc/54/10/40/568541040.db2.gz PTKUEBLZCSFZRX-OAHLLOKOSA-N 0 0 416.359 5.317 40 0 HKABRN C[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc2c(c1)CCC2 ZINC000223205941 568541090 /nfs/dbraw/zinc/54/10/90/568541090.db2.gz FOWGZBKWKBQAMI-OAHLLOKOSA-N 0 0 424.338 5.347 40 0 HKABRN C[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc2c(c1)CCC2 ZINC000223206004 568541092 /nfs/dbraw/zinc/54/10/92/568541092.db2.gz FOWGZBKWKBQAMI-HNNXBMFYSA-N 0 0 424.338 5.347 40 0 HKABRN C[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc2c(c1)CCC2 ZINC000223208112 568541070 /nfs/dbraw/zinc/54/10/70/568541070.db2.gz SSKIUXGNEJEULP-QGZVFWFLSA-N 0 0 405.925 5.899 40 0 HKABRN C[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc2c(c1)CCC2 ZINC000223208164 568541114 /nfs/dbraw/zinc/54/11/14/568541114.db2.gz SSKIUXGNEJEULP-KRWDZBQOSA-N 0 0 405.925 5.899 40 0 HKABRN C[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc2c(c1)CCC2 ZINC000223215499 568541276 /nfs/dbraw/zinc/54/12/76/568541276.db2.gz YIXCOKTUMVWQSN-LJQANCHMSA-N 0 0 417.574 5.837 40 0 HKABRN C[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc2c(c1)CCC2 ZINC000223215562 568541301 /nfs/dbraw/zinc/54/13/01/568541301.db2.gz YIXCOKTUMVWQSN-IBGZPJMESA-N 0 0 417.574 5.837 40 0 HKABRN CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223216253 568541269 /nfs/dbraw/zinc/54/12/69/568541269.db2.gz IWNWTBORSJVIJG-DEOSSOPVSA-N 0 0 422.613 5.212 40 0 HKABRN CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223216324 568541267 /nfs/dbraw/zinc/54/12/67/568541267.db2.gz IWNWTBORSJVIJG-XMMPIXPASA-N 0 0 422.613 5.212 40 0 HKABRN Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c2ccccc2)c(C)c1 ZINC000223222445 568541467 /nfs/dbraw/zinc/54/14/67/568541467.db2.gz PVXURCPUFRNHQC-ZBLYBZFDSA-N 0 0 413.561 5.855 40 0 HKABRN Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c2ccccc2)c(C)c1 ZINC000223222510 568541423 /nfs/dbraw/zinc/54/14/23/568541423.db2.gz PVXURCPUFRNHQC-JIPXPUAJSA-N 0 0 413.561 5.855 40 0 HKABRN Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c2ccccc2)c(C)c1 ZINC000223222568 568541436 /nfs/dbraw/zinc/54/14/36/568541436.db2.gz PVXURCPUFRNHQC-IDISGSTGSA-N 0 0 413.561 5.855 40 0 HKABRN Cc1ccc([C@H](NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c2ccccc2)c(C)c1 ZINC000223222616 568541462 /nfs/dbraw/zinc/54/14/62/568541462.db2.gz PVXURCPUFRNHQC-KDYSTLNUSA-N 0 0 413.561 5.855 40 0 HKABRN C[C@@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc2c(c1)CCC2 ZINC000223225224 568541607 /nfs/dbraw/zinc/54/16/07/568541607.db2.gz KSCWOURZOGRHNC-MRXNPFEDSA-N 0 0 414.952 5.057 40 0 HKABRN C[C@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc2c(c1)CCC2 ZINC000223225289 568541612 /nfs/dbraw/zinc/54/16/12/568541612.db2.gz KSCWOURZOGRHNC-INIZCTEOSA-N 0 0 414.952 5.057 40 0 HKABRN CCOc1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000223227765 568541557 /nfs/dbraw/zinc/54/15/57/568541557.db2.gz KBGKCHOPEWICGO-UHFFFAOYSA-N 0 0 418.773 5.709 40 0 HKABRN C[C@@H](SCc1ccccc1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223228096 568541678 /nfs/dbraw/zinc/54/16/78/568541678.db2.gz YNEMHOAZNPOJPC-CQSZACIVSA-N 0 0 401.582 5.091 40 0 HKABRN C[C@H](SCc1ccccc1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223228151 568541702 /nfs/dbraw/zinc/54/17/02/568541702.db2.gz YNEMHOAZNPOJPC-AWEZNQCLSA-N 0 0 401.582 5.091 40 0 HKABRN C[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc2c(c1)CCC2 ZINC000223230889 568541836 /nfs/dbraw/zinc/54/18/36/568541836.db2.gz OMIYOYUXVOSBHZ-QGZVFWFLSA-N 0 0 405.925 5.899 40 0 HKABRN C[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc2c(c1)CCC2 ZINC000223230942 568541817 /nfs/dbraw/zinc/54/18/17/568541817.db2.gz OMIYOYUXVOSBHZ-KRWDZBQOSA-N 0 0 405.925 5.899 40 0 HKABRN C[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc2c(c1)CCC2 ZINC000223231294 568541862 /nfs/dbraw/zinc/54/18/62/568541862.db2.gz BFKJZWNWHFKYNK-QGZVFWFLSA-N 0 0 405.925 5.899 40 0 HKABRN C[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc2c(c1)CCC2 ZINC000223231348 568541819 /nfs/dbraw/zinc/54/18/19/568541819.db2.gz BFKJZWNWHFKYNK-KRWDZBQOSA-N 0 0 405.925 5.899 40 0 HKABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000223231656 568541841 /nfs/dbraw/zinc/54/18/41/568541841.db2.gz UAOAZOMQOHEXDF-LJQANCHMSA-N 0 0 417.574 6.264 40 0 HKABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000223231713 568541859 /nfs/dbraw/zinc/54/18/59/568541859.db2.gz UAOAZOMQOHEXDF-IBGZPJMESA-N 0 0 417.574 6.264 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1F)NCCSc1ccc(Cl)cc1 ZINC000223233726 568541878 /nfs/dbraw/zinc/54/18/78/568541878.db2.gz PFDLXESOFNQFAA-UHFFFAOYSA-N 0 0 404.359 5.274 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1)c1ccccc1 ZINC000223234915 568541951 /nfs/dbraw/zinc/54/19/51/568541951.db2.gz KSHFYLBKEIPDEY-NCJDQSJGSA-N 0 0 404.535 5.095 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1)c1ccccc1 ZINC000223234973 568541958 /nfs/dbraw/zinc/54/19/58/568541958.db2.gz KSHFYLBKEIPDEY-YVUGPFRESA-N 0 0 404.535 5.095 40 0 HKABRN CSc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)c1 ZINC000223235462 568541927 /nfs/dbraw/zinc/54/19/27/568541927.db2.gz ZVRHSBAQGBXXQK-ZHZULCJRSA-N 0 0 408.548 5.188 40 0 HKABRN CC(C)C[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccccc1 ZINC000223243823 568542494 /nfs/dbraw/zinc/54/24/94/568542494.db2.gz UYLTXEUHSZOSIY-CJSSZYOBSA-N 0 0 418.562 5.423 40 0 HKABRN CC(C)C[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccccc1 ZINC000223243875 568542431 /nfs/dbraw/zinc/54/24/31/568542431.db2.gz UYLTXEUHSZOSIY-IWQUUTMOSA-N 0 0 418.562 5.423 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000223244863 568542462 /nfs/dbraw/zinc/54/24/62/568542462.db2.gz ACCUEEXIJWMTTH-DHIUTWEWSA-N 0 0 423.553 5.150 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000223244919 568542407 /nfs/dbraw/zinc/54/24/07/568542407.db2.gz ACCUEEXIJWMTTH-PKTZIBPZSA-N 0 0 423.553 5.150 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000223244976 568542352 /nfs/dbraw/zinc/54/23/52/568542352.db2.gz ACCUEEXIJWMTTH-XZOQPEGZSA-N 0 0 423.553 5.150 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000223245028 568542464 /nfs/dbraw/zinc/54/24/64/568542464.db2.gz ACCUEEXIJWMTTH-GOTSBHOMSA-N 0 0 423.553 5.150 40 0 HKABRN CCc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1 ZINC000223252105 568542505 /nfs/dbraw/zinc/54/25/05/568542505.db2.gz XXNBDYMYXGTJCU-OAHLLOKOSA-N 0 0 404.348 5.391 40 0 HKABRN CCc1ccc([C@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1 ZINC000223252159 568542512 /nfs/dbraw/zinc/54/25/12/568542512.db2.gz XXNBDYMYXGTJCU-HNNXBMFYSA-N 0 0 404.348 5.391 40 0 HKABRN CCSc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1 ZINC000223254594 568542667 /nfs/dbraw/zinc/54/26/67/568542667.db2.gz LDENQIAEKRFXHU-HKWRFOASSA-N 0 0 406.507 5.110 40 0 HKABRN CC(C)(Cc1ccccc1)NC(=O)COc1ccc2ccccc2c1Br ZINC000223257910 568542817 /nfs/dbraw/zinc/54/28/17/568542817.db2.gz WRGBXXXHQMLNPU-UHFFFAOYSA-N 0 0 412.327 5.119 40 0 HKABRN C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc2c(c1)CCC2 ZINC000223258779 568542844 /nfs/dbraw/zinc/54/28/44/568542844.db2.gz GASMOXNBJAEYQU-MRXNPFEDSA-N 0 0 414.952 5.057 40 0 HKABRN C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc2c(c1)CCC2 ZINC000223258836 568543081 /nfs/dbraw/zinc/54/30/81/568543081.db2.gz GASMOXNBJAEYQU-INIZCTEOSA-N 0 0 414.952 5.057 40 0 HKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000223260558 568543010 /nfs/dbraw/zinc/54/30/10/568543010.db2.gz XTIBDDZRYYJQIK-JCMHNJIXSA-N 0 0 404.535 5.590 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1C(C)C ZINC000223261248 568543232 /nfs/dbraw/zinc/54/32/32/568543232.db2.gz MDFQIMMQEXQYTM-HXUWFJFHSA-N 0 0 401.550 6.136 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1C(C)C ZINC000223261299 568543150 /nfs/dbraw/zinc/54/31/50/568543150.db2.gz MDFQIMMQEXQYTM-FQEVSTJZSA-N 0 0 401.550 6.136 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1Cl ZINC000223261757 568543125 /nfs/dbraw/zinc/54/31/25/568543125.db2.gz FIYGMCAYBWRXQH-OAHLLOKOSA-N 0 0 403.906 5.355 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1Cl ZINC000223261812 568543141 /nfs/dbraw/zinc/54/31/41/568543141.db2.gz FIYGMCAYBWRXQH-HNNXBMFYSA-N 0 0 403.906 5.355 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)COc2ccc(Cl)cc2Cl)cc1C(C)C ZINC000223261885 568543236 /nfs/dbraw/zinc/54/32/36/568543236.db2.gz REEIGJHSKYUURQ-CQSZACIVSA-N 0 0 410.341 5.690 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)COc2ccc(Cl)cc2Cl)cc1C(C)C ZINC000223261942 568543234 /nfs/dbraw/zinc/54/32/34/568543234.db2.gz REEIGJHSKYUURQ-AWEZNQCLSA-N 0 0 410.341 5.690 40 0 HKABRN CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223262009 568543231 /nfs/dbraw/zinc/54/32/31/568543231.db2.gz FLSRSHHOPPAGON-DEOSSOPVSA-N 0 0 422.613 5.212 40 0 HKABRN CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223262071 568543191 /nfs/dbraw/zinc/54/31/91/568543191.db2.gz FLSRSHHOPPAGON-XMMPIXPASA-N 0 0 422.613 5.212 40 0 HKABRN O=C(CC(c1ccccc1)c1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000223262711 568543197 /nfs/dbraw/zinc/54/31/97/568543197.db2.gz PDEBGMCFCVRDTA-UHFFFAOYSA-N 0 0 419.937 6.019 40 0 HKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223263633 568543202 /nfs/dbraw/zinc/54/32/02/568543202.db2.gz SZFGMLYKSGHJAA-QGZVFWFLSA-N 0 0 413.568 5.243 40 0 HKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223263690 568543147 /nfs/dbraw/zinc/54/31/47/568543147.db2.gz SZFGMLYKSGHJAA-KRWDZBQOSA-N 0 0 413.568 5.243 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1C(C)C ZINC000223264880 568543352 /nfs/dbraw/zinc/54/33/52/568543352.db2.gz WXJDMJIXIKFBMO-LOWQCSRCSA-N 0 0 406.353 6.324 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1C(C)C ZINC000223264936 568543303 /nfs/dbraw/zinc/54/33/03/568543303.db2.gz WXJDMJIXIKFBMO-HEWZJLJBSA-N 0 0 406.353 6.324 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)ccc1Cl ZINC000223266847 568543432 /nfs/dbraw/zinc/54/34/32/568543432.db2.gz SVFDTXCZFZKKGK-NSHDSACASA-N 0 0 408.310 5.226 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)ccc1Cl ZINC000223266902 568543416 /nfs/dbraw/zinc/54/34/16/568543416.db2.gz SVFDTXCZFZKKGK-LLVKDONJSA-N 0 0 408.310 5.226 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1C(C)C ZINC000223267114 568543380 /nfs/dbraw/zinc/54/33/80/568543380.db2.gz QRGOQOPZLXRUNJ-HZPDHXFCSA-N 0 0 405.991 6.138 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1C(C)C ZINC000223267169 568543411 /nfs/dbraw/zinc/54/34/11/568543411.db2.gz QRGOQOPZLXRUNJ-JKSUJKDBSA-N 0 0 405.991 6.138 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1C(C)C ZINC000223267227 568543387 /nfs/dbraw/zinc/54/33/87/568543387.db2.gz QRGOQOPZLXRUNJ-CVEARBPZSA-N 0 0 405.991 6.138 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1C(C)C ZINC000223267287 568543452 /nfs/dbraw/zinc/54/34/52/568543452.db2.gz QRGOQOPZLXRUNJ-HOTGVXAUSA-N 0 0 405.991 6.138 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)CSCc2ccccc2Cl)cc1C(C)C ZINC000223268233 568543398 /nfs/dbraw/zinc/54/33/98/568543398.db2.gz OQIQQNCKWXWQJP-MRXNPFEDSA-N 0 0 405.991 5.891 40 0 HKABRN CC(C)Oc1cccc(CCCNC(=O)CSCc2ccc(Cl)cc2F)c1 ZINC000223268267 568543386 /nfs/dbraw/zinc/54/33/86/568543386.db2.gz JAOJMCFLEJBOOT-UHFFFAOYSA-N 0 0 409.954 5.249 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)CSCc2ccccc2Cl)cc1C(C)C ZINC000223268292 568543418 /nfs/dbraw/zinc/54/34/18/568543418.db2.gz OQIQQNCKWXWQJP-INIZCTEOSA-N 0 0 405.991 5.891 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1C(C)C ZINC000223268381 568543402 /nfs/dbraw/zinc/54/34/02/568543402.db2.gz LRFZBMGNLXWGGF-MRXNPFEDSA-N 0 0 405.991 5.891 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1C(C)C ZINC000223268434 568543451 /nfs/dbraw/zinc/54/34/51/568543451.db2.gz LRFZBMGNLXWGGF-INIZCTEOSA-N 0 0 405.991 5.891 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1C(C)C ZINC000223268517 568543414 /nfs/dbraw/zinc/54/34/14/568543414.db2.gz LQNIOZNZFIUBCD-MRXNPFEDSA-N 0 0 405.991 5.891 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1C(C)C ZINC000223268570 568543534 /nfs/dbraw/zinc/54/35/34/568543534.db2.gz LQNIOZNZFIUBCD-INIZCTEOSA-N 0 0 405.991 5.891 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1C(C)C ZINC000223269654 568543513 /nfs/dbraw/zinc/54/35/13/568543513.db2.gz FCNZDBDAZCHFOE-MRXNPFEDSA-N 0 0 405.991 6.140 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1C(C)C ZINC000223269711 568543564 /nfs/dbraw/zinc/54/35/64/568543564.db2.gz FCNZDBDAZCHFOE-INIZCTEOSA-N 0 0 405.991 6.140 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1C(C)C ZINC000223270507 568543511 /nfs/dbraw/zinc/54/35/11/568543511.db2.gz AWDBDSZVVXUFLI-IERINAHZSA-N 0 0 403.522 6.138 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1C(C)C ZINC000223270567 568543490 /nfs/dbraw/zinc/54/34/90/568543490.db2.gz AWDBDSZVVXUFLI-WWJLXRQJSA-N 0 0 403.522 6.138 40 0 HKABRN COc1ccc(CSCC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000223270650 568543522 /nfs/dbraw/zinc/54/35/22/568543522.db2.gz WVGUSGSFGNYRJZ-KRWDZBQOSA-N 0 0 401.572 5.246 40 0 HKABRN COc1ccc(CSCC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000223270714 568543552 /nfs/dbraw/zinc/54/35/52/568543552.db2.gz WVGUSGSFGNYRJZ-QGZVFWFLSA-N 0 0 401.572 5.246 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=O)CSCc2ccc(Cl)cc2F)cc1 ZINC000223272422 568543624 /nfs/dbraw/zinc/54/36/24/568543624.db2.gz YHLZNPULQYTCLD-HXUWFJFHSA-N 0 0 409.954 5.625 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=O)CSCc2ccc(Cl)cc2F)cc1 ZINC000223272481 568543656 /nfs/dbraw/zinc/54/36/56/568543656.db2.gz YHLZNPULQYTCLD-FQEVSTJZSA-N 0 0 409.954 5.625 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000223272552 568543617 /nfs/dbraw/zinc/54/36/17/568543617.db2.gz MRIQHBJTBPIXDQ-SXOMAYOGSA-N 0 0 413.561 5.937 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000223272611 568543616 /nfs/dbraw/zinc/54/36/16/568543616.db2.gz MRIQHBJTBPIXDQ-SVBPBHIXSA-N 0 0 413.561 5.937 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000223272669 568543613 /nfs/dbraw/zinc/54/36/13/568543613.db2.gz MRIQHBJTBPIXDQ-KAYWLYCHSA-N 0 0 413.561 5.937 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000223272720 568543688 /nfs/dbraw/zinc/54/36/88/568543688.db2.gz MRIQHBJTBPIXDQ-RRPNLBNLSA-N 0 0 413.561 5.937 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1C(C)C ZINC000223273134 568543686 /nfs/dbraw/zinc/54/36/86/568543686.db2.gz HCCDBHGUFNRLAA-AZVXTCMLSA-N 0 0 413.561 6.545 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1C(C)C ZINC000223273199 568543701 /nfs/dbraw/zinc/54/37/01/568543701.db2.gz HCCDBHGUFNRLAA-WATSXHCISA-N 0 0 413.561 6.545 40 0 HKABRN CCOc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1Cl ZINC000223273691 568543626 /nfs/dbraw/zinc/54/36/26/568543626.db2.gz IJOZRDRNDXJAKL-UHFFFAOYSA-N 0 0 418.773 5.709 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1C(C)C ZINC000223273894 568543699 /nfs/dbraw/zinc/54/36/99/568543699.db2.gz UGGOUWSUBPCSER-OAHLLOKOSA-N 0 0 423.981 6.030 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1C(C)C ZINC000223273952 568543703 /nfs/dbraw/zinc/54/37/03/568543703.db2.gz UGGOUWSUBPCSER-HNNXBMFYSA-N 0 0 423.981 6.030 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1F)Nc1ccccc1Sc1ccccc1 ZINC000223276033 568543750 /nfs/dbraw/zinc/54/37/50/568543750.db2.gz WPOILCXEAWNIRS-UHFFFAOYSA-N 0 0 417.958 6.502 40 0 HKABRN O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1SCc1ccccc1 ZINC000223277928 568543853 /nfs/dbraw/zinc/54/38/53/568543853.db2.gz LGBWSNPZWATLJP-UHFFFAOYSA-N 0 0 401.453 5.928 40 0 HKABRN O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(OCc2ccccc2Cl)c1 ZINC000223285134 568544087 /nfs/dbraw/zinc/54/40/87/568544087.db2.gz LQJWHXJGOCTTAT-UHFFFAOYSA-N 0 0 419.830 5.868 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)NCc1cccc(C(F)(F)F)c1 ZINC000223285996 568544098 /nfs/dbraw/zinc/54/40/98/568544098.db2.gz HRUORKAAGHKFKG-UHFFFAOYSA-N 0 0 408.272 5.562 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)c1 ZINC000223287134 568544085 /nfs/dbraw/zinc/54/40/85/568544085.db2.gz OIXQVVGNIFCNPZ-FQEVSTJZSA-N 0 0 419.590 6.817 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)c1 ZINC000223287197 568544283 /nfs/dbraw/zinc/54/42/83/568544283.db2.gz OIXQVVGNIFCNPZ-HXUWFJFHSA-N 0 0 419.590 6.817 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)COc2ccc(Br)cc2)c2ccccc2O1 ZINC000223288505 568544238 /nfs/dbraw/zinc/54/42/38/568544238.db2.gz NGHXJOYZTXFPMY-GOSISDBHSA-N 0 0 418.331 5.027 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)COc2ccc(Br)cc2)c2ccccc2O1 ZINC000223288561 568544260 /nfs/dbraw/zinc/54/42/60/568544260.db2.gz NGHXJOYZTXFPMY-SFHVURJKSA-N 0 0 418.331 5.027 40 0 HKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223290288 568544255 /nfs/dbraw/zinc/54/42/55/568544255.db2.gz YAKVXSGFKHPUDG-HNNXBMFYSA-N 0 0 413.568 5.360 40 0 HKABRN CC(C)c1ccccc1O[C@H](C)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223290341 568544231 /nfs/dbraw/zinc/54/42/31/568544231.db2.gz YAKVXSGFKHPUDG-OAHLLOKOSA-N 0 0 413.568 5.360 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)CN2c3cccc4cccc(c34)C2=O)cc1C(C)C ZINC000223294798 568544352 /nfs/dbraw/zinc/54/43/52/568544352.db2.gz FDNIVKDQQDTGAC-QGZVFWFLSA-N 0 0 416.521 5.118 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)CN2c3cccc4cccc(c34)C2=O)cc1C(C)C ZINC000223294860 568544359 /nfs/dbraw/zinc/54/43/59/568544359.db2.gz FDNIVKDQQDTGAC-KRWDZBQOSA-N 0 0 416.521 5.118 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)/C=C/c2ccc(Cl)cc2Cl)c2ccccc2O1 ZINC000223295194 568544382 /nfs/dbraw/zinc/54/43/82/568544382.db2.gz BETJFNTZRDKGGH-FMAYLGMYSA-N 0 0 404.337 6.205 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)/C=C/c2ccc(Cl)cc2Cl)c2ccccc2O1 ZINC000223295253 568544358 /nfs/dbraw/zinc/54/43/58/568544358.db2.gz BETJFNTZRDKGGH-RDELFYGPSA-N 0 0 404.337 6.205 40 0 HKABRN CCCCc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(OC)cc2)cc1 ZINC000223301424 568544515 /nfs/dbraw/zinc/54/45/15/568544515.db2.gz DADHXRYPQBRDCF-QJOMJCCJSA-N 0 0 418.493 5.040 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(OC(C)C)cc2)c1 ZINC000223302000 568544616 /nfs/dbraw/zinc/54/46/16/568544616.db2.gz IZMKXFHHMRPLNQ-JCMHNJIXSA-N 0 0 420.534 5.253 40 0 HKABRN O=C(Nc1nnc(SCc2ccccc2)s1)c1cc2c(ccc3ccccc23)o1 ZINC000223302119 568544623 /nfs/dbraw/zinc/54/46/23/568544623.db2.gz SNHLPURLEIPMKL-UHFFFAOYSA-N 0 0 417.515 5.982 40 0 HKABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2)c1ccc(OC)c(OC)c1 ZINC000223303120 568544651 /nfs/dbraw/zinc/54/46/51/568544651.db2.gz KIQSPYJZBVSUJB-FGZHOGPDSA-N 0 0 411.542 5.008 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000223303179 568544622 /nfs/dbraw/zinc/54/46/22/568544622.db2.gz KIQSPYJZBVSUJB-FCHUYYIVSA-N 0 0 411.542 5.008 40 0 HKABRN CC[C@@H](NC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2)c1ccc(OC)c(OC)c1 ZINC000223303239 568544650 /nfs/dbraw/zinc/54/46/50/568544650.db2.gz KIQSPYJZBVSUJB-YADHBBJMSA-N 0 0 411.542 5.008 40 0 HKABRN CC[C@H](NC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2)c1ccc(OC)c(OC)c1 ZINC000223303303 568544604 /nfs/dbraw/zinc/54/46/04/568544604.db2.gz KIQSPYJZBVSUJB-VXKWHMMOSA-N 0 0 411.542 5.008 40 0 HKABRN COc1cc(C)c([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1C(C)C ZINC000223305445 568544723 /nfs/dbraw/zinc/54/47/23/568544723.db2.gz YOETVBQQBDCNMV-CYBMUJFWSA-N 0 0 416.370 5.473 40 0 HKABRN COc1cc(C)c([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1C(C)C ZINC000223305494 568544773 /nfs/dbraw/zinc/54/47/73/568544773.db2.gz YOETVBQQBDCNMV-ZDUSSCGKSA-N 0 0 416.370 5.473 40 0 HKABRN CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223306290 568544756 /nfs/dbraw/zinc/54/47/56/568544756.db2.gz OEHINYOHYDKFPC-DEOSSOPVSA-N 0 0 422.613 5.212 40 0 HKABRN CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223306345 568544764 /nfs/dbraw/zinc/54/47/64/568544764.db2.gz OEHINYOHYDKFPC-XMMPIXPASA-N 0 0 422.613 5.212 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)c2cc3c(ccc4ccccc34)o2)cc1C(C)C ZINC000223308033 568544774 /nfs/dbraw/zinc/54/47/74/568544774.db2.gz RDDKSIKFRNDCQE-QGZVFWFLSA-N 0 0 401.506 6.517 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)c2cc3c(ccc4ccccc34)o2)cc1C(C)C ZINC000223308087 568544763 /nfs/dbraw/zinc/54/47/63/568544763.db2.gz RDDKSIKFRNDCQE-KRWDZBQOSA-N 0 0 401.506 6.517 40 0 HKABRN CCCSc1nnc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)s1 ZINC000223312488 568544917 /nfs/dbraw/zinc/54/49/17/568544917.db2.gz OHGTYANRZBQTPZ-UHFFFAOYSA-N 0 0 419.959 5.525 40 0 HKABRN Cc1ccc(-c2nnc(NC(=O)c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000223312661 568544811 /nfs/dbraw/zinc/54/48/11/568544811.db2.gz NJZNBLQIHVLUQN-UHFFFAOYSA-N 0 0 401.491 5.345 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000223313580 568545003 /nfs/dbraw/zinc/54/50/03/568545003.db2.gz YMOKTHSZKLMEOO-LJQANCHMSA-N 0 0 423.925 5.808 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000223313636 568545017 /nfs/dbraw/zinc/54/50/17/568545017.db2.gz YMOKTHSZKLMEOO-IBGZPJMESA-N 0 0 423.925 5.808 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C(C)C ZINC000223318178 568545088 /nfs/dbraw/zinc/54/50/88/568545088.db2.gz TXAJYXQCBSMUPB-RTBURBONSA-N 0 0 411.586 6.069 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C(C)C ZINC000223318236 568545111 /nfs/dbraw/zinc/54/51/11/568545111.db2.gz TXAJYXQCBSMUPB-RBUKOAKNSA-N 0 0 411.586 6.069 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C(C)C ZINC000223318295 568545099 /nfs/dbraw/zinc/54/50/99/568545099.db2.gz TXAJYXQCBSMUPB-MOPGFXCFSA-N 0 0 411.586 6.069 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C(C)C ZINC000223318352 568545141 /nfs/dbraw/zinc/54/51/41/568545141.db2.gz TXAJYXQCBSMUPB-OALUTQOASA-N 0 0 411.586 6.069 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C(C)C ZINC000223319792 568545129 /nfs/dbraw/zinc/54/51/29/568545129.db2.gz PJGKSKZVKDCXDT-QZTJIDSGSA-N 0 0 417.977 6.042 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C(C)C ZINC000223319850 568545085 /nfs/dbraw/zinc/54/50/85/568545085.db2.gz PJGKSKZVKDCXDT-ZWKOTPCHSA-N 0 0 417.977 6.042 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C(C)C ZINC000223319906 568545076 /nfs/dbraw/zinc/54/50/76/568545076.db2.gz PJGKSKZVKDCXDT-MSOLQXFVSA-N 0 0 417.977 6.042 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C(C)C ZINC000223319976 568545083 /nfs/dbraw/zinc/54/50/83/568545083.db2.gz PJGKSKZVKDCXDT-ROUUACIJSA-N 0 0 417.977 6.042 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1C(C)C ZINC000223320460 568545080 /nfs/dbraw/zinc/54/50/80/568545080.db2.gz LACXIDOHOGIBCQ-QGZVFWFLSA-N 0 0 403.950 5.817 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1C(C)C ZINC000223320517 568545097 /nfs/dbraw/zinc/54/50/97/568545097.db2.gz LACXIDOHOGIBCQ-KRWDZBQOSA-N 0 0 403.950 5.817 40 0 HKABRN COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1C(C)C ZINC000223323351 568545215 /nfs/dbraw/zinc/54/52/15/568545215.db2.gz WQYJMNBOJNUMHT-CQSZACIVSA-N 0 0 413.942 5.100 40 0 HKABRN COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1C(C)C ZINC000223323414 568545213 /nfs/dbraw/zinc/54/52/13/568545213.db2.gz WQYJMNBOJNUMHT-AWEZNQCLSA-N 0 0 413.942 5.100 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)COc2ccc(Br)cc2)cc1C(C)C ZINC000223327515 568545379 /nfs/dbraw/zinc/54/53/79/568545379.db2.gz MLTJMQFXNCMFKP-OAHLLOKOSA-N 0 0 420.347 5.146 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)COc2ccc(Br)cc2)cc1C(C)C ZINC000223327573 568545400 /nfs/dbraw/zinc/54/54/00/568545400.db2.gz MLTJMQFXNCMFKP-HNNXBMFYSA-N 0 0 420.347 5.146 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1C(C)C ZINC000223328897 568545356 /nfs/dbraw/zinc/54/53/56/568545356.db2.gz XPQKACZUCOAKKX-QGZVFWFLSA-N 0 0 403.950 5.653 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1C(C)C ZINC000223328956 568545349 /nfs/dbraw/zinc/54/53/49/568545349.db2.gz XPQKACZUCOAKKX-KRWDZBQOSA-N 0 0 403.950 5.653 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1C(C)C ZINC000223330276 568545371 /nfs/dbraw/zinc/54/53/71/568545371.db2.gz NHNMVKCXOBGSMG-HXUWFJFHSA-N 0 0 417.549 6.197 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1C(C)C ZINC000223330326 568545370 /nfs/dbraw/zinc/54/53/70/568545370.db2.gz NHNMVKCXOBGSMG-FQEVSTJZSA-N 0 0 417.549 6.197 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1C(C)C ZINC000223330660 568545477 /nfs/dbraw/zinc/54/54/77/568545477.db2.gz JILBQJOAYNNCKC-HXUWFJFHSA-N 0 0 417.549 6.197 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1C(C)C ZINC000223330712 568545461 /nfs/dbraw/zinc/54/54/61/568545461.db2.gz JILBQJOAYNNCKC-FQEVSTJZSA-N 0 0 417.549 6.197 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1C(C)C ZINC000223331090 568545507 /nfs/dbraw/zinc/54/55/07/568545507.db2.gz BEYFUMMWPIYYQZ-OAQYLSRUSA-N 0 0 415.577 6.403 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1C(C)C ZINC000223331144 568545496 /nfs/dbraw/zinc/54/54/96/568545496.db2.gz BEYFUMMWPIYYQZ-NRFANRHFSA-N 0 0 415.577 6.403 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1C(C)C ZINC000223331635 568545475 /nfs/dbraw/zinc/54/54/75/568545475.db2.gz QDIWBHOJTRCSKH-RTBURBONSA-N 0 0 405.538 5.925 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1C(C)C ZINC000223331704 568545485 /nfs/dbraw/zinc/54/54/85/568545485.db2.gz QDIWBHOJTRCSKH-RBUKOAKNSA-N 0 0 405.538 5.925 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1C(C)C ZINC000223331760 568545512 /nfs/dbraw/zinc/54/55/12/568545512.db2.gz QDIWBHOJTRCSKH-MOPGFXCFSA-N 0 0 405.538 5.925 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1C(C)C ZINC000223331819 568545479 /nfs/dbraw/zinc/54/54/79/568545479.db2.gz QDIWBHOJTRCSKH-OALUTQOASA-N 0 0 405.538 5.925 40 0 HKABRN COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)s2)cc1 ZINC000223331840 568545483 /nfs/dbraw/zinc/54/54/83/568545483.db2.gz JUFAWSUXQROAHC-OAHLLOKOSA-N 0 0 411.527 5.052 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc32)cc1C(C)C ZINC000223331892 568545502 /nfs/dbraw/zinc/54/55/02/568545502.db2.gz DAMKEWVBYNFXSR-RTBURBONSA-N 0 0 405.538 5.925 40 0 HKABRN COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)s2)cc1 ZINC000223331902 568545472 /nfs/dbraw/zinc/54/54/72/568545472.db2.gz JUFAWSUXQROAHC-HNNXBMFYSA-N 0 0 411.527 5.052 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc32)cc1C(C)C ZINC000223331951 568545484 /nfs/dbraw/zinc/54/54/84/568545484.db2.gz DAMKEWVBYNFXSR-RBUKOAKNSA-N 0 0 405.538 5.925 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc32)cc1C(C)C ZINC000223332004 568545465 /nfs/dbraw/zinc/54/54/65/568545465.db2.gz DAMKEWVBYNFXSR-MOPGFXCFSA-N 0 0 405.538 5.925 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc32)cc1C(C)C ZINC000223332056 568545511 /nfs/dbraw/zinc/54/55/11/568545511.db2.gz DAMKEWVBYNFXSR-OALUTQOASA-N 0 0 405.538 5.925 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1C(C)C ZINC000223333634 568545623 /nfs/dbraw/zinc/54/56/23/568545623.db2.gz RAGOUOUFAWXJOW-OAQYLSRUSA-N 0 0 415.577 6.526 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1C(C)C ZINC000223333682 568545597 /nfs/dbraw/zinc/54/55/97/568545597.db2.gz RAGOUOUFAWXJOW-NRFANRHFSA-N 0 0 415.577 6.526 40 0 HKABRN CCOC(=O)c1cc(NC(=O)CSCc2ccc(Cl)cc2F)ccc1Cl ZINC000223335295 568545577 /nfs/dbraw/zinc/54/55/77/568545577.db2.gz DEENKFMGJAZEEZ-UHFFFAOYSA-N 0 0 416.301 5.181 40 0 HKABRN CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000223337890 568545744 /nfs/dbraw/zinc/54/57/44/568545744.db2.gz PLTCYBZIUSLGHV-RUZDIDTESA-N 0 0 404.554 5.173 40 0 HKABRN CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000223337946 568545765 /nfs/dbraw/zinc/54/57/65/568545765.db2.gz PLTCYBZIUSLGHV-VWLOTQADSA-N 0 0 404.554 5.173 40 0 HKABRN CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccccc1Cl)c1ccccc1 ZINC000223338849 568545700 /nfs/dbraw/zinc/54/57/00/568545700.db2.gz LSDNRUTZNGZFIS-XMMPIXPASA-N 0 0 420.940 5.136 40 0 HKABRN CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccc1Cl)c1ccccc1 ZINC000223338912 568545685 /nfs/dbraw/zinc/54/56/85/568545685.db2.gz LSDNRUTZNGZFIS-DEOSSOPVSA-N 0 0 420.940 5.136 40 0 HKABRN CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000223338994 568545727 /nfs/dbraw/zinc/54/57/27/568545727.db2.gz AQPYXIJPCSKDJK-XMMPIXPASA-N 0 0 420.940 5.136 40 0 HKABRN CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000223339054 568545759 /nfs/dbraw/zinc/54/57/59/568545759.db2.gz AQPYXIJPCSKDJK-DEOSSOPVSA-N 0 0 420.940 5.136 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C1CCCC1 ZINC000223341564 568545878 /nfs/dbraw/zinc/54/58/78/568545878.db2.gz CBBDGHZQBOHDBC-DHIUTWEWSA-N 0 0 420.582 5.381 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C1CCCC1 ZINC000223341610 568545785 /nfs/dbraw/zinc/54/57/85/568545785.db2.gz CBBDGHZQBOHDBC-PKTZIBPZSA-N 0 0 420.582 5.381 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C1CCCC1 ZINC000223341668 568545838 /nfs/dbraw/zinc/54/58/38/568545838.db2.gz CBBDGHZQBOHDBC-XZOQPEGZSA-N 0 0 420.582 5.381 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C1CCCC1 ZINC000223341718 568545851 /nfs/dbraw/zinc/54/58/51/568545851.db2.gz CBBDGHZQBOHDBC-GOTSBHOMSA-N 0 0 420.582 5.381 40 0 HKABRN CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000223342357 568545836 /nfs/dbraw/zinc/54/58/36/568545836.db2.gz HDOAJHOHAZMUCM-AREMUKBSSA-N 0 0 418.581 5.563 40 0 HKABRN CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000223342427 568545844 /nfs/dbraw/zinc/54/58/44/568545844.db2.gz HDOAJHOHAZMUCM-SANMLTNESA-N 0 0 418.581 5.563 40 0 HKABRN CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 ZINC000223343174 568545818 /nfs/dbraw/zinc/54/58/18/568545818.db2.gz SVMKVZUVDHWHKA-AREMUKBSSA-N 0 0 414.549 5.181 40 0 HKABRN CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 ZINC000223343229 568545802 /nfs/dbraw/zinc/54/58/02/568545802.db2.gz SVMKVZUVDHWHKA-SANMLTNESA-N 0 0 414.549 5.181 40 0 HKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223343817 568545867 /nfs/dbraw/zinc/54/58/67/568545867.db2.gz OGFCWJUEBATSSR-OXJNMPFZSA-N 0 0 403.950 5.815 40 0 HKABRN CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223343882 568545882 /nfs/dbraw/zinc/54/58/82/568545882.db2.gz OGFCWJUEBATSSR-JXFKEZNVSA-N 0 0 403.950 5.815 40 0 HKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223343940 568545875 /nfs/dbraw/zinc/54/58/75/568545875.db2.gz OGFCWJUEBATSSR-OXQOHEQNSA-N 0 0 403.950 5.815 40 0 HKABRN CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223343995 568545872 /nfs/dbraw/zinc/54/58/72/568545872.db2.gz OGFCWJUEBATSSR-UZLBHIALSA-N 0 0 403.950 5.815 40 0 HKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223344080 568545891 /nfs/dbraw/zinc/54/58/91/568545891.db2.gz WNZNAAWTSOESBQ-HRAATJIYSA-N 0 0 403.950 5.815 40 0 HKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223344146 568545800 /nfs/dbraw/zinc/54/58/00/568545800.db2.gz WNZNAAWTSOESBQ-KKSFZXQISA-N 0 0 403.950 5.815 40 0 HKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223344207 568545788 /nfs/dbraw/zinc/54/57/88/568545788.db2.gz WNZNAAWTSOESBQ-IIBYNOLFSA-N 0 0 403.950 5.815 40 0 HKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223344263 568545791 /nfs/dbraw/zinc/54/57/91/568545791.db2.gz WNZNAAWTSOESBQ-IERDGZPVSA-N 0 0 403.950 5.815 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223344826 568545957 /nfs/dbraw/zinc/54/59/57/568545957.db2.gz DYKGPIUYJUTCGE-YADARESESA-N 0 0 419.565 6.315 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223344885 568545970 /nfs/dbraw/zinc/54/59/70/568545970.db2.gz DYKGPIUYJUTCGE-CYFREDJKSA-N 0 0 419.565 6.315 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223344937 568545997 /nfs/dbraw/zinc/54/59/97/568545997.db2.gz DYKGPIUYJUTCGE-NTKDMRAZSA-N 0 0 419.565 6.315 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223344990 568545914 /nfs/dbraw/zinc/54/59/14/568545914.db2.gz DYKGPIUYJUTCGE-DVECYGJZSA-N 0 0 419.565 6.315 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223345069 568546013 /nfs/dbraw/zinc/54/60/13/568546013.db2.gz REOJBBWOFDWEDZ-UQBPGWFLSA-N 0 0 419.565 6.315 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223345129 568545987 /nfs/dbraw/zinc/54/59/87/568545987.db2.gz REOJBBWOFDWEDZ-DFBJGRDBSA-N 0 0 419.565 6.315 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223345186 568545972 /nfs/dbraw/zinc/54/59/72/568545972.db2.gz REOJBBWOFDWEDZ-KBMIEXCESA-N 0 0 419.565 6.315 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223345238 568545977 /nfs/dbraw/zinc/54/59/77/568545977.db2.gz REOJBBWOFDWEDZ-CLOONOSVSA-N 0 0 419.565 6.315 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223346091 568545933 /nfs/dbraw/zinc/54/59/33/568545933.db2.gz MHTUCCWSUXANJM-KSFYIVLOSA-N 0 0 420.018 6.529 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223346151 568545989 /nfs/dbraw/zinc/54/59/89/568545989.db2.gz MHTUCCWSUXANJM-AOMKIAJQSA-N 0 0 420.018 6.529 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223346204 568545965 /nfs/dbraw/zinc/54/59/65/568545965.db2.gz MHTUCCWSUXANJM-OPAMFIHVSA-N 0 0 420.018 6.529 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223346259 568546007 /nfs/dbraw/zinc/54/60/07/568546007.db2.gz MHTUCCWSUXANJM-ZHRRBRCNSA-N 0 0 420.018 6.529 40 0 HKABRN CC(C)C(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000223346930 568546003 /nfs/dbraw/zinc/54/60/03/568546003.db2.gz LRDFGCDAHWPAIN-RUZDIDTESA-N 0 0 418.581 5.419 40 0 HKABRN CC(C)C(=O)N(Cc1ccccc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000223346990 568545904 /nfs/dbraw/zinc/54/59/04/568545904.db2.gz LRDFGCDAHWPAIN-VWLOTQADSA-N 0 0 418.581 5.419 40 0 HKABRN Cc1ccc(CNC(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)C(C)C)cc1 ZINC000223347734 568545921 /nfs/dbraw/zinc/54/59/21/568545921.db2.gz SCDJTMHPIKGCBG-RUZDIDTESA-N 0 0 414.549 5.037 40 0 HKABRN Cc1ccc(CNC(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)C(C)C)cc1 ZINC000223347801 568546006 /nfs/dbraw/zinc/54/60/06/568546006.db2.gz SCDJTMHPIKGCBG-VWLOTQADSA-N 0 0 414.549 5.037 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223352602 568546152 /nfs/dbraw/zinc/54/61/52/568546152.db2.gz GEAHUJGXCIALOD-HRAATJIYSA-N 0 0 403.950 5.815 40 0 HKABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223352648 568546232 /nfs/dbraw/zinc/54/62/32/568546232.db2.gz GEAHUJGXCIALOD-KKSFZXQISA-N 0 0 403.950 5.815 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223352707 568546254 /nfs/dbraw/zinc/54/62/54/568546254.db2.gz GEAHUJGXCIALOD-IIBYNOLFSA-N 0 0 403.950 5.815 40 0 HKABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223352772 568546220 /nfs/dbraw/zinc/54/62/20/568546220.db2.gz GEAHUJGXCIALOD-IERDGZPVSA-N 0 0 403.950 5.815 40 0 HKABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1C(C)C ZINC000223353540 568546225 /nfs/dbraw/zinc/54/62/25/568546225.db2.gz ROYCTNYNVMBACL-KRWDZBQOSA-N 0 0 419.587 5.299 40 0 HKABRN COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1C(C)C ZINC000223353589 568546149 /nfs/dbraw/zinc/54/61/49/568546149.db2.gz ROYCTNYNVMBACL-QGZVFWFLSA-N 0 0 419.587 5.299 40 0 HKABRN O=C(CCCOc1ccc(Cl)cc1)Nc1nnc(SCc2ccccc2)s1 ZINC000223354229 568546158 /nfs/dbraw/zinc/54/61/58/568546158.db2.gz RZVKCXGSKAIGAS-UHFFFAOYSA-N 0 0 419.959 5.282 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1Cc1ccco1 ZINC000223354314 568546216 /nfs/dbraw/zinc/54/62/16/568546216.db2.gz BRIHJFMXGCPTAB-FCHUYYIVSA-N 0 0 406.555 5.154 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1Cc1ccco1 ZINC000223354371 568546159 /nfs/dbraw/zinc/54/61/59/568546159.db2.gz BRIHJFMXGCPTAB-FGZHOGPDSA-N 0 0 406.555 5.154 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1Cc1ccco1 ZINC000223354426 568546169 /nfs/dbraw/zinc/54/61/69/568546169.db2.gz BRIHJFMXGCPTAB-VXKWHMMOSA-N 0 0 406.555 5.154 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1Cc1ccco1 ZINC000223354489 568546151 /nfs/dbraw/zinc/54/61/51/568546151.db2.gz BRIHJFMXGCPTAB-YADHBBJMSA-N 0 0 406.555 5.154 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000223355797 568546368 /nfs/dbraw/zinc/54/63/68/568546368.db2.gz MZFXADQMZPRFMN-LJQANCHMSA-N 0 0 422.750 5.777 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000223355842 568546314 /nfs/dbraw/zinc/54/63/14/568546314.db2.gz MZFXADQMZPRFMN-IBGZPJMESA-N 0 0 422.750 5.777 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1Cc1ccco1 ZINC000223360850 568546397 /nfs/dbraw/zinc/54/63/97/568546397.db2.gz YMCXUQBZVDYQRO-FCHUYYIVSA-N 0 0 401.491 5.107 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1Cc1ccco1 ZINC000223360905 568546483 /nfs/dbraw/zinc/54/64/83/568546483.db2.gz YMCXUQBZVDYQRO-FGZHOGPDSA-N 0 0 401.491 5.107 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1Cc1ccco1 ZINC000223360954 568546448 /nfs/dbraw/zinc/54/64/48/568546448.db2.gz YMCXUQBZVDYQRO-VXKWHMMOSA-N 0 0 401.491 5.107 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1Cc1ccco1 ZINC000223361014 568546474 /nfs/dbraw/zinc/54/64/74/568546474.db2.gz YMCXUQBZVDYQRO-YADHBBJMSA-N 0 0 401.491 5.107 40 0 HKABRN Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 ZINC000223361092 568546479 /nfs/dbraw/zinc/54/64/79/568546479.db2.gz KIAJWGMHXSEIGE-FGZHOGPDSA-N 0 0 419.481 5.246 40 0 HKABRN Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 ZINC000223361143 568546393 /nfs/dbraw/zinc/54/63/93/568546393.db2.gz KIAJWGMHXSEIGE-YADHBBJMSA-N 0 0 419.481 5.246 40 0 HKABRN Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 ZINC000223361204 568546398 /nfs/dbraw/zinc/54/63/98/568546398.db2.gz KIAJWGMHXSEIGE-FCHUYYIVSA-N 0 0 419.481 5.246 40 0 HKABRN Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 ZINC000223361272 568546399 /nfs/dbraw/zinc/54/63/99/568546399.db2.gz KIAJWGMHXSEIGE-VXKWHMMOSA-N 0 0 419.481 5.246 40 0 HKABRN COc1cc(NC(=O)CSCc2ccc(Cl)cc2F)c(OC)cc1Cl ZINC000223362521 568546438 /nfs/dbraw/zinc/54/64/38/568546438.db2.gz CPJKTHCWRLMBQC-UHFFFAOYSA-N 0 0 404.290 5.022 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1Cc1ccco1 ZINC000223365712 568546571 /nfs/dbraw/zinc/54/65/71/568546571.db2.gz VHPIAQQWHCGWDR-FCHUYYIVSA-N 0 0 406.555 5.154 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1Cc1ccco1 ZINC000223365762 568546559 /nfs/dbraw/zinc/54/65/59/568546559.db2.gz VHPIAQQWHCGWDR-FGZHOGPDSA-N 0 0 406.555 5.154 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1Cc1ccco1 ZINC000223365804 568546511 /nfs/dbraw/zinc/54/65/11/568546511.db2.gz VHPIAQQWHCGWDR-VXKWHMMOSA-N 0 0 406.555 5.154 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1Cc1ccco1 ZINC000223365857 568546603 /nfs/dbraw/zinc/54/66/03/568546603.db2.gz VHPIAQQWHCGWDR-YADHBBJMSA-N 0 0 406.555 5.154 40 0 HKABRN O=C(Nc1ccccc1Oc1ccccc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000223366215 568546666 /nfs/dbraw/zinc/54/66/66/568546666.db2.gz PHOHBNGDSZQAGT-NKFKGCMQSA-N 0 0 424.456 5.482 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)CCCSc2ccc(Cl)cc2)cc1C(C)C ZINC000223369446 568546647 /nfs/dbraw/zinc/54/66/47/568546647.db2.gz JQEQPMLPVIJCNZ-QGZVFWFLSA-N 0 0 420.018 6.530 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)CCCSc2ccc(Cl)cc2)cc1C(C)C ZINC000223369507 568546717 /nfs/dbraw/zinc/54/67/17/568546717.db2.gz JQEQPMLPVIJCNZ-KRWDZBQOSA-N 0 0 420.018 6.530 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1C(C)C ZINC000223371600 568546766 /nfs/dbraw/zinc/54/67/66/568546766.db2.gz XWCWKIYGBCNQJE-IAGOWNOFSA-N 0 0 403.950 5.734 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1C(C)C ZINC000223371667 568546761 /nfs/dbraw/zinc/54/67/61/568546761.db2.gz XWCWKIYGBCNQJE-DLBZAZTESA-N 0 0 403.950 5.734 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1C(C)C ZINC000223371730 568546770 /nfs/dbraw/zinc/54/67/70/568546770.db2.gz XWCWKIYGBCNQJE-SJORKVTESA-N 0 0 403.950 5.734 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1C(C)C ZINC000223371776 568546853 /nfs/dbraw/zinc/54/68/53/568546853.db2.gz XWCWKIYGBCNQJE-IRXDYDNUSA-N 0 0 403.950 5.734 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223373103 568546799 /nfs/dbraw/zinc/54/67/99/568546799.db2.gz NLVZQRBVDHVLKN-HTAPYJJXSA-N 0 0 417.977 6.124 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223373158 568546818 /nfs/dbraw/zinc/54/68/18/568546818.db2.gz NLVZQRBVDHVLKN-JTSKRJEESA-N 0 0 417.977 6.124 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223373217 568546792 /nfs/dbraw/zinc/54/67/92/568546792.db2.gz NLVZQRBVDHVLKN-VGOFRKELSA-N 0 0 417.977 6.124 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223373278 568546840 /nfs/dbraw/zinc/54/68/40/568546840.db2.gz NLVZQRBVDHVLKN-VGSWGCGISA-N 0 0 417.977 6.124 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CC1 ZINC000223375097 568546912 /nfs/dbraw/zinc/54/69/12/568546912.db2.gz CKLYRWMLFRGDBJ-DHIUTWEWSA-N 0 0 402.567 5.008 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CC1 ZINC000223375151 568546959 /nfs/dbraw/zinc/54/69/59/568546959.db2.gz CKLYRWMLFRGDBJ-PKTZIBPZSA-N 0 0 402.567 5.008 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CC1 ZINC000223375202 568546901 /nfs/dbraw/zinc/54/69/01/568546901.db2.gz CKLYRWMLFRGDBJ-XZOQPEGZSA-N 0 0 402.567 5.008 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CC1 ZINC000223375270 568546906 /nfs/dbraw/zinc/54/69/06/568546906.db2.gz CKLYRWMLFRGDBJ-GOTSBHOMSA-N 0 0 402.567 5.008 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1C(C)C ZINC000223376081 568546902 /nfs/dbraw/zinc/54/69/02/568546902.db2.gz POCXIOZWQRKVGN-WOJBJXKFSA-N 0 0 411.586 6.204 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1C(C)C ZINC000223376135 568546892 /nfs/dbraw/zinc/54/68/92/568546892.db2.gz POCXIOZWQRKVGN-VQTJNVASSA-N 0 0 411.586 6.204 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1C(C)C ZINC000223376188 568546952 /nfs/dbraw/zinc/54/69/52/568546952.db2.gz POCXIOZWQRKVGN-UXHICEINSA-N 0 0 411.586 6.204 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1C(C)C ZINC000223376253 568546910 /nfs/dbraw/zinc/54/69/10/568546910.db2.gz POCXIOZWQRKVGN-PMACEKPBSA-N 0 0 411.586 6.204 40 0 HKABRN Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 ZINC000223376690 568546894 /nfs/dbraw/zinc/54/68/94/568546894.db2.gz KAAQXMXSFFXLCP-JWQCQUIFSA-N 0 0 424.573 5.353 40 0 HKABRN Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 ZINC000223376749 568546904 /nfs/dbraw/zinc/54/69/04/568546904.db2.gz KAAQXMXSFFXLCP-RPBOFIJWSA-N 0 0 424.573 5.353 40 0 HKABRN Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 ZINC000223376810 568546883 /nfs/dbraw/zinc/54/68/83/568546883.db2.gz KAAQXMXSFFXLCP-LOSJGSFVSA-N 0 0 424.573 5.353 40 0 HKABRN Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 ZINC000223376866 568546893 /nfs/dbraw/zinc/54/68/93/568546893.db2.gz KAAQXMXSFFXLCP-DQEYMECFSA-N 0 0 424.573 5.353 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1Cc1ccccc1 ZINC000223378672 568547073 /nfs/dbraw/zinc/54/70/73/568547073.db2.gz OZOKMXMFIVMYBV-XZOQPEGZSA-N 0 0 402.567 5.171 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1Cc1ccccc1 ZINC000223378732 568547019 /nfs/dbraw/zinc/54/70/19/568547019.db2.gz OZOKMXMFIVMYBV-DHIUTWEWSA-N 0 0 402.567 5.171 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1Cc1ccccc1 ZINC000223378791 568547028 /nfs/dbraw/zinc/54/70/28/568547028.db2.gz OZOKMXMFIVMYBV-GOTSBHOMSA-N 0 0 402.567 5.171 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1Cc1ccccc1 ZINC000223378848 568547026 /nfs/dbraw/zinc/54/70/26/568547026.db2.gz OZOKMXMFIVMYBV-PKTZIBPZSA-N 0 0 402.567 5.171 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2F)cc1C(C)C ZINC000223379819 568547049 /nfs/dbraw/zinc/54/70/49/568547049.db2.gz DUDTWCUMUVSWIW-OAHLLOKOSA-N 0 0 423.981 6.030 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)CSCc2ccc(Cl)cc2F)cc1C(C)C ZINC000223379888 568547058 /nfs/dbraw/zinc/54/70/58/568547058.db2.gz DUDTWCUMUVSWIW-HNNXBMFYSA-N 0 0 423.981 6.030 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C(C)C ZINC000223380274 568547056 /nfs/dbraw/zinc/54/70/56/568547056.db2.gz IJXLFLXSQVIMAQ-DHIUTWEWSA-N 0 0 404.583 5.254 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C(C)C ZINC000223380329 568547020 /nfs/dbraw/zinc/54/70/20/568547020.db2.gz IJXLFLXSQVIMAQ-PKTZIBPZSA-N 0 0 404.583 5.254 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C(C)C ZINC000223380385 568547045 /nfs/dbraw/zinc/54/70/45/568547045.db2.gz IJXLFLXSQVIMAQ-XZOQPEGZSA-N 0 0 404.583 5.254 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C(C)C ZINC000223380436 568547055 /nfs/dbraw/zinc/54/70/55/568547055.db2.gz IJXLFLXSQVIMAQ-GOTSBHOMSA-N 0 0 404.583 5.254 40 0 HKABRN CC[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(OC)c(C)c1 ZINC000223381036 568547017 /nfs/dbraw/zinc/54/70/17/568547017.db2.gz KLNRXMCQDJOZRN-HSZRJFAPSA-N 0 0 405.563 6.177 40 0 HKABRN CC[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(OC)c(C)c1 ZINC000223381087 568547046 /nfs/dbraw/zinc/54/70/46/568547046.db2.gz KLNRXMCQDJOZRN-QHCPKHFHSA-N 0 0 405.563 6.177 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccc(C)cc1 ZINC000223384130 568547155 /nfs/dbraw/zinc/54/71/55/568547155.db2.gz MSBAIOSSQXJJBT-LEYFIJQKSA-N 0 0 418.562 5.403 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccc(C)cc1 ZINC000223384179 568547191 /nfs/dbraw/zinc/54/71/91/568547191.db2.gz MSBAIOSSQXJJBT-NRPPHEFGSA-N 0 0 418.562 5.403 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1C(C)C ZINC000223385722 568547146 /nfs/dbraw/zinc/54/71/46/568547146.db2.gz GJNXQUQBACZMBI-HXUWFJFHSA-N 0 0 419.569 5.480 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1C(C)C ZINC000223385773 568547193 /nfs/dbraw/zinc/54/71/93/568547193.db2.gz GJNXQUQBACZMBI-FQEVSTJZSA-N 0 0 419.569 5.480 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1C(C)C ZINC000223385855 568547206 /nfs/dbraw/zinc/54/72/06/568547206.db2.gz CTLVPCMLFSQOBA-GOSISDBHSA-N 0 0 405.542 5.171 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1C(C)C ZINC000223385920 568547173 /nfs/dbraw/zinc/54/71/73/568547173.db2.gz CTLVPCMLFSQOBA-SFHVURJKSA-N 0 0 405.542 5.171 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1C(C)C ZINC000223386286 568547152 /nfs/dbraw/zinc/54/71/52/568547152.db2.gz RMJRCHDEWIWUJS-OAHLLOKOSA-N 0 0 408.369 6.244 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1C(C)C ZINC000223386345 568547144 /nfs/dbraw/zinc/54/71/44/568547144.db2.gz RMJRCHDEWIWUJS-HNNXBMFYSA-N 0 0 408.369 6.244 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1C(C)C ZINC000223386436 568547181 /nfs/dbraw/zinc/54/71/81/568547181.db2.gz NFLKKDCFIRXEDB-OAHLLOKOSA-N 0 0 408.369 6.244 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1C(C)C ZINC000223386505 568547160 /nfs/dbraw/zinc/54/71/60/568547160.db2.gz NFLKKDCFIRXEDB-HNNXBMFYSA-N 0 0 408.369 6.244 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1C(C)C ZINC000223386590 568547198 /nfs/dbraw/zinc/54/71/98/568547198.db2.gz BOKYVCRNPNCYAO-OAHLLOKOSA-N 0 0 408.369 6.244 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1C(C)C ZINC000223386647 568547151 /nfs/dbraw/zinc/54/71/51/568547151.db2.gz BOKYVCRNPNCYAO-HNNXBMFYSA-N 0 0 408.369 6.244 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)Cc2cccc(Br)c2)cc1C(C)C ZINC000223389994 568547283 /nfs/dbraw/zinc/54/72/83/568547283.db2.gz UQBJIRFDXJULJW-OAHLLOKOSA-N 0 0 404.348 5.309 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)Cc2cccc(Br)c2)cc1C(C)C ZINC000223390062 568547274 /nfs/dbraw/zinc/54/72/74/568547274.db2.gz UQBJIRFDXJULJW-HNNXBMFYSA-N 0 0 404.348 5.309 40 0 HKABRN CC(C)CSc1nnc(NC(=O)c2ccccc2SCc2ccccc2)s1 ZINC000223390661 568547309 /nfs/dbraw/zinc/54/73/09/568547309.db2.gz JLFHYNRVWDYCBU-UHFFFAOYSA-N 0 0 415.609 5.831 40 0 HKABRN COc1cc(C)c([C@@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1C(C)C ZINC000223392183 568547295 /nfs/dbraw/zinc/54/72/95/568547295.db2.gz ARASZWWUNQLRTR-OAHLLOKOSA-N 0 0 409.448 5.402 40 0 HKABRN COc1cc(C)c([C@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1C(C)C ZINC000223392243 568547310 /nfs/dbraw/zinc/54/73/10/568547310.db2.gz ARASZWWUNQLRTR-HNNXBMFYSA-N 0 0 409.448 5.402 40 0 HKABRN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(CSc2ccccc2)cc1 ZINC000223393419 568547298 /nfs/dbraw/zinc/54/72/98/568547298.db2.gz BHOFPVODOYYTDA-UHFFFAOYSA-N 0 0 409.510 7.131 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1Cc1ccccc1 ZINC000223393509 568547278 /nfs/dbraw/zinc/54/72/78/568547278.db2.gz JJJUDIUMIGTZOE-BJKOFHAPSA-N 0 0 416.594 5.561 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1Cc1ccccc1 ZINC000223393567 568547297 /nfs/dbraw/zinc/54/72/97/568547297.db2.gz JJJUDIUMIGTZOE-DNQXCXABSA-N 0 0 416.594 5.561 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1Cc1ccccc1 ZINC000223393623 568547294 /nfs/dbraw/zinc/54/72/94/568547294.db2.gz JJJUDIUMIGTZOE-ZEQRLZLVSA-N 0 0 416.594 5.561 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1Cc1ccccc1 ZINC000223393676 568547313 /nfs/dbraw/zinc/54/73/13/568547313.db2.gz JJJUDIUMIGTZOE-RPWUZVMVSA-N 0 0 416.594 5.561 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1Cc1ccccc1 ZINC000223393752 568547314 /nfs/dbraw/zinc/54/73/14/568547314.db2.gz WYOYRGLLIUKOBD-BJKOFHAPSA-N 0 0 410.546 5.045 40 0 HKABRN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000223393802 568547301 /nfs/dbraw/zinc/54/73/01/568547301.db2.gz JHVLXBHDRDEOPP-UHFFFAOYSA-N 0 0 410.542 6.217 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1Cc1ccccc1 ZINC000223393813 568547307 /nfs/dbraw/zinc/54/73/07/568547307.db2.gz WYOYRGLLIUKOBD-DNQXCXABSA-N 0 0 410.546 5.045 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1Cc1ccccc1 ZINC000223393870 568547272 /nfs/dbraw/zinc/54/72/72/568547272.db2.gz WYOYRGLLIUKOBD-ZEQRLZLVSA-N 0 0 410.546 5.045 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1Cc1ccccc1 ZINC000223393926 568547435 /nfs/dbraw/zinc/54/74/35/568547435.db2.gz WYOYRGLLIUKOBD-RPWUZVMVSA-N 0 0 410.546 5.045 40 0 HKABRN CC(C)(C)c1ccc(OCCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1 ZINC000223393959 568547414 /nfs/dbraw/zinc/54/74/14/568547414.db2.gz BRZAIRPFSAGSRE-UHFFFAOYSA-N 0 0 419.590 6.085 40 0 HKABRN Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 ZINC000223394005 568547402 /nfs/dbraw/zinc/54/74/02/568547402.db2.gz MTMYQDDBOOOZAJ-JWQCQUIFSA-N 0 0 424.573 5.353 40 0 HKABRN Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 ZINC000223394057 568547405 /nfs/dbraw/zinc/54/74/05/568547405.db2.gz MTMYQDDBOOOZAJ-RPBOFIJWSA-N 0 0 424.573 5.353 40 0 HKABRN Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccc1 ZINC000223394092 568547426 /nfs/dbraw/zinc/54/74/26/568547426.db2.gz MTMYQDDBOOOZAJ-LOSJGSFVSA-N 0 0 424.573 5.353 40 0 HKABRN Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccc1 ZINC000223394135 568547424 /nfs/dbraw/zinc/54/74/24/568547424.db2.gz MTMYQDDBOOOZAJ-DQEYMECFSA-N 0 0 424.573 5.353 40 0 HKABRN CCCc1ccc(OCCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1 ZINC000223394179 568547397 /nfs/dbraw/zinc/54/73/97/568547397.db2.gz RFDUWSVPIWLHEX-UHFFFAOYSA-N 0 0 405.563 5.740 40 0 HKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223394203 568547423 /nfs/dbraw/zinc/54/74/23/568547423.db2.gz XDJHIOMKOJRSMH-JWQCQUIFSA-N 0 0 424.573 5.353 40 0 HKABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223394246 568547447 /nfs/dbraw/zinc/54/74/47/568547447.db2.gz XDJHIOMKOJRSMH-RPBOFIJWSA-N 0 0 424.573 5.353 40 0 HKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223394284 568547433 /nfs/dbraw/zinc/54/74/33/568547433.db2.gz XDJHIOMKOJRSMH-LOSJGSFVSA-N 0 0 424.573 5.353 40 0 HKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223394333 568547441 /nfs/dbraw/zinc/54/74/41/568547441.db2.gz XDJHIOMKOJRSMH-DQEYMECFSA-N 0 0 424.573 5.353 40 0 HKABRN Cc1cccc(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 ZINC000223394907 568547422 /nfs/dbraw/zinc/54/74/22/568547422.db2.gz PACYXXKEAPDPAO-UHFFFAOYSA-N 0 0 411.954 5.750 40 0 HKABRN Cc1ccccc1OCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000223394999 568547406 /nfs/dbraw/zinc/54/74/06/568547406.db2.gz RMTBNWYMTVMSJP-UHFFFAOYSA-N 0 0 411.954 5.750 40 0 HKABRN O=C(NCCOCc1ccccc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000223395318 568547446 /nfs/dbraw/zinc/54/74/46/568547446.db2.gz BGKXJQDSSVWJTG-UHFFFAOYSA-N 0 0 411.954 5.579 40 0 HKABRN O=C(NCCOc1ccc(F)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000223396005 568547448 /nfs/dbraw/zinc/54/74/48/568547448.db2.gz YCZNBYZVGPHFPB-UHFFFAOYSA-N 0 0 415.917 5.580 40 0 HKABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000223396340 568547407 /nfs/dbraw/zinc/54/74/07/568547407.db2.gz IOLZOSVHFPEWFR-CYBMUJFWSA-N 0 0 413.930 5.143 40 0 HKABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000223396399 568547418 /nfs/dbraw/zinc/54/74/18/568547418.db2.gz IOLZOSVHFPEWFR-ZDUSSCGKSA-N 0 0 413.930 5.143 40 0 HKABRN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1C ZINC000223397528 568547417 /nfs/dbraw/zinc/54/74/17/568547417.db2.gz FQLLWUFKHBKHLG-LJQANCHMSA-N 0 0 424.009 7.049 40 0 HKABRN Cc1cc(C)c([C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1C ZINC000223397588 568547421 /nfs/dbraw/zinc/54/74/21/568547421.db2.gz FQLLWUFKHBKHLG-IBGZPJMESA-N 0 0 424.009 7.049 40 0 HKABRN CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C ZINC000223398103 568547403 /nfs/dbraw/zinc/54/74/03/568547403.db2.gz LQGSMEMZWOOUKY-UHFFFAOYSA-N 0 0 407.514 5.013 40 0 HKABRN COc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1Cl ZINC000223398633 568547415 /nfs/dbraw/zinc/54/74/15/568547415.db2.gz DDTBGYMUEGOWHH-UHFFFAOYSA-N 0 0 404.746 5.319 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1Cc1ccccc1 ZINC000223398927 568547408 /nfs/dbraw/zinc/54/74/08/568547408.db2.gz YYKXLOWYOBDFQN-BJKOFHAPSA-N 0 0 411.530 5.514 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1Cc1ccccc1 ZINC000223398980 568547413 /nfs/dbraw/zinc/54/74/13/568547413.db2.gz YYKXLOWYOBDFQN-DNQXCXABSA-N 0 0 411.530 5.514 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1Cc1ccccc1 ZINC000223399021 568547439 /nfs/dbraw/zinc/54/74/39/568547439.db2.gz YYKXLOWYOBDFQN-ZEQRLZLVSA-N 0 0 411.530 5.514 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1Cc1ccccc1 ZINC000223399076 568547443 /nfs/dbraw/zinc/54/74/43/568547443.db2.gz YYKXLOWYOBDFQN-RPWUZVMVSA-N 0 0 411.530 5.514 40 0 HKABRN Cc1cc(C)c([C@@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1C ZINC000223400171 568547562 /nfs/dbraw/zinc/54/75/62/568547562.db2.gz RNISULFCLQILGI-HSJQUHBMSA-N 0 0 403.953 6.683 40 0 HKABRN Cc1cc(C)c([C@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1C ZINC000223400231 568547549 /nfs/dbraw/zinc/54/75/49/568547549.db2.gz RNISULFCLQILGI-WEKPXBEKSA-N 0 0 403.953 6.683 40 0 HKABRN Cc1cc(C)c([C@@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1C ZINC000223403337 568547545 /nfs/dbraw/zinc/54/75/45/568547545.db2.gz RFYAXWVNNJCSNA-MRXNPFEDSA-N 0 0 406.389 5.485 40 0 HKABRN Cc1cc(C)c([C@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1C ZINC000223403399 568547559 /nfs/dbraw/zinc/54/75/59/568547559.db2.gz RFYAXWVNNJCSNA-INIZCTEOSA-N 0 0 406.389 5.485 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2)cc1 ZINC000223403622 568547528 /nfs/dbraw/zinc/54/75/28/568547528.db2.gz FXMITRPMKCFYHQ-NRFANRHFSA-N 0 0 403.591 6.704 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)cc1 ZINC000223403681 568547519 /nfs/dbraw/zinc/54/75/19/568547519.db2.gz FXMITRPMKCFYHQ-OAQYLSRUSA-N 0 0 403.591 6.704 40 0 HKABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000223403850 568547527 /nfs/dbraw/zinc/54/75/27/568547527.db2.gz UTWBGKYRURLTEU-XMMPIXPASA-N 0 0 424.972 5.437 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1Cc1ccccc1 ZINC000223403875 568547540 /nfs/dbraw/zinc/54/75/40/568547540.db2.gz PDJVMFCZFHAOQS-XZOQPEGZSA-N 0 0 402.567 5.171 40 0 HKABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000223403904 568547539 /nfs/dbraw/zinc/54/75/39/568547539.db2.gz UTWBGKYRURLTEU-DEOSSOPVSA-N 0 0 424.972 5.437 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1Cc1ccccc1 ZINC000223403924 568547633 /nfs/dbraw/zinc/54/76/33/568547633.db2.gz PDJVMFCZFHAOQS-DHIUTWEWSA-N 0 0 402.567 5.171 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1Cc1ccccc1 ZINC000223403960 568547660 /nfs/dbraw/zinc/54/76/60/568547660.db2.gz PDJVMFCZFHAOQS-GOTSBHOMSA-N 0 0 402.567 5.171 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1Cc1ccccc1 ZINC000223404007 568547673 /nfs/dbraw/zinc/54/76/73/568547673.db2.gz PDJVMFCZFHAOQS-PKTZIBPZSA-N 0 0 402.567 5.171 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1Cc1ccccc1 ZINC000223404068 568547671 /nfs/dbraw/zinc/54/76/71/568547671.db2.gz FWBWGZCBQMZSET-BJKOFHAPSA-N 0 0 416.594 5.561 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1Cc1ccccc1 ZINC000223404116 568547664 /nfs/dbraw/zinc/54/76/64/568547664.db2.gz FWBWGZCBQMZSET-DNQXCXABSA-N 0 0 416.594 5.561 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1Cc1ccccc1 ZINC000223404143 568547656 /nfs/dbraw/zinc/54/76/56/568547656.db2.gz FWBWGZCBQMZSET-ZEQRLZLVSA-N 0 0 416.594 5.561 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1Cc1ccccc1 ZINC000223404197 568547621 /nfs/dbraw/zinc/54/76/21/568547621.db2.gz FWBWGZCBQMZSET-RPWUZVMVSA-N 0 0 416.594 5.561 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1Cc1ccccc1 ZINC000223404270 568547655 /nfs/dbraw/zinc/54/76/55/568547655.db2.gz FMMTVWFHUWOYPF-BJKOFHAPSA-N 0 0 410.546 5.045 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1Cc1ccccc1 ZINC000223404324 568547642 /nfs/dbraw/zinc/54/76/42/568547642.db2.gz FMMTVWFHUWOYPF-DNQXCXABSA-N 0 0 410.546 5.045 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1Cc1ccccc1 ZINC000223404366 568547658 /nfs/dbraw/zinc/54/76/58/568547658.db2.gz FMMTVWFHUWOYPF-ZEQRLZLVSA-N 0 0 410.546 5.045 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1Cc1ccccc1 ZINC000223404415 568547641 /nfs/dbraw/zinc/54/76/41/568547641.db2.gz FMMTVWFHUWOYPF-RPWUZVMVSA-N 0 0 410.546 5.045 40 0 HKABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 ZINC000223404515 568547654 /nfs/dbraw/zinc/54/76/54/568547654.db2.gz QGBBGHUHSYPASE-XMMPIXPASA-N 0 0 420.940 5.055 40 0 HKABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 ZINC000223404577 568547652 /nfs/dbraw/zinc/54/76/52/568547652.db2.gz QGBBGHUHSYPASE-DEOSSOPVSA-N 0 0 420.940 5.055 40 0 HKABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000223408860 568547712 /nfs/dbraw/zinc/54/77/12/568547712.db2.gz RDZIGNIEWMTBAZ-XMMPIXPASA-N 0 0 420.940 5.136 40 0 HKABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000223408925 568547716 /nfs/dbraw/zinc/54/77/16/568547716.db2.gz RDZIGNIEWMTBAZ-DEOSSOPVSA-N 0 0 420.940 5.136 40 0 HKABRN CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC ZINC000223411477 568547894 /nfs/dbraw/zinc/54/78/94/568547894.db2.gz GFUBHUAHYUUMJD-JOCHJYFZSA-N 0 0 400.950 5.126 40 0 HKABRN CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC ZINC000223411522 568547889 /nfs/dbraw/zinc/54/78/89/568547889.db2.gz GFUBHUAHYUUMJD-QFIPXVFZSA-N 0 0 400.950 5.126 40 0 HKABRN CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC ZINC000223412285 568547981 /nfs/dbraw/zinc/54/79/81/568547981.db2.gz QBJSHIQEGWEKJF-JOCHJYFZSA-N 0 0 400.950 5.126 40 0 HKABRN CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC ZINC000223412336 568547973 /nfs/dbraw/zinc/54/79/73/568547973.db2.gz QBJSHIQEGWEKJF-QFIPXVFZSA-N 0 0 400.950 5.126 40 0 HKABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223414614 568548008 /nfs/dbraw/zinc/54/80/08/568548008.db2.gz OZKIWQMMYDEADE-HSZRJFAPSA-N 0 0 424.928 5.119 40 0 HKABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223414673 568547989 /nfs/dbraw/zinc/54/79/89/568547989.db2.gz OZKIWQMMYDEADE-QHCPKHFHSA-N 0 0 424.928 5.119 40 0 HKABRN CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC ZINC000223415940 568548115 /nfs/dbraw/zinc/54/81/15/568548115.db2.gz QWEKHZRMNDYBLD-HSZRJFAPSA-N 0 0 414.977 5.516 40 0 HKABRN CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC ZINC000223416013 568548144 /nfs/dbraw/zinc/54/81/44/568548144.db2.gz QWEKHZRMNDYBLD-QHCPKHFHSA-N 0 0 414.977 5.516 40 0 HKABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCC(C)C)c1ccccc1 ZINC000223416103 568548111 /nfs/dbraw/zinc/54/81/11/568548111.db2.gz FPOCOFZJRBJIJX-HSZRJFAPSA-N 0 0 414.977 5.372 40 0 HKABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCC(C)C)c1ccccc1 ZINC000223416166 568548103 /nfs/dbraw/zinc/54/81/03/568548103.db2.gz FPOCOFZJRBJIJX-QHCPKHFHSA-N 0 0 414.977 5.372 40 0 HKABRN CC(C)(C)CC(C)(C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000223419475 568548383 /nfs/dbraw/zinc/54/83/83/568548383.db2.gz RMLIDBCQBRBYRC-QHCPKHFHSA-N 0 0 424.610 5.405 40 0 HKABRN CC(C)(C)CC(C)(C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000223419543 568548411 /nfs/dbraw/zinc/54/84/11/568548411.db2.gz RMLIDBCQBRBYRC-HSZRJFAPSA-N 0 0 424.610 5.405 40 0 HKABRN CCCC[C@@H](CC)CNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000223419895 568548338 /nfs/dbraw/zinc/54/83/38/568548338.db2.gz YSDSQJDFWLJGSU-CLOONOSVSA-N 0 0 424.610 5.407 40 0 HKABRN CCCC[C@H](CC)CNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000223419945 568548339 /nfs/dbraw/zinc/54/83/39/568548339.db2.gz YSDSQJDFWLJGSU-DFBJGRDBSA-N 0 0 424.610 5.407 40 0 HKABRN CCCC[C@@H](CC)CNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000223419998 568548404 /nfs/dbraw/zinc/54/84/04/568548404.db2.gz YSDSQJDFWLJGSU-KBMIEXCESA-N 0 0 424.610 5.407 40 0 HKABRN CCCC[C@H](CC)CNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000223420073 568548385 /nfs/dbraw/zinc/54/83/85/568548385.db2.gz YSDSQJDFWLJGSU-UQBPGWFLSA-N 0 0 424.610 5.407 40 0 HKABRN CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C ZINC000223420134 568548340 /nfs/dbraw/zinc/54/83/40/568548340.db2.gz KUJJWCWINUWFSA-JOCHJYFZSA-N 0 0 414.977 5.372 40 0 HKABRN CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C ZINC000223420173 568548407 /nfs/dbraw/zinc/54/84/07/568548407.db2.gz KUJJWCWINUWFSA-QFIPXVFZSA-N 0 0 414.977 5.372 40 0 HKABRN CC(C)CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C ZINC000223420232 568548377 /nfs/dbraw/zinc/54/83/77/568548377.db2.gz ZFFDEUXHERKTQO-JOCHJYFZSA-N 0 0 414.977 5.228 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 ZINC000223420247 568548381 /nfs/dbraw/zinc/54/83/81/568548381.db2.gz HYQFJRSLYRWATQ-LVXARBLLSA-N 0 0 401.550 6.100 40 0 HKABRN CC(C)CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C ZINC000223420277 568548337 /nfs/dbraw/zinc/54/83/37/568548337.db2.gz ZFFDEUXHERKTQO-QFIPXVFZSA-N 0 0 414.977 5.228 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 ZINC000223420278 568548424 /nfs/dbraw/zinc/54/84/24/568548424.db2.gz HYQFJRSLYRWATQ-RLWLMLJZSA-N 0 0 401.550 6.100 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 ZINC000223420325 568548351 /nfs/dbraw/zinc/54/83/51/568548351.db2.gz HYQFJRSLYRWATQ-HFZDXXHNSA-N 0 0 401.550 6.100 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 ZINC000223420384 568548409 /nfs/dbraw/zinc/54/84/09/568548409.db2.gz HYQFJRSLYRWATQ-QFQXNSOFSA-N 0 0 401.550 6.100 40 0 HKABRN O=C(NCCOc1ccc(Cl)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000223422655 568548594 /nfs/dbraw/zinc/54/85/94/568548594.db2.gz GVXNFCYKDCAUIY-LTGZKZEYSA-N 0 0 412.316 5.729 40 0 HKABRN O=C(NCCOc1ccccc1Cl)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000223422723 568548473 /nfs/dbraw/zinc/54/84/73/568548473.db2.gz AMHPAOVRJDMQTK-KNTRCKAVSA-N 0 0 412.316 5.729 40 0 HKABRN COc1ccccc1OCCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000223423287 568548513 /nfs/dbraw/zinc/54/85/13/568548513.db2.gz QVFSVROZBDTQRR-LVZFUZTISA-N 0 0 407.897 5.084 40 0 HKABRN O=C(Nc1ccc2c(c1)oc1ccccc12)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000223423443 568548523 /nfs/dbraw/zinc/54/85/23/568548523.db2.gz LNDMGHNSEJEFSJ-XQNSMLJCSA-N 0 0 423.899 7.419 40 0 HKABRN COc1cccc(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 ZINC000223423529 568548596 /nfs/dbraw/zinc/54/85/96/568548596.db2.gz PGDNKORODUWFLK-CJLVFECKSA-N 0 0 407.897 5.084 40 0 HKABRN COc1ccc(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 ZINC000223423610 568548512 /nfs/dbraw/zinc/54/85/12/568548512.db2.gz BFLKOZCVEFRYPF-OQKWZONESA-N 0 0 407.897 5.084 40 0 HKABRN CCc1ccc(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 ZINC000223423704 568548560 /nfs/dbraw/zinc/54/85/60/568548560.db2.gz YWULIGUIHUPFFI-PTGBLXJZSA-N 0 0 405.925 5.638 40 0 HKABRN Cc1ccc(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c(C)c1 ZINC000223423788 568548542 /nfs/dbraw/zinc/54/85/42/568548542.db2.gz RLNFBKSJRJKOLH-OQKWZONESA-N 0 0 405.925 5.693 40 0 HKABRN O=C(Nc1ccc(Cc2ccncc2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000223423879 568548574 /nfs/dbraw/zinc/54/85/74/568548574.db2.gz HZMSOFOCXWTNAR-NCELDCMTSA-N 0 0 424.931 6.505 40 0 HKABRN Cc1ccc(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1C ZINC000223423968 568548474 /nfs/dbraw/zinc/54/84/74/568548474.db2.gz USAJHXVAEYHJQG-HAVVHWLPSA-N 0 0 405.925 5.693 40 0 HKABRN CCCc1ccc(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 ZINC000223424314 568548709 /nfs/dbraw/zinc/54/87/09/568548709.db2.gz SKSTZZVGNYBERL-LYBHJNIJSA-N 0 0 419.952 6.028 40 0 HKABRN O=C(Nc1ccc2c3c(cccc31)CC2)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000223424402 568548702 /nfs/dbraw/zinc/54/87/02/568548702.db2.gz NQPNEVKHCVSSAM-HAVVHWLPSA-N 0 0 409.916 6.771 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCCOc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000223427155 568548605 /nfs/dbraw/zinc/54/86/05/568548605.db2.gz SLNPOFDYWUNKMQ-HAVVHWLPSA-N 0 0 407.897 5.084 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCCOc2ccccc2Cl)c2ccccc2)cc1 ZINC000223427243 568548735 /nfs/dbraw/zinc/54/87/35/568548735.db2.gz MUEHRHLIEUQDDO-HEHNFIMWSA-N 0 0 407.897 5.084 40 0 HKABRN COc1ccc(/C=C(/C(=O)Nc2ccc3c(c2)oc2ccccc23)c2ccccc2)cc1 ZINC000223428049 568548830 /nfs/dbraw/zinc/54/88/30/568548830.db2.gz GZCDLFFGMNIYKN-KOEQRZSOSA-N 0 0 419.480 6.774 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCCOc2ccc(C)cc2C)c2ccccc2)cc1 ZINC000223428385 568548787 /nfs/dbraw/zinc/54/87/87/568548787.db2.gz KLHVLDBLHJRJHP-HKOYGPOVSA-N 0 0 401.506 5.048 40 0 HKABRN COc1ccc(/C=C(/C(=O)Nc2ccc(Cc3ccncc3)cc2)c2ccccc2)cc1 ZINC000223428483 568548815 /nfs/dbraw/zinc/54/88/15/568548815.db2.gz XQLUDVXGDASQRB-NHFJDJAPSA-N 0 0 420.512 5.860 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCCOc2ccc(C)c(C)c2)c2ccccc2)cc1 ZINC000223428572 568548834 /nfs/dbraw/zinc/54/88/34/568548834.db2.gz OWCSLDUBQLTEHT-XIEYBQDHSA-N 0 0 401.506 5.048 40 0 HKABRN CCCc1ccc(OCCNC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)cc1 ZINC000223428924 568548863 /nfs/dbraw/zinc/54/88/63/568548863.db2.gz WGEVSVVVDQQRKU-LHLOQNFPSA-N 0 0 415.533 5.384 40 0 HKABRN COc1ccc(/C=C(/C(=O)Nc2ccc3c4c(cccc42)CC3)c2ccccc2)cc1 ZINC000223429021 568548823 /nfs/dbraw/zinc/54/88/23/568548823.db2.gz OYFNEGHQAQVGFO-XIEYBQDHSA-N 0 0 405.497 6.126 40 0 HKABRN Cc1ccc(CCC(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C ZINC000223430364 568548753 /nfs/dbraw/zinc/54/87/53/568548753.db2.gz PSHJMTVBKPYWEM-UHFFFAOYSA-N 0 0 405.542 5.242 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000223432360 568548845 /nfs/dbraw/zinc/54/88/45/568548845.db2.gz UAJBSOKMQMNQIY-LJQANCHMSA-N 0 0 411.851 6.034 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000223432409 568548789 /nfs/dbraw/zinc/54/87/89/568548789.db2.gz UAJBSOKMQMNQIY-IBGZPJMESA-N 0 0 411.851 6.034 40 0 HKABRN CSc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000223436787 568548965 /nfs/dbraw/zinc/54/89/65/568548965.db2.gz BWRYQYGKODBRCL-UHFFFAOYSA-N 0 0 416.273 5.535 40 0 HKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2C(C)C)cc1 ZINC000223437249 568548955 /nfs/dbraw/zinc/54/89/55/568548955.db2.gz WHEREYHCJYHORK-JCMHNJIXSA-N 0 0 404.535 5.590 40 0 HKABRN CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000223437266 568548916 /nfs/dbraw/zinc/54/89/16/568548916.db2.gz FKEJTLHQAFJPAU-UHFFFAOYSA-N 0 0 419.955 5.442 40 0 HKABRN CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000223437360 568548920 /nfs/dbraw/zinc/54/89/20/568548920.db2.gz YXWBTTZPWKQPQX-UHFFFAOYSA-N 0 0 405.928 5.655 40 0 HKABRN O=C(CSCc1c(Cl)cccc1Cl)NCCOc1ccc(Cl)cc1 ZINC000223442844 568549042 /nfs/dbraw/zinc/54/90/42/568549042.db2.gz OIQIHOHKEVOTJW-UHFFFAOYSA-N 0 0 404.746 5.075 40 0 HKABRN O=C(CSCc1c(Cl)cccc1Cl)NCCOc1ccccc1Cl ZINC000223442923 568549037 /nfs/dbraw/zinc/54/90/37/568549037.db2.gz NYDSHQGILWLYJL-UHFFFAOYSA-N 0 0 404.746 5.075 40 0 HKABRN O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc2c(c1)oc1ccccc12 ZINC000223443495 568549087 /nfs/dbraw/zinc/54/90/87/568549087.db2.gz XZTNLAOLCJEFPN-UHFFFAOYSA-N 0 0 416.329 6.765 40 0 HKABRN O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(Cc2ccncc2)cc1 ZINC000223443881 568549025 /nfs/dbraw/zinc/54/90/25/568549025.db2.gz GONDLAVKCOKFSF-UHFFFAOYSA-N 0 0 417.361 5.851 40 0 HKABRN CCCc1ccc(OCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000223444281 568549081 /nfs/dbraw/zinc/54/90/81/568549081.db2.gz KTSGPLDZHWGTBF-UHFFFAOYSA-N 0 0 412.382 5.374 40 0 HKABRN O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc2c3c(cccc31)CC2 ZINC000223444375 568549035 /nfs/dbraw/zinc/54/90/35/568549035.db2.gz SDTCCBAEURREKW-UHFFFAOYSA-N 0 0 402.346 6.117 40 0 HKABRN Cc1cc(C)c([C@@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1C ZINC000223450164 568549198 /nfs/dbraw/zinc/54/91/98/568549198.db2.gz GLQQGRFPZLDJDM-QGZVFWFLSA-N 0 0 404.348 5.247 40 0 HKABRN Cc1cc(C)c([C@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1C ZINC000223450218 568549162 /nfs/dbraw/zinc/54/91/62/568549162.db2.gz GLQQGRFPZLDJDM-KRWDZBQOSA-N 0 0 404.348 5.247 40 0 HKABRN Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(Cl)cc2Br)cc1C ZINC000223450308 568549149 /nfs/dbraw/zinc/54/91/49/568549149.db2.gz NWVGJHXWHYXATR-CQSZACIVSA-N 0 0 410.739 5.284 40 0 HKABRN Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(Cl)cc2Br)cc1C ZINC000223450363 568549173 /nfs/dbraw/zinc/54/91/73/568549173.db2.gz NWVGJHXWHYXATR-AWEZNQCLSA-N 0 0 410.739 5.284 40 0 HKABRN CCc1ccc(OCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(Br)c1 ZINC000223450441 568549158 /nfs/dbraw/zinc/54/91/58/568549158.db2.gz OUOKFPULFQXDCG-INIZCTEOSA-N 0 0 404.348 5.193 40 0 HKABRN CCc1ccc(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)c(Br)c1 ZINC000223450501 568549192 /nfs/dbraw/zinc/54/91/92/568549192.db2.gz OUOKFPULFQXDCG-MRXNPFEDSA-N 0 0 404.348 5.193 40 0 HKABRN Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1C ZINC000223450578 568549151 /nfs/dbraw/zinc/54/91/51/568549151.db2.gz FUYDCQZBQZQFOB-QGZVFWFLSA-N 0 0 418.375 5.754 40 0 HKABRN Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1C ZINC000223450638 568549187 /nfs/dbraw/zinc/54/91/87/568549187.db2.gz FUYDCQZBQZQFOB-KRWDZBQOSA-N 0 0 418.375 5.754 40 0 HKABRN Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(Br)cc2Cl)cc1C ZINC000223451559 568549153 /nfs/dbraw/zinc/54/91/53/568549153.db2.gz UTSAWTCMJRBLLT-CQSZACIVSA-N 0 0 410.739 5.284 40 0 HKABRN COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)oc2ccccc23)c(OC)c1OC ZINC000223451587 568549150 /nfs/dbraw/zinc/54/91/50/568549150.db2.gz YYVDWBCINUCGNF-UKTHLTGXSA-N 0 0 403.434 5.264 40 0 HKABRN Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(Br)cc2Cl)cc1C ZINC000223451612 568549304 /nfs/dbraw/zinc/54/93/04/568549304.db2.gz UTSAWTCMJRBLLT-AWEZNQCLSA-N 0 0 410.739 5.284 40 0 HKABRN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1C ZINC000223453131 568549294 /nfs/dbraw/zinc/54/92/94/568549294.db2.gz PQMMHZDZFKOYOI-LJQANCHMSA-N 0 0 407.941 6.335 40 0 HKABRN Cc1cc(C)c([C@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1C ZINC000223453192 568549309 /nfs/dbraw/zinc/54/93/09/568549309.db2.gz PQMMHZDZFKOYOI-IBGZPJMESA-N 0 0 407.941 6.335 40 0 HKABRN O=C(CSCc1ccc(Br)cc1)Nc1ccc2c3c(cccc31)CC2 ZINC000223455056 568549261 /nfs/dbraw/zinc/54/92/61/568549261.db2.gz KFYBDGXQCIOMNI-UHFFFAOYSA-N 0 0 412.352 5.573 40 0 HKABRN O=C(CSCc1c(F)cccc1Cl)Nc1ccc(Cc2ccncc2)cc1 ZINC000223456724 568549422 /nfs/dbraw/zinc/54/94/22/568549422.db2.gz LSVOVHAMMVZDNO-UHFFFAOYSA-N 0 0 400.906 5.337 40 0 HKABRN CC(C)(C)c1ccc(OCCNC(=O)CSCc2c(F)cccc2Cl)cc1 ZINC000223456888 568549381 /nfs/dbraw/zinc/54/93/81/568549381.db2.gz XBSTVNKLKRTFSO-UHFFFAOYSA-N 0 0 409.954 5.205 40 0 HKABRN CCCSc1nnc(NC(=O)c2ccccc2SCc2ccccc2)s1 ZINC000223457300 568549415 /nfs/dbraw/zinc/54/94/15/568549415.db2.gz KBBHBGCZYLOCHG-UHFFFAOYSA-N 0 0 401.582 5.585 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2)cc1 ZINC000223457589 568549395 /nfs/dbraw/zinc/54/93/95/568549395.db2.gz VWTYNNYWDOXSHZ-UHFFFAOYSA-N 0 0 411.954 5.750 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)NCCOc3ccccc3Cl)cc2)cc1 ZINC000223457649 568549429 /nfs/dbraw/zinc/54/94/29/568549429.db2.gz JJOORUTXFDHLQX-UHFFFAOYSA-N 0 0 411.954 5.750 40 0 HKABRN COc1ccccc1OCCNC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000223458243 568549413 /nfs/dbraw/zinc/54/94/13/568549413.db2.gz CHHXGQWBYJMLON-UHFFFAOYSA-N 0 0 407.535 5.105 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc2)cc1 ZINC000223458379 568549473 /nfs/dbraw/zinc/54/94/73/568549473.db2.gz SMTXGVRYXMIVQT-UHFFFAOYSA-N 0 0 423.537 7.439 40 0 HKABRN COc1cccc(OCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1 ZINC000223458465 568549477 /nfs/dbraw/zinc/54/94/77/568549477.db2.gz IFKUJZJMOZKKQE-UHFFFAOYSA-N 0 0 407.535 5.105 40 0 HKABRN COc1ccc(OCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 ZINC000223458550 568549578 /nfs/dbraw/zinc/54/95/78/568549578.db2.gz LTSARJYJUHNZBZ-UHFFFAOYSA-N 0 0 407.535 5.105 40 0 HKABRN CCc1ccc(OCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 ZINC000223458644 568549546 /nfs/dbraw/zinc/54/95/46/568549546.db2.gz UXZFBSCFKSVXAC-UHFFFAOYSA-N 0 0 405.563 5.659 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)NCCOc3ccc(C)cc3C)cc2)cc1 ZINC000223458714 568549581 /nfs/dbraw/zinc/54/95/81/568549581.db2.gz YPYQDMMXQFQYFW-UHFFFAOYSA-N 0 0 405.563 5.713 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2)cc1 ZINC000223458792 568549555 /nfs/dbraw/zinc/54/95/55/568549555.db2.gz CWZSRGHSMXQOOC-UHFFFAOYSA-N 0 0 424.569 6.525 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)NCCOc3ccc(C)c(C)c3)cc2)cc1 ZINC000223458875 568549583 /nfs/dbraw/zinc/54/95/83/568549583.db2.gz JWWPQCQIBKFEJU-UHFFFAOYSA-N 0 0 405.563 5.713 40 0 HKABRN CCCc1ccc(OCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 ZINC000223459228 568549515 /nfs/dbraw/zinc/54/95/15/568549515.db2.gz XOYUZJLGRLSEKO-UHFFFAOYSA-N 0 0 419.590 6.049 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccc4c5c(cccc53)CC4)cc2)cc1 ZINC000223459320 568549508 /nfs/dbraw/zinc/54/95/08/568549508.db2.gz TYRVLNHISYIRMM-UHFFFAOYSA-N 0 0 409.554 6.791 40 0 HKABRN O=C(Nc1ccc(CSc2ccccc2)cc1)C1(c2ccccc2)CCOCC1 ZINC000223459684 568549562 /nfs/dbraw/zinc/54/95/62/568549562.db2.gz WRVXGBMHUAMXCG-UHFFFAOYSA-N 0 0 403.547 5.666 40 0 HKABRN COc1cc2c(cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl)CCCC2 ZINC000223460766 568549526 /nfs/dbraw/zinc/54/95/26/568549526.db2.gz KLJRLODZFWZECJ-UHFFFAOYSA-N 0 0 419.852 5.047 40 0 HKABRN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1C ZINC000223461319 568549629 /nfs/dbraw/zinc/54/96/29/568549629.db2.gz SYSUJVAREUZROO-OAQYLSRUSA-N 0 0 419.590 6.274 40 0 HKABRN Cc1cc(C)c([C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1C ZINC000223461377 568549619 /nfs/dbraw/zinc/54/96/19/568549619.db2.gz SYSUJVAREUZROO-NRFANRHFSA-N 0 0 419.590 6.274 40 0 HKABRN CCCCc1ccc(NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1 ZINC000223462965 568549708 /nfs/dbraw/zinc/54/97/08/568549708.db2.gz HECKCCQHUBFFSX-UHFFFAOYSA-N 0 0 420.600 5.146 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000223466900 568549779 /nfs/dbraw/zinc/54/97/79/568549779.db2.gz XKUYQVZZZDFZJX-LJQANCHMSA-N 0 0 403.906 5.032 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000223466955 568549720 /nfs/dbraw/zinc/54/97/20/568549720.db2.gz XKUYQVZZZDFZJX-IBGZPJMESA-N 0 0 403.906 5.032 40 0 HKABRN Cc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1C ZINC000223470947 568549748 /nfs/dbraw/zinc/54/97/48/568549748.db2.gz GVBRSVRXXOQSII-GOSISDBHSA-N 0 0 416.968 5.494 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000223470974 568549792 /nfs/dbraw/zinc/54/97/92/568549792.db2.gz NLQDFDTWPVFIHL-LJQANCHMSA-N 0 0 411.851 6.034 40 0 HKABRN Cc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1C ZINC000223471002 568549728 /nfs/dbraw/zinc/54/97/28/568549728.db2.gz GVBRSVRXXOQSII-SFHVURJKSA-N 0 0 416.968 5.494 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000223471037 568549886 /nfs/dbraw/zinc/54/98/86/568549886.db2.gz NLQDFDTWPVFIHL-IBGZPJMESA-N 0 0 411.851 6.034 40 0 HKABRN Cc1cc(C)c([C@@H](C)NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1C ZINC000223475506 568549895 /nfs/dbraw/zinc/54/98/95/568549895.db2.gz NLVKIQNBJRDWFK-LJQANCHMSA-N 0 0 407.941 6.335 40 0 HKABRN Cc1cc(C)c([C@H](C)NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1C ZINC000223475566 568549921 /nfs/dbraw/zinc/54/99/21/568549921.db2.gz NLVKIQNBJRDWFK-IBGZPJMESA-N 0 0 407.941 6.335 40 0 HKABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000223475615 568549828 /nfs/dbraw/zinc/54/98/28/568549828.db2.gz NTMNAXUKEHEGRU-RUZDIDTESA-N 0 0 422.544 5.312 40 0 HKABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000223475667 568549846 /nfs/dbraw/zinc/54/98/46/568549846.db2.gz NTMNAXUKEHEGRU-VWLOTQADSA-N 0 0 422.544 5.312 40 0 HKABRN Cc1cc(C)c([C@@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1C ZINC000223476023 568549832 /nfs/dbraw/zinc/54/98/32/568549832.db2.gz GRKDYEKYBXRJKY-LJQANCHMSA-N 0 0 407.941 6.335 40 0 HKABRN Cc1cc(C)c([C@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1C ZINC000223476069 568550011 /nfs/dbraw/zinc/55/00/11/568550011.db2.gz GRKDYEKYBXRJKY-IBGZPJMESA-N 0 0 407.941 6.335 40 0 HKABRN O=C(COc1cccc2c1CCCC2)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000223476098 568549994 /nfs/dbraw/zinc/54/99/94/568549994.db2.gz TWVNYNDDYLOONR-UHFFFAOYSA-N 0 0 415.577 6.051 40 0 HKABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000223480895 568550087 /nfs/dbraw/zinc/55/00/87/568550087.db2.gz DYEGQYLHPGVDBM-RUZDIDTESA-N 0 0 418.512 5.012 40 0 HKABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000223480948 568550124 /nfs/dbraw/zinc/55/01/24/568550124.db2.gz DYEGQYLHPGVDBM-VWLOTQADSA-N 0 0 418.512 5.012 40 0 HKABRN Cc1cc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc(C)c1Cl ZINC000223495117 568550505 /nfs/dbraw/zinc/55/05/05/568550505.db2.gz WMQQWOAVJBYNMC-UHFFFAOYSA-N 0 0 408.310 5.146 40 0 HKABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000223496966 568550424 /nfs/dbraw/zinc/55/04/24/568550424.db2.gz VLMGOFCCTCPBSI-LJQANCHMSA-N 0 0 417.574 6.264 40 0 HKABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000223497012 568550447 /nfs/dbraw/zinc/55/04/47/568550447.db2.gz VLMGOFCCTCPBSI-IBGZPJMESA-N 0 0 417.574 6.264 40 0 HKABRN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cccc(OCc2ccccc2)c1 ZINC000223499252 568550495 /nfs/dbraw/zinc/55/04/95/568550495.db2.gz MFRLKXQCXFUAST-UHFFFAOYSA-N 0 0 421.909 5.690 40 0 HKABRN Cc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1C ZINC000223505182 568550596 /nfs/dbraw/zinc/55/05/96/568550596.db2.gz MMGVAIZWICAGPE-GOSISDBHSA-N 0 0 416.968 5.494 40 0 HKABRN Cc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1C ZINC000223505237 568550604 /nfs/dbraw/zinc/55/06/04/568550604.db2.gz MMGVAIZWICAGPE-SFHVURJKSA-N 0 0 416.968 5.494 40 0 HKABRN O=C(NCCOc1cccc2ccccc21)c1ccc(CSc2ccccc2)cc1 ZINC000223508584 568550659 /nfs/dbraw/zinc/55/06/59/568550659.db2.gz WLENOLWPGIYOKG-UHFFFAOYSA-N 0 0 413.542 5.941 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCCOc2cccc3ccccc32)c2ccccc2)cc1 ZINC000223510025 568550695 /nfs/dbraw/zinc/55/06/95/568550695.db2.gz IKNSFUVQVQTMJZ-LHLOQNFPSA-N 0 0 423.512 5.584 40 0 HKABRN O=C(CSCc1c(Cl)cccc1Cl)NCCOc1cccc2ccccc21 ZINC000223510593 568550681 /nfs/dbraw/zinc/55/06/81/568550681.db2.gz CHIAUUDKIIYVHG-UHFFFAOYSA-N 0 0 420.361 5.575 40 0 HKABRN O=C(CSCc1c(F)cccc1Cl)NCCOc1cccc2ccccc21 ZINC000223511023 568550706 /nfs/dbraw/zinc/55/07/06/568550706.db2.gz GTBUEHRTVAESSN-UHFFFAOYSA-N 0 0 403.906 5.061 40 0 HKABRN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C1(c2ccccc2)CCOCC1 ZINC000223515266 568550809 /nfs/dbraw/zinc/55/08/09/568550809.db2.gz KKSKFDZLFSGTAV-UHFFFAOYSA-N 0 0 415.577 5.841 40 0 HKABRN O=C(Cc1ccc(Cl)cc1F)NCCSCc1ccc(Cl)cc1Cl ZINC000223519026 568550782 /nfs/dbraw/zinc/55/07/82/568550782.db2.gz ICWYOXPOFBYEEP-UHFFFAOYSA-N 0 0 406.737 5.378 40 0 HKABRN O=C(NCCSCc1c(Cl)cccc1Cl)C1(c2ccccc2)CCCC1 ZINC000223521417 568550974 /nfs/dbraw/zinc/55/09/74/568550974.db2.gz XKELVTVBNPGCLM-UHFFFAOYSA-N 0 0 408.394 5.855 40 0 HKABRN CCc1cccc(CC)c1NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1 ZINC000223522943 568550928 /nfs/dbraw/zinc/55/09/28/568550928.db2.gz HPACTMHQPLVDJI-JWGURIENSA-N 0 0 402.494 5.122 40 0 HKABRN CC(C)(Cc1ccccc1)NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000223528310 568551048 /nfs/dbraw/zinc/55/10/48/568551048.db2.gz BUCFLBKEJABGHL-UHFFFAOYSA-N 0 0 419.396 5.343 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000223529424 568551015 /nfs/dbraw/zinc/55/10/15/568551015.db2.gz UQHNDLTWONMNNM-DHIUTWEWSA-N 0 0 417.549 6.196 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000223529489 568551091 /nfs/dbraw/zinc/55/10/91/568551091.db2.gz UQHNDLTWONMNNM-PKTZIBPZSA-N 0 0 417.549 6.196 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 ZINC000223529552 568551052 /nfs/dbraw/zinc/55/10/52/568551052.db2.gz UQHNDLTWONMNNM-XZOQPEGZSA-N 0 0 417.549 6.196 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 ZINC000223529606 568551056 /nfs/dbraw/zinc/55/10/56/568551056.db2.gz UQHNDLTWONMNNM-GOTSBHOMSA-N 0 0 417.549 6.196 40 0 HKABRN O=C(NCCOc1cccc2ccccc21)c1ccccc1SCc1ccccc1 ZINC000223535221 568551156 /nfs/dbraw/zinc/55/11/56/568551156.db2.gz HGACZUZVUKHTMX-UHFFFAOYSA-N 0 0 413.542 5.941 40 0 HKABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C(C)C ZINC000223536605 568551189 /nfs/dbraw/zinc/55/11/89/568551189.db2.gz RXXGDQWYSHFCRO-UHFFFAOYSA-N 0 0 411.523 5.720 40 0 HKABRN COc1ccc(CC(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1C ZINC000223538037 568551181 /nfs/dbraw/zinc/55/11/81/568551181.db2.gz HIEIPNBPZLZHRN-UHFFFAOYSA-N 0 0 411.954 6.131 40 0 HKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)Cc2ccc(OC)c(C)c2)cc1 ZINC000223540408 568551272 /nfs/dbraw/zinc/55/12/72/568551272.db2.gz NAEAPVFCIHJDNE-UHFFFAOYSA-N 0 0 411.885 5.639 40 0 HKABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000223544613 568551366 /nfs/dbraw/zinc/55/13/66/568551366.db2.gz ZXGPVZLPBSTWLG-STZFKDTASA-N 0 0 420.534 5.092 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C ZINC000223550618 568551438 /nfs/dbraw/zinc/55/14/38/568551438.db2.gz WOQCSUCIHLITQY-SFHVURJKSA-N 0 0 402.494 5.137 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1C ZINC000223550679 568551448 /nfs/dbraw/zinc/55/14/48/568551448.db2.gz WOQCSUCIHLITQY-GOSISDBHSA-N 0 0 402.494 5.137 40 0 HKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000223551076 568551450 /nfs/dbraw/zinc/55/14/50/568551450.db2.gz VNNQQSWBGQDEFA-CQSZACIVSA-N 0 0 408.310 5.308 40 0 HKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000223551126 568551569 /nfs/dbraw/zinc/55/15/69/568551569.db2.gz VNNQQSWBGQDEFA-AWEZNQCLSA-N 0 0 408.310 5.308 40 0 HKABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223552632 568551564 /nfs/dbraw/zinc/55/15/64/568551564.db2.gz BVKLVQRPGFPXLM-JOCHJYFZSA-N 0 0 422.613 5.119 40 0 HKABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223552692 568551627 /nfs/dbraw/zinc/55/16/27/568551627.db2.gz BVKLVQRPGFPXLM-QFIPXVFZSA-N 0 0 422.613 5.119 40 0 HKABRN CC(C)(C)c1ccc(CCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000223556386 568551683 /nfs/dbraw/zinc/55/16/83/568551683.db2.gz YOENOXZIZWRKBD-UHFFFAOYSA-N 0 0 411.596 5.699 40 0 HKABRN CC(C)Oc1ccc(CCCNC(=O)CSCc2ccc(Cl)cc2F)cc1 ZINC000223562712 568551873 /nfs/dbraw/zinc/55/18/73/568551873.db2.gz RXYFFNJZLWHQJA-UHFFFAOYSA-N 0 0 409.954 5.249 40 0 HKABRN CCc1cccc(CC)c1NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 ZINC000223564983 568551807 /nfs/dbraw/zinc/55/18/07/568551807.db2.gz ZZRJTYKIPZYIRM-JWGURIENSA-N 0 0 418.562 5.591 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)NCCOc1cccc2ccccc21 ZINC000223570149 568551938 /nfs/dbraw/zinc/55/19/38/568551938.db2.gz HCOSAWCLQNFXEI-UHFFFAOYSA-N 0 0 420.361 5.575 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)NCCOc1cccc2ccccc21 ZINC000223570235 568551931 /nfs/dbraw/zinc/55/19/31/568551931.db2.gz ALBHVMJKNQFPPK-UHFFFAOYSA-N 0 0 420.361 5.575 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1cccc2ccccc21 ZINC000223571200 568551962 /nfs/dbraw/zinc/55/19/62/568551962.db2.gz YYZKIBSDAARXAK-HSZRJFAPSA-N 0 0 405.538 5.490 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1cccc2ccccc21 ZINC000223571267 568551949 /nfs/dbraw/zinc/55/19/49/568551949.db2.gz YYZKIBSDAARXAK-QHCPKHFHSA-N 0 0 405.538 5.490 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1F)NCCOc1cccc2ccccc21 ZINC000223574344 568552055 /nfs/dbraw/zinc/55/20/55/568552055.db2.gz OXWQHGLAXKGEAA-UHFFFAOYSA-N 0 0 403.906 5.061 40 0 HKABRN O=C(NCCOc1ccc2ccccc2c1)c1ccc(CSc2ccccc2)cc1 ZINC000223581231 568552298 /nfs/dbraw/zinc/55/22/98/568552298.db2.gz JYKBDQOLUNLVOY-UHFFFAOYSA-N 0 0 413.542 5.941 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCCOc2ccc3ccccc3c2)c2ccccc2)cc1 ZINC000223582636 568552380 /nfs/dbraw/zinc/55/23/80/568552380.db2.gz ACHUOLOYYPCQRU-ZXVVBBHZSA-N 0 0 423.512 5.584 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000223582944 568552409 /nfs/dbraw/zinc/55/24/09/568552409.db2.gz MTFIGNMAHATBFR-UHFFFAOYSA-N 0 0 417.593 6.604 40 0 HKABRN O=C(CSCc1c(Cl)cccc1Cl)NCCOc1ccc2ccccc2c1 ZINC000223583083 568552406 /nfs/dbraw/zinc/55/24/06/568552406.db2.gz UDJCVPAUMNDXCJ-UHFFFAOYSA-N 0 0 420.361 5.575 40 0 HKABRN O=C(CSCc1c(F)cccc1Cl)NCCOc1ccc2ccccc2c1 ZINC000223583571 568552386 /nfs/dbraw/zinc/55/23/86/568552386.db2.gz JLDAZDKPZQGPOU-UHFFFAOYSA-N 0 0 403.906 5.061 40 0 HKABRN CCc1cccc(CC)c1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1 ZINC000223590612 568552595 /nfs/dbraw/zinc/55/25/95/568552595.db2.gz GFGGZYHDNYLROF-JWGURIENSA-N 0 0 402.494 5.122 40 0 HKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223599926 568552960 /nfs/dbraw/zinc/55/29/60/568552960.db2.gz QKVWRWPIRFVURK-RUZDIDTESA-N 0 0 422.613 5.466 40 0 HKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223599993 568552989 /nfs/dbraw/zinc/55/29/89/568552989.db2.gz QKVWRWPIRFVURK-VWLOTQADSA-N 0 0 422.613 5.466 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)c2ccccc2O1 ZINC000223600315 568552986 /nfs/dbraw/zinc/55/29/86/568552986.db2.gz XYCWDQQFYMLSKT-RUZDIDTESA-N 0 0 413.561 6.407 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)CC(c2ccccc2)c2ccccc2)c2ccccc2O1 ZINC000223600359 568552978 /nfs/dbraw/zinc/55/29/78/568552978.db2.gz XYCWDQQFYMLSKT-VWLOTQADSA-N 0 0 413.561 6.407 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccc(C)cc1 ZINC000223605495 568553112 /nfs/dbraw/zinc/55/31/12/568553112.db2.gz MHJVNOOGWIWVHV-NCJDQSJGSA-N 0 0 404.535 5.095 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccc(C)cc1 ZINC000223605553 568553118 /nfs/dbraw/zinc/55/31/18/568553118.db2.gz MHJVNOOGWIWVHV-YVUGPFRESA-N 0 0 404.535 5.095 40 0 HKABRN COc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(Cl)cc2F)c1 ZINC000223606252 568553135 /nfs/dbraw/zinc/55/31/35/568553135.db2.gz GOKGBGNLIRAPPY-UHFFFAOYSA-N 0 0 406.240 6.186 40 0 HKABRN O=C(NCCOc1ccc2ccccc2c1)c1ccccc1SCc1ccccc1 ZINC000223607544 568553089 /nfs/dbraw/zinc/55/30/89/568553089.db2.gz PZHDVIHICZCTSL-UHFFFAOYSA-N 0 0 413.542 5.941 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(SCC(C)C)s1 ZINC000223609338 568553239 /nfs/dbraw/zinc/55/32/39/568553239.db2.gz YULWMZFSKJYCQK-QGZVFWFLSA-N 0 0 401.557 5.236 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(SCC(C)C)s1 ZINC000223609393 568553290 /nfs/dbraw/zinc/55/32/90/568553290.db2.gz YULWMZFSKJYCQK-KRWDZBQOSA-N 0 0 401.557 5.236 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)C1(c2ccccc2)CCCC1 ZINC000223611769 568553243 /nfs/dbraw/zinc/55/32/43/568553243.db2.gz PNDNFLXDTMSTNM-UHFFFAOYSA-N 0 0 403.909 6.022 40 0 HKABRN CCCSc1nnc(NC(=O)c2ccc(CSc3ccccc3)cc2)s1 ZINC000223616354 568553523 /nfs/dbraw/zinc/55/35/23/568553523.db2.gz UNGBWXKMGWLHOO-UHFFFAOYSA-N 0 0 401.582 5.585 40 0 HKABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2C(C)C)cc1 ZINC000223622066 568553632 /nfs/dbraw/zinc/55/36/32/568553632.db2.gz IWDGHDLUINDHIL-JCMHNJIXSA-N 0 0 420.534 5.290 40 0 HKABRN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccccc2SCc2ccccc2)c1 ZINC000223628872 568554025 /nfs/dbraw/zinc/55/40/25/568554025.db2.gz ORQBYUDGZKLYHM-QGZVFWFLSA-N 0 0 407.535 5.487 40 0 HKABRN COc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2SCc2ccccc2)c1 ZINC000223628911 568553987 /nfs/dbraw/zinc/55/39/87/568553987.db2.gz ORQBYUDGZKLYHM-KRWDZBQOSA-N 0 0 407.535 5.487 40 0 HKABRN COc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C(C)C ZINC000223630604 568554092 /nfs/dbraw/zinc/55/40/92/568554092.db2.gz XGVJMHIYWQSNIJ-UHFFFAOYSA-N 0 0 423.578 5.518 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)NCCOc1ccc2ccccc2c1 ZINC000223638686 568554468 /nfs/dbraw/zinc/55/44/68/568554468.db2.gz NFIIJIAYGGDPCK-UHFFFAOYSA-N 0 0 420.361 5.575 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)NCCOc1ccc2ccccc2c1 ZINC000223638766 568554448 /nfs/dbraw/zinc/55/44/48/568554448.db2.gz FCYUJCBFEUDYQV-UHFFFAOYSA-N 0 0 420.361 5.575 40 0 HKABRN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)c1 ZINC000223639385 568554438 /nfs/dbraw/zinc/55/44/38/568554438.db2.gz WDJPJIOIFNQXKN-UHFFFAOYSA-N 0 0 409.595 5.880 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc2ccccc2c1 ZINC000223639849 568554440 /nfs/dbraw/zinc/55/44/40/568554440.db2.gz QFTURMVPKVLSQC-XMMPIXPASA-N 0 0 405.538 5.490 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc2ccccc2c1 ZINC000223639906 568554479 /nfs/dbraw/zinc/55/44/79/568554479.db2.gz QFTURMVPKVLSQC-DEOSSOPVSA-N 0 0 405.538 5.490 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1F)NCCOc1ccc2ccccc2c1 ZINC000223642574 568554613 /nfs/dbraw/zinc/55/46/13/568554613.db2.gz VYIMVWMDCPHCND-UHFFFAOYSA-N 0 0 403.906 5.061 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000223642709 568554541 /nfs/dbraw/zinc/55/45/41/568554541.db2.gz MTVWHGJYCHZJDF-HXUWFJFHSA-N 0 0 419.506 5.163 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000223642752 568554608 /nfs/dbraw/zinc/55/46/08/568554608.db2.gz MTVWHGJYCHZJDF-FQEVSTJZSA-N 0 0 419.506 5.163 40 0 HKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(CC)cc1 ZINC000223647262 568554745 /nfs/dbraw/zinc/55/47/45/568554745.db2.gz XLDVILAGBKVLLI-RUZDIDTESA-N 0 0 422.613 5.214 40 0 HKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(CC)cc1 ZINC000223647311 568554829 /nfs/dbraw/zinc/55/48/29/568554829.db2.gz XLDVILAGBKVLLI-VWLOTQADSA-N 0 0 422.613 5.214 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c2ccccc2O1 ZINC000223649983 568554887 /nfs/dbraw/zinc/55/48/87/568554887.db2.gz NMZLCGJICMEQCF-DNVCBOLYSA-N 0 0 403.975 6.019 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c2ccccc2O1 ZINC000223650038 568554877 /nfs/dbraw/zinc/55/48/77/568554877.db2.gz NMZLCGJICMEQCF-BEFAXECRSA-N 0 0 403.975 6.019 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c2ccccc2O1 ZINC000223650100 568554931 /nfs/dbraw/zinc/55/49/31/568554931.db2.gz NMZLCGJICMEQCF-HNAYVOBHSA-N 0 0 403.975 6.019 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c2ccccc2O1 ZINC000223650154 568554866 /nfs/dbraw/zinc/55/48/66/568554866.db2.gz NMZLCGJICMEQCF-KXBFYZLASA-N 0 0 403.975 6.019 40 0 HKABRN O=S(=O)(Nc1cccc(OCCc2ccccc2)c1)c1ccc2ccccc2c1 ZINC000223652320 568555015 /nfs/dbraw/zinc/55/50/15/568555015.db2.gz UMBJIBHGVQYUJB-UHFFFAOYSA-N 0 0 403.503 5.262 40 0 HKABRN CC(C)(C)c1ccc(OCCNC(=O)CCCSc2ccc(Cl)cc2)cc1 ZINC000223657391 568555247 /nfs/dbraw/zinc/55/52/47/568555247.db2.gz ZQAJSKBAAGZFKV-UHFFFAOYSA-N 0 0 405.991 5.705 40 0 HKABRN CC1(C)CCc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2O1 ZINC000223658770 568555248 /nfs/dbraw/zinc/55/52/48/568555248.db2.gz JKBMPYYOHVIBPU-UHFFFAOYSA-N 0 0 409.507 5.383 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000223658894 568555306 /nfs/dbraw/zinc/55/53/06/568555306.db2.gz PUKBIAFLGNSZGK-HSZRJFAPSA-N 0 0 411.586 5.634 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000223658959 568555302 /nfs/dbraw/zinc/55/53/02/568555302.db2.gz PUKBIAFLGNSZGK-QHCPKHFHSA-N 0 0 411.586 5.634 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000223659335 568555308 /nfs/dbraw/zinc/55/53/08/568555308.db2.gz XMHSVHFOGHYMQU-OAQYLSRUSA-N 0 0 403.950 5.299 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000223659393 568555256 /nfs/dbraw/zinc/55/52/56/568555256.db2.gz XMHSVHFOGHYMQU-NRFANRHFSA-N 0 0 403.950 5.299 40 0 HKABRN CC1(C)CCc2cc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2O1 ZINC000223661069 568555237 /nfs/dbraw/zinc/55/52/37/568555237.db2.gz QMQXEFZBSTZABR-UHFFFAOYSA-N 0 0 419.852 5.263 40 0 HKABRN CC1(C)CCc2cc(S(=O)(=O)Nc3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000223661143 568555271 /nfs/dbraw/zinc/55/52/71/568555271.db2.gz BWTRVUDWFRUMAJ-UHFFFAOYSA-N 0 0 423.534 5.170 40 0 HKABRN CC1(C)CCc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2O1 ZINC000223663004 568555363 /nfs/dbraw/zinc/55/53/63/568555363.db2.gz OECAVDZHPUDQLL-UHFFFAOYSA-N 0 0 419.852 5.263 40 0 HKABRN CC(C)c1ccc(OCC(=O)NC(C)(C)Cc2ccccc2)c(Br)c1 ZINC000223663815 568555378 /nfs/dbraw/zinc/55/53/78/568555378.db2.gz CGMPZIOHDKQMNJ-UHFFFAOYSA-N 0 0 404.348 5.089 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000223666109 568555458 /nfs/dbraw/zinc/55/54/58/568555458.db2.gz QETBCDAUEBVXES-DNQXCXABSA-N 0 0 417.549 6.196 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000223666164 568555496 /nfs/dbraw/zinc/55/54/96/568555496.db2.gz QETBCDAUEBVXES-RPWUZVMVSA-N 0 0 417.549 6.196 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 ZINC000223666233 568555482 /nfs/dbraw/zinc/55/54/82/568555482.db2.gz QETBCDAUEBVXES-BJKOFHAPSA-N 0 0 417.549 6.196 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 ZINC000223666293 568555495 /nfs/dbraw/zinc/55/54/95/568555495.db2.gz QETBCDAUEBVXES-ZEQRLZLVSA-N 0 0 417.549 6.196 40 0 HKABRN CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000223666944 568555498 /nfs/dbraw/zinc/55/54/98/568555498.db2.gz SBERSPQXWWPRNS-UHFFFAOYSA-N 0 0 419.590 6.085 40 0 HKABRN CC(C)(C)c1ccccc1OCCNC(=O)CSCc1c(F)cccc1Cl ZINC000223670682 568555634 /nfs/dbraw/zinc/55/56/34/568555634.db2.gz LOBNRVWLGHJFBL-UHFFFAOYSA-N 0 0 409.954 5.205 40 0 HKABRN COc1cc(C)c(S(=O)(=O)NCCCc2ccc(C(C)C)cc2)cc1C(C)C ZINC000223673040 568555754 /nfs/dbraw/zinc/55/57/54/568555754.db2.gz PTPLAOZLGYQVQV-UHFFFAOYSA-N 0 0 403.588 5.162 40 0 HKABRN O=C(Cc1ccc(Cl)cc1F)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000223674212 568555809 /nfs/dbraw/zinc/55/58/09/568555809.db2.gz MQLBFIOTLQTPMN-UHFFFAOYSA-N 0 0 406.737 5.378 40 0 HKABRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000223674540 568555856 /nfs/dbraw/zinc/55/58/56/568555856.db2.gz LTZDRITXGRJNKX-UHFFFAOYSA-N 0 0 421.562 5.633 40 0 HKABRN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)c1 ZINC000223675453 568555831 /nfs/dbraw/zinc/55/58/31/568555831.db2.gz DLQWYKRATILELP-UHFFFAOYSA-N 0 0 417.983 6.050 40 0 HKABRN CCc1cc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1OC ZINC000223680567 568555937 /nfs/dbraw/zinc/55/59/37/568555937.db2.gz MQAKQZCRDBKAFJ-UHFFFAOYSA-N 0 0 413.564 5.351 40 0 HKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000223684905 568556146 /nfs/dbraw/zinc/55/61/46/568556146.db2.gz UIMGJSWJLGNWIV-STZFKDTASA-N 0 0 404.535 5.391 40 0 HKABRN COc1ccc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2c1 ZINC000223686515 568556222 /nfs/dbraw/zinc/55/62/22/568556222.db2.gz ZKYYHZMAENGPGP-UHFFFAOYSA-N 0 0 405.475 5.442 40 0 HKABRN CCc1cc(S(=O)(=O)Nc2ccc3c(c2)c2ccccc2n3CC)ccc1OC ZINC000223687317 568556271 /nfs/dbraw/zinc/55/62/71/568556271.db2.gz CPAKPRIRZSWUNN-UHFFFAOYSA-N 0 0 408.523 5.186 40 0 HKABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(CC)cc1 ZINC000223694253 568556464 /nfs/dbraw/zinc/55/64/64/568556464.db2.gz UQIUYFKRILDNTN-RUZDIDTESA-N 0 0 422.613 5.214 40 0 HKABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(CC)cc1 ZINC000223694313 568556397 /nfs/dbraw/zinc/55/63/97/568556397.db2.gz UQIUYFKRILDNTN-VWLOTQADSA-N 0 0 422.613 5.214 40 0 HKABRN CC(C)(C)c1ccccc1OCCNC(=O)c1ccccc1SCc1ccccc1 ZINC000223696692 568556540 /nfs/dbraw/zinc/55/65/40/568556540.db2.gz NBXNHVWLSVUQMZ-UHFFFAOYSA-N 0 0 419.590 6.085 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)cc(C)c1Cl ZINC000223699410 568556632 /nfs/dbraw/zinc/55/66/32/568556632.db2.gz ODQJQSPCTDEHKU-KRWDZBQOSA-N 0 0 403.950 5.217 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)cc(C)c1Cl ZINC000223699463 568556600 /nfs/dbraw/zinc/55/66/00/568556600.db2.gz ODQJQSPCTDEHKU-QGZVFWFLSA-N 0 0 403.950 5.217 40 0 HKABRN Cc1cc(OCC(=O)Nc2nnc(SCc3ccccc3)s2)cc(C)c1Cl ZINC000223703459 568556744 /nfs/dbraw/zinc/55/67/44/568556744.db2.gz USEPQOPNNLZXOS-UHFFFAOYSA-N 0 0 419.959 5.118 40 0 HKABRN CC1(C)CCc2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2O1 ZINC000223704358 568556727 /nfs/dbraw/zinc/55/67/27/568556727.db2.gz YSZLPTUXLMBCRA-UHFFFAOYSA-N 0 0 421.562 5.181 40 0 HKABRN CC(C)(C)c1ccccc1OCCNC(=O)c1cccc(OCc2ccccc2)c1 ZINC000223705380 568556808 /nfs/dbraw/zinc/55/68/08/568556808.db2.gz OHICQBXSTOOXFT-UHFFFAOYSA-N 0 0 403.522 5.372 40 0 HKABRN CC(C)(C)c1ccccc1OCCNC(=O)c1ccccc1OCc1ccccc1 ZINC000223705627 568556830 /nfs/dbraw/zinc/55/68/30/568556830.db2.gz AJQZPZOHVXAIIC-UHFFFAOYSA-N 0 0 403.522 5.372 40 0 HKABRN CC(C)(C)c1ccccc1OCCNC(=O)c1ccccc1CCc1ccccc1 ZINC000223705890 568556811 /nfs/dbraw/zinc/55/68/11/568556811.db2.gz GAGHGVAIGNXLTR-UHFFFAOYSA-N 0 0 401.550 5.578 40 0 HKABRN CC(C)(C)c1ccccc1OCCNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000223707678 568556824 /nfs/dbraw/zinc/55/68/24/568556824.db2.gz UVBPUBDQMVIVDV-UHFFFAOYSA-N 0 0 401.550 5.701 40 0 HKABRN CCCOc1ccccc1CCCNC(=O)CSCc1ccc(Cl)cc1F ZINC000223711886 568557058 /nfs/dbraw/zinc/55/70/58/568557058.db2.gz SGJSEFRZTNIEQK-UHFFFAOYSA-N 0 0 409.954 5.250 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000223714238 568557081 /nfs/dbraw/zinc/55/70/81/568557081.db2.gz TWFFLXSJFISFTA-JOCHJYFZSA-N 0 0 405.538 5.490 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000223714301 568557052 /nfs/dbraw/zinc/55/70/52/568557052.db2.gz TWFFLXSJFISFTA-QFIPXVFZSA-N 0 0 405.538 5.490 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000223714388 568557060 /nfs/dbraw/zinc/55/70/60/568557060.db2.gz UOTRSXGCAOGHCP-HSZRJFAPSA-N 0 0 405.538 5.490 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000223714445 568557045 /nfs/dbraw/zinc/55/70/45/568557045.db2.gz UOTRSXGCAOGHCP-QHCPKHFHSA-N 0 0 405.538 5.490 40 0 HKABRN CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)C1(c2ccccc2)CCCC1 ZINC000223714478 568557097 /nfs/dbraw/zinc/55/70/97/568557097.db2.gz PWPPEOHKTSJSEC-UHFFFAOYSA-N 0 0 417.553 5.505 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000223714947 568557209 /nfs/dbraw/zinc/55/72/09/568557209.db2.gz FZLNQBOIGOFSTE-HXUWFJFHSA-N 0 0 405.991 5.703 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000223715005 568557187 /nfs/dbraw/zinc/55/71/87/568557187.db2.gz FZLNQBOIGOFSTE-FQEVSTJZSA-N 0 0 405.991 5.703 40 0 HKABRN CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)ccc1Cl ZINC000223717965 568557311 /nfs/dbraw/zinc/55/73/11/568557311.db2.gz DNSZIQCRKMIFSS-OAQYLSRUSA-N 0 0 415.917 5.192 40 0 HKABRN CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)ccc1Cl ZINC000223718008 568557317 /nfs/dbraw/zinc/55/73/17/568557317.db2.gz DNSZIQCRKMIFSS-NRFANRHFSA-N 0 0 415.917 5.192 40 0 HKABRN COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c(Cl)c1Cl ZINC000223719022 568557276 /nfs/dbraw/zinc/55/72/76/568557276.db2.gz LNGGVIBPBYEVPS-UHFFFAOYSA-N 0 0 416.370 5.120 40 0 HKABRN CCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1Cl ZINC000223719542 568557383 /nfs/dbraw/zinc/55/73/83/568557383.db2.gz ZLNIZDKPIWZFEY-UHFFFAOYSA-N 0 0 405.932 5.135 40 0 HKABRN CC(C)Sc1nnc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)s1 ZINC000223723015 568557522 /nfs/dbraw/zinc/55/75/22/568557522.db2.gz HZSUIBMOUVYGJQ-UHFFFAOYSA-N 0 0 419.959 5.523 40 0 HKABRN CCCCc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 ZINC000223723243 568557527 /nfs/dbraw/zinc/55/75/27/568557527.db2.gz SOQPBRDCNJWXSF-QJOMJCCJSA-N 0 0 418.562 5.809 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000223730117 568557609 /nfs/dbraw/zinc/55/76/09/568557609.db2.gz MGMOBBVBSSESQR-LJQANCHMSA-N 0 0 403.507 5.463 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000223730173 568557647 /nfs/dbraw/zinc/55/76/47/568557647.db2.gz MGMOBBVBSSESQR-IBGZPJMESA-N 0 0 403.507 5.463 40 0 HKABRN CC(C)(C)c1ccccc1OCCNC(=O)CCCSc1ccc(Cl)cc1 ZINC000223731000 568557571 /nfs/dbraw/zinc/55/75/71/568557571.db2.gz GYPQKQIFJGVUHR-UHFFFAOYSA-N 0 0 405.991 5.705 40 0 HKABRN O=S(=O)(NCc1cccc(Oc2ccccc2)c1)c1cc(Cl)ccc1Cl ZINC000223731476 568557645 /nfs/dbraw/zinc/55/76/45/568557645.db2.gz NAFDMARHIDCKRB-UHFFFAOYSA-N 0 0 408.306 5.264 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223731551 568557682 /nfs/dbraw/zinc/55/76/82/568557682.db2.gz LWNYWUXFKDUJEU-QGZVFWFLSA-N 0 0 413.568 5.243 40 0 HKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223731606 568557724 /nfs/dbraw/zinc/55/77/24/568557724.db2.gz LWNYWUXFKDUJEU-KRWDZBQOSA-N 0 0 413.568 5.243 40 0 HKABRN CN(Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000223731885 568557697 /nfs/dbraw/zinc/55/76/97/568557697.db2.gz GHOAIBYNBWMQLU-UHFFFAOYSA-N 0 0 422.333 5.606 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000223732681 568557715 /nfs/dbraw/zinc/55/77/15/568557715.db2.gz JJLBXRJBAUIYMW-JOCHJYFZSA-N 0 0 411.586 5.634 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000223732736 568557689 /nfs/dbraw/zinc/55/76/89/568557689.db2.gz JJLBXRJBAUIYMW-QFIPXVFZSA-N 0 0 411.586 5.634 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000223733071 568557732 /nfs/dbraw/zinc/55/77/32/568557732.db2.gz XTGNLLBBPYOPMF-HXUWFJFHSA-N 0 0 403.950 5.299 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000223733118 568557678 /nfs/dbraw/zinc/55/76/78/568557678.db2.gz XTGNLLBBPYOPMF-FQEVSTJZSA-N 0 0 403.950 5.299 40 0 HKABRN CC(C)(C)c1ccccc1OCCNC(=O)CSCc1ccc(Cl)cc1F ZINC000223736380 568557714 /nfs/dbraw/zinc/55/77/14/568557714.db2.gz AUZUKIIYECEGRH-UHFFFAOYSA-N 0 0 409.954 5.205 40 0 HKABRN CN(Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000223738506 568557783 /nfs/dbraw/zinc/55/77/83/568557783.db2.gz PZWKRFNPDITDES-UHFFFAOYSA-N 0 0 403.503 5.453 40 0 HKABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 ZINC000223739398 568557776 /nfs/dbraw/zinc/55/77/76/568557776.db2.gz QGRQOJOQIHOLJH-RUZDIDTESA-N 0 0 422.613 5.214 40 0 HKABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 ZINC000223739456 568557823 /nfs/dbraw/zinc/55/78/23/568557823.db2.gz QGRQOJOQIHOLJH-VWLOTQADSA-N 0 0 422.613 5.214 40 0 HKABRN COc1ccc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)cc1C(C)C ZINC000223740341 568557767 /nfs/dbraw/zinc/55/77/67/568557767.db2.gz OJJPOBILEXNHLA-UHFFFAOYSA-N 0 0 411.523 5.089 40 0 HKABRN CC1(C)CCc2cc(S(=O)(=O)NCc3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000223744857 568557881 /nfs/dbraw/zinc/55/78/81/568557881.db2.gz AORGVWLMPPHJHF-UHFFFAOYSA-N 0 0 423.534 5.061 40 0 HKABRN CC(C)c1ccccc1OCCNC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000223746032 568557925 /nfs/dbraw/zinc/55/79/25/568557925.db2.gz AEELIKJEKDFSRJ-UHFFFAOYSA-N 0 0 405.563 5.911 40 0 HKABRN CC(C)c1ccccc1OCCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000223747417 568558001 /nfs/dbraw/zinc/55/80/01/568558001.db2.gz PXOSRVJURFSDGY-PTGBLXJZSA-N 0 0 419.952 6.199 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCCOc2ccccc2C(C)C)c2ccccc2)cc1 ZINC000223747587 568557963 /nfs/dbraw/zinc/55/79/63/568557963.db2.gz BUGJHINSDBGTMM-NCELDCMTSA-N 0 0 415.533 5.554 40 0 HKABRN CC(C)c1ccccc1OCCNC(=O)CSCc1c(Cl)cccc1Cl ZINC000223748408 568557982 /nfs/dbraw/zinc/55/79/82/568557982.db2.gz MLRKQHUEJWVSHA-UHFFFAOYSA-N 0 0 412.382 5.545 40 0 HKABRN CC(C)c1ccccc1OCCNC(=O)CSCc1ccc(Br)cc1 ZINC000223749050 568558023 /nfs/dbraw/zinc/55/80/23/568558023.db2.gz UVTHASZNNCTLDE-UHFFFAOYSA-N 0 0 422.388 5.001 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)NCCOc3ccccc3C(C)C)cc2)cc1 ZINC000223749216 568557971 /nfs/dbraw/zinc/55/79/71/568557971.db2.gz KXSIZKVFGXOGSS-UHFFFAOYSA-N 0 0 419.590 6.220 40 0 HKABRN CC(C)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223749481 568557984 /nfs/dbraw/zinc/55/79/84/568557984.db2.gz PWBRZXZYBVXKSL-NRFANRHFSA-N 0 0 420.597 5.219 40 0 HKABRN CC(C)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223749540 568557988 /nfs/dbraw/zinc/55/79/88/568557988.db2.gz PWBRZXZYBVXKSL-OAQYLSRUSA-N 0 0 420.597 5.219 40 0 HKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1 ZINC000223751510 568558107 /nfs/dbraw/zinc/55/81/07/568558107.db2.gz RAHMTXNAMIHSDV-GOTSBHOMSA-N 0 0 418.566 5.021 40 0 HKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1 ZINC000223751561 568558126 /nfs/dbraw/zinc/55/81/26/568558126.db2.gz RAHMTXNAMIHSDV-PKTZIBPZSA-N 0 0 418.566 5.021 40 0 HKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)cc1 ZINC000223751617 568558076 /nfs/dbraw/zinc/55/80/76/568558076.db2.gz RAHMTXNAMIHSDV-XZOQPEGZSA-N 0 0 418.566 5.021 40 0 HKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)cc1 ZINC000223751671 568558137 /nfs/dbraw/zinc/55/81/37/568558137.db2.gz RAHMTXNAMIHSDV-DHIUTWEWSA-N 0 0 418.566 5.021 40 0 HKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 ZINC000223754646 568558093 /nfs/dbraw/zinc/55/80/93/568558093.db2.gz ZWZBAPIFSHSGKT-GOTSBHOMSA-N 0 0 418.566 5.184 40 0 HKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 ZINC000223754701 568558049 /nfs/dbraw/zinc/55/80/49/568558049.db2.gz ZWZBAPIFSHSGKT-PKTZIBPZSA-N 0 0 418.566 5.184 40 0 HKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 ZINC000223754733 568558131 /nfs/dbraw/zinc/55/81/31/568558131.db2.gz ZWZBAPIFSHSGKT-XZOQPEGZSA-N 0 0 418.566 5.184 40 0 HKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 ZINC000223754782 568558059 /nfs/dbraw/zinc/55/80/59/568558059.db2.gz ZWZBAPIFSHSGKT-DHIUTWEWSA-N 0 0 418.566 5.184 40 0 HKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 ZINC000223755832 568558229 /nfs/dbraw/zinc/55/82/29/568558229.db2.gz QTWSDECGFALUTM-GOTSBHOMSA-N 0 0 420.582 5.267 40 0 HKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 ZINC000223755893 568558256 /nfs/dbraw/zinc/55/82/56/568558256.db2.gz QTWSDECGFALUTM-PKTZIBPZSA-N 0 0 420.582 5.267 40 0 HKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 ZINC000223755933 568558223 /nfs/dbraw/zinc/55/82/23/568558223.db2.gz QTWSDECGFALUTM-XZOQPEGZSA-N 0 0 420.582 5.267 40 0 HKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 ZINC000223755976 568558236 /nfs/dbraw/zinc/55/82/36/568558236.db2.gz QTWSDECGFALUTM-DHIUTWEWSA-N 0 0 420.582 5.267 40 0 HKABRN COc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1C(C)C ZINC000223762526 568558404 /nfs/dbraw/zinc/55/84/04/568558404.db2.gz PKBVSYGJHKNJHR-VWLOTQADSA-N 0 0 423.578 5.503 40 0 HKABRN COc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1C(C)C ZINC000223762582 568558392 /nfs/dbraw/zinc/55/83/92/568558392.db2.gz PKBVSYGJHKNJHR-RUZDIDTESA-N 0 0 423.578 5.503 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000223764225 568558390 /nfs/dbraw/zinc/55/83/90/568558390.db2.gz GCQLEUMUGXSCQD-WOJBJXKFSA-N 0 0 401.934 5.696 40 0 HKABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000223764281 568558449 /nfs/dbraw/zinc/55/84/49/568558449.db2.gz GCQLEUMUGXSCQD-UXHICEINSA-N 0 0 401.934 5.696 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 ZINC000223764340 568558442 /nfs/dbraw/zinc/55/84/42/568558442.db2.gz GCQLEUMUGXSCQD-VQTJNVASSA-N 0 0 401.934 5.696 40 0 HKABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 ZINC000223764394 568558394 /nfs/dbraw/zinc/55/83/94/568558394.db2.gz GCQLEUMUGXSCQD-PMACEKPBSA-N 0 0 401.934 5.696 40 0 HKABRN O=C(Nc1nnc(SCc2ccccc2)s1)/C(=C/c1ccco1)c1ccccc1 ZINC000223765819 568558494 /nfs/dbraw/zinc/55/84/94/568558494.db2.gz QJEXDCGLFIWFCZ-XMHGGMMESA-N 0 0 419.531 5.603 40 0 HKABRN CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)ccc1Cl ZINC000223771720 568558685 /nfs/dbraw/zinc/55/86/85/568558685.db2.gz IXLLMUIYKSHSCM-OAHLLOKOSA-N 0 0 403.906 5.355 40 0 HKABRN CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)ccc1Cl ZINC000223771774 568558616 /nfs/dbraw/zinc/55/86/16/568558616.db2.gz IXLLMUIYKSHSCM-HNNXBMFYSA-N 0 0 403.906 5.355 40 0 HKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223773118 568558617 /nfs/dbraw/zinc/55/86/17/568558617.db2.gz SAUUZJZKRBCAHQ-OAHLLOKOSA-N 0 0 419.959 5.280 40 0 HKABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223773171 568558597 /nfs/dbraw/zinc/55/85/97/568558597.db2.gz SAUUZJZKRBCAHQ-HNNXBMFYSA-N 0 0 419.959 5.280 40 0 HKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000223779487 568558841 /nfs/dbraw/zinc/55/88/41/568558841.db2.gz IKBRSRRYNJNNGX-GOTSBHOMSA-N 0 0 418.566 5.184 40 0 HKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000223779535 568558887 /nfs/dbraw/zinc/55/88/87/568558887.db2.gz IKBRSRRYNJNNGX-PKTZIBPZSA-N 0 0 418.566 5.184 40 0 HKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000223779571 568558837 /nfs/dbraw/zinc/55/88/37/568558837.db2.gz IKBRSRRYNJNNGX-XZOQPEGZSA-N 0 0 418.566 5.184 40 0 HKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000223779624 568558858 /nfs/dbraw/zinc/55/88/58/568558858.db2.gz IKBRSRRYNJNNGX-DHIUTWEWSA-N 0 0 418.566 5.184 40 0 HKABRN CC(C)c1ccccc1OCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000223782537 568558998 /nfs/dbraw/zinc/55/89/98/568558998.db2.gz ZHPUUGMNHMZISH-UHFFFAOYSA-N 0 0 423.940 5.851 40 0 HKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 ZINC000223784832 568558964 /nfs/dbraw/zinc/55/89/64/568558964.db2.gz YXGYGPANIJRTAS-OALUTQOASA-N 0 0 415.971 5.372 40 0 HKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 ZINC000223784885 568559035 /nfs/dbraw/zinc/55/90/35/568559035.db2.gz YXGYGPANIJRTAS-MOPGFXCFSA-N 0 0 415.971 5.372 40 0 HKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 ZINC000223784928 568559028 /nfs/dbraw/zinc/55/90/28/568559028.db2.gz YXGYGPANIJRTAS-RBUKOAKNSA-N 0 0 415.971 5.372 40 0 HKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 ZINC000223784977 568559026 /nfs/dbraw/zinc/55/90/26/568559026.db2.gz YXGYGPANIJRTAS-RTBURBONSA-N 0 0 415.971 5.372 40 0 HKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 ZINC000223787426 568559173 /nfs/dbraw/zinc/55/91/73/568559173.db2.gz KSQRRJINMAQLOQ-VXKWHMMOSA-N 0 0 406.555 5.040 40 0 HKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 ZINC000223787478 568559106 /nfs/dbraw/zinc/55/91/06/568559106.db2.gz KSQRRJINMAQLOQ-YADHBBJMSA-N 0 0 406.555 5.040 40 0 HKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 ZINC000223787532 568559045 /nfs/dbraw/zinc/55/90/45/568559045.db2.gz KSQRRJINMAQLOQ-FCHUYYIVSA-N 0 0 406.555 5.040 40 0 HKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 ZINC000223787566 568559051 /nfs/dbraw/zinc/55/90/51/568559051.db2.gz KSQRRJINMAQLOQ-FGZHOGPDSA-N 0 0 406.555 5.040 40 0 HKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)Cc2cccc(Cl)c2)cc1 ZINC000223787815 568559153 /nfs/dbraw/zinc/55/91/53/568559153.db2.gz CGJMIXIZPDUUQW-UHFFFAOYSA-N 0 0 402.277 5.976 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(Br)c(Cl)c1 ZINC000223790621 568559278 /nfs/dbraw/zinc/55/92/78/568559278.db2.gz NKHKSPIZDPQSIP-UHFFFAOYSA-N 0 0 423.134 5.767 40 0 HKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1 ZINC000223792676 568559181 /nfs/dbraw/zinc/55/91/81/568559181.db2.gz KGQQSSCYOWBXDT-VXKWHMMOSA-N 0 0 420.582 5.214 40 0 HKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1 ZINC000223792718 568559368 /nfs/dbraw/zinc/55/93/68/568559368.db2.gz KGQQSSCYOWBXDT-YADHBBJMSA-N 0 0 420.582 5.214 40 0 HKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 ZINC000223792755 568559336 /nfs/dbraw/zinc/55/93/36/568559336.db2.gz KGQQSSCYOWBXDT-FCHUYYIVSA-N 0 0 420.582 5.214 40 0 HKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 ZINC000223792796 568559320 /nfs/dbraw/zinc/55/93/20/568559320.db2.gz KGQQSSCYOWBXDT-FGZHOGPDSA-N 0 0 420.582 5.214 40 0 HKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CC)c2C)cc1 ZINC000223793453 568559334 /nfs/dbraw/zinc/55/93/34/568559334.db2.gz MCLCLLHASUDQDO-GOTSBHOMSA-N 0 0 420.582 5.096 40 0 HKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CC)c2C)cc1 ZINC000223793498 568559359 /nfs/dbraw/zinc/55/93/59/568559359.db2.gz MCLCLLHASUDQDO-PKTZIBPZSA-N 0 0 420.582 5.096 40 0 HKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CC)c2C)cc1 ZINC000223793532 568559394 /nfs/dbraw/zinc/55/93/94/568559394.db2.gz MCLCLLHASUDQDO-XZOQPEGZSA-N 0 0 420.582 5.096 40 0 HKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CC)c2C)cc1 ZINC000223793579 568559366 /nfs/dbraw/zinc/55/93/66/568559366.db2.gz MCLCLLHASUDQDO-DHIUTWEWSA-N 0 0 420.582 5.096 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2cccc(OC)c2)cc1C ZINC000223793865 568559405 /nfs/dbraw/zinc/55/94/05/568559405.db2.gz KUVVXDNNSVTBEJ-UHFFFAOYSA-N 0 0 411.885 6.100 40 0 HKABRN O[C@@H]([C@@H](Sc1ccccc1)c1ccc(Sc2ccccc2)cc1)N1CCOCC1 ZINC000223813169 568559737 /nfs/dbraw/zinc/55/97/37/568559737.db2.gz KMKCVRICODKOIS-ZEQRLZLVSA-N 0 0 423.603 5.322 40 0 HKABRN O[C@@H]([C@H](Sc1ccccc1)c1ccc(Sc2ccccc2)cc1)N1CCOCC1 ZINC000223813177 568559723 /nfs/dbraw/zinc/55/97/23/568559723.db2.gz KMKCVRICODKOIS-RPWUZVMVSA-N 0 0 423.603 5.322 40 0 HKABRN O[C@H]([C@@H](Sc1ccccc1)c1ccc(Sc2ccccc2)cc1)N1CCOCC1 ZINC000223813190 568559720 /nfs/dbraw/zinc/55/97/20/568559720.db2.gz KMKCVRICODKOIS-BJKOFHAPSA-N 0 0 423.603 5.322 40 0 HKABRN O[C@H]([C@H](Sc1ccccc1)c1ccc(Sc2ccccc2)cc1)N1CCOCC1 ZINC000223813202 568559745 /nfs/dbraw/zinc/55/97/45/568559745.db2.gz KMKCVRICODKOIS-DNQXCXABSA-N 0 0 423.603 5.322 40 0 HKABRN CC(C)(C)c1ccc(-c2noc(CNC(=O)C3(c4ccccc4)CCCC3)n2)cc1 ZINC000223821988 568559832 /nfs/dbraw/zinc/55/98/32/568559832.db2.gz JZUJQLXEAGXHOH-UHFFFAOYSA-N 0 0 403.526 5.162 40 0 HKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 ZINC000223825336 568559966 /nfs/dbraw/zinc/55/99/66/568559966.db2.gz JUUMEORCEZGELE-VXKWHMMOSA-N 0 0 406.555 5.040 40 0 HKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 ZINC000223825391 568559941 /nfs/dbraw/zinc/55/99/41/568559941.db2.gz JUUMEORCEZGELE-YADHBBJMSA-N 0 0 406.555 5.040 40 0 HKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1 ZINC000223825448 568560009 /nfs/dbraw/zinc/56/00/09/568560009.db2.gz JUUMEORCEZGELE-FCHUYYIVSA-N 0 0 406.555 5.040 40 0 HKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1 ZINC000223825511 568559952 /nfs/dbraw/zinc/55/99/52/568559952.db2.gz JUUMEORCEZGELE-FGZHOGPDSA-N 0 0 406.555 5.040 40 0 HKABRN CC(C)c1ccccc1OCCNC(=O)CSCc1ccc(Cl)cc1Cl ZINC000223827455 568560104 /nfs/dbraw/zinc/56/01/04/568560104.db2.gz OFTVGUHRVPSYCH-UHFFFAOYSA-N 0 0 412.382 5.545 40 0 HKABRN CC(C)c1ccccc1OCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000223827541 568560079 /nfs/dbraw/zinc/56/00/79/568560079.db2.gz FTYPSCOJGPGTPV-UHFFFAOYSA-N 0 0 412.382 5.545 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000223834813 568560339 /nfs/dbraw/zinc/56/03/39/568560339.db2.gz JEYVSRRUTFFSJM-ZDUSSCGKSA-N 0 0 410.739 5.940 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000223834870 568560349 /nfs/dbraw/zinc/56/03/49/568560349.db2.gz JEYVSRRUTFFSJM-CYBMUJFWSA-N 0 0 410.739 5.940 40 0 HKABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1ccccc1Cl ZINC000223835627 568560310 /nfs/dbraw/zinc/56/03/10/568560310.db2.gz WXJLCMINBMSAPV-MRXNPFEDSA-N 0 0 403.975 5.036 40 0 HKABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1ccccc1Cl ZINC000223835675 568560336 /nfs/dbraw/zinc/56/03/36/568560336.db2.gz WXJLCMINBMSAPV-INIZCTEOSA-N 0 0 403.975 5.036 40 0 HKABRN COc1ccc(-c2nnsc2C(=O)OC2CCCCCCCCCCC2)cc1 ZINC000223836493 568560482 /nfs/dbraw/zinc/56/04/82/568560482.db2.gz QMJYIJNUJDAROW-UHFFFAOYSA-N 0 0 402.560 6.044 40 0 HKABRN Cc1cc(C)c(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c(C)c1 ZINC000223849993 568560844 /nfs/dbraw/zinc/56/08/44/568560844.db2.gz GYJZNCQZOVFKAG-STZFKDTASA-N 0 0 404.535 5.391 40 0 HKABRN CCc1cccc(CC)c1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C ZINC000223851408 568560793 /nfs/dbraw/zinc/56/07/93/568560793.db2.gz QSKNRZWEXSMZLA-JWGURIENSA-N 0 0 402.494 5.122 40 0 HKABRN CCCSc1nnc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)s1 ZINC000223854373 568560957 /nfs/dbraw/zinc/56/09/57/568560957.db2.gz BNOPCQQMDZYRPF-DTQAZKPQSA-N 0 0 415.971 5.873 40 0 HKABRN CSc1ncc(-c2nnsc2C(=O)OC2CCCCCCCCCCC2)cn1 ZINC000223854528 568560944 /nfs/dbraw/zinc/56/09/44/568560944.db2.gz UGCSATVMNLUJCW-UHFFFAOYSA-N 0 0 420.604 5.547 40 0 HKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 ZINC000223866362 568561356 /nfs/dbraw/zinc/56/13/56/568561356.db2.gz VCEFGKIJRXRLIQ-GOTSBHOMSA-N 0 0 418.566 5.271 40 0 HKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 ZINC000223866412 568561303 /nfs/dbraw/zinc/56/13/03/568561303.db2.gz VCEFGKIJRXRLIQ-PKTZIBPZSA-N 0 0 418.566 5.271 40 0 HKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 ZINC000223866462 568561320 /nfs/dbraw/zinc/56/13/20/568561320.db2.gz VCEFGKIJRXRLIQ-XZOQPEGZSA-N 0 0 418.566 5.271 40 0 HKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 ZINC000223866515 568561333 /nfs/dbraw/zinc/56/13/33/568561333.db2.gz VCEFGKIJRXRLIQ-DHIUTWEWSA-N 0 0 418.566 5.271 40 0 HKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000223872057 568561512 /nfs/dbraw/zinc/56/15/12/568561512.db2.gz IZGJTVRBMALNHQ-GOTSBHOMSA-N 0 0 413.502 5.224 40 0 HKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000223872109 568561533 /nfs/dbraw/zinc/56/15/33/568561533.db2.gz IZGJTVRBMALNHQ-PKTZIBPZSA-N 0 0 413.502 5.224 40 0 HKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000223872160 568561517 /nfs/dbraw/zinc/56/15/17/568561517.db2.gz IZGJTVRBMALNHQ-XZOQPEGZSA-N 0 0 413.502 5.224 40 0 HKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000223872206 568561521 /nfs/dbraw/zinc/56/15/21/568561521.db2.gz IZGJTVRBMALNHQ-DHIUTWEWSA-N 0 0 413.502 5.224 40 0 HKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000223877953 568561711 /nfs/dbraw/zinc/56/17/11/568561711.db2.gz UQFLNRHRHLUSLB-GOTSBHOMSA-N 0 0 418.566 5.271 40 0 HKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000223878011 568561709 /nfs/dbraw/zinc/56/17/09/568561709.db2.gz UQFLNRHRHLUSLB-PKTZIBPZSA-N 0 0 418.566 5.271 40 0 HKABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000223878065 568561764 /nfs/dbraw/zinc/56/17/64/568561764.db2.gz UQFLNRHRHLUSLB-XZOQPEGZSA-N 0 0 418.566 5.271 40 0 HKABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000223878120 568561707 /nfs/dbraw/zinc/56/17/07/568561707.db2.gz UQFLNRHRHLUSLB-DHIUTWEWSA-N 0 0 418.566 5.271 40 0 HKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 ZINC000223883267 568561789 /nfs/dbraw/zinc/56/17/89/568561789.db2.gz YJKYTCGVPQZNGW-OALUTQOASA-N 0 0 414.987 5.040 40 0 HKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 ZINC000223883320 568561778 /nfs/dbraw/zinc/56/17/78/568561778.db2.gz YJKYTCGVPQZNGW-MOPGFXCFSA-N 0 0 414.987 5.040 40 0 HKABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 ZINC000223883380 568561834 /nfs/dbraw/zinc/56/18/34/568561834.db2.gz YJKYTCGVPQZNGW-RBUKOAKNSA-N 0 0 414.987 5.040 40 0 HKABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 ZINC000223883437 568561876 /nfs/dbraw/zinc/56/18/76/568561876.db2.gz YJKYTCGVPQZNGW-RTBURBONSA-N 0 0 414.987 5.040 40 0 HKABRN CC(C)(C)c1ccccc1OCC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223891646 568562126 /nfs/dbraw/zinc/56/21/26/568562126.db2.gz ZNJPXGUEFRYKRD-UHFFFAOYSA-N 0 0 413.568 5.145 40 0 HKABRN Cc1cccc(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1C ZINC000223900518 568562502 /nfs/dbraw/zinc/56/25/02/568562502.db2.gz JSNOCGAWIKMZBN-OQKWZONESA-N 0 0 405.925 5.693 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCCOc2cccc(C)c2C)c2ccccc2)cc1 ZINC000223900655 568562528 /nfs/dbraw/zinc/56/25/28/568562528.db2.gz DGWKHMTVJXSGKL-HKOYGPOVSA-N 0 0 401.506 5.048 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)NCCOc3cccc(C)c3C)cc2)cc1 ZINC000223902404 568562440 /nfs/dbraw/zinc/56/24/40/568562440.db2.gz JRRBNMHOTOBNQS-UHFFFAOYSA-N 0 0 405.563 5.713 40 0 HKABRN S=C(NCc1ccc(-c2ccccc2)o1)Nc1ncc(Cl)cc1Br ZINC000223908311 568562555 /nfs/dbraw/zinc/56/25/55/568562555.db2.gz YWCHEHRYRXAPHV-UHFFFAOYSA-N 0 0 422.735 5.244 40 0 HKABRN S=C(NCc1ccc(-c2ccccc2)o1)Nc1ncc(Br)cc1Cl ZINC000223908367 568562633 /nfs/dbraw/zinc/56/26/33/568562633.db2.gz DZNYOVFDQBHWQR-UHFFFAOYSA-N 0 0 422.735 5.244 40 0 HKABRN CC1CCN(c2ccc(NC(=S)NCc3ccc(-c4ccccc4)o3)cn2)CC1 ZINC000223910907 568562638 /nfs/dbraw/zinc/56/26/38/568562638.db2.gz OLWRVFGOHVINBY-UHFFFAOYSA-N 0 0 406.555 5.065 40 0 HKABRN C[C@@H]1CCCN(c2ccc(NC(=S)NCc3ccc(-c4ccccc4)o3)cn2)C1 ZINC000223910994 568562653 /nfs/dbraw/zinc/56/26/53/568562653.db2.gz IDPDJYNFDKJENQ-QGZVFWFLSA-N 0 0 406.555 5.065 40 0 HKABRN C[C@H]1CCCN(c2ccc(NC(=S)NCc3ccc(-c4ccccc4)o3)cn2)C1 ZINC000223911054 568562639 /nfs/dbraw/zinc/56/26/39/568562639.db2.gz IDPDJYNFDKJENQ-KRWDZBQOSA-N 0 0 406.555 5.065 40 0 HKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NCc2ccc(-c3ccccc3)o2)cn1 ZINC000223911134 568562690 /nfs/dbraw/zinc/56/26/90/568562690.db2.gz ULAIRQGQYVENAM-QGZVFWFLSA-N 0 0 406.555 5.207 40 0 HKABRN C[C@H]1CCCCN1c1ccc(NC(=S)NCc2ccc(-c3ccccc3)o2)cn1 ZINC000223911191 568562668 /nfs/dbraw/zinc/56/26/68/568562668.db2.gz ULAIRQGQYVENAM-KRWDZBQOSA-N 0 0 406.555 5.207 40 0 HKABRN C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCc3ccc(-c4ccccc4)o3)cn2)C1 ZINC000223911266 568562666 /nfs/dbraw/zinc/56/26/66/568562666.db2.gz VTDVHSFIGHIGBQ-QZTJIDSGSA-N 0 0 420.582 5.311 40 0 HKABRN C[C@@H]1C[C@H](C)CN(c2ccc(NC(=S)NCc3ccc(-c4ccccc4)o3)cn2)C1 ZINC000223911315 568562756 /nfs/dbraw/zinc/56/27/56/568562756.db2.gz VTDVHSFIGHIGBQ-HDICACEKSA-N 0 0 420.582 5.311 40 0 HKABRN C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NCc3ccc(-c4ccccc4)o3)cn2)C1 ZINC000223911371 568562783 /nfs/dbraw/zinc/56/27/83/568562783.db2.gz VTDVHSFIGHIGBQ-ROUUACIJSA-N 0 0 420.582 5.311 40 0 HKABRN S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(N2CCCCCC2)nc1 ZINC000223911857 568562781 /nfs/dbraw/zinc/56/27/81/568562781.db2.gz GBEFEEFDDRXWTN-UHFFFAOYSA-N 0 0 406.555 5.209 40 0 HKABRN S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(Sc2ccccc2)nc1 ZINC000223911942 568562787 /nfs/dbraw/zinc/56/27/87/568562787.db2.gz OBKSAGXADCCIGG-UHFFFAOYSA-N 0 0 417.559 5.979 40 0 HKABRN S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(Oc2ccccc2)nc1 ZINC000223912181 568562746 /nfs/dbraw/zinc/56/27/46/568562746.db2.gz GJBXOUCXOPSQOR-UHFFFAOYSA-N 0 0 401.491 5.621 40 0 HKABRN Cc1ccccc1Nc1ccc(NC(=S)NCc2ccc(-c3ccccc3)o2)cn1 ZINC000223912343 568562817 /nfs/dbraw/zinc/56/28/17/568562817.db2.gz AGZHAKDIGKKVLZ-UHFFFAOYSA-N 0 0 414.534 5.880 40 0 HKABRN Cc1cccc(Nc2ccc(NC(=S)NCc3ccc(-c4ccccc4)o3)cn2)c1 ZINC000223912419 568562801 /nfs/dbraw/zinc/56/28/01/568562801.db2.gz AFVPDNSYSWXEMP-UHFFFAOYSA-N 0 0 414.534 5.880 40 0 HKABRN Cc1ccc(Nc2ccc(NC(=S)NCc3ccc(-c4ccccc4)o3)cn2)cc1 ZINC000223912499 568562771 /nfs/dbraw/zinc/56/27/71/568562771.db2.gz BLXRXHBOUHOTKK-UHFFFAOYSA-N 0 0 414.534 5.880 40 0 HKABRN S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ncc(Cl)cc1Cl ZINC000223912745 568562755 /nfs/dbraw/zinc/56/27/55/568562755.db2.gz FTCUTHJOAXBDOP-UHFFFAOYSA-N 0 0 412.729 5.788 40 0 HKABRN CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)c1ccc(Cl)cc1F ZINC000223912801 568562808 /nfs/dbraw/zinc/56/28/08/568562808.db2.gz NSUAVLXBXUMQBY-UHFFFAOYSA-N 0 0 401.869 5.099 40 0 HKABRN S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(Br)cn1 ZINC000223913063 568562764 /nfs/dbraw/zinc/56/27/64/568562764.db2.gz KZHJBBOGRBLPGG-UHFFFAOYSA-N 0 0 422.735 5.244 40 0 HKABRN S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ncc(Cl)nc1Cl ZINC000223915573 568562752 /nfs/dbraw/zinc/56/27/52/568562752.db2.gz JKNJNCBBUUPQGU-UHFFFAOYSA-N 0 0 413.717 5.183 40 0 HKABRN S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCCC2)nc1 ZINC000223915739 568562884 /nfs/dbraw/zinc/56/28/84/568562884.db2.gz WRTNFKIOOMQEPU-UHFFFAOYSA-N 0 0 412.946 5.082 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223916814 568562890 /nfs/dbraw/zinc/56/28/90/568562890.db2.gz JTKVXPLKMMVION-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223916917 568562886 /nfs/dbraw/zinc/56/28/86/568562886.db2.gz AAFSFLQKUGFAOC-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN Cc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223921632 568562997 /nfs/dbraw/zinc/56/29/97/568562997.db2.gz VVLBISRSUOWYLB-UHFFFAOYSA-N 0 0 408.523 5.172 40 0 HKABRN CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000223921940 568563080 /nfs/dbraw/zinc/56/30/80/568563080.db2.gz URKBOMAWRGMIAR-UHFFFAOYSA-N 0 0 408.523 5.082 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223922162 568562993 /nfs/dbraw/zinc/56/29/93/568562993.db2.gz VOKGSMBZQXNVJP-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN COc1ccc(CCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1C ZINC000223924274 568563129 /nfs/dbraw/zinc/56/31/29/568563129.db2.gz IJJSPIATVZABBC-UHFFFAOYSA-N 0 0 412.382 5.293 40 0 HKABRN CC(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 ZINC000223925324 568563156 /nfs/dbraw/zinc/56/31/56/568563156.db2.gz JDRMLBJSHTVPET-HSZRJFAPSA-N 0 0 422.550 5.005 40 0 HKABRN CC(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 ZINC000223925379 568563160 /nfs/dbraw/zinc/56/31/60/568563160.db2.gz JDRMLBJSHTVPET-QHCPKHFHSA-N 0 0 422.550 5.005 40 0 HKABRN COc1ccc(CNC(=S)Nc2ccc(Sc3ccc(Cl)cc3)nc2)cc1 ZINC000223927518 568563172 /nfs/dbraw/zinc/56/31/72/568563172.db2.gz LUJOJGBBRHIKQT-UHFFFAOYSA-N 0 0 415.971 5.381 40 0 HKABRN COc1ccc(CNC(=S)Nc2ccc(Nc3ccc4ccccc4c3)nc2)cc1 ZINC000223928035 568563236 /nfs/dbraw/zinc/56/32/36/568563236.db2.gz OCYOAACOKXCCLB-UHFFFAOYSA-N 0 0 414.534 5.474 40 0 HKABRN S=C(NCc1ccc(Cl)cc1)Nc1ccc(N2CCCc3ccccc32)nc1 ZINC000223930985 568563364 /nfs/dbraw/zinc/56/33/64/568563364.db2.gz SCJJPHUQUZMFMR-UHFFFAOYSA-N 0 0 408.958 5.306 40 0 HKABRN S=C(NCc1ccc(Cl)cc1)Nc1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000223931199 568563367 /nfs/dbraw/zinc/56/33/67/568563367.db2.gz WSIIOKCGYZAAQY-UHFFFAOYSA-N 0 0 420.390 6.026 40 0 HKABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)Nc1ccccc1OC(C)C ZINC000223931553 568563391 /nfs/dbraw/zinc/56/33/91/568563391.db2.gz XCORGXTZIXERJJ-QNGOZBTKSA-N 0 0 420.534 5.253 40 0 HKABRN S=C(NCc1ccc(Cl)cc1)Nc1ccc(Nc2ccc3ccccc3c2)nc1 ZINC000223931721 568563455 /nfs/dbraw/zinc/56/34/55/568563455.db2.gz MLCGSIYRGOHTOL-UHFFFAOYSA-N 0 0 418.953 6.118 40 0 HKABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000223932890 568563470 /nfs/dbraw/zinc/56/34/70/568563470.db2.gz BAZQOVNGUBPEKR-UHFFFAOYSA-N 0 0 408.523 5.172 40 0 HKABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc3ccccc32)c1 ZINC000223933200 568563440 /nfs/dbraw/zinc/56/34/40/568563440.db2.gz DOSGHZADMJPBBV-UHFFFAOYSA-N 0 0 416.502 5.201 40 0 HKABRN O=C(NCCSCc1ccc(Cl)cc1Cl)C1(c2ccccc2)CCOCC1 ZINC000223933205 568563429 /nfs/dbraw/zinc/56/34/29/568563429.db2.gz JSGVLPSLFADPNI-UHFFFAOYSA-N 0 0 424.393 5.091 40 0 HKABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)Nc1ccccc1C(C)C ZINC000223935451 568563500 /nfs/dbraw/zinc/56/35/00/568563500.db2.gz VEKJYJOKDWTIAF-JCMHNJIXSA-N 0 0 404.535 5.590 40 0 HKABRN S=C(NCc1ccccc1Cl)Nc1ccc(N2CCCc3ccccc32)nc1 ZINC000223935636 568563541 /nfs/dbraw/zinc/56/35/41/568563541.db2.gz OMZHUZHDIRFXQW-UHFFFAOYSA-N 0 0 408.958 5.306 40 0 HKABRN S=C(NCc1ccccc1Cl)Nc1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000223935917 568563591 /nfs/dbraw/zinc/56/35/91/568563591.db2.gz DLQBGMUWLAJLOV-UHFFFAOYSA-N 0 0 420.390 6.026 40 0 HKABRN S=C(NCc1ccccc1Cl)Nc1ccc(Nc2ccc3ccccc3c2)nc1 ZINC000223936467 568563543 /nfs/dbraw/zinc/56/35/43/568563543.db2.gz JJVQKQVBUJEJRS-UHFFFAOYSA-N 0 0 418.953 6.118 40 0 HKABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2C)c1 ZINC000223936616 568563581 /nfs/dbraw/zinc/56/35/81/568563581.db2.gz VIMJIDLYELYOOK-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000223936696 568563606 /nfs/dbraw/zinc/56/36/06/568563606.db2.gz JOQYZLDJIPPLML-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2C)c1 ZINC000223936774 568563560 /nfs/dbraw/zinc/56/35/60/568563560.db2.gz CAOXYNVTTTVBLF-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)cc1Cl ZINC000223936848 568563528 /nfs/dbraw/zinc/56/35/28/568563528.db2.gz SIHPBRMDHIMIAP-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CCc3ccccc3F)c2)cc1 ZINC000223936992 568563589 /nfs/dbraw/zinc/56/35/89/568563589.db2.gz GVRMXZOVMHLKIA-UHFFFAOYSA-N 0 0 403.497 5.926 40 0 HKABRN Cc1cccc(OCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1C ZINC000223937486 568563547 /nfs/dbraw/zinc/56/35/47/568563547.db2.gz OUQWWXOBZSDWQA-UHFFFAOYSA-N 0 0 409.913 5.345 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 ZINC000223938327 568563624 /nfs/dbraw/zinc/56/36/24/568563624.db2.gz UHCXAFDDOSZTJC-UHFFFAOYSA-N 0 0 422.550 5.173 40 0 HKABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1 ZINC000223938478 568563746 /nfs/dbraw/zinc/56/37/46/568563746.db2.gz YXMSKHBXNMUAJR-UHFFFAOYSA-N 0 0 408.523 5.172 40 0 HKABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000223939583 568563673 /nfs/dbraw/zinc/56/36/73/568563673.db2.gz SIRJLFYNLZSASO-UHFFFAOYSA-N 0 0 422.550 5.480 40 0 HKABRN CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)cc1 ZINC000223939882 568563680 /nfs/dbraw/zinc/56/36/80/568563680.db2.gz FKXDWKLMZIWOKM-UHFFFAOYSA-N 0 0 422.550 5.391 40 0 HKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC(C)(C)CC(C)(C)C)ccc1C ZINC000223940162 568563742 /nfs/dbraw/zinc/56/37/42/568563742.db2.gz YZCZOQZVMCGXNR-UHFFFAOYSA-N 0 0 416.587 5.049 40 0 HKABRN CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000223940353 568563636 /nfs/dbraw/zinc/56/36/36/568563636.db2.gz VJMWMGBGOZMUNI-LJQANCHMSA-N 0 0 416.587 5.050 40 0 HKABRN CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000223940398 568563697 /nfs/dbraw/zinc/56/36/97/568563697.db2.gz VJMWMGBGOZMUNI-IBGZPJMESA-N 0 0 416.587 5.050 40 0 HKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2C)c1 ZINC000223941964 568563856 /nfs/dbraw/zinc/56/38/56/568563856.db2.gz HLRMLEGTXAOEQL-UHFFFAOYSA-N 0 0 416.587 5.049 40 0 HKABRN CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000223942128 568563862 /nfs/dbraw/zinc/56/38/62/568563862.db2.gz VULFQHILKSNYLN-LJQANCHMSA-N 0 0 416.587 5.050 40 0 HKABRN CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000223942181 568563751 /nfs/dbraw/zinc/56/37/51/568563751.db2.gz VULFQHILKSNYLN-IBGZPJMESA-N 0 0 416.587 5.050 40 0 HKABRN Cc1cccc(OCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)c1C ZINC000223942667 568563808 /nfs/dbraw/zinc/56/38/08/568563808.db2.gz PVJRDCFXGKSATN-UHFFFAOYSA-N 0 0 421.562 5.283 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2C)cc1 ZINC000223943576 568563783 /nfs/dbraw/zinc/56/37/83/568563783.db2.gz FDYUQCCDGYTXPK-UHFFFAOYSA-N 0 0 416.587 5.049 40 0 HKABRN CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000223943797 568564034 /nfs/dbraw/zinc/56/40/34/568564034.db2.gz XEEAQADFAIZBEV-LJQANCHMSA-N 0 0 416.587 5.050 40 0 HKABRN CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000223943858 568564039 /nfs/dbraw/zinc/56/40/39/568564039.db2.gz XEEAQADFAIZBEV-IBGZPJMESA-N 0 0 416.587 5.050 40 0 HKABRN CCc1ccc(CC)c(CNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000223945920 568564067 /nfs/dbraw/zinc/56/40/67/568564067.db2.gz XQJXOVRDEWFSQZ-UHFFFAOYSA-N 0 0 416.968 5.132 40 0 HKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)c1 ZINC000223946569 568563961 /nfs/dbraw/zinc/56/39/61/568563961.db2.gz DWKQQRMZVDNWIY-UHFFFAOYSA-N 0 0 408.523 5.172 40 0 HKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc4ccccc43)c2)c1 ZINC000223946731 568563987 /nfs/dbraw/zinc/56/39/87/568563987.db2.gz KSTYEMWHHMUWKO-UHFFFAOYSA-N 0 0 416.502 5.201 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000223947166 568563981 /nfs/dbraw/zinc/56/39/81/568563981.db2.gz AZQNTEBJLAUZBH-HHHXNRCGSA-N 0 0 413.561 5.952 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000223947219 568563999 /nfs/dbraw/zinc/56/39/99/568563999.db2.gz AZQNTEBJLAUZBH-MHZLTWQESA-N 0 0 413.561 5.952 40 0 HKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2)c1 ZINC000223947917 568563957 /nfs/dbraw/zinc/56/39/57/568563957.db2.gz YGYQRDFMZKQGJA-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000223948472 568564125 /nfs/dbraw/zinc/56/41/25/568564125.db2.gz PFICNHDLANWVKH-UHFFFAOYSA-N 0 0 422.550 5.173 40 0 HKABRN Fc1ccc(CNC(=S)Nc2ccc(Sc3ccc(Cl)cc3)nc2)cc1 ZINC000223948474 568564170 /nfs/dbraw/zinc/56/41/70/568564170.db2.gz VBRFATQEDIYXFZ-UHFFFAOYSA-N 0 0 403.935 5.512 40 0 HKABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3c(C)cccc3C(C)C)c2)c1 ZINC000223948753 568564076 /nfs/dbraw/zinc/56/40/76/568564076.db2.gz BRCFLRTYPGCDQO-UHFFFAOYSA-N 0 0 422.550 5.480 40 0 HKABRN CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000223948909 568564193 /nfs/dbraw/zinc/56/41/93/568564193.db2.gz PCHHJVOVCNFYIM-UHFFFAOYSA-N 0 0 422.550 5.391 40 0 HKABRN Fc1ccc(CNC(=S)Nc2ccc(Nc3ccc4ccccc4c3)nc2)cc1 ZINC000223949001 568564133 /nfs/dbraw/zinc/56/41/33/568564133.db2.gz UYOSJOBTUGHSSF-UHFFFAOYSA-N 0 0 402.498 5.604 40 0 HKABRN Cc1cccc(OCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1C ZINC000223951255 568564303 /nfs/dbraw/zinc/56/43/03/568564303.db2.gz ZMIGNCAJKWQLQG-UHFFFAOYSA-N 0 0 409.913 5.345 40 0 HKABRN Cc1cccc(OCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)c1C ZINC000223951562 568564323 /nfs/dbraw/zinc/56/43/23/568564323.db2.gz DTCOETVKXJYRBE-UHFFFAOYSA-N 0 0 409.913 5.345 40 0 HKABRN Cc1ccc(CCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000223951889 568564243 /nfs/dbraw/zinc/56/42/43/568564243.db2.gz ATOQEOPRQCTTBA-UHFFFAOYSA-N 0 0 412.577 5.170 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1 ZINC000223953799 568564314 /nfs/dbraw/zinc/56/43/14/568564314.db2.gz ZLTINVUYDLDBCP-UHFFFAOYSA-N 0 0 408.523 5.172 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc4ccccc43)c2)cc1 ZINC000223953973 568564341 /nfs/dbraw/zinc/56/43/41/568564341.db2.gz SNVQPIQYXNSJDD-UHFFFAOYSA-N 0 0 416.502 5.201 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 ZINC000223955029 568564397 /nfs/dbraw/zinc/56/43/97/568564397.db2.gz PBMZOWINDSFMDJ-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000223955631 568564415 /nfs/dbraw/zinc/56/44/15/568564415.db2.gz BXSJBBVNFKJUTP-UHFFFAOYSA-N 0 0 422.550 5.173 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3c(C)cccc3C(C)C)c2)cc1 ZINC000223955795 568564383 /nfs/dbraw/zinc/56/43/83/568564383.db2.gz QQIQYACBOQOFMB-UHFFFAOYSA-N 0 0 422.550 5.480 40 0 HKABRN CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000223955963 568564401 /nfs/dbraw/zinc/56/44/01/568564401.db2.gz YFBFJRRHRGOXAS-UHFFFAOYSA-N 0 0 422.550 5.391 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2O1 ZINC000223961445 568564691 /nfs/dbraw/zinc/56/46/91/568564691.db2.gz WSGNYIBGXVMQMY-WZONZLPQSA-N 0 0 407.554 5.532 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2O1 ZINC000223961495 568564633 /nfs/dbraw/zinc/56/46/33/568564633.db2.gz WSGNYIBGXVMQMY-JPYJTQIMSA-N 0 0 407.554 5.532 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2O1 ZINC000223961543 568564661 /nfs/dbraw/zinc/56/46/61/568564661.db2.gz WSGNYIBGXVMQMY-FDDCHVKYSA-N 0 0 407.554 5.532 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2O1 ZINC000223961605 568564712 /nfs/dbraw/zinc/56/47/12/568564712.db2.gz WSGNYIBGXVMQMY-MBSDFSHPSA-N 0 0 407.554 5.532 40 0 HKABRN S=C(NCCCc1ccccc1)Nc1ccc(N2CCCc3ccccc32)nc1 ZINC000223964054 568564710 /nfs/dbraw/zinc/56/47/10/568564710.db2.gz MXKXJUYHXAINMA-UHFFFAOYSA-N 0 0 402.567 5.085 40 0 HKABRN S=C(NCCCc1ccccc1)Nc1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000223964345 568564707 /nfs/dbraw/zinc/56/47/07/568564707.db2.gz KJIBVZLYYOFVMH-UHFFFAOYSA-N 0 0 413.999 5.805 40 0 HKABRN S=C(NCCCc1ccccc1)Nc1ccc(Nc2ccc3ccccc3c2)nc1 ZINC000223964740 568564645 /nfs/dbraw/zinc/56/46/45/568564645.db2.gz ROKKULHRTDHMQS-UHFFFAOYSA-N 0 0 412.562 5.898 40 0 HKABRN CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000223964880 568564684 /nfs/dbraw/zinc/56/46/84/568564684.db2.gz RYRCIGKMJCDIIA-UHFFFAOYSA-N 0 0 412.486 5.002 40 0 HKABRN O=C(Nc1cccc2ccccc21)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000223964964 568564695 /nfs/dbraw/zinc/56/46/95/568564695.db2.gz HZITVZOATPHIIE-UHFFFAOYSA-N 0 0 420.465 5.032 40 0 HKABRN Fc1ccc(CCCNC(=S)Nc2ccc(N3CCCc4ccccc43)nc2)cc1 ZINC000223969446 568564900 /nfs/dbraw/zinc/56/49/00/568564900.db2.gz ZEACFQYTTYERSN-UHFFFAOYSA-N 0 0 420.557 5.224 40 0 HKABRN S=C(NCC1(c2ccccc2)CCCC1)Nc1ncc(Cl)cc1Br ZINC000223970510 568564946 /nfs/dbraw/zinc/56/49/46/568564946.db2.gz ACPLMAOLBMFBSW-UHFFFAOYSA-N 0 0 424.795 5.296 40 0 HKABRN S=C(NCC1(c2ccccc2)CCCC1)Nc1ncc(Br)cc1Cl ZINC000223970584 568564973 /nfs/dbraw/zinc/56/49/73/568564973.db2.gz SJHOLALLRFTLMU-UHFFFAOYSA-N 0 0 424.795 5.296 40 0 HKABRN Cc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223972831 568564906 /nfs/dbraw/zinc/56/49/06/568564906.db2.gz AFBRTNBBAOOXJY-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1C ZINC000223972900 568565067 /nfs/dbraw/zinc/56/50/67/568565067.db2.gz KMXCIVOUHAURTQ-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN O=C(Nc1ccccc1Cl)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223973079 568565093 /nfs/dbraw/zinc/56/50/93/568565093.db2.gz YSSCGWRAYLFJMX-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN CC1CCN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCC3)cn2)CC1 ZINC000223973600 568565045 /nfs/dbraw/zinc/56/50/45/568565045.db2.gz IYJUBRWMMVULBU-UHFFFAOYSA-N 0 0 408.615 5.116 40 0 HKABRN Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1C ZINC000223973676 568565051 /nfs/dbraw/zinc/56/50/51/568565051.db2.gz PSHCOZQLWASHFF-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN C[C@@H]1CCCN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCC3)cn2)C1 ZINC000223973683 568565075 /nfs/dbraw/zinc/56/50/75/568565075.db2.gz GFGYQDAJFCPEDR-LJQANCHMSA-N 0 0 408.615 5.116 40 0 HKABRN C[C@H]1CCCN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCC3)cn2)C1 ZINC000223973742 568565096 /nfs/dbraw/zinc/56/50/96/568565096.db2.gz GFGYQDAJFCPEDR-IBGZPJMESA-N 0 0 408.615 5.116 40 0 HKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccccc3)CCCC2)cn1 ZINC000223973816 568564986 /nfs/dbraw/zinc/56/49/86/568564986.db2.gz JEKMGBZGWSZTKP-LJQANCHMSA-N 0 0 408.615 5.259 40 0 HKABRN C[C@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccccc3)CCCC2)cn1 ZINC000223973873 568565095 /nfs/dbraw/zinc/56/50/95/568565095.db2.gz JEKMGBZGWSZTKP-IBGZPJMESA-N 0 0 408.615 5.259 40 0 HKABRN C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCC3)cn2)C1 ZINC000223973941 568565100 /nfs/dbraw/zinc/56/51/00/568565100.db2.gz YXYKBZUHMAJZQN-WOJBJXKFSA-N 0 0 422.642 5.362 40 0 HKABRN C[C@@H]1C[C@H](C)CN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCC3)cn2)C1 ZINC000223973991 568565099 /nfs/dbraw/zinc/56/50/99/568565099.db2.gz YXYKBZUHMAJZQN-BGYRXZFFSA-N 0 0 422.642 5.362 40 0 HKABRN C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCC3)cn2)C1 ZINC000223974061 568565071 /nfs/dbraw/zinc/56/50/71/568565071.db2.gz YXYKBZUHMAJZQN-PMACEKPBSA-N 0 0 422.642 5.362 40 0 HKABRN S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(N2CCCCCC2)nc1 ZINC000223974509 568565090 /nfs/dbraw/zinc/56/50/90/568565090.db2.gz KTTNHTFVDRWHQH-UHFFFAOYSA-N 0 0 408.615 5.260 40 0 HKABRN S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(Sc2ccccc2)nc1 ZINC000223974594 568565055 /nfs/dbraw/zinc/56/50/55/568565055.db2.gz WITCSWXRNGUWAB-UHFFFAOYSA-N 0 0 419.619 6.031 40 0 HKABRN S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(Oc2ccccc2)nc1 ZINC000223974813 568565033 /nfs/dbraw/zinc/56/50/33/568565033.db2.gz LJKPOEMGIWCZBX-UHFFFAOYSA-N 0 0 403.551 5.672 40 0 HKABRN O=S(=O)(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Br)cc1 ZINC000223974932 568565025 /nfs/dbraw/zinc/56/50/25/568565025.db2.gz OWBGKKSSZXUNIZ-UHFFFAOYSA-N 0 0 402.269 5.149 40 0 HKABRN Cc1ccccc1Nc1ccc(NC(=S)NCC2(c3ccccc3)CCCC2)cn1 ZINC000223974957 568565043 /nfs/dbraw/zinc/56/50/43/568565043.db2.gz YQOFXXHMVDHFBH-UHFFFAOYSA-N 0 0 416.594 5.932 40 0 HKABRN Cc1cccc(Nc2ccc(NC(=S)NCC3(c4ccccc4)CCCC3)cn2)c1 ZINC000223975032 568565059 /nfs/dbraw/zinc/56/50/59/568565059.db2.gz NWBCONLITISAFY-UHFFFAOYSA-N 0 0 416.594 5.932 40 0 HKABRN Cc1ccc(Nc2ccc(NC(=S)NCC3(c4ccccc4)CCCC3)cn2)cc1 ZINC000223975113 568564984 /nfs/dbraw/zinc/56/49/84/568564984.db2.gz AZXGVUSVTGZHOX-UHFFFAOYSA-N 0 0 416.594 5.932 40 0 HKABRN S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1ncc(Cl)cc1Cl ZINC000223975331 568565015 /nfs/dbraw/zinc/56/50/15/568565015.db2.gz SPHWOORDQCLGEE-UHFFFAOYSA-N 0 0 414.789 5.840 40 0 HKABRN S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1ccc(Br)cn1 ZINC000223975615 568565092 /nfs/dbraw/zinc/56/50/92/568565092.db2.gz PESCZIXMRSDHIR-UHFFFAOYSA-N 0 0 424.795 5.296 40 0 HKABRN CCSc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000223977931 568565109 /nfs/dbraw/zinc/56/51/09/568565109.db2.gz AYCYLPDWGGYSCA-CYVLTUHYSA-N 0 0 408.548 5.270 40 0 HKABRN S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1ncc(Cl)nc1Cl ZINC000223978042 568565170 /nfs/dbraw/zinc/56/51/70/568565170.db2.gz HJXRPYGMSSIGCZ-UHFFFAOYSA-N 0 0 415.777 5.235 40 0 HKABRN S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1ccc(N2CCCC2)nc1 ZINC000223978196 568565134 /nfs/dbraw/zinc/56/51/34/568565134.db2.gz WHHQUKPRDTXKQX-UHFFFAOYSA-N 0 0 415.006 5.134 40 0 HKABRN Cc1ccc(C)c(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 ZINC000223979817 568565132 /nfs/dbraw/zinc/56/51/32/568565132.db2.gz CLYTZQIQPPBRMV-OQKWZONESA-N 0 0 405.925 5.693 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCCOc2cc(C)ccc2C)c2ccccc2)cc1 ZINC000223979965 568565226 /nfs/dbraw/zinc/56/52/26/568565226.db2.gz HBWXBWCUXSULTQ-HKOYGPOVSA-N 0 0 401.506 5.048 40 0 HKABRN Cc1nc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c(Cl)cc1Cl ZINC000223980901 568565205 /nfs/dbraw/zinc/56/52/05/568565205.db2.gz CRCBFDBRFKUOTN-UHFFFAOYSA-N 0 0 412.361 5.634 40 0 HKABRN Cc1nc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)ccc1Br ZINC000223981268 568565207 /nfs/dbraw/zinc/56/52/07/568565207.db2.gz HDWZNDJTGYJRHL-UHFFFAOYSA-N 0 0 422.367 5.090 40 0 HKABRN Cc1cnc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c(Br)c1 ZINC000223981492 568565127 /nfs/dbraw/zinc/56/51/27/568565127.db2.gz NXWOKEGUECJQQB-UHFFFAOYSA-N 0 0 422.367 5.090 40 0 HKABRN Cc1c(Cl)cnc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c1Cl ZINC000223981633 568565112 /nfs/dbraw/zinc/56/51/12/568565112.db2.gz NGUOQIAFCHKYSS-UHFFFAOYSA-N 0 0 412.361 5.634 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)NCCOc3cc(C)ccc3C)cc2)cc1 ZINC000223981988 568565321 /nfs/dbraw/zinc/56/53/21/568565321.db2.gz GPZOGJNJUXZZQH-UHFFFAOYSA-N 0 0 405.563 5.713 40 0 HKABRN Cc1cc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)ncc1Br ZINC000223982037 568565254 /nfs/dbraw/zinc/56/52/54/568565254.db2.gz FMQQZVWYRZCJRW-UHFFFAOYSA-N 0 0 422.367 5.090 40 0 HKABRN Cc1cc(Br)cnc1NC(=S)NCC1(c2ccc(F)cc2)CCCC1 ZINC000223982274 568565242 /nfs/dbraw/zinc/56/52/42/568565242.db2.gz VVDASQOLRYTNRN-UHFFFAOYSA-N 0 0 422.367 5.090 40 0 HKABRN Fc1ccc(C2(CNC(=S)Nc3ccc(N4CCCCC4)nc3)CCCC2)cc1 ZINC000223983274 568565319 /nfs/dbraw/zinc/56/53/19/568565319.db2.gz PYPWYATUSOWGDB-UHFFFAOYSA-N 0 0 412.578 5.009 40 0 HKABRN O=C(COc1ccc2c(c1)CCCC2)NCCSCc1c(Cl)cccc1Cl ZINC000223983307 568565282 /nfs/dbraw/zinc/56/52/82/568565282.db2.gz OTEWQQBFAYGRPY-UHFFFAOYSA-N 0 0 424.393 5.301 40 0 HKABRN Fc1ccc(C2(CNC(=S)Nc3ccc(Oc4ccccc4)nc3)CCCC2)cc1 ZINC000223984704 568565290 /nfs/dbraw/zinc/56/52/90/568565290.db2.gz BICUILRGAVITJC-UHFFFAOYSA-N 0 0 421.541 5.811 40 0 HKABRN S=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1ncc(Cl)cc1Cl ZINC000223985210 568565365 /nfs/dbraw/zinc/56/53/65/568565365.db2.gz HFPZYOUEQJTNQD-UHFFFAOYSA-N 0 0 414.789 5.840 40 0 HKABRN S=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1ccc(Br)cn1 ZINC000223985522 568565335 /nfs/dbraw/zinc/56/53/35/568565335.db2.gz IAGXTJFLBORJCD-UHFFFAOYSA-N 0 0 424.795 5.296 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 ZINC000223985569 568565288 /nfs/dbraw/zinc/56/52/88/568565288.db2.gz FGTHQVBLQWJAJI-SFHVURJKSA-N 0 0 420.509 5.047 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 ZINC000223985615 568565327 /nfs/dbraw/zinc/56/53/27/568565327.db2.gz FGTHQVBLQWJAJI-GOSISDBHSA-N 0 0 420.509 5.047 40 0 HKABRN S=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1ncc(Cl)nc1Cl ZINC000223987916 568565392 /nfs/dbraw/zinc/56/53/92/568565392.db2.gz CSTPPARFGKLOAJ-UHFFFAOYSA-N 0 0 415.777 5.235 40 0 HKABRN S=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1ccc(N2CCCC2)nc1 ZINC000223988076 568565425 /nfs/dbraw/zinc/56/54/25/568565425.db2.gz ABTQVNDAICVGKK-UHFFFAOYSA-N 0 0 415.006 5.134 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)Cc3ccc(Cl)cc3F)c2)cc1 ZINC000223988408 568565403 /nfs/dbraw/zinc/56/54/03/568565403.db2.gz YPRWZLKYHISEKW-UHFFFAOYSA-N 0 0 423.915 6.189 40 0 HKABRN S=C(NCC1(c2ccccc2)CCCCC1)Nc1ccc(Br)cn1 ZINC000223990379 568565394 /nfs/dbraw/zinc/56/53/94/568565394.db2.gz UXDJOFHGRYILPG-UHFFFAOYSA-N 0 0 404.377 5.033 40 0 HKABRN Cc1nc(NC(=S)NCC2(c3ccccc3)CCCCC2)c(Cl)cc1Cl ZINC000223990618 568565492 /nfs/dbraw/zinc/56/54/92/568565492.db2.gz QWSVAORLTIWDRJ-UHFFFAOYSA-N 0 0 408.398 5.885 40 0 HKABRN Cc1nc(NC(=S)NCC2(c3ccccc3)CCCCC2)ccc1Br ZINC000223991008 568565488 /nfs/dbraw/zinc/56/54/88/568565488.db2.gz DEKQUVNMCHGBCN-UHFFFAOYSA-N 0 0 418.404 5.341 40 0 HKABRN Cc1cnc(NC(=S)NCC2(c3ccccc3)CCCCC2)c(Br)c1 ZINC000223991240 568565489 /nfs/dbraw/zinc/56/54/89/568565489.db2.gz CFJUNHXWTLWTDG-UHFFFAOYSA-N 0 0 418.404 5.341 40 0 HKABRN Cc1c(Cl)cnc(NC(=S)NCC2(c3ccccc3)CCCCC2)c1Cl ZINC000223991394 568565566 /nfs/dbraw/zinc/56/55/66/568565566.db2.gz WWOCRJLNXIADGW-UHFFFAOYSA-N 0 0 408.398 5.885 40 0 HKABRN Cc1cc(NC(=S)NCC2(c3ccccc3)CCCCC2)ncc1Br ZINC000223991787 568565564 /nfs/dbraw/zinc/56/55/64/568565564.db2.gz HMAXHFYUXUBPCG-UHFFFAOYSA-N 0 0 418.404 5.341 40 0 HKABRN Cc1cc(Br)cnc1NC(=S)NCC1(c2ccccc2)CCCCC1 ZINC000223992020 568565479 /nfs/dbraw/zinc/56/54/79/568565479.db2.gz MSJSPPCXMCQSDA-UHFFFAOYSA-N 0 0 418.404 5.341 40 0 HKABRN S=C(NCC1(c2ccccc2)CCCCC1)Nc1ccc(N2CCCCC2)nc1 ZINC000223992952 568565576 /nfs/dbraw/zinc/56/55/76/568565576.db2.gz BQPTUCJMVSGWBS-UHFFFAOYSA-N 0 0 408.615 5.260 40 0 HKABRN CC1CCN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCCC3)cn2)CC1 ZINC000223993100 568565570 /nfs/dbraw/zinc/56/55/70/568565570.db2.gz QNNDAYXIQHNDRH-UHFFFAOYSA-N 0 0 422.642 5.506 40 0 HKABRN C[C@@H]1CCCN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCCC3)cn2)C1 ZINC000223993191 568565487 /nfs/dbraw/zinc/56/54/87/568565487.db2.gz GXTOSAGAMKWSEN-HXUWFJFHSA-N 0 0 422.642 5.506 40 0 HKABRN C[C@H]1CCCN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCCC3)cn2)C1 ZINC000223993252 568565620 /nfs/dbraw/zinc/56/56/20/568565620.db2.gz GXTOSAGAMKWSEN-FQEVSTJZSA-N 0 0 422.642 5.506 40 0 HKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccccc3)CCCCC2)cn1 ZINC000223993328 568565613 /nfs/dbraw/zinc/56/56/13/568565613.db2.gz GVKZZZJRXPNPIC-HXUWFJFHSA-N 0 0 422.642 5.649 40 0 HKABRN C[C@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccccc3)CCCCC2)cn1 ZINC000223993385 568565697 /nfs/dbraw/zinc/56/56/97/568565697.db2.gz GVKZZZJRXPNPIC-FQEVSTJZSA-N 0 0 422.642 5.649 40 0 HKABRN S=C(NCC1(c2ccccc2)CCCCC1)Nc1ccc(N2CCCCCC2)nc1 ZINC000223994017 568565599 /nfs/dbraw/zinc/56/55/99/568565599.db2.gz NWRWYYNPAFQNKM-UHFFFAOYSA-N 0 0 422.642 5.651 40 0 HKABRN S=C(NCC1(c2ccccc2)CCCCC1)Nc1ccc(Oc2ccccc2)nc1 ZINC000223994316 568565598 /nfs/dbraw/zinc/56/55/98/568565598.db2.gz AVHUYPZDRBWBFW-UHFFFAOYSA-N 0 0 417.578 6.062 40 0 HKABRN Cc1nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)ccc1Cl ZINC000223995802 568565646 /nfs/dbraw/zinc/56/56/46/568565646.db2.gz RXJVTNAJWOJLTO-UHFFFAOYSA-N 0 0 408.398 5.885 40 0 HKABRN Cc1cnc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)c(Cl)c1 ZINC000223996039 568565618 /nfs/dbraw/zinc/56/56/18/568565618.db2.gz SYKKSTAHNGYIRH-UHFFFAOYSA-N 0 0 408.398 5.885 40 0 HKABRN Cc1cc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)ncc1Cl ZINC000223996566 568565636 /nfs/dbraw/zinc/56/56/36/568565636.db2.gz ZILJSDDKZMSYGW-UHFFFAOYSA-N 0 0 408.398 5.885 40 0 HKABRN Cc1cc(Cl)cnc1NC(=S)NCC1(c2ccc(Cl)cc2)CCCCC1 ZINC000223996778 568565608 /nfs/dbraw/zinc/56/56/08/568565608.db2.gz XDUNHSCXOBWQSC-UHFFFAOYSA-N 0 0 408.398 5.885 40 0 HKABRN Cc1nc(NC(=S)NCC2(c3cccc(Cl)c3)CCCCC2)ccc1Cl ZINC000224001034 568565914 /nfs/dbraw/zinc/56/59/14/568565914.db2.gz MEQCSVLAPXCJGT-UHFFFAOYSA-N 0 0 408.398 5.885 40 0 HKABRN Cc1cnc(NC(=S)NCC2(c3cccc(Cl)c3)CCCCC2)c(Cl)c1 ZINC000224001270 568565942 /nfs/dbraw/zinc/56/59/42/568565942.db2.gz WKXUJTIPMKMBHK-UHFFFAOYSA-N 0 0 408.398 5.885 40 0 HKABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000224001456 568565947 /nfs/dbraw/zinc/56/59/47/568565947.db2.gz GBMUCZZHKIVVQR-KRWDZBQOSA-N 0 0 401.919 5.217 40 0 HKABRN CCc1ccc(O[C@H](CC)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000224001511 568565921 /nfs/dbraw/zinc/56/59/21/568565921.db2.gz GBMUCZZHKIVVQR-QGZVFWFLSA-N 0 0 401.919 5.217 40 0 HKABRN Cc1cc(NC(=S)NCC2(c3cccc(Cl)c3)CCCCC2)ncc1Cl ZINC000224001826 568565913 /nfs/dbraw/zinc/56/59/13/568565913.db2.gz IFVKIVVOJRSINB-UHFFFAOYSA-N 0 0 408.398 5.885 40 0 HKABRN Cc1cc(Cl)cnc1NC(=S)NCC1(c2cccc(Cl)c2)CCCCC1 ZINC000224002047 568565874 /nfs/dbraw/zinc/56/58/74/568565874.db2.gz KTPUVTRGPAIHOE-UHFFFAOYSA-N 0 0 408.398 5.885 40 0 HKABRN Cc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224002469 568565906 /nfs/dbraw/zinc/56/59/06/568565906.db2.gz IHWMGRQVJYBGOT-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c1 ZINC000224002552 568565929 /nfs/dbraw/zinc/56/59/29/568565929.db2.gz XOPBUNFTOYKOKI-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)cc1 ZINC000224002603 568565945 /nfs/dbraw/zinc/56/59/45/568565945.db2.gz QWYOUOARFRXMKL-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Fc1ccc(C2(CNC(=S)Nc3ncc(Cl)cc3Cl)CCCCC2)cc1 ZINC000224004958 568565969 /nfs/dbraw/zinc/56/59/69/568565969.db2.gz HVOCMOCJOKIKCB-UHFFFAOYSA-N 0 0 412.361 5.716 40 0 HKABRN Fc1ccc(C2(CNC(=S)Nc3ccc(Br)cn3)CCCCC2)cc1 ZINC000224005281 568565959 /nfs/dbraw/zinc/56/59/59/568565959.db2.gz NTMSREFUORSYGX-UHFFFAOYSA-N 0 0 422.367 5.172 40 0 HKABRN Fc1ccc(C2(CNC(=S)Nc3ncc(Cl)nc3Cl)CCCCC2)cc1 ZINC000224007639 568566020 /nfs/dbraw/zinc/56/60/20/568566020.db2.gz NLMVJHRXBJRQKC-UHFFFAOYSA-N 0 0 413.349 5.111 40 0 HKABRN Fc1ccc(C2(CNC(=S)Nc3ccc(N4CCCC4)nc3)CCCCC2)cc1 ZINC000224007763 568566078 /nfs/dbraw/zinc/56/60/78/568566078.db2.gz QRIXJZPDKZFTGE-UHFFFAOYSA-N 0 0 412.578 5.009 40 0 HKABRN Cc1ccc(C)c(OCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 ZINC000224017008 568566512 /nfs/dbraw/zinc/56/65/12/568566512.db2.gz QDKFGYREMYJADA-UHFFFAOYSA-N 0 0 409.913 5.345 40 0 HKABRN O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000224018044 568566484 /nfs/dbraw/zinc/56/64/84/568566484.db2.gz MIWLVARTTCRESS-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000224018385 568566526 /nfs/dbraw/zinc/56/65/26/568566526.db2.gz YUQIJCBVHMDIIY-CYBMUJFWSA-N 0 0 409.898 5.418 40 0 HKABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000224018443 568566498 /nfs/dbraw/zinc/56/64/98/568566498.db2.gz YUQIJCBVHMDIIY-ZDUSSCGKSA-N 0 0 409.898 5.418 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000224018584 568566502 /nfs/dbraw/zinc/56/65/02/568566502.db2.gz IOAGAYYDSWFKCP-XBXARRHUSA-N 0 0 410.713 5.817 40 0 HKABRN CCc1ccc(CC)c(CNC(=O)CSCc2ccc(Br)cc2)c1 ZINC000224019633 568566491 /nfs/dbraw/zinc/56/64/91/568566491.db2.gz WDSGWKUBOSNUSM-UHFFFAOYSA-N 0 0 406.389 5.124 40 0 HKABRN CCc1cccc(C)c1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C ZINC000224020084 568566686 /nfs/dbraw/zinc/56/66/86/568566686.db2.gz NMMJUYPQRLZUBQ-QNGOZBTKSA-N 0 0 404.535 5.337 40 0 HKABRN Cc1ccc(C)c(OCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 ZINC000224022107 568566601 /nfs/dbraw/zinc/56/66/01/568566601.db2.gz YZHLHJJOUTYRKI-UHFFFAOYSA-N 0 0 421.562 5.283 40 0 HKABRN Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c(C)c1 ZINC000224028093 568566942 /nfs/dbraw/zinc/56/69/42/568566942.db2.gz QJMJECJIUXLOID-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1cccc(C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224028163 568566970 /nfs/dbraw/zinc/56/69/70/568566970.db2.gz XRGHUICRJSKREM-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1C ZINC000224028249 568566864 /nfs/dbraw/zinc/56/68/64/568566864.db2.gz JOHUAWQZGBOULG-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN O=C(Nc1ccccc1Cl)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224028477 568566957 /nfs/dbraw/zinc/56/69/57/568566957.db2.gz ZFGSLQIZKXYDJQ-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN Cc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1C ZINC000224029169 568566879 /nfs/dbraw/zinc/56/68/79/568566879.db2.gz POSAZVNSFLVYLQ-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(C)c(OCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000224031250 568567035 /nfs/dbraw/zinc/56/70/35/568567035.db2.gz TZDCZHNCONFEFQ-UHFFFAOYSA-N 0 0 409.913 5.345 40 0 HKABRN Cc1ccc(C)c(OCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 ZINC000224031567 568567065 /nfs/dbraw/zinc/56/70/65/568567065.db2.gz OPSPDUXTCLCEDM-UHFFFAOYSA-N 0 0 409.913 5.345 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1F)Nc1ccccc1Oc1ccccc1 ZINC000224037568 568567320 /nfs/dbraw/zinc/56/73/20/568567320.db2.gz AICWWENXGAGACW-UHFFFAOYSA-N 0 0 401.890 6.143 40 0 HKABRN Cc1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224049072 568567673 /nfs/dbraw/zinc/56/76/73/568567673.db2.gz RBSDPZWJEVSODK-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1cccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000224049153 568567708 /nfs/dbraw/zinc/56/77/08/568567708.db2.gz KSRGWIGPFQXSTE-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000224049208 568567746 /nfs/dbraw/zinc/56/77/46/568567746.db2.gz IHNFVRVKAOOOCE-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000224054203 568567942 /nfs/dbraw/zinc/56/79/42/568567942.db2.gz KQXNNTLTEJNJLX-UHFFFAOYSA-N 0 0 401.853 5.009 40 0 HKABRN Cc1cc(C)cc(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 ZINC000224055534 568568011 /nfs/dbraw/zinc/56/80/11/568568011.db2.gz BHXNWIMQMALYIM-HAVVHWLPSA-N 0 0 405.925 5.693 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCCOc2cc(C)cc(C)c2)c2ccccc2)cc1 ZINC000224055701 568568049 /nfs/dbraw/zinc/56/80/49/568568049.db2.gz YKDFUULYZNCGMA-XIEYBQDHSA-N 0 0 401.506 5.048 40 0 HKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000224056628 568568024 /nfs/dbraw/zinc/56/80/24/568568024.db2.gz MFBLIHRCQPTEGZ-UHFFFAOYSA-N 0 0 401.080 5.738 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)NCCOc3cc(C)cc(C)c3)cc2)cc1 ZINC000224056629 568568085 /nfs/dbraw/zinc/56/80/85/568568085.db2.gz BTFNLXVOTTYWRS-UHFFFAOYSA-N 0 0 405.563 5.713 40 0 HKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000224056880 568568014 /nfs/dbraw/zinc/56/80/14/568568014.db2.gz VFTHWOHVAASGAZ-UHFFFAOYSA-N 0 0 400.187 5.450 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000224056969 568568016 /nfs/dbraw/zinc/56/80/16/568568016.db2.gz QNUSEWHJUWYVMI-UHFFFAOYSA-N 0 0 400.187 5.450 40 0 HKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000224057148 568568025 /nfs/dbraw/zinc/56/80/25/568568025.db2.gz FDZVOANVKOJECX-UHFFFAOYSA-N 0 0 403.869 5.357 40 0 HKABRN O=C(c1cnn(-c2ccc(Cl)cc2)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000224057413 568568027 /nfs/dbraw/zinc/56/80/27/568568027.db2.gz SONCNLBSDWWUEX-UHFFFAOYSA-N 0 0 401.897 5.368 40 0 HKABRN O=C(Nc1ccccc1Sc1ccccc1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000224058222 568568186 /nfs/dbraw/zinc/56/81/86/568568186.db2.gz XNOFUHMHTSRGED-UHFFFAOYSA-N 0 0 405.910 5.929 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000224058296 568568152 /nfs/dbraw/zinc/56/81/52/568568152.db2.gz FOCWAHDVDGJLRB-UHFFFAOYSA-N 0 0 424.287 6.224 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000224058527 568568150 /nfs/dbraw/zinc/56/81/50/568568150.db2.gz CTDLZQNITVAOEV-UHFFFAOYSA-N 0 0 400.187 5.450 40 0 HKABRN O=C(CCSc1ccc(Cl)cc1)Nc1nnc(SCc2ccccc2)s1 ZINC000224062616 568568161 /nfs/dbraw/zinc/56/81/61/568568161.db2.gz XHRKGSLTFZIPCC-UHFFFAOYSA-N 0 0 422.000 5.605 40 0 HKABRN COc1ccccc1Oc1ccc(Cl)cc1NC(=O)CCc1ccc(C)c(C)c1 ZINC000224063822 568568318 /nfs/dbraw/zinc/56/83/18/568568318.db2.gz PPTPWSAVDQEMSW-UHFFFAOYSA-N 0 0 409.913 6.329 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc(-c2ccccc2)on1 ZINC000224064957 568568268 /nfs/dbraw/zinc/56/82/68/568568268.db2.gz SWJACNMVMGUXRD-UHFFFAOYSA-N 0 0 402.837 5.478 40 0 HKABRN O=C(Nc1ccccc1)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000224065436 568568340 /nfs/dbraw/zinc/56/83/40/568568340.db2.gz REBCYCCIJKPHGF-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN CC[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(OC)c(C)c1 ZINC000224068161 568568508 /nfs/dbraw/zinc/56/85/08/568568508.db2.gz FVUGGYFQKPXZOD-JOCHJYFZSA-N 0 0 423.940 6.117 40 0 HKABRN CC[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(OC)c(C)c1 ZINC000224068204 568568477 /nfs/dbraw/zinc/56/84/77/568568477.db2.gz FVUGGYFQKPXZOD-QFIPXVFZSA-N 0 0 423.940 6.117 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc(-c2ccc(F)cc2)on1 ZINC000224068565 568568466 /nfs/dbraw/zinc/56/84/66/568568466.db2.gz PJVAFAYIOOEKBK-UHFFFAOYSA-N 0 0 408.816 6.179 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc(-c2ccc(F)cc2)on1 ZINC000224068890 568568438 /nfs/dbraw/zinc/56/84/38/568568438.db2.gz HMDRYMZACGENTB-UHFFFAOYSA-N 0 0 420.827 5.617 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 ZINC000224069750 568568492 /nfs/dbraw/zinc/56/84/92/568568492.db2.gz CPCIBCRSXOICOK-PXLXIMEGSA-N 0 0 411.423 5.571 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSc1ccc(Cl)cc1 ZINC000224070202 568568471 /nfs/dbraw/zinc/56/84/71/568568471.db2.gz MPUWWMCAODDOFR-OAQYLSRUSA-N 0 0 403.975 5.285 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSc1ccc(Cl)cc1 ZINC000224070264 568568454 /nfs/dbraw/zinc/56/84/54/568568454.db2.gz MPUWWMCAODDOFR-NRFANRHFSA-N 0 0 403.975 5.285 40 0 HKABRN O=C(CSCc1ccc(Br)cc1)NCc1cccc(C(F)(F)F)c1 ZINC000224070954 568568452 /nfs/dbraw/zinc/56/84/52/568568452.db2.gz NHAREMCHMZYUDI-UHFFFAOYSA-N 0 0 418.278 5.018 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)CCCOc2ccc(Cl)cc2)c2ccccc2O1 ZINC000224075259 568568746 /nfs/dbraw/zinc/56/87/46/568568746.db2.gz KJEVQGBQBGWWRC-HXUWFJFHSA-N 0 0 401.934 5.698 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)CCCOc2ccc(Cl)cc2)c2ccccc2O1 ZINC000224075308 568568684 /nfs/dbraw/zinc/56/86/84/568568684.db2.gz KJEVQGBQBGWWRC-FQEVSTJZSA-N 0 0 401.934 5.698 40 0 HKABRN CCc1ccc(CC)c(CNC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 ZINC000224077134 568568855 /nfs/dbraw/zinc/56/88/55/568568855.db2.gz HQAHJCPUBMMUCG-UHFFFAOYSA-N 0 0 419.590 5.913 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)(C)CC(C)(C)C)c2C)cc1 ZINC000224080244 568568975 /nfs/dbraw/zinc/56/89/75/568568975.db2.gz OKFQBPNQRKIWPE-UHFFFAOYSA-N 0 0 416.587 5.049 40 0 HKABRN CCCC[C@@H](CC)CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C ZINC000224080484 568568924 /nfs/dbraw/zinc/56/89/24/568568924.db2.gz GLLRPQUFKVRODH-LJQANCHMSA-N 0 0 416.587 5.050 40 0 HKABRN CCCC[C@H](CC)CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C ZINC000224080537 568568984 /nfs/dbraw/zinc/56/89/84/568568984.db2.gz GLLRPQUFKVRODH-IBGZPJMESA-N 0 0 416.587 5.050 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccc(C)c(C)c1 ZINC000224081012 568568947 /nfs/dbraw/zinc/56/89/47/568568947.db2.gz NDMKRLFYOQHJJM-LEYFIJQKSA-N 0 0 418.562 5.403 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccc(C)c(C)c1 ZINC000224081056 568568996 /nfs/dbraw/zinc/56/89/96/568568996.db2.gz NDMKRLFYOQHJJM-NRPPHEFGSA-N 0 0 418.562 5.403 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1COc1ccccc1 ZINC000224083882 568569099 /nfs/dbraw/zinc/56/90/99/568569099.db2.gz WLJAYJJKFYBRBY-UHFFFAOYSA-N 0 0 416.304 5.511 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2C)cc1 ZINC000224084632 568569224 /nfs/dbraw/zinc/56/92/24/568569224.db2.gz HWALSZOPWKYIFL-UHFFFAOYSA-N 0 0 416.587 5.049 40 0 HKABRN CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000224084830 568569208 /nfs/dbraw/zinc/56/92/08/568569208.db2.gz IPAPFJYIFXGMIM-LJQANCHMSA-N 0 0 416.587 5.050 40 0 HKABRN CCCC[C@H](CC)CNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000224084871 568569213 /nfs/dbraw/zinc/56/92/13/568569213.db2.gz IPAPFJYIFXGMIM-IBGZPJMESA-N 0 0 416.587 5.050 40 0 HKABRN Cc1cc(C)cc(OCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 ZINC000224085695 568569202 /nfs/dbraw/zinc/56/92/02/568569202.db2.gz BDKNUUJOXRECBB-UHFFFAOYSA-N 0 0 409.913 5.345 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2Br)cc1COc1ccccc1 ZINC000224086182 568569237 /nfs/dbraw/zinc/56/92/37/568569237.db2.gz ANZBLDRTLULIPJ-UHFFFAOYSA-N 0 0 412.283 5.289 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Br)c2)cc1COc1ccccc1 ZINC000224086261 568569243 /nfs/dbraw/zinc/56/92/43/568569243.db2.gz GNVFKNVXNJAXIZ-UHFFFAOYSA-N 0 0 412.283 5.289 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COc1ccccc1 ZINC000224086329 568569252 /nfs/dbraw/zinc/56/92/52/568569252.db2.gz CAGSJZVFIBQGOL-UHFFFAOYSA-N 0 0 412.283 5.289 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1ccccc1 ZINC000224086792 568569302 /nfs/dbraw/zinc/56/93/02/568569302.db2.gz ZRSQEHCXUYMSPC-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1ccccc1 ZINC000224086863 568569389 /nfs/dbraw/zinc/56/93/89/568569389.db2.gz DMJXUCWWPLCHML-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccccc1 ZINC000224086939 568569299 /nfs/dbraw/zinc/56/92/99/568569299.db2.gz DZNRXWZISCHBHX-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1ccccc1 ZINC000224087017 568569391 /nfs/dbraw/zinc/56/93/91/568569391.db2.gz GKDGHCAVRCEZFJ-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1ccccc1 ZINC000224087092 568569312 /nfs/dbraw/zinc/56/93/12/568569312.db2.gz PIASZOTVHXFIAI-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccccc1 ZINC000224087564 568569300 /nfs/dbraw/zinc/56/93/00/568569300.db2.gz NMVSIIHPWMRQLG-UHFFFAOYSA-N 0 0 401.384 5.545 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccccc1 ZINC000224087637 568569388 /nfs/dbraw/zinc/56/93/88/568569388.db2.gz NRZDGVQSSNLUAD-UHFFFAOYSA-N 0 0 401.384 5.545 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccccc1 ZINC000224087719 568569328 /nfs/dbraw/zinc/56/93/28/568569328.db2.gz WSEOMJMSFJCUTN-UHFFFAOYSA-N 0 0 401.384 5.545 40 0 HKABRN Cc1cc(C)cc(OCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 ZINC000224090172 568569486 /nfs/dbraw/zinc/56/94/86/568569486.db2.gz WNSPJZIKNLZJTK-UHFFFAOYSA-N 0 0 421.562 5.283 40 0 HKABRN COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COc1ccccc1 ZINC000224090230 568569426 /nfs/dbraw/zinc/56/94/26/568569426.db2.gz BSFPHHHZARAHNX-UHFFFAOYSA-N 0 0 415.533 5.369 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2C)cc1 ZINC000224090642 568569493 /nfs/dbraw/zinc/56/94/93/568569493.db2.gz SUUQIBXPKHXNMS-UHFFFAOYSA-N 0 0 416.587 5.049 40 0 HKABRN CCCC[C@@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000224090864 568569424 /nfs/dbraw/zinc/56/94/24/568569424.db2.gz ZECLNBLBFVSKJV-LJQANCHMSA-N 0 0 416.587 5.050 40 0 HKABRN CCCC[C@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000224090919 568569510 /nfs/dbraw/zinc/56/95/10/568569510.db2.gz ZECLNBLBFVSKJV-IBGZPJMESA-N 0 0 416.587 5.050 40 0 HKABRN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccccc1SCc1ccccc1 ZINC000224093290 568569653 /nfs/dbraw/zinc/56/96/53/568569653.db2.gz HXAQYMFFMXJBOY-UHFFFAOYSA-N 0 0 409.510 7.131 40 0 HKABRN COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1COc1ccccc1 ZINC000224093386 568569572 /nfs/dbraw/zinc/56/95/72/568569572.db2.gz PXHKPXWMABEIIZ-UHFFFAOYSA-N 0 0 423.512 5.794 40 0 HKABRN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccccc1SCc1ccccc1 ZINC000224093627 568569591 /nfs/dbraw/zinc/56/95/91/568569591.db2.gz ZXCRKAMCZIYTIL-UHFFFAOYSA-N 0 0 410.542 6.217 40 0 HKABRN CCCc1ccc(OCCNC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000224093701 568569607 /nfs/dbraw/zinc/56/96/07/568569607.db2.gz GZTGMNWQRXCMRH-UHFFFAOYSA-N 0 0 405.563 5.740 40 0 HKABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000224096183 568569746 /nfs/dbraw/zinc/56/97/46/568569746.db2.gz AAIZTTUWCPSVAK-OAQYLSRUSA-N 0 0 422.613 5.106 40 0 HKABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000224096237 568569758 /nfs/dbraw/zinc/56/97/58/568569758.db2.gz AAIZTTUWCPSVAK-NRFANRHFSA-N 0 0 422.613 5.106 40 0 HKABRN Cc1cc(C)cc(OCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000224097633 568569675 /nfs/dbraw/zinc/56/96/75/568569675.db2.gz BWIXDBGGXCVWLW-UHFFFAOYSA-N 0 0 409.913 5.345 40 0 HKABRN Cc1cc(C)cc(OCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 ZINC000224097857 568569733 /nfs/dbraw/zinc/56/97/33/568569733.db2.gz QZCXQFVWJUURGE-UHFFFAOYSA-N 0 0 409.913 5.345 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1ccccc1C ZINC000224098349 568569677 /nfs/dbraw/zinc/56/96/77/568569677.db2.gz CZXPJMGZDUYQNS-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1ccccc1C ZINC000224098427 568569708 /nfs/dbraw/zinc/56/97/08/568569708.db2.gz NKOWLKBSLPFIOV-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccccc1C ZINC000224098509 568569765 /nfs/dbraw/zinc/56/97/65/568569765.db2.gz LPFRDFIVHJFBBE-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1ccccc1C ZINC000224098578 568569693 /nfs/dbraw/zinc/56/96/93/568569693.db2.gz ORQZORVZZVRRFF-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1ccccc1C ZINC000224098658 568569875 /nfs/dbraw/zinc/56/98/75/568569875.db2.gz WWQGUPUUDFHQON-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccccc1C ZINC000224099109 568569840 /nfs/dbraw/zinc/56/98/40/568569840.db2.gz AGCWKSQXOGHIMR-UHFFFAOYSA-N 0 0 415.411 5.854 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccccc1C ZINC000224099177 568569878 /nfs/dbraw/zinc/56/98/78/568569878.db2.gz KGLZGBDSIBPAJZ-UHFFFAOYSA-N 0 0 415.411 5.854 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccccc1C ZINC000224099253 568569849 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CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2ccccc2C)c1 ZINC000224104150 568570056 /nfs/dbraw/zinc/57/00/56/568570056.db2.gz RSOIYQFFKXHEAJ-UHFFFAOYSA-N 0 0 403.522 5.960 40 0 HKABRN O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(CSc2ccccc2)cc1 ZINC000224104608 568570060 /nfs/dbraw/zinc/57/00/60/568570060.db2.gz ABIPUJMIAVSLDS-UHFFFAOYSA-N 0 0 417.574 5.457 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccccc1C ZINC000224104990 568570052 /nfs/dbraw/zinc/57/00/52/568570052.db2.gz NITPWKVGNRFHLZ-FQEVSTJZSA-N 0 0 403.522 5.334 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccccc1C ZINC000224105049 568570089 /nfs/dbraw/zinc/57/00/89/568570089.db2.gz NITPWKVGNRFHLZ-HXUWFJFHSA-N 0 0 403.522 5.334 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1C ZINC000224105616 568570054 /nfs/dbraw/zinc/57/00/54/568570054.db2.gz NVYXIBJSBALNCQ-KRWDZBQOSA-N 0 0 409.913 5.727 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1C ZINC000224105672 568570074 /nfs/dbraw/zinc/57/00/74/568570074.db2.gz NVYXIBJSBALNCQ-QGZVFWFLSA-N 0 0 409.913 5.727 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000224106501 568570164 /nfs/dbraw/zinc/57/01/64/568570164.db2.gz ZNSSDDOMLHEXKZ-LEYFIJQKSA-N 0 0 416.546 5.021 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000224106531 568570225 /nfs/dbraw/zinc/57/02/25/568570225.db2.gz ZNSSDDOMLHEXKZ-NRPPHEFGSA-N 0 0 416.546 5.021 40 0 HKABRN CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 ZINC000224107157 568570223 /nfs/dbraw/zinc/57/02/23/568570223.db2.gz QPLSPBMEMBZTRJ-UHFFFAOYSA-N 0 0 422.550 5.107 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1cccc(C)c1 ZINC000224110447 568570288 /nfs/dbraw/zinc/57/02/88/568570288.db2.gz RZKMRPUPCPQNAD-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1cccc(C)c1 ZINC000224110528 568570274 /nfs/dbraw/zinc/57/02/74/568570274.db2.gz YKEKSPBUGXCFIY-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1cccc(C)c1 ZINC000224110609 568570278 /nfs/dbraw/zinc/57/02/78/568570278.db2.gz HIZCYFXCZQAFKL-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1cccc(C)c1 ZINC000224110696 568570332 /nfs/dbraw/zinc/57/03/32/568570332.db2.gz RSCRXMSQFBSIAT-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1cccc(C)c1 ZINC000224110781 568570351 /nfs/dbraw/zinc/57/03/51/568570351.db2.gz WLUDYFYVKDPZMW-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1cccc(C)c1 ZINC000224111257 568570343 /nfs/dbraw/zinc/57/03/43/568570343.db2.gz CZRKVNWTVLRMTC-UHFFFAOYSA-N 0 0 415.411 5.854 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1cccc(C)c1 ZINC000224111343 568570334 /nfs/dbraw/zinc/57/03/34/568570334.db2.gz MBCUDEUWFBECGT-UHFFFAOYSA-N 0 0 415.411 5.854 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1cccc(C)c1 ZINC000224111421 568570428 /nfs/dbraw/zinc/57/04/28/568570428.db2.gz YWYZIFZXYJPVNF-UHFFFAOYSA-N 0 0 415.411 5.854 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c(C)c1 ZINC000224112116 568570442 /nfs/dbraw/zinc/57/04/42/568570442.db2.gz FGLKEFGTJORTGF-OSVNEOKWSA-N 0 0 404.535 5.013 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c(C)c1 ZINC000224112174 568570386 /nfs/dbraw/zinc/57/03/86/568570386.db2.gz FGLKEFGTJORTGF-CEZZIEKDSA-N 0 0 404.535 5.013 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1cccc(C)c1 ZINC000224112709 568570392 /nfs/dbraw/zinc/57/03/92/568570392.db2.gz HKTLOFSRLWIAOG-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OC)c(COc3cccc(C)c3)c2)cc1Cl ZINC000224112783 568570375 /nfs/dbraw/zinc/57/03/75/568570375.db2.gz KZWLXRYTECSNEU-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3cccc(C)c3)c2)cc1 ZINC000224113109 568570540 /nfs/dbraw/zinc/57/05/40/568570540.db2.gz LRHFJHQDWWVBBR-UHFFFAOYSA-N 0 0 419.477 5.012 40 0 HKABRN Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000224114426 568570564 /nfs/dbraw/zinc/57/05/64/568570564.db2.gz FRYNVADIWXMGED-UHFFFAOYSA-N 0 0 422.550 5.196 40 0 HKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCSc1ccccc1 ZINC000224114949 568570570 /nfs/dbraw/zinc/57/05/70/568570570.db2.gz CQDWRHBHJOEWRU-QHCPKHFHSA-N 0 0 424.610 5.035 40 0 HKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCSc1ccccc1 ZINC000224115004 568570550 /nfs/dbraw/zinc/57/05/50/568570550.db2.gz CQDWRHBHJOEWRU-HSZRJFAPSA-N 0 0 424.610 5.035 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3cccc(C)c3)c2)cc1 ZINC000224115785 568570670 /nfs/dbraw/zinc/57/06/70/568570670.db2.gz NAHCJZMLFLAMNH-UHFFFAOYSA-N 0 0 403.522 6.178 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2cccc(C)c2)c1 ZINC000224116156 568570668 /nfs/dbraw/zinc/57/06/68/568570668.db2.gz BXKHAMHFCBPVRF-UHFFFAOYSA-N 0 0 403.522 5.960 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1cccc(C)c1 ZINC000224117000 568570640 /nfs/dbraw/zinc/57/06/40/568570640.db2.gz TUHZFNDTEOCZNG-FQEVSTJZSA-N 0 0 403.522 5.334 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1cccc(C)c1 ZINC000224117045 568570594 /nfs/dbraw/zinc/57/05/94/568570594.db2.gz TUHZFNDTEOCZNG-HXUWFJFHSA-N 0 0 403.522 5.334 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccc(C)cc1C ZINC000224117523 568570623 /nfs/dbraw/zinc/57/06/23/568570623.db2.gz BUKZNUSJRKDAML-LEYFIJQKSA-N 0 0 418.562 5.403 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccc(C)cc1C ZINC000224117577 568570617 /nfs/dbraw/zinc/57/06/17/568570617.db2.gz BUKZNUSJRKDAML-NRPPHEFGSA-N 0 0 418.562 5.403 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1cccc(C)c1 ZINC000224117607 568570643 /nfs/dbraw/zinc/57/06/43/568570643.db2.gz AXSCXZWXVZVDRQ-KRWDZBQOSA-N 0 0 409.913 5.727 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1cccc(C)c1 ZINC000224117654 568570682 /nfs/dbraw/zinc/57/06/82/568570682.db2.gz AXSCXZWXVZVDRQ-QGZVFWFLSA-N 0 0 409.913 5.727 40 0 HKABRN Cc1ccc(OCCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1Cl ZINC000224118777 568570609 /nfs/dbraw/zinc/57/06/09/568570609.db2.gz GSJMAFYNYPXHCX-UHFFFAOYSA-N 0 0 411.954 5.750 40 0 HKABRN Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1 ZINC000224119912 568570714 /nfs/dbraw/zinc/57/07/14/568570714.db2.gz IRNZRYUQEWOGGF-UHFFFAOYSA-N 0 0 422.550 5.196 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCCOc2ccc(C)c(Cl)c2)c2ccccc2)cc1 ZINC000224120457 568570748 /nfs/dbraw/zinc/57/07/48/568570748.db2.gz BEZYPWHAPDGWOT-XQNSMLJCSA-N 0 0 421.924 5.393 40 0 HKABRN Cc1ccc(OCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1Cl ZINC000224121496 568570699 /nfs/dbraw/zinc/57/06/99/568570699.db2.gz AANHSZDABXYNOT-UHFFFAOYSA-N 0 0 418.773 5.384 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1ccc(C)cc1 ZINC000224122655 568570708 /nfs/dbraw/zinc/57/07/08/568570708.db2.gz GDNYBJYUAYZQAT-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1ccc(C)cc1 ZINC000224122741 568570706 /nfs/dbraw/zinc/57/07/06/568570706.db2.gz FVXOKMBUHLEAJQ-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccc(C)cc1 ZINC000224122827 568570772 /nfs/dbraw/zinc/57/07/72/568570772.db2.gz BVVPVJGMNIOGFN-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1ccc(C)cc1 ZINC000224122904 568570742 /nfs/dbraw/zinc/57/07/42/568570742.db2.gz XHISECHJXAVQLP-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1ccc(C)cc1 ZINC000224122994 568570741 /nfs/dbraw/zinc/57/07/41/568570741.db2.gz BISGPMPZFJBVAX-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccc(C)cc1 ZINC000224123458 568570763 /nfs/dbraw/zinc/57/07/63/568570763.db2.gz NKTPPQSGDVIQPN-UHFFFAOYSA-N 0 0 415.411 5.854 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccc(C)cc1 ZINC000224123536 568570779 /nfs/dbraw/zinc/57/07/79/568570779.db2.gz HLLAMCRJQPZYRE-UHFFFAOYSA-N 0 0 415.411 5.854 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccc(C)cc1 ZINC000224123613 568570702 /nfs/dbraw/zinc/57/07/02/568570702.db2.gz UGDVDAXQZQAWPE-UHFFFAOYSA-N 0 0 415.411 5.854 40 0 HKABRN CCc1ccc([C@@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000224124713 568570849 /nfs/dbraw/zinc/57/08/49/568570849.db2.gz BCLXRSFEPIEQOC-MRXNPFEDSA-N 0 0 419.396 5.645 40 0 HKABRN CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000224124767 568570907 /nfs/dbraw/zinc/57/09/07/568570907.db2.gz BCLXRSFEPIEQOC-INIZCTEOSA-N 0 0 419.396 5.645 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1ccc(C)cc1 ZINC000224124823 568570886 /nfs/dbraw/zinc/57/08/86/568570886.db2.gz AWLLGNUFBJPNAX-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C)cc3)c2)cc1Cl ZINC000224124905 568570853 /nfs/dbraw/zinc/57/08/53/568570853.db2.gz NRZDCIKCOJBOIP-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C)cc3)c2)cc1 ZINC000224125207 568570839 /nfs/dbraw/zinc/57/08/39/568570839.db2.gz IHXGEGUXHJAVAA-UHFFFAOYSA-N 0 0 419.477 5.012 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C)cc3)c2)cc1 ZINC000224128496 568570963 /nfs/dbraw/zinc/57/09/63/568570963.db2.gz BTNALAANWIUQDL-UHFFFAOYSA-N 0 0 403.522 6.178 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2ccc(C)cc2)c1 ZINC000224128877 568571002 /nfs/dbraw/zinc/57/10/02/568571002.db2.gz GGGYTSIZAYYCSW-UHFFFAOYSA-N 0 0 403.522 5.960 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccc(C)cc1 ZINC000224129739 568571007 /nfs/dbraw/zinc/57/10/07/568571007.db2.gz INYPIRCWRWBHCK-FQEVSTJZSA-N 0 0 403.522 5.334 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccc(C)cc1 ZINC000224129791 568571004 /nfs/dbraw/zinc/57/10/04/568571004.db2.gz INYPIRCWRWBHCK-HXUWFJFHSA-N 0 0 403.522 5.334 40 0 HKABRN Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)c1 ZINC000224130348 568571001 /nfs/dbraw/zinc/57/10/01/568571001.db2.gz FAPJARGFOLONGL-UHFFFAOYSA-N 0 0 422.550 5.196 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccc(C)cc1 ZINC000224130412 568570984 /nfs/dbraw/zinc/57/09/84/568570984.db2.gz IKDVPIDCYUXTDE-KRWDZBQOSA-N 0 0 409.913 5.727 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccc(C)cc1 ZINC000224130475 568570992 /nfs/dbraw/zinc/57/09/92/568570992.db2.gz IKDVPIDCYUXTDE-QGZVFWFLSA-N 0 0 409.913 5.727 40 0 HKABRN COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccccc1Cl ZINC000224131919 568571054 /nfs/dbraw/zinc/57/10/54/568571054.db2.gz CZPHZNUJTBMKEX-UHFFFAOYSA-N 0 0 416.304 5.511 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccccc1Cl ZINC000224131975 568571045 /nfs/dbraw/zinc/57/10/45/568571045.db2.gz QBLFXDMXQCEETO-UHFFFAOYSA-N 0 0 416.304 5.511 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2ccccc2Cl)c1 ZINC000224133103 568571100 /nfs/dbraw/zinc/57/11/00/568571100.db2.gz BEBDTPYKBOTUDQ-UHFFFAOYSA-N 0 0 409.913 6.051 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccccc1Cl ZINC000224133409 568571023 /nfs/dbraw/zinc/57/10/23/568571023.db2.gz ZNGRSDLTEWULDQ-UHFFFAOYSA-N 0 0 409.913 6.303 40 0 HKABRN COc1ccc(C(=O)Nc2cccc3ccccc32)cc1COc1ccccc1Cl ZINC000224133465 568571081 /nfs/dbraw/zinc/57/10/81/568571081.db2.gz BHCSSDPOCJBDCI-UHFFFAOYSA-N 0 0 417.892 6.333 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccccc1Cl ZINC000224133705 568571113 /nfs/dbraw/zinc/57/11/13/568571113.db2.gz QJPABCKPMBRETJ-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccccc1Cl ZINC000224133750 568571106 /nfs/dbraw/zinc/57/11/06/568571106.db2.gz HNTFWRXDDPJECE-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccccc1Cl ZINC000224133824 568571094 /nfs/dbraw/zinc/57/10/94/568571094.db2.gz HQSNTTNLIMKFAY-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccccc1Cl ZINC000224134092 568571033 /nfs/dbraw/zinc/57/10/33/568571033.db2.gz LYAYDCZNCYKGCD-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccccc1Cl ZINC000224134155 568571056 /nfs/dbraw/zinc/57/10/56/568571056.db2.gz GEDSMMRTQDAETG-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccccc1Cl ZINC000224134204 568571077 /nfs/dbraw/zinc/57/10/77/568571077.db2.gz WUAQZKQBBKIRRU-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccccc1Cl ZINC000224134271 568571061 /nfs/dbraw/zinc/57/10/61/568571061.db2.gz HIXLQZYAWNRZGP-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccccc1Cl ZINC000224134676 568571031 /nfs/dbraw/zinc/57/10/31/568571031.db2.gz GKHSUOWVSXQENL-UHFFFAOYSA-N 0 0 403.812 5.458 40 0 HKABRN COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccccc1Cl ZINC000224134748 568571148 /nfs/dbraw/zinc/57/11/48/568571148.db2.gz SETJZQVGHSGCLV-UHFFFAOYSA-N 0 0 403.812 5.458 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccccc1Cl ZINC000224134873 568571133 /nfs/dbraw/zinc/57/11/33/568571133.db2.gz OXXFUODFGIXUMD-UHFFFAOYSA-N 0 0 420.267 5.972 40 0 HKABRN CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2ccccc2Cl)c1 ZINC000224135427 568571165 /nfs/dbraw/zinc/57/11/65/568571165.db2.gz KEWVKUSHKHXJLG-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3Cl)c2)cc1 ZINC000224135505 568571121 /nfs/dbraw/zinc/57/11/21/568571121.db2.gz MDGBSJDUOXZCBU-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(C)C)c2)c1 ZINC000224135930 568571159 /nfs/dbraw/zinc/57/11/59/568571159.db2.gz MATVAOFEZHWTQU-UHFFFAOYSA-N 0 0 422.550 5.196 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccccc1Cl ZINC000224136026 568571203 /nfs/dbraw/zinc/57/12/03/568571203.db2.gz OHFOQGDWELACKQ-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccccc1Cl ZINC000224136198 568571174 /nfs/dbraw/zinc/57/11/74/568571174.db2.gz IUEBRMUSOUOWJC-UHFFFAOYSA-N 0 0 413.926 5.902 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccccc1Cl ZINC000224136582 568571167 /nfs/dbraw/zinc/57/11/67/568571167.db2.gz FXNGWUOYLUJEHA-UHFFFAOYSA-N 0 0 409.869 5.383 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccccc1Cl ZINC000224136704 568571157 /nfs/dbraw/zinc/57/11/57/568571157.db2.gz PWYDDOZKBKXRSJ-UHFFFAOYSA-N 0 0 424.884 5.138 40 0 HKABRN Cc1ccccc1CN(C(=O)CCc1ccc(C(C)C)cc1)[C@@H](C)C(=O)NCC(C)C ZINC000224136999 568571216 /nfs/dbraw/zinc/57/12/16/568571216.db2.gz ZAQCQPCDKKIREK-QFIPXVFZSA-N 0 0 422.613 5.241 40 0 HKABRN Cc1ccccc1CN(C(=O)CCc1ccc(C(C)C)cc1)[C@H](C)C(=O)NCC(C)C ZINC000224137036 568571117 /nfs/dbraw/zinc/57/11/17/568571117.db2.gz ZAQCQPCDKKIREK-JOCHJYFZSA-N 0 0 422.613 5.241 40 0 HKABRN COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccccc1Cl ZINC000224138429 568571273 /nfs/dbraw/zinc/57/12/73/568571273.db2.gz COQAPTLRWOWENF-UHFFFAOYSA-N 0 0 407.897 5.126 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3Cl)c2)cc1 ZINC000224139034 568571308 /nfs/dbraw/zinc/57/13/08/568571308.db2.gz LUQRBKGUWUBRMN-UHFFFAOYSA-N 0 0 423.940 6.523 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccccc1Cl ZINC000224139115 568571220 /nfs/dbraw/zinc/57/12/20/568571220.db2.gz XTMQESYXVJJDKF-UHFFFAOYSA-N 0 0 413.926 5.902 40 0 HKABRN COc1cc(C)c(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1C(C)C ZINC000224139146 568571283 /nfs/dbraw/zinc/57/12/83/568571283.db2.gz BJHNXMGUHARHTB-LJQANCHMSA-N 0 0 417.571 5.016 40 0 HKABRN COc1cc(C)c(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1C(C)C ZINC000224139192 568571302 /nfs/dbraw/zinc/57/13/02/568571302.db2.gz BJHNXMGUHARHTB-IBGZPJMESA-N 0 0 417.571 5.016 40 0 HKABRN COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccccc1Cl ZINC000224139359 568571312 /nfs/dbraw/zinc/57/13/12/568571312.db2.gz LWLNGNFIIMKZIZ-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2ccccc2Cl)c1 ZINC000224139435 568571248 /nfs/dbraw/zinc/57/12/48/568571248.db2.gz CQXPNPCLQULHMK-UHFFFAOYSA-N 0 0 423.940 6.305 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc(C)c1Cl ZINC000224139442 568571234 /nfs/dbraw/zinc/57/12/34/568571234.db2.gz QFUBFSXDMHMWDT-KRWDZBQOSA-N 0 0 403.950 5.217 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc(C)c1Cl ZINC000224139498 568571232 /nfs/dbraw/zinc/57/12/32/568571232.db2.gz QFUBFSXDMHMWDT-QGZVFWFLSA-N 0 0 403.950 5.217 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccccc1Cl ZINC000224139814 568571285 /nfs/dbraw/zinc/57/12/85/568571285.db2.gz PDFZVEFYUFQAKS-UHFFFAOYSA-N 0 0 424.884 5.138 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccccc1Cl ZINC000224140285 568571236 /nfs/dbraw/zinc/57/12/36/568571236.db2.gz FIZWKLMOOQVKNS-SFHVURJKSA-N 0 0 423.940 5.679 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccccc1Cl ZINC000224140344 568571243 /nfs/dbraw/zinc/57/12/43/568571243.db2.gz FIZWKLMOOQVKNS-GOSISDBHSA-N 0 0 423.940 5.679 40 0 HKABRN COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccccc1Cl ZINC000224140391 568571228 /nfs/dbraw/zinc/57/12/28/568571228.db2.gz KBPXFWFQOHXIEJ-UHFFFAOYSA-N 0 0 401.934 5.770 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccccc1Cl ZINC000224141142 568571405 /nfs/dbraw/zinc/57/14/05/568571405.db2.gz CRNJCRRBJCRAQB-HNNXBMFYSA-N 0 0 413.876 5.558 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccccc1Cl ZINC000224141195 568571402 /nfs/dbraw/zinc/57/14/02/568571402.db2.gz CRNJCRRBJCRAQB-OAHLLOKOSA-N 0 0 413.876 5.558 40 0 HKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 ZINC000224141343 568571366 /nfs/dbraw/zinc/57/13/66/568571366.db2.gz ULUKELWTEHQNSJ-MIDMBNTASA-N 0 0 418.562 5.322 40 0 HKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 ZINC000224141392 568571336 /nfs/dbraw/zinc/57/13/36/568571336.db2.gz ULUKELWTEHQNSJ-IQJJTXKVSA-N 0 0 418.562 5.322 40 0 HKABRN COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1cccc(Cl)c1 ZINC000224142707 568571375 /nfs/dbraw/zinc/57/13/75/568571375.db2.gz QZOQPXLZTDREIA-UHFFFAOYSA-N 0 0 416.304 5.511 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1cccc(Cl)c1 ZINC000224142796 568571390 /nfs/dbraw/zinc/57/13/90/568571390.db2.gz HYTNFOGZFZDPNF-UHFFFAOYSA-N 0 0 416.304 5.511 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2cccc(Cl)c2)c1 ZINC000224144334 568571513 /nfs/dbraw/zinc/57/15/13/568571513.db2.gz UXQZMDUVHBCHFF-UHFFFAOYSA-N 0 0 409.913 6.051 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1cccc(Cl)c1 ZINC000224144713 568571450 /nfs/dbraw/zinc/57/14/50/568571450.db2.gz TUBCLHKQTYFELC-UHFFFAOYSA-N 0 0 409.913 6.303 40 0 HKABRN COc1ccc(C(=O)Nc2cccc3ccccc32)cc1COc1cccc(Cl)c1 ZINC000224144790 568571508 /nfs/dbraw/zinc/57/15/08/568571508.db2.gz IYNXCOGWMUYCRE-UHFFFAOYSA-N 0 0 417.892 6.333 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1cccc(Cl)c1 ZINC000224145107 568571443 /nfs/dbraw/zinc/57/14/43/568571443.db2.gz OOJPSQKOQXFDSJ-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1cccc(Cl)c1 ZINC000224145183 568571469 /nfs/dbraw/zinc/57/14/69/568571469.db2.gz YUDBLVYDVLSDFS-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1cccc(Cl)c1 ZINC000224145264 568571498 /nfs/dbraw/zinc/57/14/98/568571498.db2.gz ZTDSOVCOUNTXHZ-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1cccc(Cl)c1 ZINC000224145673 568571442 /nfs/dbraw/zinc/57/14/42/568571442.db2.gz PKZPXQUQECTHQU-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1cccc(Cl)c1 ZINC000224145765 568571446 /nfs/dbraw/zinc/57/14/46/568571446.db2.gz XWOKCCWKRGUWER-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1cccc(Cl)c1 ZINC000224145844 568571510 /nfs/dbraw/zinc/57/15/10/568571510.db2.gz RZAPIMZOEAMRSQ-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1cccc(Cl)c1 ZINC000224145922 568571436 /nfs/dbraw/zinc/57/14/36/568571436.db2.gz TUILIBWGDQVJBR-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1cccc(Cl)c1 ZINC000224146474 568571438 /nfs/dbraw/zinc/57/14/38/568571438.db2.gz CDCKWNJGPLYNGJ-UHFFFAOYSA-N 0 0 403.812 5.458 40 0 HKABRN COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1cccc(Cl)c1 ZINC000224146547 568571467 /nfs/dbraw/zinc/57/14/67/568571467.db2.gz GXAFBUNSUJNYPB-UHFFFAOYSA-N 0 0 403.812 5.458 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1cccc(Cl)c1 ZINC000224146691 568571473 /nfs/dbraw/zinc/57/14/73/568571473.db2.gz ZSQYQGYNPVDUCN-UHFFFAOYSA-N 0 0 420.267 5.972 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1Cl ZINC000224147213 568571606 /nfs/dbraw/zinc/57/16/06/568571606.db2.gz QNUGREFBDVRNSG-UHFFFAOYSA-N 0 0 421.924 6.129 40 0 HKABRN CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2cccc(Cl)c2)c1 ZINC000224147389 568571548 /nfs/dbraw/zinc/57/15/48/568571548.db2.gz RWDOKVXRXAUIIO-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN Cc1ccc(OCCNC(=O)c2ccccc2SCc2ccccc2)cc1Cl ZINC000224147420 568571543 /nfs/dbraw/zinc/57/15/43/568571543.db2.gz YFELZUFEXDVGJK-UHFFFAOYSA-N 0 0 411.954 5.750 40 0 HKABRN CCOc1ccc(NC(=O)c2ccc(OC)c(COc3cccc(Cl)c3)c2)cc1 ZINC000224147468 568571574 /nfs/dbraw/zinc/57/15/74/568571574.db2.gz UGOOBHWNHWRQKL-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)NC2CCCC2)cc1 ZINC000224147717 568571550 /nfs/dbraw/zinc/57/15/50/568571550.db2.gz DOUGIWMIXHDZJU-VWLOTQADSA-N 0 0 420.597 5.048 40 0 HKABRN CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](CC)C(=O)NC2CCCC2)cc1 ZINC000224147767 568571564 /nfs/dbraw/zinc/57/15/64/568571564.db2.gz DOUGIWMIXHDZJU-RUZDIDTESA-N 0 0 420.597 5.048 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1cccc(Cl)c1 ZINC000224148080 568571540 /nfs/dbraw/zinc/57/15/40/568571540.db2.gz HMIZWPFQZGUCRV-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1cccc(Cl)c1 ZINC000224148326 568571560 /nfs/dbraw/zinc/57/15/60/568571560.db2.gz UDUZJPYFIYAHFX-UHFFFAOYSA-N 0 0 413.926 5.902 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1cccc(Cl)c1 ZINC000224148806 568571577 /nfs/dbraw/zinc/57/15/77/568571577.db2.gz ODELYOUIXUFNRR-UHFFFAOYSA-N 0 0 409.869 5.383 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1cccc(Cl)c1 ZINC000224148952 568571598 /nfs/dbraw/zinc/57/15/98/568571598.db2.gz XDROMKVCTURNDT-UHFFFAOYSA-N 0 0 424.884 5.138 40 0 HKABRN COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1cccc(Cl)c1 ZINC000224150728 568571613 /nfs/dbraw/zinc/57/16/13/568571613.db2.gz NLMISSWGIRTIAI-UHFFFAOYSA-N 0 0 407.897 5.126 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3cccc(Cl)c3)c2)cc1 ZINC000224151290 568571721 /nfs/dbraw/zinc/57/17/21/568571721.db2.gz DRQMBWNTWNTCSP-UHFFFAOYSA-N 0 0 423.940 6.523 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1cccc(Cl)c1 ZINC000224151369 568571663 /nfs/dbraw/zinc/57/16/63/568571663.db2.gz GRDHEOMMMTZCRI-UHFFFAOYSA-N 0 0 413.926 5.902 40 0 HKABRN COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1cccc(Cl)c1 ZINC000224151614 568571669 /nfs/dbraw/zinc/57/16/69/568571669.db2.gz NGMMVTIFDFXKSG-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2cccc(Cl)c2)c1 ZINC000224151686 568571703 /nfs/dbraw/zinc/57/17/03/568571703.db2.gz ONBDDWXQEVCGLZ-UHFFFAOYSA-N 0 0 423.940 6.305 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1cccc(Cl)c1 ZINC000224152066 568571687 /nfs/dbraw/zinc/57/16/87/568571687.db2.gz LJRRTLJUQLMELR-UHFFFAOYSA-N 0 0 424.884 5.138 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1cccc(Cl)c1 ZINC000224152515 568571695 /nfs/dbraw/zinc/57/16/95/568571695.db2.gz RTVPWXIEOKAPNB-SFHVURJKSA-N 0 0 423.940 5.679 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1cccc(Cl)c1 ZINC000224152566 568571681 /nfs/dbraw/zinc/57/16/81/568571681.db2.gz RTVPWXIEOKAPNB-GOSISDBHSA-N 0 0 423.940 5.679 40 0 HKABRN COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1cccc(Cl)c1 ZINC000224152621 568571707 /nfs/dbraw/zinc/57/17/07/568571707.db2.gz DOKFDHGDXPIJSA-UHFFFAOYSA-N 0 0 401.934 5.770 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1c1ccccc1 ZINC000224153110 568571713 /nfs/dbraw/zinc/57/17/13/568571713.db2.gz IHATYTHPQSWRSN-DLBZAZTESA-N 0 0 416.369 5.083 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1c1ccccc1 ZINC000224153170 568571654 /nfs/dbraw/zinc/57/16/54/568571654.db2.gz IHATYTHPQSWRSN-IAGOWNOFSA-N 0 0 416.369 5.083 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1c1ccccc1 ZINC000224153220 568571676 /nfs/dbraw/zinc/57/16/76/568571676.db2.gz IHATYTHPQSWRSN-IRXDYDNUSA-N 0 0 416.369 5.083 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1c1ccccc1 ZINC000224153271 568571670 /nfs/dbraw/zinc/57/16/70/568571670.db2.gz IHATYTHPQSWRSN-SJORKVTESA-N 0 0 416.369 5.083 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1c1ccccc1 ZINC000224153344 568571674 /nfs/dbraw/zinc/57/16/74/568571674.db2.gz KBNXKKNVSJTPEM-DLBZAZTESA-N 0 0 416.369 5.083 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1cccc(Cl)c1 ZINC000224153388 568571798 /nfs/dbraw/zinc/57/17/98/568571798.db2.gz NVRCOUXYPAPPKB-HNNXBMFYSA-N 0 0 413.876 5.558 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1c1ccccc1 ZINC000224153396 568571785 /nfs/dbraw/zinc/57/17/85/568571785.db2.gz KBNXKKNVSJTPEM-IAGOWNOFSA-N 0 0 416.369 5.083 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1c1ccccc1 ZINC000224153442 568571813 /nfs/dbraw/zinc/57/18/13/568571813.db2.gz KBNXKKNVSJTPEM-IRXDYDNUSA-N 0 0 416.369 5.083 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1cccc(Cl)c1 ZINC000224153449 568571767 /nfs/dbraw/zinc/57/17/67/568571767.db2.gz NVRCOUXYPAPPKB-OAHLLOKOSA-N 0 0 413.876 5.558 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1c1ccccc1 ZINC000224153495 568571806 /nfs/dbraw/zinc/57/18/06/568571806.db2.gz KBNXKKNVSJTPEM-SJORKVTESA-N 0 0 416.369 5.083 40 0 HKABRN COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccc(Cl)cc1 ZINC000224154747 568571810 /nfs/dbraw/zinc/57/18/10/568571810.db2.gz RVNASLDCEPZOSV-UHFFFAOYSA-N 0 0 416.304 5.511 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccc(Cl)cc1 ZINC000224154830 568571751 /nfs/dbraw/zinc/57/17/51/568571751.db2.gz CMCKARJYGKOCMZ-UHFFFAOYSA-N 0 0 416.304 5.511 40 0 HKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000224154847 568571808 /nfs/dbraw/zinc/57/18/08/568571808.db2.gz UCSRSIVHWLPORC-UHFFFAOYSA-N 0 0 421.924 6.591 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2ccc(Cl)cc2)c1 ZINC000224156253 568571769 /nfs/dbraw/zinc/57/17/69/568571769.db2.gz XMWYUFFURUQKON-UHFFFAOYSA-N 0 0 409.913 6.051 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccc(Cl)cc1 ZINC000224156633 568571763 /nfs/dbraw/zinc/57/17/63/568571763.db2.gz FCNACQLSSKVJJD-UHFFFAOYSA-N 0 0 409.913 6.303 40 0 HKABRN COc1ccc(C(=O)Nc2cccc3ccccc32)cc1COc1ccc(Cl)cc1 ZINC000224156706 568571901 /nfs/dbraw/zinc/57/19/01/568571901.db2.gz QJIOLVGGBMKXKF-UHFFFAOYSA-N 0 0 417.892 6.333 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccc(Cl)cc1 ZINC000224157036 568571897 /nfs/dbraw/zinc/57/18/97/568571897.db2.gz VRRQDMREMLNKKU-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccc(Cl)cc1 ZINC000224157107 568571867 /nfs/dbraw/zinc/57/18/67/568571867.db2.gz IRMGKJLVMWGJII-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccc(Cl)cc1 ZINC000224157188 568571899 /nfs/dbraw/zinc/57/18/99/568571899.db2.gz CSSVUDIMDJGXFA-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccc(Cl)cc1 ZINC000224157533 568571876 /nfs/dbraw/zinc/57/18/76/568571876.db2.gz KDYBNFURVBMCAB-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccc(Cl)cc1 ZINC000224157598 568571903 /nfs/dbraw/zinc/57/19/03/568571903.db2.gz SNHGGKZJOPPWPF-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccc(Cl)cc1 ZINC000224157666 568571900 /nfs/dbraw/zinc/57/19/00/568571900.db2.gz FFLZTVINFAUQNW-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccc(Cl)cc1 ZINC000224157730 568571847 /nfs/dbraw/zinc/57/18/47/568571847.db2.gz PJCYNMIOAYFANU-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccc(Cl)cc1 ZINC000224158249 568571882 /nfs/dbraw/zinc/57/18/82/568571882.db2.gz MGLZFWUIJDYKEQ-UHFFFAOYSA-N 0 0 403.812 5.458 40 0 HKABRN O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(CSc2ccccc2)cc1 ZINC000224158253 568571878 /nfs/dbraw/zinc/57/18/78/568571878.db2.gz REZJDRYFOJVLIK-UHFFFAOYSA-N 0 0 403.547 5.875 40 0 HKABRN COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccc(Cl)cc1 ZINC000224158333 568571856 /nfs/dbraw/zinc/57/18/56/568571856.db2.gz MMZHYKLMGUJMJK-UHFFFAOYSA-N 0 0 403.812 5.458 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccc(Cl)cc1 ZINC000224158487 568571883 /nfs/dbraw/zinc/57/18/83/568571883.db2.gz ADDLIAUYOUMTQH-UHFFFAOYSA-N 0 0 420.267 5.972 40 0 HKABRN Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 ZINC000224158637 568571849 /nfs/dbraw/zinc/57/18/49/568571849.db2.gz XTLHYQFMEUYORJ-DNQXCXABSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 ZINC000224158686 568571898 /nfs/dbraw/zinc/57/18/98/568571898.db2.gz XTLHYQFMEUYORJ-RPWUZVMVSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 ZINC000224158718 568571871 /nfs/dbraw/zinc/57/18/71/568571871.db2.gz XTLHYQFMEUYORJ-BJKOFHAPSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 ZINC000224158766 568571884 /nfs/dbraw/zinc/57/18/84/568571884.db2.gz XTLHYQFMEUYORJ-ZEQRLZLVSA-N 0 0 410.546 5.358 40 0 HKABRN CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2ccc(Cl)cc2)c1 ZINC000224159171 568571872 /nfs/dbraw/zinc/57/18/72/568571872.db2.gz TXMAHTJSBBROKJ-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(Cl)cc3)c2)cc1 ZINC000224159249 568571894 /nfs/dbraw/zinc/57/18/94/568571894.db2.gz OFHVEUHWVOTVJF-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccc(Cl)cc1 ZINC000224159827 568571957 /nfs/dbraw/zinc/57/19/57/568571957.db2.gz MTUWKXLTHOKZSO-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccc(Cl)cc1 ZINC000224160074 568572005 /nfs/dbraw/zinc/57/20/05/568572005.db2.gz LLXLSZKGDUNTEN-UHFFFAOYSA-N 0 0 413.926 5.902 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccc(Cl)cc1 ZINC000224160528 568571996 /nfs/dbraw/zinc/57/19/96/568571996.db2.gz YGGPFQRHVQPULY-UHFFFAOYSA-N 0 0 409.869 5.383 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccc(Cl)cc1 ZINC000224160697 568572007 /nfs/dbraw/zinc/57/20/07/568572007.db2.gz ALIORTBRKJYZSS-UHFFFAOYSA-N 0 0 424.884 5.138 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1C1CCCC1 ZINC000224162093 568572002 /nfs/dbraw/zinc/57/20/02/568572002.db2.gz NYTKMNWRCWESJN-DNQXCXABSA-N 0 0 416.594 5.792 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1C1CCCC1 ZINC000224162151 568571991 /nfs/dbraw/zinc/57/19/91/568571991.db2.gz NYTKMNWRCWESJN-RPWUZVMVSA-N 0 0 416.594 5.792 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1C1CCCC1 ZINC000224162204 568571999 /nfs/dbraw/zinc/57/19/99/568571999.db2.gz NYTKMNWRCWESJN-BJKOFHAPSA-N 0 0 416.594 5.792 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1C1CCCC1 ZINC000224162259 568572004 /nfs/dbraw/zinc/57/20/04/568572004.db2.gz NYTKMNWRCWESJN-ZEQRLZLVSA-N 0 0 416.594 5.792 40 0 HKABRN COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc(Cl)cc1 ZINC000224162361 568571947 /nfs/dbraw/zinc/57/19/47/568571947.db2.gz FRFLZYGJAOVEQB-UHFFFAOYSA-N 0 0 407.897 5.126 40 0 HKABRN O=C(CSCc1cccc(Cl)c1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000224162775 568572090 /nfs/dbraw/zinc/57/20/90/568572090.db2.gz YJWMSHPOZSTFGT-UHFFFAOYSA-N 0 0 410.351 5.384 40 0 HKABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000224162928 568572097 /nfs/dbraw/zinc/57/20/97/568572097.db2.gz ZIVWMCQPQBMOHG-GFCCVEGCSA-N 0 0 408.723 5.387 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(Cl)cc3)c2)cc1 ZINC000224162948 568572101 /nfs/dbraw/zinc/57/21/01/568572101.db2.gz XCMFWBIEORLQJC-UHFFFAOYSA-N 0 0 423.940 6.523 40 0 HKABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000224162980 568572095 /nfs/dbraw/zinc/57/20/95/568572095.db2.gz ZIVWMCQPQBMOHG-LBPRGKRZSA-N 0 0 408.723 5.387 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccc(Cl)cc1 ZINC000224163017 568572115 /nfs/dbraw/zinc/57/21/15/568572115.db2.gz FQAGDENKYKERMT-UHFFFAOYSA-N 0 0 413.926 5.902 40 0 HKABRN COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc(Cl)cc1 ZINC000224163249 568572099 /nfs/dbraw/zinc/57/20/99/568572099.db2.gz CXXCWHDSEQUFQP-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2ccc(Cl)cc2)c1 ZINC000224163331 568572076 /nfs/dbraw/zinc/57/20/76/568572076.db2.gz OHVQRNHFGKNLHS-UHFFFAOYSA-N 0 0 423.940 6.305 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccc(Cl)cc1 ZINC000224163732 568572110 /nfs/dbraw/zinc/57/21/10/568572110.db2.gz UOWABQBYJROMDM-UHFFFAOYSA-N 0 0 424.884 5.138 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccc(Cl)cc1 ZINC000224164209 568572107 /nfs/dbraw/zinc/57/21/07/568572107.db2.gz TYXBQNUGPYUMFQ-SFHVURJKSA-N 0 0 423.940 5.679 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccc(Cl)cc1 ZINC000224164262 568572122 /nfs/dbraw/zinc/57/21/22/568572122.db2.gz TYXBQNUGPYUMFQ-GOSISDBHSA-N 0 0 423.940 5.679 40 0 HKABRN COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccc(Cl)cc1 ZINC000224164316 568572085 /nfs/dbraw/zinc/57/20/85/568572085.db2.gz BCTAWEMYBPDMJB-UHFFFAOYSA-N 0 0 401.934 5.770 40 0 HKABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000224164505 568572087 /nfs/dbraw/zinc/57/20/87/568572087.db2.gz MWFFWBUTLKBHRY-XMMPIXPASA-N 0 0 422.613 5.169 40 0 HKABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000224164568 568572060 /nfs/dbraw/zinc/57/20/60/568572060.db2.gz MWFFWBUTLKBHRY-DEOSSOPVSA-N 0 0 422.613 5.169 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccc(Cl)cc1 ZINC000224165080 568572105 /nfs/dbraw/zinc/57/21/05/568572105.db2.gz VNSPCPKRRGOYBL-HNNXBMFYSA-N 0 0 413.876 5.558 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccc(Cl)cc1 ZINC000224165135 568572114 /nfs/dbraw/zinc/57/21/14/568572114.db2.gz VNSPCPKRRGOYBL-OAHLLOKOSA-N 0 0 413.876 5.558 40 0 HKABRN COc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccccc1C(C)(C)C ZINC000224166354 568572159 /nfs/dbraw/zinc/57/21/59/568572159.db2.gz UDZKESBYSHQVQC-UHFFFAOYSA-N 0 0 409.570 6.024 40 0 HKABRN COc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccccc1C(C)(C)C ZINC000224166432 568572209 /nfs/dbraw/zinc/57/22/09/568572209.db2.gz GZDGSWKJPXWVLP-UHFFFAOYSA-N 0 0 421.581 6.192 40 0 HKABRN COc1ccc(C(=O)NCc2ccccc2)cc1COc1ccccc1C(C)(C)C ZINC000224166512 568572205 /nfs/dbraw/zinc/57/22/05/568572205.db2.gz NUNKNLLQNBROPV-UHFFFAOYSA-N 0 0 403.522 5.502 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccccc1C(C)(C)C ZINC000224166581 568572177 /nfs/dbraw/zinc/57/21/77/568572177.db2.gz SBUDONQAAVWCPS-UHFFFAOYSA-N 0 0 417.549 5.810 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1)c1ccc(C)c(C)c1 ZINC000224166623 568572163 /nfs/dbraw/zinc/57/21/63/568572163.db2.gz PKTCZNPBHZWZQN-KDYMBEQYSA-N 0 0 416.521 5.243 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1)c1ccc(C)c(C)c1 ZINC000224166666 568572226 /nfs/dbraw/zinc/57/22/26/568572226.db2.gz PKTCZNPBHZWZQN-VNLJKWRZSA-N 0 0 416.521 5.243 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccccc1C(C)(C)C ZINC000224166973 568572229 /nfs/dbraw/zinc/57/22/29/568572229.db2.gz GUNRDVUGHPYZOU-IBGZPJMESA-N 0 0 417.549 6.063 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccccc1C(C)(C)C ZINC000224167025 568572173 /nfs/dbraw/zinc/57/21/73/568572173.db2.gz GUNRDVUGHPYZOU-LJQANCHMSA-N 0 0 417.549 6.063 40 0 HKABRN COc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccccc1C(C)(C)C ZINC000224167098 568572188 /nfs/dbraw/zinc/57/21/88/568572188.db2.gz VHPSSMMWNXLBJR-UHFFFAOYSA-N 0 0 417.549 5.544 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C)c1ccc(C)c(C)c1 ZINC000224167529 568572150 /nfs/dbraw/zinc/57/21/50/568572150.db2.gz XHQUPMRQZKSGMK-KDYMBEQYSA-N 0 0 416.521 5.243 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C)c1ccc(C)c(C)c1 ZINC000224167583 568572224 /nfs/dbraw/zinc/57/22/24/568572224.db2.gz XHQUPMRQZKSGMK-VNLJKWRZSA-N 0 0 416.521 5.243 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2C)cc1COc1ccccc1C(C)(C)C ZINC000224167631 568572186 /nfs/dbraw/zinc/57/21/86/568572186.db2.gz UYEYYVQWLMSXJM-UHFFFAOYSA-N 0 0 403.522 6.132 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccccc1C(C)(C)C ZINC000224167707 568572132 /nfs/dbraw/zinc/57/21/32/568572132.db2.gz IOWJYVFDKXFPOY-UHFFFAOYSA-N 0 0 403.522 6.132 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccccc1C(C)(C)C ZINC000224167787 568572203 /nfs/dbraw/zinc/57/22/03/568572203.db2.gz ACLCONFHUTUPRO-UHFFFAOYSA-N 0 0 403.522 6.132 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccccc1C(C)(C)C ZINC000224167878 568572243 /nfs/dbraw/zinc/57/22/43/568572243.db2.gz INXQWCJLYTVSDH-UHFFFAOYSA-N 0 0 417.549 6.441 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccccc1C(C)(C)C ZINC000224167945 568572315 /nfs/dbraw/zinc/57/23/15/568572315.db2.gz FUWMLBTZASVOTF-UHFFFAOYSA-N 0 0 417.549 6.441 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccccc1C(C)(C)C ZINC000224168026 568572332 /nfs/dbraw/zinc/57/23/32/568572332.db2.gz MROPTCRIFFULPU-UHFFFAOYSA-N 0 0 417.549 6.441 40 0 HKABRN COc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccccc1C(C)(C)C ZINC000224168100 568572298 /nfs/dbraw/zinc/57/22/98/568572298.db2.gz UCLBORLTRKOBBZ-UHFFFAOYSA-N 0 0 417.549 6.441 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccccc1C(C)(C)C ZINC000224168255 568572292 /nfs/dbraw/zinc/57/22/92/568572292.db2.gz CTLDUEXOCSFMBN-UHFFFAOYSA-N 0 0 417.549 6.441 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccccc1C(C)(C)C ZINC000224168334 568572327 /nfs/dbraw/zinc/57/23/27/568572327.db2.gz KLXHCSVYVYIFFX-UHFFFAOYSA-N 0 0 417.549 6.441 40 0 HKABRN CCc1ccccc1NC(=O)c1ccc(OC)c(COc2ccccc2C(C)(C)C)c1 ZINC000224168407 568572268 /nfs/dbraw/zinc/57/22/68/568572268.db2.gz XANSHOUPIUWVKM-UHFFFAOYSA-N 0 0 417.549 6.386 40 0 HKABRN CCc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)(C)C)c2)cc1 ZINC000224168497 568572294 /nfs/dbraw/zinc/57/22/94/568572294.db2.gz FMPUTSFXOUAFID-UHFFFAOYSA-N 0 0 417.549 6.386 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccccc1C(C)(C)C ZINC000224168733 568572322 /nfs/dbraw/zinc/57/23/22/568572322.db2.gz CHDCCAZPZBGAJH-UHFFFAOYSA-N 0 0 407.485 5.963 40 0 HKABRN Cc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224168810 568572245 /nfs/dbraw/zinc/57/22/45/568572245.db2.gz RMNWVXICKDQKJG-QFIPXVFZSA-N 0 0 422.613 5.241 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccccc1C(C)(C)C ZINC000224168815 568572310 /nfs/dbraw/zinc/57/23/10/568572310.db2.gz XPTKHGUMVPCUOZ-UHFFFAOYSA-N 0 0 407.485 5.963 40 0 HKABRN Cc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224168874 568572313 /nfs/dbraw/zinc/57/23/13/568572313.db2.gz RMNWVXICKDQKJG-JOCHJYFZSA-N 0 0 422.613 5.241 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccccc1C(C)(C)C ZINC000224168893 568572246 /nfs/dbraw/zinc/57/22/46/568572246.db2.gz IJXLPPLTQBPTTA-UHFFFAOYSA-N 0 0 407.485 5.963 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccccc1C(C)(C)C ZINC000224168977 568572256 /nfs/dbraw/zinc/57/22/56/568572256.db2.gz CSQHWFQQQIOJSF-UHFFFAOYSA-N 0 0 423.940 6.477 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccccc1C(C)(C)C ZINC000224169059 568572325 /nfs/dbraw/zinc/57/23/25/568572325.db2.gz HSVZXEIWTCSODY-UHFFFAOYSA-N 0 0 423.940 6.477 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccccc1C(C)(C)C ZINC000224169133 568572330 /nfs/dbraw/zinc/57/23/30/568572330.db2.gz KPKSTEIJYVWFEU-UHFFFAOYSA-N 0 0 423.940 6.477 40 0 HKABRN COc1ccc2cc(S(=O)(=O)N[C@@H](c3ccccc3)c3ccccc3C)ccc2c1 ZINC000224169659 568572328 /nfs/dbraw/zinc/57/23/28/568572328.db2.gz VZPBAFKNJFSAJL-VWLOTQADSA-N 0 0 417.530 5.225 40 0 HKABRN COc1ccc2cc(S(=O)(=O)N[C@H](c3ccccc3)c3ccccc3C)ccc2c1 ZINC000224169715 568572258 /nfs/dbraw/zinc/57/22/58/568572258.db2.gz VZPBAFKNJFSAJL-RUZDIDTESA-N 0 0 417.530 5.225 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccccc1C(C)(C)C ZINC000224170934 568572396 /nfs/dbraw/zinc/57/23/96/568572396.db2.gz XTAYSBLYQDIUDV-UHFFFAOYSA-N 0 0 419.521 5.833 40 0 HKABRN COc1cccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)(C)C)c2)c1 ZINC000224171006 568572367 /nfs/dbraw/zinc/57/23/67/568572367.db2.gz ZULDOJUKMUCEGX-UHFFFAOYSA-N 0 0 419.521 5.833 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)(C)C)c2)cc1 ZINC000224171086 568572392 /nfs/dbraw/zinc/57/23/92/568572392.db2.gz JUPWZXFAKVMJRD-UHFFFAOYSA-N 0 0 419.521 5.833 40 0 HKABRN COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccccc1C(C)(C)C ZINC000224172925 568572344 /nfs/dbraw/zinc/57/23/44/568572344.db2.gz OIZUOXKCQBRCQN-UHFFFAOYSA-N 0 0 417.549 5.844 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1c1ccccc1 ZINC000224174107 568572465 /nfs/dbraw/zinc/57/24/65/568572465.db2.gz HQKLDGKQQPYHFS-XZOQPEGZSA-N 0 0 402.567 5.565 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1c1ccccc1 ZINC000224174149 568572521 /nfs/dbraw/zinc/57/25/21/568572521.db2.gz HQKLDGKQQPYHFS-DHIUTWEWSA-N 0 0 402.567 5.565 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1c1ccccc1 ZINC000224174189 568572548 /nfs/dbraw/zinc/57/25/48/568572548.db2.gz HQKLDGKQQPYHFS-GOTSBHOMSA-N 0 0 402.567 5.565 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1c1ccccc1 ZINC000224174234 568572543 /nfs/dbraw/zinc/57/25/43/568572543.db2.gz HQKLDGKQQPYHFS-PKTZIBPZSA-N 0 0 402.567 5.565 40 0 HKABRN Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1 ZINC000224174485 568572467 /nfs/dbraw/zinc/57/24/67/568572467.db2.gz LEZBOOPCRWHQDZ-DNQXCXABSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1 ZINC000224174524 568572478 /nfs/dbraw/zinc/57/24/78/568572478.db2.gz LEZBOOPCRWHQDZ-RPWUZVMVSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1 ZINC000224174571 568572540 /nfs/dbraw/zinc/57/25/40/568572540.db2.gz LEZBOOPCRWHQDZ-BJKOFHAPSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1 ZINC000224174622 568572496 /nfs/dbraw/zinc/57/24/96/568572496.db2.gz LEZBOOPCRWHQDZ-ZEQRLZLVSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 ZINC000224174699 568572494 /nfs/dbraw/zinc/57/24/94/568572494.db2.gz GYYDGUYDAUDQOA-DNQXCXABSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 ZINC000224174752 568572481 /nfs/dbraw/zinc/57/24/81/568572481.db2.gz GYYDGUYDAUDQOA-RPWUZVMVSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 ZINC000224174801 568572527 /nfs/dbraw/zinc/57/25/27/568572527.db2.gz GYYDGUYDAUDQOA-BJKOFHAPSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 ZINC000224174863 568572471 /nfs/dbraw/zinc/57/24/71/568572471.db2.gz GYYDGUYDAUDQOA-ZEQRLZLVSA-N 0 0 410.546 5.358 40 0 HKABRN Fc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1 ZINC000224175386 568572539 /nfs/dbraw/zinc/57/25/39/568572539.db2.gz NJWXYRWPZMCGOL-DHIUTWEWSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1 ZINC000224175438 568572541 /nfs/dbraw/zinc/57/25/41/568572541.db2.gz NJWXYRWPZMCGOL-PKTZIBPZSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1 ZINC000224175500 568572488 /nfs/dbraw/zinc/57/24/88/568572488.db2.gz NJWXYRWPZMCGOL-XZOQPEGZSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1 ZINC000224175557 568572535 /nfs/dbraw/zinc/57/25/35/568572535.db2.gz NJWXYRWPZMCGOL-GOTSBHOMSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 ZINC000224175629 568572492 /nfs/dbraw/zinc/57/24/92/568572492.db2.gz DXWRNCLCMUYORQ-DHIUTWEWSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 ZINC000224175677 568572451 /nfs/dbraw/zinc/57/24/51/568572451.db2.gz DXWRNCLCMUYORQ-PKTZIBPZSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 ZINC000224175730 568572454 /nfs/dbraw/zinc/57/24/54/568572454.db2.gz DXWRNCLCMUYORQ-XZOQPEGZSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 ZINC000224175787 568572525 /nfs/dbraw/zinc/57/25/25/568572525.db2.gz DXWRNCLCMUYORQ-GOTSBHOMSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 ZINC000224175841 568572448 /nfs/dbraw/zinc/57/24/48/568572448.db2.gz JODBUPGDYZABAC-DHIUTWEWSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 ZINC000224175895 568572469 /nfs/dbraw/zinc/57/24/69/568572469.db2.gz JODBUPGDYZABAC-PKTZIBPZSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 ZINC000224175945 568572600 /nfs/dbraw/zinc/57/26/00/568572600.db2.gz JODBUPGDYZABAC-XZOQPEGZSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 ZINC000224175999 568572575 /nfs/dbraw/zinc/57/25/75/568572575.db2.gz JODBUPGDYZABAC-GOTSBHOMSA-N 0 0 414.509 5.189 40 0 HKABRN COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccccc1C(C)(C)C ZINC000224176326 568572595 /nfs/dbraw/zinc/57/25/95/568572595.db2.gz ILEOUDUGYVDLLY-UHFFFAOYSA-N 0 0 423.597 6.414 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccccc1C(C)(C)C ZINC000224177064 568572607 /nfs/dbraw/zinc/57/26/07/568572607.db2.gz WJHZXIQXKOTDKZ-UHFFFAOYSA-N 0 0 421.512 5.641 40 0 HKABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc21 ZINC000224177271 568572557 /nfs/dbraw/zinc/57/25/57/568572557.db2.gz IQYHOJXKVXPMJV-RUZDIDTESA-N 0 0 416.565 5.024 40 0 HKABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc21 ZINC000224177317 568572563 /nfs/dbraw/zinc/57/25/63/568572563.db2.gz IQYHOJXKVXPMJV-VWLOTQADSA-N 0 0 416.565 5.024 40 0 HKABRN Cc1cc(NC(=O)CSCc2ccc(Cl)cc2F)ccc1Br ZINC000224178134 568572620 /nfs/dbraw/zinc/57/26/20/568572620.db2.gz QTJFNYHDBWMSCY-UHFFFAOYSA-N 0 0 402.716 5.422 40 0 HKABRN O=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)oc1ccccc12 ZINC000224178135 568572571 /nfs/dbraw/zinc/57/25/71/568572571.db2.gz MUSAJMMVHCDZJI-UHFFFAOYSA-N 0 0 406.290 5.835 40 0 HKABRN COc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224178265 568572614 /nfs/dbraw/zinc/57/26/14/568572614.db2.gz VDEGSLRMJVLVBR-UHFFFAOYSA-N 0 0 409.570 6.024 40 0 HKABRN COc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224178318 568572630 /nfs/dbraw/zinc/57/26/30/568572630.db2.gz GSDOGVADVKIWCH-UHFFFAOYSA-N 0 0 421.581 6.192 40 0 HKABRN COc1ccc(C(=O)NCc2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224178365 568572639 /nfs/dbraw/zinc/57/26/39/568572639.db2.gz ZRVDQHVRBAQREX-UHFFFAOYSA-N 0 0 403.522 5.502 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224178423 568572593 /nfs/dbraw/zinc/57/25/93/568572593.db2.gz ODTBPRKTTZSWJJ-UHFFFAOYSA-N 0 0 417.549 5.810 40 0 HKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1C ZINC000224178432 568572643 /nfs/dbraw/zinc/57/26/43/568572643.db2.gz YSVUTIKYTOOFDR-JWQCQUIFSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1C ZINC000224178489 568572618 /nfs/dbraw/zinc/57/26/18/568572618.db2.gz YSVUTIKYTOOFDR-RPBOFIJWSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1C ZINC000224178539 568572556 /nfs/dbraw/zinc/57/25/56/568572556.db2.gz YSVUTIKYTOOFDR-LOSJGSFVSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1C ZINC000224178592 568572559 /nfs/dbraw/zinc/57/25/59/568572559.db2.gz YSVUTIKYTOOFDR-DQEYMECFSA-N 0 0 424.573 5.666 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224178729 568572602 /nfs/dbraw/zinc/57/26/02/568572602.db2.gz DYCUFTLBUKQKHO-IBGZPJMESA-N 0 0 417.549 6.063 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224178773 568572742 /nfs/dbraw/zinc/57/27/42/568572742.db2.gz DYCUFTLBUKQKHO-LJQANCHMSA-N 0 0 417.549 6.063 40 0 HKABRN COc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224178849 568572692 /nfs/dbraw/zinc/57/26/92/568572692.db2.gz PPXOVOKTQVUUGR-UHFFFAOYSA-N 0 0 417.549 5.544 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2C)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224179263 568572740 /nfs/dbraw/zinc/57/27/40/568572740.db2.gz IFOMNOPZASFVMJ-UHFFFAOYSA-N 0 0 403.522 6.132 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224179321 568572722 /nfs/dbraw/zinc/57/27/22/568572722.db2.gz CCEPEEIOGUFETO-UHFFFAOYSA-N 0 0 403.522 6.132 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224179371 568572750 /nfs/dbraw/zinc/57/27/50/568572750.db2.gz JAFWXYKMLRHBGS-UHFFFAOYSA-N 0 0 403.522 6.132 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224179440 568572756 /nfs/dbraw/zinc/57/27/56/568572756.db2.gz OJOFECUHWKUAFK-UHFFFAOYSA-N 0 0 417.549 6.441 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224179521 568572669 /nfs/dbraw/zinc/57/26/69/568572669.db2.gz XDBDFEVHXLILIO-UHFFFAOYSA-N 0 0 417.549 6.441 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224179599 568572716 /nfs/dbraw/zinc/57/27/16/568572716.db2.gz DRULYVMZEWOKSW-UHFFFAOYSA-N 0 0 417.549 6.441 40 0 HKABRN COc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224179684 568572699 /nfs/dbraw/zinc/57/26/99/568572699.db2.gz RGFASZNGWKHYEQ-UHFFFAOYSA-N 0 0 417.549 6.441 40 0 HKABRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)oc1ccccc12 ZINC000224179777 568572724 /nfs/dbraw/zinc/57/27/24/568572724.db2.gz OAQYQFZRHNGFTE-UHFFFAOYSA-N 0 0 406.290 5.835 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224179832 568572738 /nfs/dbraw/zinc/57/27/38/568572738.db2.gz QZOFVVNZMPXJCG-UHFFFAOYSA-N 0 0 417.549 6.441 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224179915 568572766 /nfs/dbraw/zinc/57/27/66/568572766.db2.gz YBLPUPADEJCHHB-UHFFFAOYSA-N 0 0 417.549 6.441 40 0 HKABRN CCc1ccccc1NC(=O)c1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 ZINC000224179997 568572687 /nfs/dbraw/zinc/57/26/87/568572687.db2.gz JVZZBDNEMYSQIK-UHFFFAOYSA-N 0 0 417.549 6.386 40 0 HKABRN CCc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000224180080 568572762 /nfs/dbraw/zinc/57/27/62/568572762.db2.gz SEFFRPJISXOOBV-UHFFFAOYSA-N 0 0 417.549 6.386 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224180315 568572728 /nfs/dbraw/zinc/57/27/28/568572728.db2.gz BLAZHTIWFSPUOR-UHFFFAOYSA-N 0 0 407.485 5.963 40 0 HKABRN Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 ZINC000224180375 568572736 /nfs/dbraw/zinc/57/27/36/568572736.db2.gz VHXKNTVKPTXGDP-DHIUTWEWSA-N 0 0 415.493 5.658 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224180389 568572754 /nfs/dbraw/zinc/57/27/54/568572754.db2.gz XAPZPMDWIBBEKM-UHFFFAOYSA-N 0 0 407.485 5.963 40 0 HKABRN Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 ZINC000224180438 568572681 /nfs/dbraw/zinc/57/26/81/568572681.db2.gz VHXKNTVKPTXGDP-PKTZIBPZSA-N 0 0 415.493 5.658 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224180463 568572730 /nfs/dbraw/zinc/57/27/30/568572730.db2.gz WMAQKRALCWBQRE-UHFFFAOYSA-N 0 0 407.485 5.963 40 0 HKABRN Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 ZINC000224180492 568572665 /nfs/dbraw/zinc/57/26/65/568572665.db2.gz VHXKNTVKPTXGDP-XZOQPEGZSA-N 0 0 415.493 5.658 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224180555 568572828 /nfs/dbraw/zinc/57/28/28/568572828.db2.gz HEEBHUZCMVKIQP-UHFFFAOYSA-N 0 0 423.940 6.477 40 0 HKABRN Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 ZINC000224180558 568572855 /nfs/dbraw/zinc/57/28/55/568572855.db2.gz VHXKNTVKPTXGDP-GOTSBHOMSA-N 0 0 415.493 5.658 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224180625 568572793 /nfs/dbraw/zinc/57/27/93/568572793.db2.gz FUGQBFLXGIIWCI-UHFFFAOYSA-N 0 0 423.940 6.477 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224180708 568572826 /nfs/dbraw/zinc/57/28/26/568572826.db2.gz KQXJHVQAJXQEFI-UHFFFAOYSA-N 0 0 423.940 6.477 40 0 HKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 ZINC000224182094 568572860 /nfs/dbraw/zinc/57/28/60/568572860.db2.gz HGZRFIASGVZNFD-VWLOTQADSA-N 0 0 420.597 5.102 40 0 HKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 ZINC000224182153 568572813 /nfs/dbraw/zinc/57/28/13/568572813.db2.gz HGZRFIASGVZNFD-RUZDIDTESA-N 0 0 420.597 5.102 40 0 HKABRN Cc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C ZINC000224182352 568572831 /nfs/dbraw/zinc/57/28/31/568572831.db2.gz PPEAGWISGAOKQY-FQEVSTJZSA-N 0 0 400.522 5.366 40 0 HKABRN Cc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1C ZINC000224182408 568572866 /nfs/dbraw/zinc/57/28/66/568572866.db2.gz PPEAGWISGAOKQY-HXUWFJFHSA-N 0 0 400.522 5.366 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224182535 568572816 /nfs/dbraw/zinc/57/28/16/568572816.db2.gz MIPZJUOWOLYPRC-UHFFFAOYSA-N 0 0 419.521 5.833 40 0 HKABRN Cc1ccc(OCCNC(=O)CSCc2ccc(Cl)cc2Cl)cc1Cl ZINC000224182549 568572822 /nfs/dbraw/zinc/57/28/22/568572822.db2.gz SXMSBUIYCGXKSG-UHFFFAOYSA-N 0 0 418.773 5.384 40 0 HKABRN COc1cccc(NC(=O)c2ccc(OC)c(COc3ccc(C(C)(C)C)cc3)c2)c1 ZINC000224182617 568572837 /nfs/dbraw/zinc/57/28/37/568572837.db2.gz HAKIUQUFYBXWHR-UHFFFAOYSA-N 0 0 419.521 5.833 40 0 HKABRN Cc1ccc(OCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000224182629 568572844 /nfs/dbraw/zinc/57/28/44/568572844.db2.gz XRPPNZWOFOENFR-UHFFFAOYSA-N 0 0 418.773 5.384 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000224182697 568572824 /nfs/dbraw/zinc/57/28/24/568572824.db2.gz PEWVFQXMTRERBJ-UHFFFAOYSA-N 0 0 419.521 5.833 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(C)c(Cl)c1 ZINC000224184008 568572839 /nfs/dbraw/zinc/57/28/39/568572839.db2.gz FHNAWULMLKLMGS-OAQYLSRUSA-N 0 0 403.950 5.299 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(C)c(Cl)c1 ZINC000224184069 568572768 /nfs/dbraw/zinc/57/27/68/568572768.db2.gz FHNAWULMLKLMGS-NRFANRHFSA-N 0 0 403.950 5.299 40 0 HKABRN COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224184471 568572981 /nfs/dbraw/zinc/57/29/81/568572981.db2.gz CRWAQKMPGREULQ-UHFFFAOYSA-N 0 0 417.549 5.844 40 0 HKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 ZINC000224185075 568572986 /nfs/dbraw/zinc/57/29/86/568572986.db2.gz SKCNTPVNGITURY-VWLOTQADSA-N 0 0 420.597 5.021 40 0 HKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 ZINC000224185133 568572975 /nfs/dbraw/zinc/57/29/75/568572975.db2.gz SKCNTPVNGITURY-RUZDIDTESA-N 0 0 420.597 5.021 40 0 HKABRN O=S(=O)(Cc1ccc(Br)cc1)Nc1ccc2c(c1)oc1ccccc12 ZINC000224185516 568572984 /nfs/dbraw/zinc/57/29/84/568572984.db2.gz HUXGTHQXAIQIAA-UHFFFAOYSA-N 0 0 416.296 5.290 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1c1ccccc1 ZINC000224186032 568572919 /nfs/dbraw/zinc/57/29/19/568572919.db2.gz QKROYZJPWIWTBR-XZOQPEGZSA-N 0 0 402.567 5.565 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1c1ccccc1 ZINC000224186099 568572932 /nfs/dbraw/zinc/57/29/32/568572932.db2.gz QKROYZJPWIWTBR-DHIUTWEWSA-N 0 0 402.567 5.565 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1c1ccccc1 ZINC000224186147 568572967 /nfs/dbraw/zinc/57/29/67/568572967.db2.gz QKROYZJPWIWTBR-GOTSBHOMSA-N 0 0 402.567 5.565 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1c1ccccc1 ZINC000224186196 568572881 /nfs/dbraw/zinc/57/28/81/568572881.db2.gz QKROYZJPWIWTBR-PKTZIBPZSA-N 0 0 402.567 5.565 40 0 HKABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000224187354 568573079 /nfs/dbraw/zinc/57/30/79/568573079.db2.gz CDNQDTAMACREIV-GOSISDBHSA-N 0 0 413.568 5.243 40 0 HKABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000224187405 568573037 /nfs/dbraw/zinc/57/30/37/568573037.db2.gz CDNQDTAMACREIV-SFHVURJKSA-N 0 0 413.568 5.243 40 0 HKABRN COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224187860 568573093 /nfs/dbraw/zinc/57/30/93/568573093.db2.gz MZFGBPZBALACPT-UHFFFAOYSA-N 0 0 423.597 6.414 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224188633 568572992 /nfs/dbraw/zinc/57/29/92/568572992.db2.gz LTUMPXWWDKXENC-UHFFFAOYSA-N 0 0 421.512 5.641 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 ZINC000224188738 568573060 /nfs/dbraw/zinc/57/30/60/568573060.db2.gz RYNQLVWESJRWCK-LOSJGSFVSA-N 0 0 409.570 5.635 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 ZINC000224188790 568572999 /nfs/dbraw/zinc/57/29/99/568572999.db2.gz RYNQLVWESJRWCK-DQEYMECFSA-N 0 0 409.570 5.635 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 ZINC000224188842 568573088 /nfs/dbraw/zinc/57/30/88/568573088.db2.gz RYNQLVWESJRWCK-JWQCQUIFSA-N 0 0 409.570 5.635 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 ZINC000224188897 568573033 /nfs/dbraw/zinc/57/30/33/568573033.db2.gz RYNQLVWESJRWCK-RPBOFIJWSA-N 0 0 409.570 5.635 40 0 HKABRN Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224189120 568573042 /nfs/dbraw/zinc/57/30/42/568573042.db2.gz JKJXLRKSODGTOF-UHFFFAOYSA-N 0 0 422.550 5.196 40 0 HKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C ZINC000224190207 568573142 /nfs/dbraw/zinc/57/31/42/568573142.db2.gz WVEASYQMALLYKO-VWLOTQADSA-N 0 0 420.597 5.021 40 0 HKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C ZINC000224190267 568573183 /nfs/dbraw/zinc/57/31/83/568573183.db2.gz WVEASYQMALLYKO-RUZDIDTESA-N 0 0 420.597 5.021 40 0 HKABRN COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1cc(C)cc(C)c1 ZINC000224190268 568573186 /nfs/dbraw/zinc/57/31/86/568573186.db2.gz TZLRKLDTEBNWNB-UHFFFAOYSA-N 0 0 409.913 5.474 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1 ZINC000224190345 568573106 /nfs/dbraw/zinc/57/31/06/568573106.db2.gz OEBNLUWNYMZNKT-UHFFFAOYSA-N 0 0 409.913 5.474 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2)c1 ZINC000224191787 568573146 /nfs/dbraw/zinc/57/31/46/568573146.db2.gz WFSOMITXWKKSED-UHFFFAOYSA-N 0 0 403.522 6.014 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1cc(C)cc(C)c1 ZINC000224192196 568573188 /nfs/dbraw/zinc/57/31/88/568573188.db2.gz BVVMSSHOPUMUTM-UHFFFAOYSA-N 0 0 403.522 6.267 40 0 HKABRN COc1ccc(C(=O)Nc2cccc3ccccc32)cc1COc1cc(C)cc(C)c1 ZINC000224192273 568573112 /nfs/dbraw/zinc/57/31/12/568573112.db2.gz XZWJMMROVVVWNJ-UHFFFAOYSA-N 0 0 411.501 6.297 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1cc(C)cc(C)c1 ZINC000224193081 568573114 /nfs/dbraw/zinc/57/31/14/568573114.db2.gz NRGMUXIPZOUJML-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1cc(C)cc(C)c1 ZINC000224193151 568573133 /nfs/dbraw/zinc/57/31/33/568573133.db2.gz UKEGCEXWLKPJAL-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1cc(C)cc(C)c1 ZINC000224193224 568573149 /nfs/dbraw/zinc/57/31/49/568573149.db2.gz FUQOXRBDWTZVQD-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1cc(C)cc(C)c1 ZINC000224193295 568573131 /nfs/dbraw/zinc/57/31/31/568573131.db2.gz KYPQJOJVVNGEBR-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1cc(C)cc(C)c1 ZINC000224194114 568573268 /nfs/dbraw/zinc/57/32/68/568573268.db2.gz JESDEXFHEBCYCG-UHFFFAOYSA-N 0 0 413.876 5.936 40 0 HKABRN Cc1cc(C(=O)Nc2ccccc2C(C)C)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224194388 568573192 /nfs/dbraw/zinc/57/31/92/568573192.db2.gz NCRDEEAGUBJMOA-UHFFFAOYSA-N 0 0 422.550 5.196 40 0 HKABRN CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2)c1 ZINC000224194805 568573208 /nfs/dbraw/zinc/57/32/08/568573208.db2.gz JGHIALUEJYFOOV-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3)c2)cc1 ZINC000224194879 568573247 /nfs/dbraw/zinc/57/32/47/568573247.db2.gz NDEGOMVYQCGNCQ-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3)c2)c(OC)c1 ZINC000224195115 568573217 /nfs/dbraw/zinc/57/32/17/568573217.db2.gz SIMZLHDEWNQQCI-UHFFFAOYSA-N 0 0 421.493 5.161 40 0 HKABRN COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3)c2)c1 ZINC000224195186 568573219 /nfs/dbraw/zinc/57/32/19/568573219.db2.gz RIQGDLXPCKYVHH-UHFFFAOYSA-N 0 0 421.493 5.161 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1cc(C)cc(C)c1 ZINC000224195264 568573204 /nfs/dbraw/zinc/57/32/04/568573204.db2.gz IXWXJYQIHCDOOW-UHFFFAOYSA-N 0 0 421.493 5.161 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1cc(C)cc(C)c1 ZINC000224195491 568573266 /nfs/dbraw/zinc/57/32/66/568573266.db2.gz UUQOIUOMNBBIEN-UHFFFAOYSA-N 0 0 405.494 5.460 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1cc(C)cc(C)c1 ZINC000224195724 568573243 /nfs/dbraw/zinc/57/32/43/568573243.db2.gz SYVYWYLJKBAUBD-UHFFFAOYSA-N 0 0 407.535 5.865 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1C1CC1 ZINC000224195881 568573221 /nfs/dbraw/zinc/57/32/21/568573221.db2.gz KXYYIEHMXZGZRZ-DHIUTWEWSA-N 0 0 402.567 5.320 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1C1CC1 ZINC000224195929 568573304 /nfs/dbraw/zinc/57/33/04/568573304.db2.gz KXYYIEHMXZGZRZ-PKTZIBPZSA-N 0 0 402.567 5.320 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1C1CC1 ZINC000224195983 568573380 /nfs/dbraw/zinc/57/33/80/568573380.db2.gz KXYYIEHMXZGZRZ-XZOQPEGZSA-N 0 0 402.567 5.320 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1C1CC1 ZINC000224196032 568573305 /nfs/dbraw/zinc/57/33/05/568573305.db2.gz KXYYIEHMXZGZRZ-GOTSBHOMSA-N 0 0 402.567 5.320 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1cc(C)cc(C)c1 ZINC000224196191 568573331 /nfs/dbraw/zinc/57/33/31/568573331.db2.gz XXUCUGITPACHIT-UHFFFAOYSA-N 0 0 403.478 5.346 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1cc(C)cc(C)c1 ZINC000224196354 568573347 /nfs/dbraw/zinc/57/33/47/568573347.db2.gz CUXZFSOLLJZENM-UHFFFAOYSA-N 0 0 418.493 5.102 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)cc1 ZINC000224197089 568573307 /nfs/dbraw/zinc/57/33/07/568573307.db2.gz XYWCLDZACZXHSH-DQEYMECFSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)cc1 ZINC000224197172 568573341 /nfs/dbraw/zinc/57/33/41/568573341.db2.gz XYWCLDZACZXHSH-RPBOFIJWSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)cc1 ZINC000224197218 568573330 /nfs/dbraw/zinc/57/33/30/568573330.db2.gz XYWCLDZACZXHSH-LOSJGSFVSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)cc1 ZINC000224197275 568573324 /nfs/dbraw/zinc/57/33/24/568573324.db2.gz XYWCLDZACZXHSH-JWQCQUIFSA-N 0 0 424.573 5.666 40 0 HKABRN COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1cc(C)cc(C)c1 ZINC000224198102 568573343 /nfs/dbraw/zinc/57/33/43/568573343.db2.gz BUTGCLVJSYSDDT-UHFFFAOYSA-N 0 0 401.506 5.090 40 0 HKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000224198139 568573339 /nfs/dbraw/zinc/57/33/39/568573339.db2.gz RCNYSIMWURIWDP-VWLOTQADSA-N 0 0 420.597 5.021 40 0 HKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000224198194 568573306 /nfs/dbraw/zinc/57/33/06/568573306.db2.gz RCNYSIMWURIWDP-RUZDIDTESA-N 0 0 420.597 5.021 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1 ZINC000224198547 568573459 /nfs/dbraw/zinc/57/34/59/568573459.db2.gz VXEZKNSLHFFMIX-GOTSBHOMSA-N 0 0 414.534 5.010 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1 ZINC000224198595 568573470 /nfs/dbraw/zinc/57/34/70/568573470.db2.gz VXEZKNSLHFFMIX-PKTZIBPZSA-N 0 0 414.534 5.010 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3)c2)cc1 ZINC000224198623 568573441 /nfs/dbraw/zinc/57/34/41/568573441.db2.gz AJBGUTLGFKMZLS-UHFFFAOYSA-N 0 0 417.549 6.486 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1 ZINC000224198636 568573486 /nfs/dbraw/zinc/57/34/86/568573486.db2.gz VXEZKNSLHFFMIX-XZOQPEGZSA-N 0 0 414.534 5.010 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1 ZINC000224198683 568573491 /nfs/dbraw/zinc/57/34/91/568573491.db2.gz VXEZKNSLHFFMIX-DHIUTWEWSA-N 0 0 414.534 5.010 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1cc(C)cc(C)c1 ZINC000224198697 568573456 /nfs/dbraw/zinc/57/34/56/568573456.db2.gz JUENBQIYTPPTKS-UHFFFAOYSA-N 0 0 407.535 5.865 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 ZINC000224198744 568573430 /nfs/dbraw/zinc/57/34/30/568573430.db2.gz LEVSKZPKBZLCGZ-GOTSBHOMSA-N 0 0 402.567 5.484 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 ZINC000224198799 568573488 /nfs/dbraw/zinc/57/34/88/568573488.db2.gz LEVSKZPKBZLCGZ-PKTZIBPZSA-N 0 0 402.567 5.484 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 ZINC000224198832 568573414 /nfs/dbraw/zinc/57/34/14/568573414.db2.gz LEVSKZPKBZLCGZ-XZOQPEGZSA-N 0 0 402.567 5.484 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 ZINC000224198884 568573493 /nfs/dbraw/zinc/57/34/93/568573493.db2.gz LEVSKZPKBZLCGZ-DHIUTWEWSA-N 0 0 402.567 5.484 40 0 HKABRN COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1cc(C)cc(C)c1 ZINC000224198930 568573420 /nfs/dbraw/zinc/57/34/20/568573420.db2.gz FKQQGTVUIPFNSW-UHFFFAOYSA-N 0 0 403.522 6.069 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2)c1 ZINC000224199008 568573473 /nfs/dbraw/zinc/57/34/73/568573473.db2.gz QSMRNARHXJVKBS-UHFFFAOYSA-N 0 0 417.549 6.268 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1cc(C)cc(C)c1 ZINC000224199396 568573416 /nfs/dbraw/zinc/57/34/16/568573416.db2.gz XBIRBBLNOBIABN-UHFFFAOYSA-N 0 0 418.493 5.102 40 0 HKABRN CCc1ccc(CC)c(CNC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 ZINC000224199609 568573471 /nfs/dbraw/zinc/57/34/71/568573471.db2.gz ZDQVXAAEWPBKJL-UHFFFAOYSA-N 0 0 407.941 5.974 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1cc(C)cc(C)c1 ZINC000224199883 568573410 /nfs/dbraw/zinc/57/34/10/568573410.db2.gz WVQMTFQFNZVFAM-NRFANRHFSA-N 0 0 417.549 5.642 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1C(C)C ZINC000224199894 568573481 /nfs/dbraw/zinc/57/34/81/568573481.db2.gz MGSXXCLDKIUBAU-DHIUTWEWSA-N 0 0 404.583 5.566 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1cc(C)cc(C)c1 ZINC000224199931 568573453 /nfs/dbraw/zinc/57/34/53/568573453.db2.gz WVQMTFQFNZVFAM-OAQYLSRUSA-N 0 0 417.549 5.642 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1C(C)C ZINC000224199937 568573412 /nfs/dbraw/zinc/57/34/12/568573412.db2.gz MGSXXCLDKIUBAU-PKTZIBPZSA-N 0 0 404.583 5.566 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1C(C)C ZINC000224199976 568573466 /nfs/dbraw/zinc/57/34/66/568573466.db2.gz MGSXXCLDKIUBAU-XZOQPEGZSA-N 0 0 404.583 5.566 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1C(C)C ZINC000224200025 568573625 /nfs/dbraw/zinc/57/36/25/568573625.db2.gz MGSXXCLDKIUBAU-GOTSBHOMSA-N 0 0 404.583 5.566 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1 ZINC000224200449 568573573 /nfs/dbraw/zinc/57/35/73/568573573.db2.gz AOSIDKSMSIIHMG-SFHVURJKSA-N 0 0 423.940 6.035 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1 ZINC000224200508 568573567 /nfs/dbraw/zinc/57/35/67/568573567.db2.gz AOSIDKSMSIIHMG-GOSISDBHSA-N 0 0 423.940 6.035 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1cc(C)cc(C)c1 ZINC000224200742 568573532 /nfs/dbraw/zinc/57/35/32/568573532.db2.gz ZPFXNDSSKABZCB-SFHVURJKSA-N 0 0 407.485 5.521 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1cc(C)cc(C)c1 ZINC000224200800 568573591 /nfs/dbraw/zinc/57/35/91/568573591.db2.gz ZPFXNDSSKABZCB-GOSISDBHSA-N 0 0 407.485 5.521 40 0 HKABRN Cc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224201245 568573627 /nfs/dbraw/zinc/57/36/27/568573627.db2.gz OTQNTDXQIOKUPW-QFIPXVFZSA-N 0 0 422.613 5.241 40 0 HKABRN Cc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224201301 568573609 /nfs/dbraw/zinc/57/36/09/568573609.db2.gz OTQNTDXQIOKUPW-JOCHJYFZSA-N 0 0 422.613 5.241 40 0 HKABRN COc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccc(Cl)c(C)c1 ZINC000224201827 568573563 /nfs/dbraw/zinc/57/35/63/568573563.db2.gz IHIDHIFEAJDRHC-UHFFFAOYSA-N 0 0 401.934 5.689 40 0 HKABRN COc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccc(Cl)c(C)c1 ZINC000224201899 568573560 /nfs/dbraw/zinc/57/35/60/568573560.db2.gz AKGRGRBWOCVSDD-UHFFFAOYSA-N 0 0 413.945 5.856 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccc(Cl)c(C)c1 ZINC000224202064 568573619 /nfs/dbraw/zinc/57/36/19/568573619.db2.gz XICKBVKANJZXME-UHFFFAOYSA-N 0 0 409.913 5.474 40 0 HKABRN O=C(COc1ccc2c(c1)CCCC2)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000224202393 568573579 /nfs/dbraw/zinc/57/35/79/568573579.db2.gz JTQMADHAYRFGHG-UHFFFAOYSA-N 0 0 407.897 6.029 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccc(Cl)c(C)c1 ZINC000224202461 568573569 /nfs/dbraw/zinc/57/35/69/568573569.db2.gz VQFIGLNQDPBDTH-KRWDZBQOSA-N 0 0 409.913 5.727 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccc(Cl)c(C)c1 ZINC000224202504 568573530 /nfs/dbraw/zinc/57/35/30/568573530.db2.gz VQFIGLNQDPBDTH-QGZVFWFLSA-N 0 0 409.913 5.727 40 0 HKABRN COc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc(Cl)c(C)c1 ZINC000224202582 568573547 /nfs/dbraw/zinc/57/35/47/568573547.db2.gz RSUXZUVMVWRWAM-UHFFFAOYSA-N 0 0 409.913 5.209 40 0 HKABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000224202798 568573529 /nfs/dbraw/zinc/57/35/29/568573529.db2.gz CKHPATVQEKVOTE-GFCCVEGCSA-N 0 0 422.000 5.603 40 0 HKABRN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000224202849 568573593 /nfs/dbraw/zinc/57/35/93/568573593.db2.gz CKHPATVQEKVOTE-LBPRGKRZSA-N 0 0 422.000 5.603 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccc(Cl)c(C)c1 ZINC000224203274 568573668 /nfs/dbraw/zinc/57/36/68/568573668.db2.gz AOJJRSRPORGCDK-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccc(Cl)c(C)c1 ZINC000224203346 568573695 /nfs/dbraw/zinc/57/36/95/568573695.db2.gz ZMTAJQODFUGJKF-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccc(Cl)c(C)c1 ZINC000224203415 568573718 /nfs/dbraw/zinc/57/37/18/568573718.db2.gz WJUAELPWWCGLMQ-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN COc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccc(Cl)c(C)c1 ZINC000224203487 568573707 /nfs/dbraw/zinc/57/37/07/568573707.db2.gz HUIYMHVAMMOVFE-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2ccc(Cl)c(C)c2)c1 ZINC000224203553 568573698 /nfs/dbraw/zinc/57/36/98/568573698.db2.gz AVONPOSDTLSWNW-UHFFFAOYSA-N 0 0 423.940 6.359 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccc(Cl)c(C)c1 ZINC000224203637 568573670 /nfs/dbraw/zinc/57/36/70/568573670.db2.gz SPMQUIGEOXVVPF-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccc(Cl)c(C)c1 ZINC000224203715 568573714 /nfs/dbraw/zinc/57/37/14/568573714.db2.gz VFHNDILJISYPPC-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN CCc1ccccc1NC(=O)c1ccc(OC)c(COc2ccc(Cl)c(C)c2)c1 ZINC000224203791 568573681 /nfs/dbraw/zinc/57/36/81/568573681.db2.gz KUTLAMPDFOYBAF-UHFFFAOYSA-N 0 0 409.913 6.051 40 0 HKABRN CCc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(Cl)c(C)c3)c2)cc1 ZINC000224203865 568573722 /nfs/dbraw/zinc/57/37/22/568573722.db2.gz MQMDXEMXZGLJHG-UHFFFAOYSA-N 0 0 409.913 6.051 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccc(Cl)c(C)c1 ZINC000224203941 568573666 /nfs/dbraw/zinc/57/36/66/568573666.db2.gz WDBOKRLTWGLKCI-UHFFFAOYSA-N 0 0 423.940 6.612 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccc(Cl)c(C)c1 ZINC000224204331 568573724 /nfs/dbraw/zinc/57/37/24/568573724.db2.gz HQFOEBMWAJDSGB-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccc(Cl)c(C)c1 ZINC000224204412 568573696 /nfs/dbraw/zinc/57/36/96/568573696.db2.gz INCMGGWOCATKDY-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccc(Cl)c(C)c1 ZINC000224204491 568573716 /nfs/dbraw/zinc/57/37/16/568573716.db2.gz KGHFMZOQMMYBQE-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccc(Cl)c(C)c1 ZINC000224205609 568573655 /nfs/dbraw/zinc/57/36/55/568573655.db2.gz XSBPGKHMYOWYHF-UHFFFAOYSA-N 0 0 417.839 5.767 40 0 HKABRN COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccc(Cl)c(C)c1 ZINC000224205697 568573642 /nfs/dbraw/zinc/57/36/42/568573642.db2.gz DUOCPCDPTIVRGN-UHFFFAOYSA-N 0 0 417.839 5.767 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccc(Cl)c(C)c1 ZINC000224206329 568573751 /nfs/dbraw/zinc/57/37/51/568573751.db2.gz UPSGPYVNKAJCKN-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN COc1cccc(NC(=O)c2ccc(OC)c(COc3ccc(Cl)c(C)c3)c2)c1 ZINC000224206405 568573749 /nfs/dbraw/zinc/57/37/49/568573749.db2.gz JSMYECQBRMYSHG-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(Cl)c(C)c3)c2)cc1 ZINC000224206472 568573782 /nfs/dbraw/zinc/57/37/82/568573782.db2.gz PTVWDQBNDLGDEE-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccc(Cl)c(C)c1 ZINC000224207942 568573747 /nfs/dbraw/zinc/57/37/47/568573747.db2.gz KKGBEVGWKPGDJN-UHFFFAOYSA-N 0 0 423.896 5.691 40 0 HKABRN COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccc(Cl)c(C)c1 ZINC000224208236 568573819 /nfs/dbraw/zinc/57/38/19/568573819.db2.gz FYKRXGJOOOSWPG-UHFFFAOYSA-N 0 0 409.913 5.508 40 0 HKABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000224208512 568573803 /nfs/dbraw/zinc/57/38/03/568573803.db2.gz JQWAFTLYVLEWMA-XMMPIXPASA-N 0 0 422.613 5.169 40 0 HKABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000224208564 568573821 /nfs/dbraw/zinc/57/38/21/568573821.db2.gz JQWAFTLYVLEWMA-DEOSSOPVSA-N 0 0 422.613 5.169 40 0 HKABRN COc1ccc(CCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1C ZINC000224208975 568573776 /nfs/dbraw/zinc/57/37/76/568573776.db2.gz VSHNHVVIVVPVOC-UHFFFAOYSA-N 0 0 412.382 5.293 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 ZINC000224209786 568573742 /nfs/dbraw/zinc/57/37/42/568573742.db2.gz IQKLTWZPCSJBTH-ZEQRLZLVSA-N 0 0 416.594 5.874 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 ZINC000224209832 568573823 /nfs/dbraw/zinc/57/38/23/568573823.db2.gz IQKLTWZPCSJBTH-RPWUZVMVSA-N 0 0 416.594 5.874 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 ZINC000224209873 568573787 /nfs/dbraw/zinc/57/37/87/568573787.db2.gz IQKLTWZPCSJBTH-BJKOFHAPSA-N 0 0 416.594 5.874 40 0 HKABRN COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc(Cl)c(C)c1 ZINC000224209918 568573761 /nfs/dbraw/zinc/57/37/61/568573761.db2.gz ACCYHLOKVMXUNK-UHFFFAOYSA-N 0 0 421.924 5.435 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 ZINC000224209922 568573804 /nfs/dbraw/zinc/57/38/04/568573804.db2.gz IQKLTWZPCSJBTH-DNQXCXABSA-N 0 0 416.594 5.874 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 ZINC000224209958 568573885 /nfs/dbraw/zinc/57/38/85/568573885.db2.gz CCLCBINVJHOVNN-ZEQRLZLVSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 ZINC000224210009 568573876 /nfs/dbraw/zinc/57/38/76/568573876.db2.gz CCLCBINVJHOVNN-RPWUZVMVSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 ZINC000224210042 568573950 /nfs/dbraw/zinc/57/39/50/568573950.db2.gz CCLCBINVJHOVNN-BJKOFHAPSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 ZINC000224210090 568573849 /nfs/dbraw/zinc/57/38/49/568573849.db2.gz CCLCBINVJHOVNN-DNQXCXABSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)cc1 ZINC000224210148 568573908 /nfs/dbraw/zinc/57/39/08/568573908.db2.gz AZJQYFSTAVCIDJ-DQEYMECFSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)cc1 ZINC000224210199 568573851 /nfs/dbraw/zinc/57/38/51/568573851.db2.gz AZJQYFSTAVCIDJ-RPBOFIJWSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)cc1 ZINC000224210229 568573948 /nfs/dbraw/zinc/57/39/48/568573948.db2.gz AZJQYFSTAVCIDJ-LOSJGSFVSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)cc1 ZINC000224210275 568573942 /nfs/dbraw/zinc/57/39/42/568573942.db2.gz AZJQYFSTAVCIDJ-JWQCQUIFSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)cc1 ZINC000224210336 568573937 /nfs/dbraw/zinc/57/39/37/568573937.db2.gz KEEJAJKQDYIUNG-JWQCQUIFSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)cc1 ZINC000224210387 568573944 /nfs/dbraw/zinc/57/39/44/568573944.db2.gz KEEJAJKQDYIUNG-RPBOFIJWSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)cc1 ZINC000224210425 568573860 /nfs/dbraw/zinc/57/38/60/568573860.db2.gz KEEJAJKQDYIUNG-LOSJGSFVSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)cc1 ZINC000224210479 568573872 /nfs/dbraw/zinc/57/38/72/568573872.db2.gz KEEJAJKQDYIUNG-DQEYMECFSA-N 0 0 424.573 5.666 40 0 HKABRN COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc(Cl)c(C)c1 ZINC000224210828 568573920 /nfs/dbraw/zinc/57/39/20/568573920.db2.gz YTQZDPPOKFTYDO-UHFFFAOYSA-N 0 0 423.940 6.414 40 0 HKABRN COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccc(Cl)c(C)c1 ZINC000224211847 568573922 /nfs/dbraw/zinc/57/39/22/568573922.db2.gz ORKJKCJSPLXRGH-UHFFFAOYSA-N 0 0 415.961 6.079 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccc(Cl)c(C)c1 ZINC000224212553 568573906 /nfs/dbraw/zinc/57/39/06/568573906.db2.gz USFJGCHFEBIUAQ-UHFFFAOYSA-N 0 0 413.876 5.305 40 0 HKABRN COc1ccc(C(=O)NC2CCCC2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224213683 568573918 /nfs/dbraw/zinc/57/39/18/568573918.db2.gz DLUFGEBAAZWUPT-UHFFFAOYSA-N 0 0 401.506 5.614 40 0 HKABRN COc1ccc(C(=O)NC2CCCCC2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224213751 568573904 /nfs/dbraw/zinc/57/39/04/568573904.db2.gz VFTQLIOEKOWEHT-UHFFFAOYSA-N 0 0 415.533 6.004 40 0 HKABRN COc1ccc(C(=O)NCc2ccccc2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224213947 568574033 /nfs/dbraw/zinc/57/40/33/568574033.db2.gz ZHOARTIBDGAODG-UHFFFAOYSA-N 0 0 423.512 5.871 40 0 HKABRN O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc2c(c1)oc1ccccc12 ZINC000224214210 568574004 /nfs/dbraw/zinc/57/40/04/568574004.db2.gz DODQLFYGINLLCN-UHFFFAOYSA-N 0 0 406.290 5.835 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000224214662 568573994 /nfs/dbraw/zinc/57/39/94/568573994.db2.gz UZDYNFOCDDCMID-ZEQRLZLVSA-N 0 0 411.530 5.827 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000224214711 568573995 /nfs/dbraw/zinc/57/39/95/568573995.db2.gz UZDYNFOCDDCMID-RPWUZVMVSA-N 0 0 411.530 5.827 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000224214755 568574009 /nfs/dbraw/zinc/57/40/09/568574009.db2.gz UZDYNFOCDDCMID-BJKOFHAPSA-N 0 0 411.530 5.827 40 0 HKABRN COc1ccc(C(=O)NCc2ccco2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224214795 568574038 /nfs/dbraw/zinc/57/40/38/568574038.db2.gz FKGBYNMCQWCOFO-UHFFFAOYSA-N 0 0 413.473 5.464 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000224214808 568573962 /nfs/dbraw/zinc/57/39/62/568573962.db2.gz UZDYNFOCDDCMID-DNQXCXABSA-N 0 0 411.530 5.827 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224215018 568573981 /nfs/dbraw/zinc/57/39/81/568573981.db2.gz LRXMCQCCBSYPOP-UHFFFAOYSA-N 0 0 409.485 6.194 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2C)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224215101 568573967 /nfs/dbraw/zinc/57/39/67/568573967.db2.gz OJZXUDNQVSFULO-UHFFFAOYSA-N 0 0 423.512 6.502 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224215181 568573979 /nfs/dbraw/zinc/57/39/79/568573979.db2.gz DAAKMSQHUYTLQT-UHFFFAOYSA-N 0 0 423.512 6.502 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224215272 568573988 /nfs/dbraw/zinc/57/39/88/568573988.db2.gz JSQGOCFFWSJUAL-UHFFFAOYSA-N 0 0 423.512 6.502 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000224219313 568574114 /nfs/dbraw/zinc/57/41/14/568574114.db2.gz FTMUMXSFMLCYAK-GOTSBHOMSA-N 0 0 402.567 5.484 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000224219355 568574149 /nfs/dbraw/zinc/57/41/49/568574149.db2.gz FTMUMXSFMLCYAK-PKTZIBPZSA-N 0 0 402.567 5.484 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000224219392 568574069 /nfs/dbraw/zinc/57/40/69/568574069.db2.gz FTMUMXSFMLCYAK-XZOQPEGZSA-N 0 0 402.567 5.484 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000224219432 568574131 /nfs/dbraw/zinc/57/41/31/568574131.db2.gz FTMUMXSFMLCYAK-DHIUTWEWSA-N 0 0 402.567 5.484 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000224219494 568574147 /nfs/dbraw/zinc/57/41/47/568574147.db2.gz GICHSTNSALIDDC-ZEQRLZLVSA-N 0 0 416.594 5.874 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000224219542 568574129 /nfs/dbraw/zinc/57/41/29/568574129.db2.gz GICHSTNSALIDDC-RPWUZVMVSA-N 0 0 416.594 5.874 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000224219575 568574144 /nfs/dbraw/zinc/57/41/44/568574144.db2.gz GICHSTNSALIDDC-BJKOFHAPSA-N 0 0 416.594 5.874 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000224219624 568574098 /nfs/dbraw/zinc/57/40/98/568574098.db2.gz GICHSTNSALIDDC-DNQXCXABSA-N 0 0 416.594 5.874 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000224219683 568574143 /nfs/dbraw/zinc/57/41/43/568574143.db2.gz LTQZDZZFUWQHGG-ZEQRLZLVSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000224219741 568574082 /nfs/dbraw/zinc/57/40/82/568574082.db2.gz LTQZDZZFUWQHGG-RPWUZVMVSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000224219771 568574099 /nfs/dbraw/zinc/57/40/99/568574099.db2.gz LTQZDZZFUWQHGG-BJKOFHAPSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000224219828 568574079 /nfs/dbraw/zinc/57/40/79/568574079.db2.gz LTQZDZZFUWQHGG-DNQXCXABSA-N 0 0 410.546 5.358 40 0 HKABRN COc1ccc(C(=O)N2CCCCC2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224220481 568574103 /nfs/dbraw/zinc/57/41/03/568574103.db2.gz JLLFPINIYGNUTK-UHFFFAOYSA-N 0 0 401.506 5.567 40 0 HKABRN COc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224220561 568574115 /nfs/dbraw/zinc/57/41/15/568574115.db2.gz BEFFHHPVGVRUKW-UHFFFAOYSA-N 0 0 415.533 5.813 40 0 HKABRN COc1ccc(C(=O)N2CCCCCC2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224220855 568574137 /nfs/dbraw/zinc/57/41/37/568574137.db2.gz VIIKRVURQNZATA-UHFFFAOYSA-N 0 0 415.533 5.957 40 0 HKABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc21 ZINC000224221277 568574199 /nfs/dbraw/zinc/57/41/99/568574199.db2.gz DIDJCWLAKFVRGW-RUZDIDTESA-N 0 0 416.565 5.024 40 0 HKABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc21 ZINC000224221332 568574204 /nfs/dbraw/zinc/57/42/04/568574204.db2.gz DIDJCWLAKFVRGW-VWLOTQADSA-N 0 0 416.565 5.024 40 0 HKABRN CCCCCNC(=O)c1ccc(OC)c(COc2ccc(-c3ccccc3)cc2)c1 ZINC000224222640 568574206 /nfs/dbraw/zinc/57/42/06/568574206.db2.gz AZMBUQMOTNHLOU-UHFFFAOYSA-N 0 0 403.522 5.861 40 0 HKABRN COc1ccc(C(=O)NCCC(C)C)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224222704 568574200 /nfs/dbraw/zinc/57/42/00/568574200.db2.gz AUPJNSXZIFBUGI-UHFFFAOYSA-N 0 0 403.522 5.717 40 0 HKABRN CCC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccc(-c3ccccc3)cc2)c1 ZINC000224222785 568574193 /nfs/dbraw/zinc/57/41/93/568574193.db2.gz NVPWKUGEZYXHOW-LJQANCHMSA-N 0 0 403.522 5.860 40 0 HKABRN CCC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccc(-c3ccccc3)cc2)c1 ZINC000224222831 568574224 /nfs/dbraw/zinc/57/42/24/568574224.db2.gz NVPWKUGEZYXHOW-IBGZPJMESA-N 0 0 403.522 5.860 40 0 HKABRN O=C(COc1cccc2c1CCCC2)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000224223248 568574215 /nfs/dbraw/zinc/57/42/15/568574215.db2.gz BZWLRYQELKTZAC-UHFFFAOYSA-N 0 0 424.393 5.301 40 0 HKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 ZINC000224224947 568574340 /nfs/dbraw/zinc/57/43/40/568574340.db2.gz UBULTFAISMNJRQ-VWLOTQADSA-N 0 0 420.597 5.102 40 0 HKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 ZINC000224225004 568574327 /nfs/dbraw/zinc/57/43/27/568574327.db2.gz UBULTFAISMNJRQ-RUZDIDTESA-N 0 0 420.597 5.102 40 0 HKABRN COc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccccc1C(C)C ZINC000224226401 568574453 /nfs/dbraw/zinc/57/44/53/568574453.db2.gz NBLMCWPNKDGUEM-UHFFFAOYSA-N 0 0 407.554 6.018 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccccc1C(C)C ZINC000224226545 568574414 /nfs/dbraw/zinc/57/44/14/568574414.db2.gz COBKTOIPMLPTQU-UHFFFAOYSA-N 0 0 403.522 5.636 40 0 HKABRN COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccccc1C(C)C ZINC000224226616 568574431 /nfs/dbraw/zinc/57/44/31/568574431.db2.gz MFQGUFOAMFQZET-UHFFFAOYSA-N 0 0 423.940 5.981 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccccc1C(C)C ZINC000224226686 568574412 /nfs/dbraw/zinc/57/44/12/568574412.db2.gz GBEDIRKQBJYBEK-UHFFFAOYSA-N 0 0 423.940 5.981 40 0 HKABRN O=C(Cc1cccc(Cl)c1)Nc1ccccc1SCc1ccc(Cl)cc1 ZINC000224226727 568574442 /nfs/dbraw/zinc/57/44/42/568574442.db2.gz FSSLHKMOEYPXBY-UHFFFAOYSA-N 0 0 402.346 6.467 40 0 HKABRN COc1ccc(CNC(=O)c2ccc(OC)c(COc3ccccc3C(C)C)c2)cc1 ZINC000224226827 568574418 /nfs/dbraw/zinc/57/44/18/568574418.db2.gz RPDYYCDCTCYIJB-UHFFFAOYSA-N 0 0 419.521 5.336 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccccc1C(C)C ZINC000224226897 568574452 /nfs/dbraw/zinc/57/44/52/568574452.db2.gz SYIAUHUTPGSWOD-IBGZPJMESA-N 0 0 403.522 5.889 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccccc1C(C)C ZINC000224226950 568574441 /nfs/dbraw/zinc/57/44/41/568574441.db2.gz SYIAUHUTPGSWOD-LJQANCHMSA-N 0 0 403.522 5.889 40 0 HKABRN COc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccccc1C(C)C ZINC000224227017 568574425 /nfs/dbraw/zinc/57/44/25/568574425.db2.gz AGORWSBXUIEFOE-UHFFFAOYSA-N 0 0 403.522 5.370 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccccc1C(C)C ZINC000224227745 568574403 /nfs/dbraw/zinc/57/44/03/568574403.db2.gz ZFZGNLHWMBUEJK-UHFFFAOYSA-N 0 0 403.522 6.267 40 0 HKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224227811 568574406 /nfs/dbraw/zinc/57/44/06/568574406.db2.gz UFVXYWUNGLPFAR-VWLOTQADSA-N 0 0 420.597 5.021 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccccc1C(C)C ZINC000224227835 568574429 /nfs/dbraw/zinc/57/44/29/568574429.db2.gz IMLPYCFFFFSSGM-UHFFFAOYSA-N 0 0 403.522 6.267 40 0 HKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224227870 568574427 /nfs/dbraw/zinc/57/44/27/568574427.db2.gz UFVXYWUNGLPFAR-RUZDIDTESA-N 0 0 420.597 5.021 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccccc1C(C)C ZINC000224227910 568574409 /nfs/dbraw/zinc/57/44/09/568574409.db2.gz BHOABLGHVICBHK-UHFFFAOYSA-N 0 0 403.522 6.267 40 0 HKABRN COc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccccc1C(C)C ZINC000224227993 568574411 /nfs/dbraw/zinc/57/44/11/568574411.db2.gz IFJVZUXYAWITSW-UHFFFAOYSA-N 0 0 403.522 6.267 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2ccccc2C(C)C)c1 ZINC000224228073 568574437 /nfs/dbraw/zinc/57/44/37/568574437.db2.gz PCVLUQHCVYDLDM-UHFFFAOYSA-N 0 0 417.549 6.521 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccccc1C(C)C ZINC000224228147 568574451 /nfs/dbraw/zinc/57/44/51/568574451.db2.gz LWFFILBAKJCKBO-UHFFFAOYSA-N 0 0 403.522 6.267 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccccc1C(C)C ZINC000224228223 568574522 /nfs/dbraw/zinc/57/45/22/568574522.db2.gz GVPCGUFAVVERPE-UHFFFAOYSA-N 0 0 403.522 6.267 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1C1CC1 ZINC000224228256 568574510 /nfs/dbraw/zinc/57/45/10/568574510.db2.gz RSMGZBNYYVQWCX-DHIUTWEWSA-N 0 0 402.567 5.320 40 0 HKABRN CCc1ccccc1NC(=O)c1ccc(OC)c(COc2ccccc2C(C)C)c1 ZINC000224228292 568574537 /nfs/dbraw/zinc/57/45/37/568574537.db2.gz XBWLWZYSHOHZNM-UHFFFAOYSA-N 0 0 403.522 6.212 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1C1CC1 ZINC000224228310 568574527 /nfs/dbraw/zinc/57/45/27/568574527.db2.gz RSMGZBNYYVQWCX-PKTZIBPZSA-N 0 0 402.567 5.320 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1C1CC1 ZINC000224228365 568574543 /nfs/dbraw/zinc/57/45/43/568574543.db2.gz RSMGZBNYYVQWCX-XZOQPEGZSA-N 0 0 402.567 5.320 40 0 HKABRN CCc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)C)c2)cc1 ZINC000224228366 568574518 /nfs/dbraw/zinc/57/45/18/568574518.db2.gz RPZPJFWFRBRIPN-UHFFFAOYSA-N 0 0 403.522 6.212 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1C1CC1 ZINC000224228423 568574530 /nfs/dbraw/zinc/57/45/30/568574530.db2.gz RSMGZBNYYVQWCX-GOTSBHOMSA-N 0 0 402.567 5.320 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccccc1C(C)C ZINC000224228452 568574536 /nfs/dbraw/zinc/57/45/36/568574536.db2.gz FWPDGGSAYOQUPB-UHFFFAOYSA-N 0 0 417.549 6.773 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccccc1C(C)C ZINC000224228853 568574542 /nfs/dbraw/zinc/57/45/42/568574542.db2.gz XEZTVKCBKGTHPW-UHFFFAOYSA-N 0 0 409.913 6.303 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccccc1C(C)C ZINC000224228943 568574552 /nfs/dbraw/zinc/57/45/52/568574552.db2.gz TWIIDACESPKHAO-UHFFFAOYSA-N 0 0 409.913 6.303 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccccc1C(C)C ZINC000224229015 568574505 /nfs/dbraw/zinc/57/45/05/568574505.db2.gz ARIKSTVMHRSWMM-UHFFFAOYSA-N 0 0 409.913 6.303 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccccc1C(C)C ZINC000224229407 568574513 /nfs/dbraw/zinc/57/45/13/568574513.db2.gz DGYQWPWOLBYRKE-UHFFFAOYSA-N 0 0 423.940 6.612 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccccc1C(C)C ZINC000224229478 568574524 /nfs/dbraw/zinc/57/45/24/568574524.db2.gz RWGZTKMDZIGUJK-UHFFFAOYSA-N 0 0 423.940 6.612 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccccc1C(C)C ZINC000224229546 568574512 /nfs/dbraw/zinc/57/45/12/568574512.db2.gz MQAMAHKBNCCOEA-UHFFFAOYSA-N 0 0 423.940 6.612 40 0 HKABRN Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1 ZINC000224229564 568574548 /nfs/dbraw/zinc/57/45/48/568574548.db2.gz CDXNWJRWYNFDDP-JWQCQUIFSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1 ZINC000224229609 568574519 /nfs/dbraw/zinc/57/45/19/568574519.db2.gz CDXNWJRWYNFDDP-RPBOFIJWSA-N 0 0 424.573 5.666 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccccc1C(C)C ZINC000224229616 568574508 /nfs/dbraw/zinc/57/45/08/568574508.db2.gz SLWXXAVAFBBYAX-UHFFFAOYSA-N 0 0 423.940 6.612 40 0 HKABRN Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1 ZINC000224229651 568574515 /nfs/dbraw/zinc/57/45/15/568574515.db2.gz CDXNWJRWYNFDDP-LOSJGSFVSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1 ZINC000224229680 568574544 /nfs/dbraw/zinc/57/45/44/568574544.db2.gz CDXNWJRWYNFDDP-DQEYMECFSA-N 0 0 424.573 5.666 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccccc1C(C)C ZINC000224230124 568574551 /nfs/dbraw/zinc/57/45/51/568574551.db2.gz OCAQSMZKGCOSDZ-UHFFFAOYSA-N 0 0 411.448 5.928 40 0 HKABRN COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccccc1C(C)C ZINC000224230195 568574509 /nfs/dbraw/zinc/57/45/09/568574509.db2.gz VPCHGUKFSVEGOI-UHFFFAOYSA-N 0 0 411.448 5.928 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccccc1C(C)C ZINC000224230761 568574538 /nfs/dbraw/zinc/57/45/38/568574538.db2.gz CXYLDIRBHDRESK-UHFFFAOYSA-N 0 0 405.494 5.659 40 0 HKABRN COc1cccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)C)c2)c1 ZINC000224230835 568574640 /nfs/dbraw/zinc/57/46/40/568574640.db2.gz UWAAUEDRLZSEGO-UHFFFAOYSA-N 0 0 405.494 5.659 40 0 HKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)c1 ZINC000224230841 568574656 /nfs/dbraw/zinc/57/46/56/568574656.db2.gz LMPCFRVSMMBKHP-GOTSBHOMSA-N 0 0 414.534 5.010 40 0 HKABRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)c1 ZINC000224230885 568574630 /nfs/dbraw/zinc/57/46/30/568574630.db2.gz LMPCFRVSMMBKHP-PKTZIBPZSA-N 0 0 414.534 5.010 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)C)c2)cc1 ZINC000224230913 568574617 /nfs/dbraw/zinc/57/46/17/568574617.db2.gz IFDXDZUVXLMIBJ-UHFFFAOYSA-N 0 0 405.494 5.659 40 0 HKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)c1 ZINC000224230917 568574590 /nfs/dbraw/zinc/57/45/90/568574590.db2.gz LMPCFRVSMMBKHP-XZOQPEGZSA-N 0 0 414.534 5.010 40 0 HKABRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)c1 ZINC000224230961 568574595 /nfs/dbraw/zinc/57/45/95/568574595.db2.gz LMPCFRVSMMBKHP-DHIUTWEWSA-N 0 0 414.534 5.010 40 0 HKABRN CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2ccccc2C(C)C)c1 ZINC000224230992 568574646 /nfs/dbraw/zinc/57/46/46/568574646.db2.gz KNWOMDNHDVWQKG-UHFFFAOYSA-N 0 0 419.521 6.049 40 0 HKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)c1 ZINC000224231020 568574619 /nfs/dbraw/zinc/57/46/19/568574619.db2.gz HXZLXVDXINPONJ-GOTSBHOMSA-N 0 0 402.567 5.484 40 0 HKABRN CCOc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)C)c2)cc1 ZINC000224231067 568574671 /nfs/dbraw/zinc/57/46/71/568574671.db2.gz CZYWHOQNUWNQRR-UHFFFAOYSA-N 0 0 419.521 6.049 40 0 HKABRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)c1 ZINC000224231074 568574597 /nfs/dbraw/zinc/57/45/97/568574597.db2.gz HXZLXVDXINPONJ-PKTZIBPZSA-N 0 0 402.567 5.484 40 0 HKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)c1 ZINC000224231102 568574628 /nfs/dbraw/zinc/57/46/28/568574628.db2.gz HXZLXVDXINPONJ-XZOQPEGZSA-N 0 0 402.567 5.484 40 0 HKABRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)c1 ZINC000224231147 568574657 /nfs/dbraw/zinc/57/46/57/568574657.db2.gz HXZLXVDXINPONJ-DHIUTWEWSA-N 0 0 402.567 5.484 40 0 HKABRN COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccccc1C(C)C ZINC000224231530 568574621 /nfs/dbraw/zinc/57/46/21/568574621.db2.gz RMGYXWHKJQZQFS-UHFFFAOYSA-N 0 0 419.477 5.379 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccccc1C(C)C ZINC000224231680 568574592 /nfs/dbraw/zinc/57/45/92/568574592.db2.gz FQXBJGOQCGJZGC-UHFFFAOYSA-N 0 0 419.521 5.967 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccccc1C(C)C ZINC000224231899 568574662 /nfs/dbraw/zinc/57/46/62/568574662.db2.gz JXZCQWWXPIUFOE-UHFFFAOYSA-N 0 0 421.562 6.372 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1C(C)C ZINC000224232152 568574614 /nfs/dbraw/zinc/57/46/14/568574614.db2.gz XLVDLNAXIUHLTF-DHIUTWEWSA-N 0 0 404.583 5.566 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1C(C)C ZINC000224232198 568574642 /nfs/dbraw/zinc/57/46/42/568574642.db2.gz XLVDLNAXIUHLTF-PKTZIBPZSA-N 0 0 404.583 5.566 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1C(C)C ZINC000224232235 568574599 /nfs/dbraw/zinc/57/45/99/568574599.db2.gz XLVDLNAXIUHLTF-XZOQPEGZSA-N 0 0 404.583 5.566 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1C(C)C ZINC000224232292 568574632 /nfs/dbraw/zinc/57/46/32/568574632.db2.gz XLVDLNAXIUHLTF-GOTSBHOMSA-N 0 0 404.583 5.566 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccccc1C(C)C ZINC000224232396 568574664 /nfs/dbraw/zinc/57/46/64/568574664.db2.gz MJUBCYUBFXWLSO-UHFFFAOYSA-N 0 0 417.505 5.853 40 0 HKABRN COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccccc1C(C)C ZINC000224232716 568574669 /nfs/dbraw/zinc/57/46/69/568574669.db2.gz FRLSEBRTUVIMAK-UHFFFAOYSA-N 0 0 403.522 5.670 40 0 HKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C ZINC000224233473 568574703 /nfs/dbraw/zinc/57/47/03/568574703.db2.gz WELPFTNGCUKYAX-VWLOTQADSA-N 0 0 420.597 5.021 40 0 HKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C ZINC000224233528 568574762 /nfs/dbraw/zinc/57/47/62/568574762.db2.gz WELPFTNGCUKYAX-RUZDIDTESA-N 0 0 420.597 5.021 40 0 HKABRN COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccccc1C(C)C ZINC000224234350 568574711 /nfs/dbraw/zinc/57/47/11/568574711.db2.gz BQCPXCGKVJRPET-UHFFFAOYSA-N 0 0 415.533 5.596 40 0 HKABRN COc1ccccc1CNC(=O)c1ccc(OC)c(COc2ccccc2C(C)C)c1 ZINC000224234518 568574743 /nfs/dbraw/zinc/57/47/43/568574743.db2.gz ADODBTYFJNCCFR-UHFFFAOYSA-N 0 0 419.521 5.336 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccccc1C(C)C ZINC000224235065 568574756 /nfs/dbraw/zinc/57/47/56/568574756.db2.gz YUWXDMYZXYSZNP-UHFFFAOYSA-N 0 0 421.562 6.372 40 0 HKABRN COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccccc1C(C)C ZINC000224235313 568574766 /nfs/dbraw/zinc/57/47/66/568574766.db2.gz HIXRBBTXCPMFOH-UHFFFAOYSA-N 0 0 417.549 6.575 40 0 HKABRN COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccccc1C(C)C ZINC000224236344 568574673 /nfs/dbraw/zinc/57/46/73/568574673.db2.gz NUJPJRFKQLCNEO-UHFFFAOYSA-N 0 0 409.570 6.240 40 0 HKABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)c(C)c1 ZINC000224236446 568574729 /nfs/dbraw/zinc/57/47/29/568574729.db2.gz PIQCQSDUILEODC-UHFFFAOYSA-N 0 0 413.564 5.405 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccccc1C(C)C ZINC000224237047 568574804 /nfs/dbraw/zinc/57/48/04/568574804.db2.gz FUGPODUCUFJXJH-UHFFFAOYSA-N 0 0 407.485 5.467 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000224237049 568574822 /nfs/dbraw/zinc/57/48/22/568574822.db2.gz MHVXHAAEJQHVRC-OAQYLSRUSA-N 0 0 419.587 5.201 40 0 HKABRN COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000224237105 568574817 /nfs/dbraw/zinc/57/48/17/568574817.db2.gz MHVXHAAEJQHVRC-NRFANRHFSA-N 0 0 419.587 5.201 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccccc1C(C)C ZINC000224237127 568574878 /nfs/dbraw/zinc/57/48/78/568574878.db2.gz WXZSURZXZCPAPV-SFHVURJKSA-N 0 0 421.512 6.028 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccccc1C(C)C ZINC000224237197 568574870 /nfs/dbraw/zinc/57/48/70/568574870.db2.gz WXZSURZXZCPAPV-GOSISDBHSA-N 0 0 421.512 6.028 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000224238852 568574801 /nfs/dbraw/zinc/57/48/01/568574801.db2.gz CMMCZZJADRNWMQ-HSZRJFAPSA-N 0 0 409.570 5.006 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000224238914 568574854 /nfs/dbraw/zinc/57/48/54/568574854.db2.gz CMMCZZJADRNWMQ-QHCPKHFHSA-N 0 0 409.570 5.006 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2ccccc2OC)c1 ZINC000224240120 568574836 /nfs/dbraw/zinc/57/48/36/568574836.db2.gz ZXXJTCUFYMWLBN-UHFFFAOYSA-N 0 0 405.494 5.406 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccccc1OC ZINC000224240510 568574831 /nfs/dbraw/zinc/57/48/31/568574831.db2.gz PHBYLVNGAJJDOS-UHFFFAOYSA-N 0 0 405.494 5.659 40 0 HKABRN COc1ccc(C(=O)Nc2cccc3ccccc32)cc1COc1ccccc1OC ZINC000224240592 568574829 /nfs/dbraw/zinc/57/48/29/568574829.db2.gz DFUCQJFRSGQOIV-UHFFFAOYSA-N 0 0 413.473 5.688 40 0 HKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000224241248 568574977 /nfs/dbraw/zinc/57/49/77/568574977.db2.gz KTJKTVBWOXZLJK-VWLOTQADSA-N 0 0 420.597 5.021 40 0 HKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000224241308 568575000 /nfs/dbraw/zinc/57/50/00/568575000.db2.gz KTJKTVBWOXZLJK-RUZDIDTESA-N 0 0 420.597 5.021 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccccc1OC ZINC000224241441 568574940 /nfs/dbraw/zinc/57/49/40/568574940.db2.gz YWDUONQWEKBHMO-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccccc1OC ZINC000224241516 568574929 /nfs/dbraw/zinc/57/49/29/568574929.db2.gz WVELKYDPEMLPRG-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccccc1OC ZINC000224241591 568575009 /nfs/dbraw/zinc/57/50/09/568575009.db2.gz DEULAGKVBPQDPP-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccccc1OC ZINC000224241675 568575013 /nfs/dbraw/zinc/57/50/13/568575013.db2.gz BVSNGVLBAVAUEM-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN O=C(CCSCc1ccccc1)Nc1nnc(SCc2ccccc2)s1 ZINC000224241707 568574931 /nfs/dbraw/zinc/57/49/31/568574931.db2.gz YUOYGKOBESHHIU-UHFFFAOYSA-N 0 0 401.582 5.092 40 0 HKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)c1 ZINC000224241984 568575007 /nfs/dbraw/zinc/57/50/07/568575007.db2.gz UTVYKSPOCCNKIC-ZEQRLZLVSA-N 0 0 416.594 5.874 40 0 HKABRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)c1 ZINC000224242041 568575019 /nfs/dbraw/zinc/57/50/19/568575019.db2.gz UTVYKSPOCCNKIC-RPWUZVMVSA-N 0 0 416.594 5.874 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)ccc1Br ZINC000224242068 568574920 /nfs/dbraw/zinc/57/49/20/568574920.db2.gz IYWJQABTJZXEHO-UHFFFAOYSA-N 0 0 410.267 5.674 40 0 HKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)c1 ZINC000224242082 568574935 /nfs/dbraw/zinc/57/49/35/568574935.db2.gz UTVYKSPOCCNKIC-BJKOFHAPSA-N 0 0 416.594 5.874 40 0 HKABRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)c1 ZINC000224242131 568574927 /nfs/dbraw/zinc/57/49/27/568574927.db2.gz UTVYKSPOCCNKIC-DNQXCXABSA-N 0 0 416.594 5.874 40 0 HKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)c1 ZINC000224242196 568574973 /nfs/dbraw/zinc/57/49/73/568574973.db2.gz HVAFRFQFLBLOEI-ZEQRLZLVSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)c1 ZINC000224242239 568574981 /nfs/dbraw/zinc/57/49/81/568574981.db2.gz HVAFRFQFLBLOEI-RPWUZVMVSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)c1 ZINC000224242289 568574955 /nfs/dbraw/zinc/57/49/55/568574955.db2.gz HVAFRFQFLBLOEI-BJKOFHAPSA-N 0 0 410.546 5.358 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccccc1OC ZINC000224242334 568575002 /nfs/dbraw/zinc/57/50/02/568575002.db2.gz PSMUKCGBPXGCAH-UHFFFAOYSA-N 0 0 415.848 5.328 40 0 HKABRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)c1 ZINC000224242339 568574953 /nfs/dbraw/zinc/57/49/53/568574953.db2.gz HVAFRFQFLBLOEI-DNQXCXABSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)c1 ZINC000224242395 568574998 /nfs/dbraw/zinc/57/49/98/568574998.db2.gz JTPBPJDQUFRQNE-DQEYMECFSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)c1 ZINC000224242438 568574966 /nfs/dbraw/zinc/57/49/66/568574966.db2.gz JTPBPJDQUFRQNE-RPBOFIJWSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)c1 ZINC000224242467 568575021 /nfs/dbraw/zinc/57/50/21/568575021.db2.gz JTPBPJDQUFRQNE-LOSJGSFVSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)c1 ZINC000224242502 568575077 /nfs/dbraw/zinc/57/50/77/568575077.db2.gz JTPBPJDQUFRQNE-JWQCQUIFSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)cc1 ZINC000224242541 568575059 /nfs/dbraw/zinc/57/50/59/568575059.db2.gz GNZLFXBXKAYUIB-JWQCQUIFSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)cc1 ZINC000224242589 568575075 /nfs/dbraw/zinc/57/50/75/568575075.db2.gz GNZLFXBXKAYUIB-RPBOFIJWSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)cc1 ZINC000224242638 568575088 /nfs/dbraw/zinc/57/50/88/568575088.db2.gz GNZLFXBXKAYUIB-LOSJGSFVSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)cc1 ZINC000224242678 568575060 /nfs/dbraw/zinc/57/50/60/568575060.db2.gz GNZLFXBXKAYUIB-DQEYMECFSA-N 0 0 424.573 5.666 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2O1 ZINC000224242761 568575057 /nfs/dbraw/zinc/57/50/57/568575057.db2.gz WTSIMGVPOSSTHG-QGZVFWFLSA-N 0 0 408.325 5.571 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2O1 ZINC000224242810 568575050 /nfs/dbraw/zinc/57/50/50/568575050.db2.gz WTSIMGVPOSSTHG-KRWDZBQOSA-N 0 0 408.325 5.571 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccccc1OC ZINC000224243619 568575108 /nfs/dbraw/zinc/57/51/08/568575108.db2.gz XUBQZYJWEGZZOG-UHFFFAOYSA-N 0 0 409.507 5.257 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc(C)c1Br ZINC000224244181 568575198 /nfs/dbraw/zinc/57/51/98/568575198.db2.gz APWUOKFKLVCWSZ-UHFFFAOYSA-N 0 0 424.294 5.983 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc3c4c(cccc42)CC3)cc(C)c1Br ZINC000224245060 568575129 /nfs/dbraw/zinc/57/51/29/568575129.db2.gz HPFXGVXZEIDQJN-UHFFFAOYSA-N 0 0 410.311 5.335 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3OC)c2)cc1 ZINC000224246512 568575210 /nfs/dbraw/zinc/57/52/10/568575210.db2.gz PFYBGVHIHGTHBC-UHFFFAOYSA-N 0 0 419.521 5.878 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccccc1OC ZINC000224246577 568575174 /nfs/dbraw/zinc/57/51/74/568575174.db2.gz FRIGNIWJMUCJAH-UHFFFAOYSA-N 0 0 409.507 5.257 40 0 HKABRN COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccccc1OC ZINC000224246798 568575180 /nfs/dbraw/zinc/57/51/80/568575180.db2.gz NOEOVXDOQBWOCC-UHFFFAOYSA-N 0 0 405.494 5.460 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2ccccc2OC)c1 ZINC000224246882 568575260 /nfs/dbraw/zinc/57/52/60/568575260.db2.gz OMPFNCHDZGJPFQ-UHFFFAOYSA-N 0 0 419.521 5.660 40 0 HKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)c1 ZINC000224247041 568575227 /nfs/dbraw/zinc/57/52/27/568575227.db2.gz XGGGOMUVSQZHKU-ZEQRLZLVSA-N 0 0 411.530 5.827 40 0 HKABRN O=C(COc1ccc(Cl)cc1Br)Nc1ccc2c3c(cccc31)CC2 ZINC000224247056 568575262 /nfs/dbraw/zinc/57/52/62/568575262.db2.gz LOODMEBLWSSHSB-UHFFFAOYSA-N 0 0 416.702 5.372 40 0 HKABRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)c1 ZINC000224247089 568575287 /nfs/dbraw/zinc/57/52/87/568575287.db2.gz XGGGOMUVSQZHKU-RPWUZVMVSA-N 0 0 411.530 5.827 40 0 HKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)c1 ZINC000224247128 568575234 /nfs/dbraw/zinc/57/52/34/568575234.db2.gz XGGGOMUVSQZHKU-BJKOFHAPSA-N 0 0 411.530 5.827 40 0 HKABRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)c1 ZINC000224247182 568575237 /nfs/dbraw/zinc/57/52/37/568575237.db2.gz XGGGOMUVSQZHKU-DNQXCXABSA-N 0 0 411.530 5.827 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccccc1OC ZINC000224247734 568575244 /nfs/dbraw/zinc/57/52/44/568575244.db2.gz AOHYOLSFPCJJIX-IBGZPJMESA-N 0 0 419.521 5.034 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccccc1OC ZINC000224247795 568575238 /nfs/dbraw/zinc/57/52/38/568575238.db2.gz AOHYOLSFPCJJIX-LJQANCHMSA-N 0 0 419.521 5.034 40 0 HKABRN CCc1ccc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)c(Br)c1 ZINC000224248117 568575233 /nfs/dbraw/zinc/57/52/33/568575233.db2.gz FTWZRNLSWDCCCT-UHFFFAOYSA-N 0 0 424.294 5.928 40 0 HKABRN CCc1ccc(OCC(=O)Nc2ccc3c4c(cccc42)CC3)c(Br)c1 ZINC000224248969 568575269 /nfs/dbraw/zinc/57/52/69/568575269.db2.gz RBVWVIIORKWNPM-UHFFFAOYSA-N 0 0 410.311 5.281 40 0 HKABRN CC(C)c1ccc(OCC(=O)Nc2ccc3c4c(cccc42)CC3)c(Br)c1 ZINC000224250914 568575350 /nfs/dbraw/zinc/57/53/50/568575350.db2.gz TXHOANZFQXVREG-UHFFFAOYSA-N 0 0 424.338 5.842 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)NCCc2ccc(Cl)cc2)c(Br)c1 ZINC000224251077 568575339 /nfs/dbraw/zinc/57/53/39/568575339.db2.gz BNUQJPKKNZUHMD-UHFFFAOYSA-N 0 0 424.766 5.138 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2cccc(OC)c2)c1 ZINC000224251747 568575384 /nfs/dbraw/zinc/57/53/84/568575384.db2.gz FMLDLGSIRBEITO-UHFFFAOYSA-N 0 0 405.494 5.406 40 0 HKABRN C[C@@H](CNC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccccc1 ZINC000224251937 568575340 /nfs/dbraw/zinc/57/53/40/568575340.db2.gz VPDSKXOSAXLTEU-HNNXBMFYSA-N 0 0 404.348 5.045 40 0 HKABRN C[C@H](CNC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccccc1 ZINC000224251995 568575352 /nfs/dbraw/zinc/57/53/52/568575352.db2.gz VPDSKXOSAXLTEU-OAHLLOKOSA-N 0 0 404.348 5.045 40 0 HKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)c1 ZINC000224252023 568575369 /nfs/dbraw/zinc/57/53/69/568575369.db2.gz PGYHITCBDBACFU-GOTSBHOMSA-N 0 0 402.567 5.484 40 0 HKABRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)c1 ZINC000224252074 568575378 /nfs/dbraw/zinc/57/53/78/568575378.db2.gz PGYHITCBDBACFU-PKTZIBPZSA-N 0 0 402.567 5.484 40 0 HKABRN O=C(NCCSC1CCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000224252094 568575353 /nfs/dbraw/zinc/57/53/53/568575353.db2.gz LHLFIQPXBAYMSU-UHFFFAOYSA-N 0 0 406.016 6.038 40 0 HKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)c1 ZINC000224252105 568575389 /nfs/dbraw/zinc/57/53/89/568575389.db2.gz PGYHITCBDBACFU-XZOQPEGZSA-N 0 0 402.567 5.484 40 0 HKABRN COc1cccc(OCc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2OC)c1 ZINC000224252143 568575365 /nfs/dbraw/zinc/57/53/65/568575365.db2.gz KKXATKAPQRPQBO-UHFFFAOYSA-N 0 0 405.494 5.659 40 0 HKABRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)c1 ZINC000224252158 568575336 /nfs/dbraw/zinc/57/53/36/568575336.db2.gz PGYHITCBDBACFU-DHIUTWEWSA-N 0 0 402.567 5.484 40 0 HKABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000224252193 568575362 /nfs/dbraw/zinc/57/53/62/568575362.db2.gz OUJHMEZKEBMCRY-XMMPIXPASA-N 0 0 422.613 5.169 40 0 HKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)c1 ZINC000224252213 568575355 /nfs/dbraw/zinc/57/53/55/568575355.db2.gz PHOXIBPKCLKCCR-ZEQRLZLVSA-N 0 0 416.594 5.874 40 0 HKABRN COc1cccc(OCc2cc(C(=O)Nc3cccc4ccccc43)ccc2OC)c1 ZINC000224252214 568575348 /nfs/dbraw/zinc/57/53/48/568575348.db2.gz CWVIGJHFBOLNKV-UHFFFAOYSA-N 0 0 413.473 5.688 40 0 HKABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000224252249 568575454 /nfs/dbraw/zinc/57/54/54/568575454.db2.gz OUJHMEZKEBMCRY-DEOSSOPVSA-N 0 0 422.613 5.169 40 0 HKABRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)c1 ZINC000224252259 568575475 /nfs/dbraw/zinc/57/54/75/568575475.db2.gz PHOXIBPKCLKCCR-RPWUZVMVSA-N 0 0 416.594 5.874 40 0 HKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)c1 ZINC000224252296 568575487 /nfs/dbraw/zinc/57/54/87/568575487.db2.gz PHOXIBPKCLKCCR-BJKOFHAPSA-N 0 0 416.594 5.874 40 0 HKABRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)c1 ZINC000224252348 568575467 /nfs/dbraw/zinc/57/54/67/568575467.db2.gz PHOXIBPKCLKCCR-DNQXCXABSA-N 0 0 416.594 5.874 40 0 HKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)c1 ZINC000224252410 568575427 /nfs/dbraw/zinc/57/54/27/568575427.db2.gz KCBWTXPCMMHDSY-ZEQRLZLVSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)c1 ZINC000224252464 568575453 /nfs/dbraw/zinc/57/54/53/568575453.db2.gz KCBWTXPCMMHDSY-RPWUZVMVSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)c1 ZINC000224252505 568575480 /nfs/dbraw/zinc/57/54/80/568575480.db2.gz KCBWTXPCMMHDSY-BJKOFHAPSA-N 0 0 410.546 5.358 40 0 HKABRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)c1 ZINC000224252554 568575448 /nfs/dbraw/zinc/57/54/48/568575448.db2.gz KCBWTXPCMMHDSY-DNQXCXABSA-N 0 0 410.546 5.358 40 0 HKABRN COc1cccc(OCc2cc(C(=O)Nc3cccc(Cl)c3C)ccc2OC)c1 ZINC000224253096 568575432 /nfs/dbraw/zinc/57/54/32/568575432.db2.gz SJMJVROZLGMQSA-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000224253103 568575457 /nfs/dbraw/zinc/57/54/57/568575457.db2.gz LOCSQGZUUDSFRQ-LJQANCHMSA-N 0 0 419.506 5.163 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000224253153 568575468 /nfs/dbraw/zinc/57/54/68/568575468.db2.gz LOCSQGZUUDSFRQ-IBGZPJMESA-N 0 0 419.506 5.163 40 0 HKABRN COc1cccc(OCc2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2OC)c1 ZINC000224253173 568575476 /nfs/dbraw/zinc/57/54/76/568575476.db2.gz VAHNWYAAEYEZAT-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN COc1cccc(OCc2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2OC)c1 ZINC000224253253 568575446 /nfs/dbraw/zinc/57/54/46/568575446.db2.gz ZNWRHTYCBROAPD-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN COc1cccc(OCc2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2OC)c1 ZINC000224253334 568575456 /nfs/dbraw/zinc/57/54/56/568575456.db2.gz VLJAMNUFAZYKQZ-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN COc1cccc(OCc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2OC)c1 ZINC000224254146 568575485 /nfs/dbraw/zinc/57/54/85/568575485.db2.gz UXSDIQAVTHDIHM-UHFFFAOYSA-N 0 0 415.848 5.328 40 0 HKABRN COc1cccc(OCc2cc(C(=O)Nc3cccc(SC)c3)ccc2OC)c1 ZINC000224255799 568575573 /nfs/dbraw/zinc/57/55/73/568575573.db2.gz AFCJDBWCPRQKMV-UHFFFAOYSA-N 0 0 409.507 5.257 40 0 HKABRN O=C(COc1ccc2c(c1)CCCC2)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000224257064 568575581 /nfs/dbraw/zinc/57/55/81/568575581.db2.gz DNMOLXGTTXGIEZ-UHFFFAOYSA-N 0 0 424.393 5.301 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3cccc(OC)c3)c2)cc1 ZINC000224258909 568575681 /nfs/dbraw/zinc/57/56/81/568575681.db2.gz RGVDYFVPYJFQDP-UHFFFAOYSA-N 0 0 419.521 5.878 40 0 HKABRN COc1cccc(OCc2cc(C(=O)Nc3ccccc3SC)ccc2OC)c1 ZINC000224258987 568575654 /nfs/dbraw/zinc/57/56/54/568575654.db2.gz HMWLJFWJRWGDFK-UHFFFAOYSA-N 0 0 409.507 5.257 40 0 HKABRN COc1cccc(OCc2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2OC)c1 ZINC000224259208 568575673 /nfs/dbraw/zinc/57/56/73/568575673.db2.gz LXAKLBXBKXKTET-UHFFFAOYSA-N 0 0 405.494 5.460 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2cccc(OC)c2)c1 ZINC000224259287 568575642 /nfs/dbraw/zinc/57/56/42/568575642.db2.gz GLVZKWLBWNPNEQ-UHFFFAOYSA-N 0 0 419.521 5.660 40 0 HKABRN COc1cccc(OCc2cc(C(=O)N[C@@H](C)CCc3ccccc3)ccc2OC)c1 ZINC000224260119 568575651 /nfs/dbraw/zinc/57/56/51/568575651.db2.gz ZGXGSEXBEQLCEW-IBGZPJMESA-N 0 0 419.521 5.034 40 0 HKABRN COc1cccc(OCc2cc(C(=O)N[C@H](C)CCc3ccccc3)ccc2OC)c1 ZINC000224260182 568575663 /nfs/dbraw/zinc/57/56/63/568575663.db2.gz ZGXGSEXBEQLCEW-LJQANCHMSA-N 0 0 419.521 5.034 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1C1CC1 ZINC000224260881 568575670 /nfs/dbraw/zinc/57/56/70/568575670.db2.gz VXMIUKKEDLLVMP-DNQXCXABSA-N 0 0 416.594 5.629 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1C1CC1 ZINC000224260926 568575656 /nfs/dbraw/zinc/57/56/56/568575656.db2.gz VXMIUKKEDLLVMP-RPWUZVMVSA-N 0 0 416.594 5.629 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1C1CC1 ZINC000224260971 568575666 /nfs/dbraw/zinc/57/56/66/568575666.db2.gz VXMIUKKEDLLVMP-BJKOFHAPSA-N 0 0 416.594 5.629 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1C1CC1 ZINC000224261007 568575626 /nfs/dbraw/zinc/57/56/26/568575626.db2.gz VXMIUKKEDLLVMP-ZEQRLZLVSA-N 0 0 416.594 5.629 40 0 HKABRN O=C(COc1ccc(Br)cc1Cl)Nc1ccc2c3c(cccc31)CC2 ZINC000224263345 568575778 /nfs/dbraw/zinc/57/57/78/568575778.db2.gz GJVVMFSVTXZRSH-UHFFFAOYSA-N 0 0 416.702 5.372 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1C ZINC000224263539 568575746 /nfs/dbraw/zinc/57/57/46/568575746.db2.gz YBQGUVZAPJDATD-ZEQRLZLVSA-N 0 0 416.594 5.792 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1C ZINC000224263585 568575787 /nfs/dbraw/zinc/57/57/87/568575787.db2.gz YBQGUVZAPJDATD-RPWUZVMVSA-N 0 0 416.594 5.792 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1C ZINC000224263614 568575726 /nfs/dbraw/zinc/57/57/26/568575726.db2.gz YBQGUVZAPJDATD-BJKOFHAPSA-N 0 0 416.594 5.792 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1C ZINC000224263665 568575774 /nfs/dbraw/zinc/57/57/74/568575774.db2.gz YBQGUVZAPJDATD-DNQXCXABSA-N 0 0 416.594 5.792 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1C ZINC000224263727 568575734 /nfs/dbraw/zinc/57/57/34/568575734.db2.gz FVRXMVSSHIEHAR-VXKWHMMOSA-N 0 0 404.583 5.432 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1C ZINC000224263774 568575755 /nfs/dbraw/zinc/57/57/55/568575755.db2.gz FVRXMVSSHIEHAR-YADHBBJMSA-N 0 0 404.583 5.432 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1C ZINC000224263806 568575782 /nfs/dbraw/zinc/57/57/82/568575782.db2.gz FVRXMVSSHIEHAR-FCHUYYIVSA-N 0 0 404.583 5.432 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1C ZINC000224263852 568575776 /nfs/dbraw/zinc/57/57/76/568575776.db2.gz FVRXMVSSHIEHAR-FGZHOGPDSA-N 0 0 404.583 5.432 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2ccc(OC)cc2)c1 ZINC000224263944 568575752 /nfs/dbraw/zinc/57/57/52/568575752.db2.gz NJWDLGVRHQQRLY-UHFFFAOYSA-N 0 0 405.494 5.406 40 0 HKABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc21 ZINC000224264293 568575731 /nfs/dbraw/zinc/57/57/31/568575731.db2.gz FIFDNWRYUNTWES-RUZDIDTESA-N 0 0 416.565 5.024 40 0 HKABRN COc1ccc(OCc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2OC)cc1 ZINC000224264323 568575762 /nfs/dbraw/zinc/57/57/62/568575762.db2.gz JKYFKFBSGZTUPX-UHFFFAOYSA-N 0 0 405.494 5.659 40 0 HKABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc21 ZINC000224264347 568575764 /nfs/dbraw/zinc/57/57/64/568575764.db2.gz FIFDNWRYUNTWES-VWLOTQADSA-N 0 0 416.565 5.024 40 0 HKABRN COc1ccc(OCc2cc(C(=O)Nc3cccc4ccccc43)ccc2OC)cc1 ZINC000224264397 568575761 /nfs/dbraw/zinc/57/57/61/568575761.db2.gz SPGACMQYHFAMAS-UHFFFAOYSA-N 0 0 413.473 5.688 40 0 HKABRN CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C ZINC000224264494 568575767 /nfs/dbraw/zinc/57/57/67/568575767.db2.gz KAMIROVJSDAWTM-DHIUTWEWSA-N 0 0 404.583 5.314 40 0 HKABRN CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C ZINC000224264537 568575775 /nfs/dbraw/zinc/57/57/75/568575775.db2.gz KAMIROVJSDAWTM-PKTZIBPZSA-N 0 0 404.583 5.314 40 0 HKABRN CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C ZINC000224264578 568575736 /nfs/dbraw/zinc/57/57/36/568575736.db2.gz KAMIROVJSDAWTM-XZOQPEGZSA-N 0 0 404.583 5.314 40 0 HKABRN CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C ZINC000224264630 568575754 /nfs/dbraw/zinc/57/57/54/568575754.db2.gz KAMIROVJSDAWTM-GOTSBHOMSA-N 0 0 404.583 5.314 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1C(C)C ZINC000224264694 568575747 /nfs/dbraw/zinc/57/57/47/568575747.db2.gz ZZTFTMFPSOJWJT-DNQXCXABSA-N 0 0 418.610 5.875 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1C(C)C ZINC000224264748 568575772 /nfs/dbraw/zinc/57/57/72/568575772.db2.gz ZZTFTMFPSOJWJT-RPWUZVMVSA-N 0 0 418.610 5.875 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1C(C)C ZINC000224264785 568575784 /nfs/dbraw/zinc/57/57/84/568575784.db2.gz ZZTFTMFPSOJWJT-BJKOFHAPSA-N 0 0 418.610 5.875 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1C(C)C ZINC000224264836 568575750 /nfs/dbraw/zinc/57/57/50/568575750.db2.gz ZZTFTMFPSOJWJT-ZEQRLZLVSA-N 0 0 418.610 5.875 40 0 HKABRN COc1ccc(OCc2cc(C(=O)Nc3cccc(Cl)c3C)ccc2OC)cc1 ZINC000224265233 568575813 /nfs/dbraw/zinc/57/58/13/568575813.db2.gz NYOJBKVSCKDXQP-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN COc1ccc(OCc2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2OC)cc1 ZINC000224265309 568575865 /nfs/dbraw/zinc/57/58/65/568575865.db2.gz FETHNFPBTKWKRO-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN COc1ccc(OCc2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2OC)cc1 ZINC000224265382 568575874 /nfs/dbraw/zinc/57/58/74/568575874.db2.gz YLIXIWXINJKPFG-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN COc1ccc(OCc2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2OC)cc1 ZINC000224265464 568575796 /nfs/dbraw/zinc/57/57/96/568575796.db2.gz BBTRJWRCSXIMFG-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN CC(C)(Cc1ccccc1)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000224266038 568575810 /nfs/dbraw/zinc/57/58/10/568575810.db2.gz OXDMJKGCLGQPMT-UHFFFAOYSA-N 0 0 409.982 6.383 40 0 HKABRN COc1ccc(OCc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2OC)cc1 ZINC000224266227 568575875 /nfs/dbraw/zinc/57/58/75/568575875.db2.gz WDOVSWUGVFTSOB-UHFFFAOYSA-N 0 0 415.848 5.328 40 0 HKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 ZINC000224267772 568575873 /nfs/dbraw/zinc/57/58/73/568575873.db2.gz IWUFMKLMISJRTH-VWLOTQADSA-N 0 0 420.597 5.102 40 0 HKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 ZINC000224267824 568575867 /nfs/dbraw/zinc/57/58/67/568575867.db2.gz IWUFMKLMISJRTH-RUZDIDTESA-N 0 0 420.597 5.102 40 0 HKABRN COc1ccc(OCc2cc(C(=O)Nc3cccc(SC)c3)ccc2OC)cc1 ZINC000224267885 568575970 /nfs/dbraw/zinc/57/59/70/568575970.db2.gz YVUZCNYBMSPWCI-UHFFFAOYSA-N 0 0 409.507 5.257 40 0 HKABRN O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000224268555 568575986 /nfs/dbraw/zinc/57/59/86/568575986.db2.gz QUJAJQNVKZHYTC-UHFFFAOYSA-N 0 0 415.577 6.051 40 0 HKABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000224268713 568575993 /nfs/dbraw/zinc/57/59/93/568575993.db2.gz CIKYDBLNCVTIIJ-MRXNPFEDSA-N 0 0 403.975 5.036 40 0 HKABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000224268779 568575979 /nfs/dbraw/zinc/57/59/79/568575979.db2.gz CIKYDBLNCVTIIJ-INIZCTEOSA-N 0 0 403.975 5.036 40 0 HKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224270764 568576054 /nfs/dbraw/zinc/57/60/54/568576054.db2.gz ZJODWTSKBXLCHQ-VWLOTQADSA-N 0 0 420.597 5.021 40 0 HKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000224270821 568576056 /nfs/dbraw/zinc/57/60/56/568576056.db2.gz ZJODWTSKBXLCHQ-RUZDIDTESA-N 0 0 420.597 5.021 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(OC)cc3)c2)cc1 ZINC000224270888 568576042 /nfs/dbraw/zinc/57/60/42/568576042.db2.gz UJRMUZNWHQYQPA-UHFFFAOYSA-N 0 0 419.521 5.878 40 0 HKABRN COc1ccc(OCc2cc(C(=O)Nc3ccccc3SC)ccc2OC)cc1 ZINC000224270958 568576037 /nfs/dbraw/zinc/57/60/37/568576037.db2.gz QABFWLFCIBMFOA-UHFFFAOYSA-N 0 0 409.507 5.257 40 0 HKABRN CC(C)(C)c1ccc(OCCNC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000224271055 568576096 /nfs/dbraw/zinc/57/60/96/568576096.db2.gz IUMDXWNGMCDRLY-UHFFFAOYSA-N 0 0 403.522 5.372 40 0 HKABRN COc1ccc(OCc2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2OC)cc1 ZINC000224271208 568576094 /nfs/dbraw/zinc/57/60/94/568576094.db2.gz JYTDDHSUFZPZLN-UHFFFAOYSA-N 0 0 405.494 5.460 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2ccc(OC)cc2)c1 ZINC000224271289 568576019 /nfs/dbraw/zinc/57/60/19/568576019.db2.gz KYESEQNJZNFDRI-UHFFFAOYSA-N 0 0 419.521 5.660 40 0 HKABRN COc1ccc(OCc2cc(C(=O)N[C@@H](C)CCc3ccccc3)ccc2OC)cc1 ZINC000224272136 568576070 /nfs/dbraw/zinc/57/60/70/568576070.db2.gz RYXOYHVTUIBPHO-IBGZPJMESA-N 0 0 419.521 5.034 40 0 HKABRN COc1ccc(OCc2cc(C(=O)N[C@H](C)CCc3ccccc3)ccc2OC)cc1 ZINC000224272190 568576024 /nfs/dbraw/zinc/57/60/24/568576024.db2.gz RYXOYHVTUIBPHO-LJQANCHMSA-N 0 0 419.521 5.034 40 0 HKABRN COc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1cc(C)cc(C)c1C ZINC000224274352 568576105 /nfs/dbraw/zinc/57/61/05/568576105.db2.gz VZXJSVVVSMMORD-UHFFFAOYSA-N 0 0 407.554 5.820 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1cc(C)cc(C)c1C ZINC000224274501 568576016 /nfs/dbraw/zinc/57/60/16/568576016.db2.gz VOEXOMXFTFGONA-UHFFFAOYSA-N 0 0 403.522 5.438 40 0 HKABRN COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1cc(C)cc(C)c1C ZINC000224274566 568575998 /nfs/dbraw/zinc/57/59/98/568575998.db2.gz SNWHFSUWKWERJR-UHFFFAOYSA-N 0 0 423.940 5.783 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1C ZINC000224274642 568576035 /nfs/dbraw/zinc/57/60/35/568576035.db2.gz LRQQQBXFBCMCFU-UHFFFAOYSA-N 0 0 423.940 5.783 40 0 HKABRN CC(C)(C)c1ccc(OCCNC(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000224274759 568576034 /nfs/dbraw/zinc/57/60/34/568576034.db2.gz VZSZTIXVAPZQOS-UHFFFAOYSA-N 0 0 403.522 5.372 40 0 HKABRN COc1ccc(CNC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3C)c2)cc1 ZINC000224274787 568576178 /nfs/dbraw/zinc/57/61/78/568576178.db2.gz ZZGQDTJWKXGYGL-UHFFFAOYSA-N 0 0 419.521 5.138 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1cc(C)cc(C)c1C ZINC000224274860 568576116 /nfs/dbraw/zinc/57/61/16/568576116.db2.gz WTANHCFUOHMXMH-FQEVSTJZSA-N 0 0 403.522 5.690 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1cc(C)cc(C)c1C ZINC000224274913 568576129 /nfs/dbraw/zinc/57/61/29/568576129.db2.gz WTANHCFUOHMXMH-HXUWFJFHSA-N 0 0 403.522 5.690 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1C ZINC000224274929 568576200 /nfs/dbraw/zinc/57/62/00/568576200.db2.gz NMJFZQOAPKIRIA-DQEYMECFSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1C ZINC000224274974 568576151 /nfs/dbraw/zinc/57/61/51/568576151.db2.gz NMJFZQOAPKIRIA-RPBOFIJWSA-N 0 0 424.573 5.666 40 0 HKABRN COc1ccc(C(=O)NCCc2ccccc2)cc1COc1cc(C)cc(C)c1C ZINC000224274985 568576177 /nfs/dbraw/zinc/57/61/77/568576177.db2.gz BTRGGYYCEWLBLE-UHFFFAOYSA-N 0 0 403.522 5.172 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1C ZINC000224275008 568576198 /nfs/dbraw/zinc/57/61/98/568576198.db2.gz NMJFZQOAPKIRIA-LOSJGSFVSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1C ZINC000224275049 568576191 /nfs/dbraw/zinc/57/61/91/568576191.db2.gz NMJFZQOAPKIRIA-JWQCQUIFSA-N 0 0 424.573 5.666 40 0 HKABRN O=C(NCCc1ccc(Cl)cc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000224275072 526403350 /nfs/dbraw/zinc/40/33/50/526403350.db2.gz DWWZJXFELDPYIX-UHFFFAOYSA-N 0 0 400.305 5.545 40 0 HKABRN O=C(NCCOc1ccc(Cl)cc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000224275399 568576114 /nfs/dbraw/zinc/57/61/14/568576114.db2.gz ZVYFVEVBHBNPNQ-UHFFFAOYSA-N 0 0 416.304 5.381 40 0 HKABRN O=C(NCCOc1ccccc1Cl)c1ccc(OCc2ccccc2Cl)cc1 ZINC000224275481 568576184 /nfs/dbraw/zinc/57/61/84/568576184.db2.gz FMDRHEKIOBDVOH-UHFFFAOYSA-N 0 0 416.304 5.381 40 0 HKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C ZINC000224275599 568576120 /nfs/dbraw/zinc/57/61/20/568576120.db2.gz FQGBGBJLZRHRKS-VWLOTQADSA-N 0 0 420.597 5.021 40 0 HKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C ZINC000224275652 568576202 /nfs/dbraw/zinc/57/62/02/568576202.db2.gz FQGBGBJLZRHRKS-RUZDIDTESA-N 0 0 420.597 5.021 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1cc(C)cc(C)c1C ZINC000224275710 568576153 /nfs/dbraw/zinc/57/61/53/568576153.db2.gz VBLDWPXHLBANDX-UHFFFAOYSA-N 0 0 403.522 6.069 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1cc(C)cc(C)c1C ZINC000224275790 568576193 /nfs/dbraw/zinc/57/61/93/568576193.db2.gz MILYDMDIGMJTCW-UHFFFAOYSA-N 0 0 403.522 6.069 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1cc(C)cc(C)c1C ZINC000224275858 568576117 /nfs/dbraw/zinc/57/61/17/568576117.db2.gz YUTSXWAWPZXLTC-UHFFFAOYSA-N 0 0 403.522 6.069 40 0 HKABRN COc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1cc(C)cc(C)c1C ZINC000224275939 568576161 /nfs/dbraw/zinc/57/61/61/568576161.db2.gz PXPOONYAHSSENU-UHFFFAOYSA-N 0 0 403.522 6.069 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2C)c1 ZINC000224276017 568576119 /nfs/dbraw/zinc/57/61/19/568576119.db2.gz HNKOOQMFMOMPAU-UHFFFAOYSA-N 0 0 417.549 6.323 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1cc(C)cc(C)c1C ZINC000224276085 568576147 /nfs/dbraw/zinc/57/61/47/568576147.db2.gz RZTIOOMPSPBZBN-UHFFFAOYSA-N 0 0 403.522 6.069 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1cc(C)cc(C)c1C ZINC000224276150 568576127 /nfs/dbraw/zinc/57/61/27/568576127.db2.gz MAIIOVPMSMHCFY-UHFFFAOYSA-N 0 0 403.522 6.069 40 0 HKABRN CCc1ccccc1NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2C)c1 ZINC000224276225 568576149 /nfs/dbraw/zinc/57/61/49/568576149.db2.gz KRRROTBNLJCMCG-UHFFFAOYSA-N 0 0 403.522 6.014 40 0 HKABRN CCc1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3C)c2)cc1 ZINC000224276292 568576182 /nfs/dbraw/zinc/57/61/82/568576182.db2.gz YCBBJUWSESCKRM-UHFFFAOYSA-N 0 0 403.522 6.014 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1cc(C)cc(C)c1C ZINC000224276379 568576196 /nfs/dbraw/zinc/57/61/96/568576196.db2.gz LVYRQXGWSVUJHI-UHFFFAOYSA-N 0 0 417.549 6.575 40 0 HKABRN CCc1ccc(OCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000224276389 568576123 /nfs/dbraw/zinc/57/61/23/568576123.db2.gz RFFOEBZABKXRHC-UHFFFAOYSA-N 0 0 409.913 5.290 40 0 HKABRN Cc1ccc(OCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c(C)c1 ZINC000224276468 568576214 /nfs/dbraw/zinc/57/62/14/568576214.db2.gz KPJVIZXMXIUVOJ-UHFFFAOYSA-N 0 0 409.913 5.345 40 0 HKABRN Cc1ccc(OCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1C ZINC000224276624 568576216 /nfs/dbraw/zinc/57/62/16/568576216.db2.gz AANDIYPPMJDDKM-UHFFFAOYSA-N 0 0 409.913 5.345 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1cc(C)cc(C)c1C ZINC000224276756 568576244 /nfs/dbraw/zinc/57/62/44/568576244.db2.gz ZTAZBXUUNNJBKJ-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1cc(C)cc(C)c1C ZINC000224276837 568576247 /nfs/dbraw/zinc/57/62/47/568576247.db2.gz HJSVFXLMWWHEAR-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1C ZINC000224276913 568576230 /nfs/dbraw/zinc/57/62/30/568576230.db2.gz FDMXRILSSMCCPL-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN CCCc1ccc(OCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000224276935 568576264 /nfs/dbraw/zinc/57/62/64/568576264.db2.gz ZZPKSPBCOGDEME-UHFFFAOYSA-N 0 0 423.940 5.680 40 0 HKABRN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(OCc2ccccc2Cl)cc1 ZINC000224277012 568576215 /nfs/dbraw/zinc/57/62/15/568576215.db2.gz GGBROYALYSHRLE-UHFFFAOYSA-N 0 0 413.904 6.423 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1cc(C)cc(C)c1C ZINC000224277321 568576236 /nfs/dbraw/zinc/57/62/36/568576236.db2.gz GCGBSAKKDKGLSF-UHFFFAOYSA-N 0 0 423.940 6.414 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1cc(C)cc(C)c1C ZINC000224277398 568576217 /nfs/dbraw/zinc/57/62/17/568576217.db2.gz XHDMGYIIZSUDIF-UHFFFAOYSA-N 0 0 423.940 6.414 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1cc(C)cc(C)c1C ZINC000224277465 568576283 /nfs/dbraw/zinc/57/62/83/568576283.db2.gz SEYYZDIBPGKGHV-UHFFFAOYSA-N 0 0 423.940 6.414 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1cc(C)cc(C)c1C ZINC000224277542 568576288 /nfs/dbraw/zinc/57/62/88/568576288.db2.gz CWEGNLBVWRGLIX-UHFFFAOYSA-N 0 0 423.940 6.414 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1cc(C)cc(C)c1C ZINC000224278030 568576275 /nfs/dbraw/zinc/57/62/75/568576275.db2.gz ICDVNVYDZXKICP-UHFFFAOYSA-N 0 0 411.448 5.730 40 0 HKABRN COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1cc(C)cc(C)c1C ZINC000224278100 568576220 /nfs/dbraw/zinc/57/62/20/568576220.db2.gz QPLIIAGPGVHRBJ-UHFFFAOYSA-N 0 0 411.448 5.730 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc(OC)c(C)c1 ZINC000224278640 568576255 /nfs/dbraw/zinc/57/62/55/568576255.db2.gz KLPLQABDOKNKGF-CAZPATRMSA-N 0 0 419.952 6.465 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc(OC)c(C)c1 ZINC000224278687 568576286 /nfs/dbraw/zinc/57/62/86/568576286.db2.gz KLPLQABDOKNKGF-INOOMSPWSA-N 0 0 419.952 6.465 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2OC)cc1COc1cc(C)cc(C)c1C ZINC000224278690 568576271 /nfs/dbraw/zinc/57/62/71/568576271.db2.gz ZBWQTADIWZGKJL-UHFFFAOYSA-N 0 0 405.494 5.460 40 0 HKABRN COc1cccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3C)c2)c1 ZINC000224278758 568576269 /nfs/dbraw/zinc/57/62/69/568576269.db2.gz UAJVYOOXIZURFZ-UHFFFAOYSA-N 0 0 405.494 5.460 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3C)c2)cc1 ZINC000224278832 568576279 /nfs/dbraw/zinc/57/62/79/568576279.db2.gz FXLCIKFJXGOKAN-UHFFFAOYSA-N 0 0 405.494 5.460 40 0 HKABRN CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2C)c1 ZINC000224278902 568576329 /nfs/dbraw/zinc/57/63/29/568576329.db2.gz AJPCPCMFWUWWEB-UHFFFAOYSA-N 0 0 419.521 5.850 40 0 HKABRN CCOc1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3C)c2)cc1 ZINC000224278970 568576349 /nfs/dbraw/zinc/57/63/49/568576349.db2.gz FIPWFUMPBOPCHG-UHFFFAOYSA-N 0 0 419.521 5.850 40 0 HKABRN COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1cc(C)cc(C)c1C ZINC000224279425 568576381 /nfs/dbraw/zinc/57/63/81/568576381.db2.gz GJRJVRLUPICZJV-UHFFFAOYSA-N 0 0 419.477 5.180 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1cc(C)cc(C)c1C ZINC000224279577 568576383 /nfs/dbraw/zinc/57/63/83/568576383.db2.gz CKFJNYXTFNQRTK-UHFFFAOYSA-N 0 0 419.521 5.769 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1cc(C)cc(C)c1C ZINC000224279784 568576390 /nfs/dbraw/zinc/57/63/90/568576390.db2.gz NZQLPAWPPBHFTA-UHFFFAOYSA-N 0 0 421.562 6.174 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1cc(C)cc(C)c1C ZINC000224280231 568576419 /nfs/dbraw/zinc/57/64/19/568576419.db2.gz XWMDTWJSPFXUED-UHFFFAOYSA-N 0 0 417.505 5.654 40 0 HKABRN CC(C)(C)c1ccc(OCCNC(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000224280477 568576410 /nfs/dbraw/zinc/57/64/10/568576410.db2.gz QINPBAABYXZTSD-UHFFFAOYSA-N 0 0 401.550 5.578 40 0 HKABRN COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1cc(C)cc(C)c1C ZINC000224280506 568576408 /nfs/dbraw/zinc/57/64/08/568576408.db2.gz KCSRCTSLZSZAEV-UHFFFAOYSA-N 0 0 403.522 5.472 40 0 HKABRN COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1cc(C)cc(C)c1C ZINC000224282017 568576466 /nfs/dbraw/zinc/57/64/66/568576466.db2.gz SKEBJHZLGPDBJP-UHFFFAOYSA-N 0 0 415.533 5.398 40 0 HKABRN COc1ccccc1CNC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2C)c1 ZINC000224282173 568576435 /nfs/dbraw/zinc/57/64/35/568576435.db2.gz XAOVKKIDJWTHJM-UHFFFAOYSA-N 0 0 419.521 5.138 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1cc(C)cc(C)c1C ZINC000224282681 568576491 /nfs/dbraw/zinc/57/64/91/568576491.db2.gz XFFAVGOFGVZXKR-UHFFFAOYSA-N 0 0 421.562 6.174 40 0 HKABRN COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1cc(C)cc(C)c1C ZINC000224282899 568576443 /nfs/dbraw/zinc/57/64/43/568576443.db2.gz APFWRQFYJOWJIW-UHFFFAOYSA-N 0 0 417.549 6.377 40 0 HKABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000224282920 568576509 /nfs/dbraw/zinc/57/65/09/568576509.db2.gz HHWORSBJNTZXQP-VWLOTQADSA-N 0 0 420.597 5.021 40 0 HKABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000224282963 568576515 /nfs/dbraw/zinc/57/65/15/568576515.db2.gz HHWORSBJNTZXQP-RUZDIDTESA-N 0 0 420.597 5.021 40 0 HKABRN CCc1ccc(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000224283308 568576437 /nfs/dbraw/zinc/57/64/37/568576437.db2.gz KSVFAQIKZXGSKY-UHFFFAOYSA-N 0 0 414.549 5.980 40 0 HKABRN COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1cc(C)cc(C)c1C ZINC000224283880 568576446 /nfs/dbraw/zinc/57/64/46/568576446.db2.gz ZXESIBDOKPTUQF-UHFFFAOYSA-N 0 0 409.570 6.042 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1cc(C)cc(C)c1C ZINC000224284575 568576449 /nfs/dbraw/zinc/57/64/49/568576449.db2.gz ZVFMPTMMHWKNRU-UHFFFAOYSA-N 0 0 407.485 5.269 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1C ZINC000224284593 568576434 /nfs/dbraw/zinc/57/64/34/568576434.db2.gz NOMDBLOOQIIZSB-ZEQRLZLVSA-N 0 0 416.594 5.792 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1C ZINC000224284641 568576452 /nfs/dbraw/zinc/57/64/52/568576452.db2.gz NOMDBLOOQIIZSB-RPWUZVMVSA-N 0 0 416.594 5.792 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1cc(C)cc(C)c1C ZINC000224284647 568576440 /nfs/dbraw/zinc/57/64/40/568576440.db2.gz JPKSSCBPATVQQC-IBGZPJMESA-N 0 0 421.512 5.830 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1C ZINC000224284678 568576570 /nfs/dbraw/zinc/57/65/70/568576570.db2.gz NOMDBLOOQIIZSB-BJKOFHAPSA-N 0 0 416.594 5.792 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1cc(C)cc(C)c1C ZINC000224284709 568576556 /nfs/dbraw/zinc/57/65/56/568576556.db2.gz JPKSSCBPATVQQC-LJQANCHMSA-N 0 0 421.512 5.830 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1C ZINC000224284726 568576555 /nfs/dbraw/zinc/57/65/55/568576555.db2.gz NOMDBLOOQIIZSB-DNQXCXABSA-N 0 0 416.594 5.792 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1C ZINC000224284956 568576584 /nfs/dbraw/zinc/57/65/84/568576584.db2.gz ODOHBCMRRSEEHT-DQEYMECFSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1C ZINC000224285002 568576575 /nfs/dbraw/zinc/57/65/75/568576575.db2.gz ODOHBCMRRSEEHT-RPBOFIJWSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1C ZINC000224285042 568576590 /nfs/dbraw/zinc/57/65/90/568576590.db2.gz ODOHBCMRRSEEHT-LOSJGSFVSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1C ZINC000224285090 568576599 /nfs/dbraw/zinc/57/65/99/568576599.db2.gz ODOHBCMRRSEEHT-JWQCQUIFSA-N 0 0 424.573 5.666 40 0 HKABRN COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccc(C)c(C)c1 ZINC000224286213 568576567 /nfs/dbraw/zinc/57/65/67/568576567.db2.gz ZDSSAHKPCYKSDT-UHFFFAOYSA-N 0 0 409.913 5.474 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccc(C)c(C)c1 ZINC000224286302 568576564 /nfs/dbraw/zinc/57/65/64/568576564.db2.gz LTBZYBIWOBMLBJ-UHFFFAOYSA-N 0 0 409.913 5.474 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2ccc(C)c(C)c2)c1 ZINC000224288437 568576552 /nfs/dbraw/zinc/57/65/52/568576552.db2.gz NOHVEHQLUZQAPL-UHFFFAOYSA-N 0 0 403.522 6.014 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224288687 568576579 /nfs/dbraw/zinc/57/65/79/568576579.db2.gz VGEAZCUWNJWPDY-UHFFFAOYSA-N 0 0 422.550 5.196 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccc(C)c(C)c1 ZINC000224288824 568576577 /nfs/dbraw/zinc/57/65/77/568576577.db2.gz UGMBRAZZJYPALI-UHFFFAOYSA-N 0 0 403.522 6.267 40 0 HKABRN COc1ccc(C(=O)Nc2cccc3ccccc32)cc1COc1ccc(C)c(C)c1 ZINC000224288899 568576581 /nfs/dbraw/zinc/57/65/81/568576581.db2.gz RXUJDMKJSAKAOE-UHFFFAOYSA-N 0 0 411.501 6.297 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccc(C)c(C)c1 ZINC000224289738 568576595 /nfs/dbraw/zinc/57/65/95/568576595.db2.gz KTZSAZNKYWPZHB-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccc(C)c(C)c1 ZINC000224289818 568576586 /nfs/dbraw/zinc/57/65/86/568576586.db2.gz IYYHBLZDRNNOPG-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccc(C)c(C)c1 ZINC000224289890 568576606 /nfs/dbraw/zinc/57/66/06/568576606.db2.gz WUVXPRXPJOLUNE-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccc(C)c(C)c1 ZINC000224289960 568576560 /nfs/dbraw/zinc/57/65/60/568576560.db2.gz UKVFOPTZCBCHNV-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccc(C)c(C)c1 ZINC000224290651 568576600 /nfs/dbraw/zinc/57/66/00/568576600.db2.gz GNDLIEXGXMQBHF-UHFFFAOYSA-N 0 0 413.876 5.936 40 0 HKABRN CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2ccc(C)c(C)c2)c1 ZINC000224291341 568576744 /nfs/dbraw/zinc/57/67/44/568576744.db2.gz XKFPNCYARMHFOS-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C)c(C)c3)c2)cc1 ZINC000224291418 568576750 /nfs/dbraw/zinc/57/67/50/568576750.db2.gz NQUUMTOPJLELSP-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C)c(C)c3)c2)c(OC)c1 ZINC000224291642 568576721 /nfs/dbraw/zinc/57/67/21/568576721.db2.gz ZPYZPQQQNPAOJT-UHFFFAOYSA-N 0 0 421.493 5.161 40 0 HKABRN COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COc3ccc(C)c(C)c3)c2)c1 ZINC000224291718 568576706 /nfs/dbraw/zinc/57/67/06/568576706.db2.gz PWLLQZCLBJEMTO-UHFFFAOYSA-N 0 0 421.493 5.161 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccc(C)c(C)c1 ZINC000224291794 568576729 /nfs/dbraw/zinc/57/67/29/568576729.db2.gz GBCGBPNOUNZQHL-UHFFFAOYSA-N 0 0 421.493 5.161 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccc(C)c(C)c1 ZINC000224292023 568576661 /nfs/dbraw/zinc/57/66/61/568576661.db2.gz VVFIMIKDVMFTEL-UHFFFAOYSA-N 0 0 405.494 5.460 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccc(C)c(C)c1 ZINC000224292263 568576686 /nfs/dbraw/zinc/57/66/86/568576686.db2.gz KLOUMUMGYGMNGI-UHFFFAOYSA-N 0 0 407.535 5.865 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccc(C)c(C)c1 ZINC000224292704 568576719 /nfs/dbraw/zinc/57/67/19/568576719.db2.gz XSWYFEJHKYARFA-UHFFFAOYSA-N 0 0 403.478 5.346 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccc(C)c(C)c1 ZINC000224292857 568576757 /nfs/dbraw/zinc/57/67/57/568576757.db2.gz CVHOKOSNCCSEBU-UHFFFAOYSA-N 0 0 418.493 5.102 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1C1CC1 ZINC000224293397 568576714 /nfs/dbraw/zinc/57/67/14/568576714.db2.gz JNOZQLOUZOJIIV-DNQXCXABSA-N 0 0 416.594 5.629 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1C1CC1 ZINC000224293442 568576745 /nfs/dbraw/zinc/57/67/45/568576745.db2.gz JNOZQLOUZOJIIV-RPWUZVMVSA-N 0 0 416.594 5.629 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1C1CC1 ZINC000224293472 568576756 /nfs/dbraw/zinc/57/67/56/568576756.db2.gz JNOZQLOUZOJIIV-BJKOFHAPSA-N 0 0 416.594 5.629 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1C1CC1 ZINC000224293527 568576748 /nfs/dbraw/zinc/57/67/48/568576748.db2.gz JNOZQLOUZOJIIV-ZEQRLZLVSA-N 0 0 416.594 5.629 40 0 HKABRN Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224294275 568576667 /nfs/dbraw/zinc/57/66/67/568576667.db2.gz OMSLPLGMNQZMJL-UHFFFAOYSA-N 0 0 422.550 5.196 40 0 HKABRN COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc(C)c(C)c1 ZINC000224294525 568576708 /nfs/dbraw/zinc/57/67/08/568576708.db2.gz DWFJDLFXJJEPTN-UHFFFAOYSA-N 0 0 401.506 5.090 40 0 HKABRN COc1ccc(-c2nnc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)s2)cc1 ZINC000224294952 568576752 /nfs/dbraw/zinc/57/67/52/568576752.db2.gz VRFRLENUNJFEHI-WEVVVXLNSA-N 0 0 406.294 5.172 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C)c(C)c3)c2)cc1 ZINC000224295156 568576740 /nfs/dbraw/zinc/57/67/40/568576740.db2.gz LXOKRFZKWJUANV-UHFFFAOYSA-N 0 0 417.549 6.486 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccc(C)c(C)c1 ZINC000224295237 568576794 /nfs/dbraw/zinc/57/67/94/568576794.db2.gz IHHYCZAAIVZTJA-UHFFFAOYSA-N 0 0 407.535 5.865 40 0 HKABRN COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc(C)c(C)c1 ZINC000224295471 568576833 /nfs/dbraw/zinc/57/68/33/568576833.db2.gz WSSHGTYMMKVJFD-UHFFFAOYSA-N 0 0 403.522 6.069 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2ccc(C)c(C)c2)c1 ZINC000224295554 568576850 /nfs/dbraw/zinc/57/68/50/568576850.db2.gz POPGPOXJRORQIW-UHFFFAOYSA-N 0 0 417.549 6.268 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccc(C)c(C)c1 ZINC000224295987 568576862 /nfs/dbraw/zinc/57/68/62/568576862.db2.gz JIUUDZKSNKUMFW-UHFFFAOYSA-N 0 0 418.493 5.102 40 0 HKABRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)c1 ZINC000224296220 568576821 /nfs/dbraw/zinc/57/68/21/568576821.db2.gz WFAYGDXMQGSPDN-ZEQRLZLVSA-N 0 0 416.594 5.792 40 0 HKABRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)c1 ZINC000224296271 568576796 /nfs/dbraw/zinc/57/67/96/568576796.db2.gz WFAYGDXMQGSPDN-RPWUZVMVSA-N 0 0 416.594 5.792 40 0 HKABRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)c1 ZINC000224296304 568576848 /nfs/dbraw/zinc/57/68/48/568576848.db2.gz WFAYGDXMQGSPDN-BJKOFHAPSA-N 0 0 416.594 5.792 40 0 HKABRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)c1 ZINC000224296359 568576775 /nfs/dbraw/zinc/57/67/75/568576775.db2.gz WFAYGDXMQGSPDN-DNQXCXABSA-N 0 0 416.594 5.792 40 0 HKABRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)c1 ZINC000224296434 568576847 /nfs/dbraw/zinc/57/68/47/568576847.db2.gz ZOTQPMZEVKRSSZ-VXKWHMMOSA-N 0 0 404.583 5.432 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccc(C)c(C)c1 ZINC000224296479 568576784 /nfs/dbraw/zinc/57/67/84/568576784.db2.gz KHHGXZAOJVIGKM-NRFANRHFSA-N 0 0 417.549 5.642 40 0 HKABRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)c1 ZINC000224296490 568576811 /nfs/dbraw/zinc/57/68/11/568576811.db2.gz ZOTQPMZEVKRSSZ-YADHBBJMSA-N 0 0 404.583 5.432 40 0 HKABRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)c1 ZINC000224296531 568576863 /nfs/dbraw/zinc/57/68/63/568576863.db2.gz ZOTQPMZEVKRSSZ-FCHUYYIVSA-N 0 0 404.583 5.432 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccc(C)c(C)c1 ZINC000224296536 568576860 /nfs/dbraw/zinc/57/68/60/568576860.db2.gz KHHGXZAOJVIGKM-OAQYLSRUSA-N 0 0 417.549 5.642 40 0 HKABRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)c1 ZINC000224296584 568576849 /nfs/dbraw/zinc/57/68/49/568576849.db2.gz ZOTQPMZEVKRSSZ-FGZHOGPDSA-N 0 0 404.583 5.432 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccc(C)c(C)c1 ZINC000224297121 568576831 /nfs/dbraw/zinc/57/68/31/568576831.db2.gz PPKVCMJOLFPUFY-SFHVURJKSA-N 0 0 423.940 6.035 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccc(C)c(C)c1 ZINC000224297177 568576780 /nfs/dbraw/zinc/57/67/80/568576780.db2.gz PPKVCMJOLFPUFY-GOSISDBHSA-N 0 0 423.940 6.035 40 0 HKABRN CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C ZINC000224297202 568576790 /nfs/dbraw/zinc/57/67/90/568576790.db2.gz BUTJJGBKTLWMAP-DHIUTWEWSA-N 0 0 404.583 5.314 40 0 HKABRN CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C ZINC000224297248 568576810 /nfs/dbraw/zinc/57/68/10/568576810.db2.gz BUTJJGBKTLWMAP-PKTZIBPZSA-N 0 0 404.583 5.314 40 0 HKABRN CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C ZINC000224297289 568576835 /nfs/dbraw/zinc/57/68/35/568576835.db2.gz BUTJJGBKTLWMAP-XZOQPEGZSA-N 0 0 404.583 5.314 40 0 HKABRN CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C ZINC000224297337 568576857 /nfs/dbraw/zinc/57/68/57/568576857.db2.gz BUTJJGBKTLWMAP-GOTSBHOMSA-N 0 0 404.583 5.314 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1C(C)C ZINC000224297401 568576807 /nfs/dbraw/zinc/57/68/07/568576807.db2.gz DLHQNYYSWCPYJZ-DNQXCXABSA-N 0 0 418.610 5.875 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccc(C)c(C)c1 ZINC000224297415 568576859 /nfs/dbraw/zinc/57/68/59/568576859.db2.gz VBJASXHICQSXFB-SFHVURJKSA-N 0 0 407.485 5.521 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1C(C)C ZINC000224297455 568576883 /nfs/dbraw/zinc/57/68/83/568576883.db2.gz DLHQNYYSWCPYJZ-RPWUZVMVSA-N 0 0 418.610 5.875 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccc(C)c(C)c1 ZINC000224297473 568576944 /nfs/dbraw/zinc/57/69/44/568576944.db2.gz VBJASXHICQSXFB-GOSISDBHSA-N 0 0 407.485 5.521 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1C(C)C ZINC000224297493 568576892 /nfs/dbraw/zinc/57/68/92/568576892.db2.gz DLHQNYYSWCPYJZ-BJKOFHAPSA-N 0 0 418.610 5.875 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1C(C)C ZINC000224297547 568576957 /nfs/dbraw/zinc/57/69/57/568576957.db2.gz DLHQNYYSWCPYJZ-ZEQRLZLVSA-N 0 0 418.610 5.875 40 0 HKABRN COc1ccc(C(=O)NC2CCCCCC2)cc1COc1cccc2ccccc21 ZINC000224298642 568576953 /nfs/dbraw/zinc/57/69/53/568576953.db2.gz TVKXTWSILVLLQL-UHFFFAOYSA-N 0 0 403.522 5.880 40 0 HKABRN COc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1cccc2ccccc21 ZINC000224298696 568576940 /nfs/dbraw/zinc/57/69/40/568576940.db2.gz VMTVULUUZFPTPD-UHFFFAOYSA-N 0 0 415.533 6.048 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1cccc2ccccc21 ZINC000224298804 568576879 /nfs/dbraw/zinc/57/68/79/568576879.db2.gz AITPAXHCLSQNJB-UHFFFAOYSA-N 0 0 411.501 5.666 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1cccc2ccccc21 ZINC000224299205 568576941 /nfs/dbraw/zinc/57/69/41/568576941.db2.gz CBRCJXSRFFDEJR-IBGZPJMESA-N 0 0 411.501 5.918 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1cccc2ccccc21 ZINC000224299259 568576962 /nfs/dbraw/zinc/57/69/62/568576962.db2.gz CBRCJXSRFFDEJR-LJQANCHMSA-N 0 0 411.501 5.918 40 0 HKABRN COc1ccc(C(=O)NCCc2ccccc2)cc1COc1cccc2ccccc21 ZINC000224299339 568576943 /nfs/dbraw/zinc/57/69/43/568576943.db2.gz XJSAOMQFHKQLBH-UHFFFAOYSA-N 0 0 411.501 5.400 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1cccc2ccccc21 ZINC000224300064 568577049 /nfs/dbraw/zinc/57/70/49/568577049.db2.gz OEOYCGYLXGOQIA-UHFFFAOYSA-N 0 0 411.501 6.297 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1cccc2ccccc21 ZINC000224300138 568577015 /nfs/dbraw/zinc/57/70/15/568577015.db2.gz YCBFSRNBRDIXGK-UHFFFAOYSA-N 0 0 411.501 6.297 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1cccc2ccccc21 ZINC000224300218 568576993 /nfs/dbraw/zinc/57/69/93/568576993.db2.gz ZFNOLAVRJLZVGV-UHFFFAOYSA-N 0 0 411.501 6.297 40 0 HKABRN COc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1cccc2ccccc21 ZINC000224300293 568577019 /nfs/dbraw/zinc/57/70/19/568577019.db2.gz CEMGNFMBRGRWJX-UHFFFAOYSA-N 0 0 411.501 6.297 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1cccc2ccccc21 ZINC000224300458 568576964 /nfs/dbraw/zinc/57/69/64/568576964.db2.gz VZVHWEZFOHEATA-UHFFFAOYSA-N 0 0 411.501 6.297 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1cccc2ccccc21 ZINC000224300529 568577010 /nfs/dbraw/zinc/57/70/10/568577010.db2.gz ZVHZZJMVFWCQED-UHFFFAOYSA-N 0 0 411.501 6.297 40 0 HKABRN CCc1ccccc1NC(=O)c1ccc(OC)c(COc2cccc3ccccc32)c1 ZINC000224300595 568577057 /nfs/dbraw/zinc/57/70/57/568577057.db2.gz RSFMHOWWHHLVET-UHFFFAOYSA-N 0 0 411.501 6.242 40 0 HKABRN CCc1ccc(NC(=O)c2ccc(OC)c(COc3cccc4ccccc43)c2)cc1 ZINC000224300667 568577026 /nfs/dbraw/zinc/57/70/26/568577026.db2.gz BUUVXLGINFXUTG-UHFFFAOYSA-N 0 0 411.501 6.242 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2F)cc1COc1cccc2ccccc21 ZINC000224300911 568577028 /nfs/dbraw/zinc/57/70/28/568577028.db2.gz QESVJKYGMABDHO-UHFFFAOYSA-N 0 0 401.437 5.819 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1cccc2ccccc21 ZINC000224300992 568576995 /nfs/dbraw/zinc/57/69/95/568576995.db2.gz KBEWXSQLGPNQNH-UHFFFAOYSA-N 0 0 401.437 5.819 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1cccc2ccccc21 ZINC000224301060 568577043 /nfs/dbraw/zinc/57/70/43/568577043.db2.gz LLIIAERHNORZFW-UHFFFAOYSA-N 0 0 401.437 5.819 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1cccc2ccccc21 ZINC000224301135 568576974 /nfs/dbraw/zinc/57/69/74/568576974.db2.gz FPQABKGURANLHJ-UHFFFAOYSA-N 0 0 417.892 6.333 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1cccc2ccccc21 ZINC000224301211 568577007 /nfs/dbraw/zinc/57/70/07/568577007.db2.gz MDJIGFDVQHRIAV-UHFFFAOYSA-N 0 0 417.892 6.333 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1cccc2ccccc21 ZINC000224301288 568576983 /nfs/dbraw/zinc/57/69/83/568576983.db2.gz PLRHRMHCYREUGE-UHFFFAOYSA-N 0 0 417.892 6.333 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1cccc2ccccc21 ZINC000224302391 568577132 /nfs/dbraw/zinc/57/71/32/568577132.db2.gz HPOAQDAMFUGHMN-UHFFFAOYSA-N 0 0 419.427 5.958 40 0 HKABRN COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1cccc2ccccc21 ZINC000224302450 568577151 /nfs/dbraw/zinc/57/71/51/568577151.db2.gz GAHNOLISBDBNOS-UHFFFAOYSA-N 0 0 419.427 5.958 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2OC)cc1COc1cccc2ccccc21 ZINC000224303039 568577085 /nfs/dbraw/zinc/57/70/85/568577085.db2.gz MQTDQPWSKRFMEM-UHFFFAOYSA-N 0 0 413.473 5.688 40 0 HKABRN COc1cccc(NC(=O)c2ccc(OC)c(COc3cccc4ccccc43)c2)c1 ZINC000224303112 568577068 /nfs/dbraw/zinc/57/70/68/568577068.db2.gz RBICGWDJSZTMNV-UHFFFAOYSA-N 0 0 413.473 5.688 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OC)c(COc3cccc4ccccc43)c2)cc1 ZINC000224303193 568577098 /nfs/dbraw/zinc/57/70/98/568577098.db2.gz XCKXOCOHSWRRPM-UHFFFAOYSA-N 0 0 413.473 5.688 40 0 HKABRN COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1cccc2ccccc21 ZINC000224304868 568577190 /nfs/dbraw/zinc/57/71/90/568577190.db2.gz GDFHVKOUGJWCDB-UHFFFAOYSA-N 0 0 411.501 5.700 40 0 HKABRN COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1cccc2ccccc21 ZINC000224306235 568577231 /nfs/dbraw/zinc/57/72/31/568577231.db2.gz SANKPJFAWMVPMB-UHFFFAOYSA-N 0 0 423.512 5.626 40 0 HKABRN COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1cccc2ccccc21 ZINC000224308029 568577301 /nfs/dbraw/zinc/57/73/01/568577301.db2.gz BRHYGBREBDQLSJ-UHFFFAOYSA-N 0 0 417.549 6.270 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1cccc2ccccc21 ZINC000224308731 568577352 /nfs/dbraw/zinc/57/73/52/568577352.db2.gz YVILSICNZYOAAM-UHFFFAOYSA-N 0 0 415.464 5.497 40 0 HKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000224309623 568577451 /nfs/dbraw/zinc/57/74/51/568577451.db2.gz QACBYEMJXVEKJG-MRXNPFEDSA-N 0 0 401.919 5.271 40 0 HKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000224309668 568577411 /nfs/dbraw/zinc/57/74/11/568577411.db2.gz QACBYEMJXVEKJG-INIZCTEOSA-N 0 0 401.919 5.271 40 0 HKABRN COc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccc2ccccc2c1 ZINC000224309836 568577396 /nfs/dbraw/zinc/57/73/96/568577396.db2.gz KWDQOBDCXCDGRL-UHFFFAOYSA-N 0 0 403.522 5.880 40 0 HKABRN COc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccc2ccccc2c1 ZINC000224309883 568577407 /nfs/dbraw/zinc/57/74/07/568577407.db2.gz WBSVDIAHKWVRTM-UHFFFAOYSA-N 0 0 415.533 6.048 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccc2ccccc2c1 ZINC000224309987 568577399 /nfs/dbraw/zinc/57/73/99/568577399.db2.gz UELLCEAKMCNNPA-UHFFFAOYSA-N 0 0 411.501 5.666 40 0 HKABRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)c1 ZINC000224310081 568577413 /nfs/dbraw/zinc/57/74/13/568577413.db2.gz AKUPDAVQPOFPSI-DQEYMECFSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)c1 ZINC000224310133 568577418 /nfs/dbraw/zinc/57/74/18/568577418.db2.gz AKUPDAVQPOFPSI-RPBOFIJWSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)c1 ZINC000224310168 568577460 /nfs/dbraw/zinc/57/74/60/568577460.db2.gz AKUPDAVQPOFPSI-LOSJGSFVSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)c1 ZINC000224310211 568577430 /nfs/dbraw/zinc/57/74/30/568577430.db2.gz AKUPDAVQPOFPSI-JWQCQUIFSA-N 0 0 424.573 5.666 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccc2ccccc2c1 ZINC000224310366 568577401 /nfs/dbraw/zinc/57/74/01/568577401.db2.gz GIVSSACXRLKPHI-IBGZPJMESA-N 0 0 411.501 5.918 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccc2ccccc2c1 ZINC000224310415 568577420 /nfs/dbraw/zinc/57/74/20/568577420.db2.gz GIVSSACXRLKPHI-LJQANCHMSA-N 0 0 411.501 5.918 40 0 HKABRN COc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc2ccccc2c1 ZINC000224310490 568577390 /nfs/dbraw/zinc/57/73/90/568577390.db2.gz KNUGPEOIJFVTDK-UHFFFAOYSA-N 0 0 411.501 5.400 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccc2ccccc2c1 ZINC000224311223 568577531 /nfs/dbraw/zinc/57/75/31/568577531.db2.gz CIZPPEBCUURYSW-UHFFFAOYSA-N 0 0 411.501 6.297 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccc2ccccc2c1 ZINC000224311299 568577519 /nfs/dbraw/zinc/57/75/19/568577519.db2.gz BEMSRLHUAXUAIA-UHFFFAOYSA-N 0 0 411.501 6.297 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccc2ccccc2c1 ZINC000224311365 568577541 /nfs/dbraw/zinc/57/75/41/568577541.db2.gz IQTLUECLKDDBCQ-UHFFFAOYSA-N 0 0 411.501 6.297 40 0 HKABRN COc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccc2ccccc2c1 ZINC000224311442 568577543 /nfs/dbraw/zinc/57/75/43/568577543.db2.gz MTJCYHRJVIGIDU-UHFFFAOYSA-N 0 0 411.501 6.297 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccc2ccccc2c1 ZINC000224311610 568577558 /nfs/dbraw/zinc/57/75/58/568577558.db2.gz PMJMDQHAPGOJMF-UHFFFAOYSA-N 0 0 411.501 6.297 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccc2ccccc2c1 ZINC000224311685 568577507 /nfs/dbraw/zinc/57/75/07/568577507.db2.gz DKHQBNBILVUSKX-UHFFFAOYSA-N 0 0 411.501 6.297 40 0 HKABRN CCc1ccccc1NC(=O)c1ccc(OC)c(COc2ccc3ccccc3c2)c1 ZINC000224311762 568577527 /nfs/dbraw/zinc/57/75/27/568577527.db2.gz INVQNULTLCEUQS-UHFFFAOYSA-N 0 0 411.501 6.242 40 0 HKABRN CCc1ccc(NC(=O)c2ccc(OC)c(COc3ccc4ccccc4c3)c2)cc1 ZINC000224311846 568577550 /nfs/dbraw/zinc/57/75/50/568577550.db2.gz LVJSYJAUUDWDEX-UHFFFAOYSA-N 0 0 411.501 6.242 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccc2ccccc2c1 ZINC000224312070 568577533 /nfs/dbraw/zinc/57/75/33/568577533.db2.gz IKMAXHPLUXNWFZ-UHFFFAOYSA-N 0 0 401.437 5.819 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccc2ccccc2c1 ZINC000224312139 568577535 /nfs/dbraw/zinc/57/75/35/568577535.db2.gz HVRZNZTWYHYZDF-UHFFFAOYSA-N 0 0 401.437 5.819 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccc2ccccc2c1 ZINC000224312216 568577502 /nfs/dbraw/zinc/57/75/02/568577502.db2.gz VBHDJXCUGCXGIQ-UHFFFAOYSA-N 0 0 401.437 5.819 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccc2ccccc2c1 ZINC000224312288 568577501 /nfs/dbraw/zinc/57/75/01/568577501.db2.gz XJKJRCVFSWSOSE-UHFFFAOYSA-N 0 0 417.892 6.333 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccc2ccccc2c1 ZINC000224312372 568577534 /nfs/dbraw/zinc/57/75/34/568577534.db2.gz DKGPHZDQSCMJBN-UHFFFAOYSA-N 0 0 417.892 6.333 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccc2ccccc2c1 ZINC000224312449 568577546 /nfs/dbraw/zinc/57/75/46/568577546.db2.gz GTJUNTZDDXBMCB-UHFFFAOYSA-N 0 0 417.892 6.333 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccc2ccccc2c1 ZINC000224313607 568577627 /nfs/dbraw/zinc/57/76/27/568577627.db2.gz JDCYPEBWBRHWJJ-UHFFFAOYSA-N 0 0 419.427 5.958 40 0 HKABRN COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccc2ccccc2c1 ZINC000224313681 568577671 /nfs/dbraw/zinc/57/76/71/568577671.db2.gz ZAEXABBIGMEYTK-UHFFFAOYSA-N 0 0 419.427 5.958 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccc2ccccc2c1 ZINC000224314285 568577628 /nfs/dbraw/zinc/57/76/28/568577628.db2.gz TYRPHKSBCNSMIL-UHFFFAOYSA-N 0 0 413.473 5.688 40 0 HKABRN COc1cccc(NC(=O)c2ccc(OC)c(COc3ccc4ccccc4c3)c2)c1 ZINC000224314361 568577605 /nfs/dbraw/zinc/57/76/05/568577605.db2.gz QTXBCVJAMNHWCS-UHFFFAOYSA-N 0 0 413.473 5.688 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc4ccccc4c3)c2)cc1 ZINC000224314435 568577607 /nfs/dbraw/zinc/57/76/07/568577607.db2.gz BVQXWNHBRVBHBH-UHFFFAOYSA-N 0 0 413.473 5.688 40 0 HKABRN CC(C)(C)c1ccc(OCCNC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000224315829 568577740 /nfs/dbraw/zinc/57/77/40/568577740.db2.gz XIYDAQHHHOZZFB-UHFFFAOYSA-N 0 0 401.550 5.701 40 0 HKABRN COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccc2ccccc2c1 ZINC000224316228 568577761 /nfs/dbraw/zinc/57/77/61/568577761.db2.gz MPFJYOJFDUTFCW-UHFFFAOYSA-N 0 0 411.501 5.700 40 0 HKABRN O=C(Nc1ccc2c(c1)oc1ccccc12)N1c2ccccc2Sc2ccccc21 ZINC000224316832 568577752 /nfs/dbraw/zinc/57/77/52/568577752.db2.gz NQYYRSMLKGXSHT-UHFFFAOYSA-N 0 0 408.482 7.421 40 0 HKABRN O=C(Nc1ccc(OC2CCCC2)cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000224316877 568577702 /nfs/dbraw/zinc/57/77/02/568577702.db2.gz OOSGYPZCBCBBMR-QJOMJCCJSA-N 0 0 416.477 5.011 40 0 HKABRN O=C(Nc1ccc(Cc2ccncc2)cc1)N1c2ccccc2Sc2ccccc21 ZINC000224317145 568577754 /nfs/dbraw/zinc/57/77/54/568577754.db2.gz VZVFCTPQDDEJKJ-UHFFFAOYSA-N 0 0 409.514 6.507 40 0 HKABRN CC(C)(C)c1ccc(OCCNC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000224317295 568577753 /nfs/dbraw/zinc/57/77/53/568577753.db2.gz XZANOGYHAAXTSB-UHFFFAOYSA-N 0 0 418.562 6.375 40 0 HKABRN CCCc1ccc(OCCNC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000224317366 568577748 /nfs/dbraw/zinc/57/77/48/568577748.db2.gz ZDAVACRPBSJRRO-UHFFFAOYSA-N 0 0 404.535 6.030 40 0 HKABRN COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc2ccccc2c1 ZINC000224317742 568577732 /nfs/dbraw/zinc/57/77/32/568577732.db2.gz IJOYHASNNOIVMD-UHFFFAOYSA-N 0 0 423.512 5.626 40 0 HKABRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)c1 ZINC000224319568 568577738 /nfs/dbraw/zinc/57/77/38/568577738.db2.gz OUUVJSOWAWRIIM-ZEQRLZLVSA-N 0 0 416.594 5.792 40 0 HKABRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)c1 ZINC000224319618 568577874 /nfs/dbraw/zinc/57/78/74/568577874.db2.gz OUUVJSOWAWRIIM-RPWUZVMVSA-N 0 0 416.594 5.792 40 0 HKABRN COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccc2ccccc2c1 ZINC000224319635 568577843 /nfs/dbraw/zinc/57/78/43/568577843.db2.gz DYFQTKUPVGRWIY-UHFFFAOYSA-N 0 0 417.549 6.270 40 0 HKABRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)c1 ZINC000224319654 568577882 /nfs/dbraw/zinc/57/78/82/568577882.db2.gz OUUVJSOWAWRIIM-BJKOFHAPSA-N 0 0 416.594 5.792 40 0 HKABRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)c1 ZINC000224319703 568577841 /nfs/dbraw/zinc/57/78/41/568577841.db2.gz OUUVJSOWAWRIIM-DNQXCXABSA-N 0 0 416.594 5.792 40 0 HKABRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)c1 ZINC000224319954 568577804 /nfs/dbraw/zinc/57/78/04/568577804.db2.gz RFBTYOSORSHQST-DQEYMECFSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)c1 ZINC000224320001 568577887 /nfs/dbraw/zinc/57/78/87/568577887.db2.gz RFBTYOSORSHQST-RPBOFIJWSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)c1 ZINC000224320033 568577870 /nfs/dbraw/zinc/57/78/70/568577870.db2.gz RFBTYOSORSHQST-LOSJGSFVSA-N 0 0 424.573 5.666 40 0 HKABRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)c1 ZINC000224320081 568577832 /nfs/dbraw/zinc/57/78/32/568577832.db2.gz RFBTYOSORSHQST-JWQCQUIFSA-N 0 0 424.573 5.666 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccc2ccccc2c1 ZINC000224320339 568577883 /nfs/dbraw/zinc/57/78/83/568577883.db2.gz WKWTUCGVGYPXIH-UHFFFAOYSA-N 0 0 415.464 5.497 40 0 HKABRN O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(N2CCCCC2)cc1 ZINC000224321996 568577872 /nfs/dbraw/zinc/57/78/72/568577872.db2.gz YGENBPUURXVGKB-UHFFFAOYSA-N 0 0 410.568 5.073 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1CSc1ccccc1 ZINC000224325075 568577990 /nfs/dbraw/zinc/57/79/90/568577990.db2.gz IKIWFSGEIOJLSE-UHFFFAOYSA-N 0 0 418.345 6.547 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1CSc1ccccc1 ZINC000224325151 568577948 /nfs/dbraw/zinc/57/79/48/568577948.db2.gz XGLKTJMNHVBRIE-UHFFFAOYSA-N 0 0 418.345 6.547 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1CSc1ccccc1 ZINC000224325228 568577968 /nfs/dbraw/zinc/57/79/68/568577968.db2.gz FIBUDGXMMFSCRF-UHFFFAOYSA-N 0 0 418.345 6.547 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1CSc1ccccc1 ZINC000224325306 568577981 /nfs/dbraw/zinc/57/79/81/568577981.db2.gz PZBQBVLYPWTWRB-UHFFFAOYSA-N 0 0 418.345 6.547 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1CSc1ccccc1 ZINC000224325386 568577975 /nfs/dbraw/zinc/57/79/75/568577975.db2.gz VSISAJNLWILZJG-UHFFFAOYSA-N 0 0 418.345 6.547 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1CSc1ccccc1 ZINC000224325793 568577935 /nfs/dbraw/zinc/57/79/35/568577935.db2.gz BSCZYDPEKJMYKV-UHFFFAOYSA-N 0 0 401.890 6.032 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1CSc1ccccc1 ZINC000224325873 568577995 /nfs/dbraw/zinc/57/79/95/568577995.db2.gz KDFSMDQVDWRCJM-UHFFFAOYSA-N 0 0 417.452 6.259 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1CSc1ccccc1 ZINC000224325952 568577933 /nfs/dbraw/zinc/57/79/33/568577933.db2.gz XVIAFODIVVKROG-UHFFFAOYSA-N 0 0 417.452 6.259 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1CSc1ccccc1 ZINC000224326036 568577899 /nfs/dbraw/zinc/57/78/99/568577899.db2.gz BAKBYRWKUTYMCD-UHFFFAOYSA-N 0 0 417.452 6.259 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OC)c(CSc3ccccc3)c2)c(OC)c1 ZINC000224326805 568577973 /nfs/dbraw/zinc/57/79/73/568577973.db2.gz JQDLFEDMJAJUGQ-UHFFFAOYSA-N 0 0 409.507 5.257 40 0 HKABRN COc1ccc(OC)c(NC(=O)c2ccc(OC)c(CSc3ccccc3)c2)c1 ZINC000224326888 568578000 /nfs/dbraw/zinc/57/80/00/568578000.db2.gz UAYUIWDVXGVUSM-UHFFFAOYSA-N 0 0 409.507 5.257 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1CSc1ccccc1 ZINC000224326970 568577901 /nfs/dbraw/zinc/57/79/01/568577901.db2.gz BUNBPOXNMXOJGL-UHFFFAOYSA-N 0 0 409.507 5.257 40 0 HKABRN COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1CSc1ccccc1 ZINC000224327118 568577961 /nfs/dbraw/zinc/57/79/61/568577961.db2.gz YBXCWHOMNRNYLQ-UHFFFAOYSA-N 0 0 407.491 5.011 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1CSc1ccccc1 ZINC000224327276 568577994 /nfs/dbraw/zinc/57/79/94/568577994.db2.gz QVGNPPLBEBYGJE-UHFFFAOYSA-N 0 0 413.926 5.902 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OC)c(CSc3ccccc3)c2)cc1Cl ZINC000224327353 568577923 /nfs/dbraw/zinc/57/79/23/568577923.db2.gz IBMZOXLOFGQNID-UHFFFAOYSA-N 0 0 413.926 5.902 40 0 HKABRN COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(CSc2ccccc2)c1 ZINC000224327523 568577932 /nfs/dbraw/zinc/57/79/32/568577932.db2.gz YPCTUJVUZAUMBT-UHFFFAOYSA-N 0 0 407.491 5.026 40 0 HKABRN COC(=O)c1ccc(NC(=O)c2ccc(OC)c(CSc3ccccc3)c2)cc1 ZINC000224327609 568577999 /nfs/dbraw/zinc/57/79/99/568577999.db2.gz DAOWHACAHSTKLZ-UHFFFAOYSA-N 0 0 407.491 5.026 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(CSc3ccccc3)c2)cc1 ZINC000224327680 568577903 /nfs/dbraw/zinc/57/79/03/568577903.db2.gz DBQRFOQRKFGGET-UHFFFAOYSA-N 0 0 421.518 5.417 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1CSc1ccccc1 ZINC000224328078 568578027 /nfs/dbraw/zinc/57/80/27/568578027.db2.gz HJEZKMYAKTWODL-UHFFFAOYSA-N 0 0 406.507 5.198 40 0 HKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1 ZINC000224328361 568578023 /nfs/dbraw/zinc/57/80/23/568578023.db2.gz BXFDONQDSCLSBS-ZEQRLZLVSA-N 0 0 416.594 5.574 40 0 HKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1 ZINC000224328404 568578062 /nfs/dbraw/zinc/57/80/62/568578062.db2.gz BXFDONQDSCLSBS-RPWUZVMVSA-N 0 0 416.594 5.574 40 0 HKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)cc1 ZINC000224328433 568578061 /nfs/dbraw/zinc/57/80/61/568578061.db2.gz BXFDONQDSCLSBS-BJKOFHAPSA-N 0 0 416.594 5.574 40 0 HKABRN O=C(NCCc1ccc(Cl)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000224328466 568578099 /nfs/dbraw/zinc/57/80/99/568578099.db2.gz VIKXLCSOTQLUTP-UHFFFAOYSA-N 0 0 404.941 5.265 40 0 HKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)cc1 ZINC000224328480 568578070 /nfs/dbraw/zinc/57/80/70/568578070.db2.gz BXFDONQDSCLSBS-DNQXCXABSA-N 0 0 416.594 5.574 40 0 HKABRN O=C(NCCOc1ccc(Cl)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000224328791 568578039 /nfs/dbraw/zinc/57/80/39/568578039.db2.gz AXCUJUSTRKPHRT-UHFFFAOYSA-N 0 0 420.940 5.102 40 0 HKABRN O=C(NCCOc1ccccc1Cl)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000224328884 568578088 /nfs/dbraw/zinc/57/80/88/568578088.db2.gz QKLAKPNWKBYSQR-UHFFFAOYSA-N 0 0 420.940 5.102 40 0 HKABRN CCc1ccc(OCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000224329827 568578057 /nfs/dbraw/zinc/57/80/57/568578057.db2.gz YLCLYQPKSRYZPL-UHFFFAOYSA-N 0 0 414.549 5.011 40 0 HKABRN Cc1ccc(OCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c(C)c1 ZINC000224329907 568578072 /nfs/dbraw/zinc/57/80/72/568578072.db2.gz OXRYFPSVVUPDOD-UHFFFAOYSA-N 0 0 414.549 5.065 40 0 HKABRN Cc1ccc(OCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1C ZINC000224330058 568578067 /nfs/dbraw/zinc/57/80/67/568578067.db2.gz QVHYNRJLWMUQFK-UHFFFAOYSA-N 0 0 414.549 5.065 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(OC)c(CSc3ccccc3)c2)cc1 ZINC000224330386 568578086 /nfs/dbraw/zinc/57/80/86/568578086.db2.gz ATEWNLLWUFWAFF-UHFFFAOYSA-N 0 0 405.563 6.582 40 0 HKABRN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000224330426 568578033 /nfs/dbraw/zinc/57/80/33/568578033.db2.gz RDCHBTHMDYTJCX-UHFFFAOYSA-N 0 0 418.540 6.144 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(CSc2ccccc2)c1 ZINC000224330744 568578055 /nfs/dbraw/zinc/57/80/55/568578055.db2.gz GZKPLNQXBZMRQR-UHFFFAOYSA-N 0 0 405.563 6.365 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1CSc1ccccc1 ZINC000224331116 568578035 /nfs/dbraw/zinc/57/80/35/568578035.db2.gz FESZBQQBFULAJW-UHFFFAOYSA-N 0 0 406.507 5.198 40 0 HKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 ZINC000224331485 568578210 /nfs/dbraw/zinc/57/82/10/568578210.db2.gz NFMSGLKQSBLFCO-ZEQRLZLVSA-N 0 0 416.594 5.738 40 0 HKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 ZINC000224331534 568578138 /nfs/dbraw/zinc/57/81/38/568578138.db2.gz NFMSGLKQSBLFCO-RPWUZVMVSA-N 0 0 416.594 5.738 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1CSc1ccccc1 ZINC000224331565 568578221 /nfs/dbraw/zinc/57/82/21/568578221.db2.gz RWUNQVKKBHRQKY-IBGZPJMESA-N 0 0 405.563 5.739 40 0 HKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 ZINC000224331571 568578135 /nfs/dbraw/zinc/57/81/35/568578135.db2.gz NFMSGLKQSBLFCO-BJKOFHAPSA-N 0 0 416.594 5.738 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1CSc1ccccc1 ZINC000224331615 568578164 /nfs/dbraw/zinc/57/81/64/568578164.db2.gz RWUNQVKKBHRQKY-LJQANCHMSA-N 0 0 405.563 5.739 40 0 HKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 ZINC000224331620 568578216 /nfs/dbraw/zinc/57/82/16/568578216.db2.gz NFMSGLKQSBLFCO-DNQXCXABSA-N 0 0 416.594 5.738 40 0 HKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1 ZINC000224331680 568578128 /nfs/dbraw/zinc/57/81/28/568578128.db2.gz KFUMNLZHOPDJFZ-VXKWHMMOSA-N 0 0 404.583 5.378 40 0 HKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1 ZINC000224331722 568578129 /nfs/dbraw/zinc/57/81/29/568578129.db2.gz KFUMNLZHOPDJFZ-YADHBBJMSA-N 0 0 404.583 5.378 40 0 HKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 ZINC000224331753 568578126 /nfs/dbraw/zinc/57/81/26/568578126.db2.gz KFUMNLZHOPDJFZ-FCHUYYIVSA-N 0 0 404.583 5.378 40 0 HKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 ZINC000224331793 568578124 /nfs/dbraw/zinc/57/81/24/568578124.db2.gz KFUMNLZHOPDJFZ-FGZHOGPDSA-N 0 0 404.583 5.378 40 0 HKABRN CC1CC[NH+](Cc2ccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000224332131 568578160 /nfs/dbraw/zinc/57/81/60/568578160.db2.gz UWSNXWVTBVMONH-UHFFFAOYSA-N 0 0 408.586 5.025 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1CSc1ccccc1 ZINC000224332152 568578127 /nfs/dbraw/zinc/57/81/27/568578127.db2.gz GQNBQALASSKGBC-INIZCTEOSA-N 0 0 411.954 6.132 40 0 HKABRN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000224332162 568578133 /nfs/dbraw/zinc/57/81/33/568578133.db2.gz ORKUNOXVMKBMDE-UHFFFAOYSA-N 0 0 419.830 5.868 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1CSc1ccccc1 ZINC000224332214 568578142 /nfs/dbraw/zinc/57/81/42/568578142.db2.gz GQNBQALASSKGBC-MRXNPFEDSA-N 0 0 411.954 6.132 40 0 HKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CC)c2C)cc1 ZINC000224332437 568578173 /nfs/dbraw/zinc/57/81/73/568578173.db2.gz GLJWLRYFFYSHIB-GOTSBHOMSA-N 0 0 404.583 5.259 40 0 HKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CC)c2C)cc1 ZINC000224332487 568578199 /nfs/dbraw/zinc/57/81/99/568578199.db2.gz GLJWLRYFFYSHIB-PKTZIBPZSA-N 0 0 404.583 5.259 40 0 HKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CC)c2C)cc1 ZINC000224332527 568578183 /nfs/dbraw/zinc/57/81/83/568578183.db2.gz GLJWLRYFFYSHIB-XZOQPEGZSA-N 0 0 404.583 5.259 40 0 HKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CC)c2C)cc1 ZINC000224332570 568578131 /nfs/dbraw/zinc/57/81/31/568578131.db2.gz GLJWLRYFFYSHIB-DHIUTWEWSA-N 0 0 404.583 5.259 40 0 HKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 ZINC000224332630 568578206 /nfs/dbraw/zinc/57/82/06/568578206.db2.gz CLDNSVLHYGDIRK-ZEQRLZLVSA-N 0 0 418.610 5.820 40 0 HKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 ZINC000224332685 568578214 /nfs/dbraw/zinc/57/82/14/568578214.db2.gz CLDNSVLHYGDIRK-RPWUZVMVSA-N 0 0 418.610 5.820 40 0 HKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 ZINC000224332719 568578171 /nfs/dbraw/zinc/57/81/71/568578171.db2.gz CLDNSVLHYGDIRK-BJKOFHAPSA-N 0 0 418.610 5.820 40 0 HKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 ZINC000224332766 568578175 /nfs/dbraw/zinc/57/81/75/568578175.db2.gz CLDNSVLHYGDIRK-DNQXCXABSA-N 0 0 418.610 5.820 40 0 HKABRN COc1cc(C)c(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1C(C)C ZINC000224332902 568578132 /nfs/dbraw/zinc/57/81/32/568578132.db2.gz BNPSHZIREAHCMT-UHFFFAOYSA-N 0 0 409.551 5.195 40 0 HKABRN COc1ccc(C(=O)NCc2ccccc2Cl)cc1CSc1ccc(C)cc1 ZINC000224333957 568578125 /nfs/dbraw/zinc/57/81/25/568578125.db2.gz MXHBPCWWJZRNMN-UHFFFAOYSA-N 0 0 411.954 5.879 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1CSc1ccc(C)cc1 ZINC000224334030 568578201 /nfs/dbraw/zinc/57/82/01/568578201.db2.gz BROKRDWVQUHYRE-UHFFFAOYSA-N 0 0 411.954 5.879 40 0 HKABRN Cc1ccccc1CSCC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000224334080 568578168 /nfs/dbraw/zinc/57/81/68/568578168.db2.gz HCVGMRUPGYBYJE-UHFFFAOYSA-N 0 0 401.582 5.011 40 0 HKABRN COc1ccc(CNC(=O)c2ccc(OC)c(CSc3ccc(C)cc3)c2)cc1 ZINC000224334191 568578140 /nfs/dbraw/zinc/57/81/40/568578140.db2.gz SBTHNFBDEBVEQR-UHFFFAOYSA-N 0 0 407.535 5.235 40 0 HKABRN COc1ccc(CCNC(=O)c2ccc(OC)c(CSc3ccc(C)cc3)c2)cc1 ZINC000224334460 568578136 /nfs/dbraw/zinc/57/81/36/568578136.db2.gz GAJLPABKSXTBPN-UHFFFAOYSA-N 0 0 421.562 5.277 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 ZINC000224335420 568578325 /nfs/dbraw/zinc/57/83/25/568578325.db2.gz QZNYDPIOAVQGIV-UHFFFAOYSA-N 0 0 405.563 6.419 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000224335454 568578304 /nfs/dbraw/zinc/57/83/04/568578304.db2.gz CEIMPJQSGBCZRR-SFHVURJKSA-N 0 0 423.940 6.970 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000224335501 568578251 /nfs/dbraw/zinc/57/82/51/568578251.db2.gz CEIMPJQSGBCZRR-GOSISDBHSA-N 0 0 423.940 6.970 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1CSc1ccc(C)cc1 ZINC000224335820 568578272 /nfs/dbraw/zinc/57/82/72/568578272.db2.gz AHYZEBYKYCTOLW-UHFFFAOYSA-N 0 0 405.563 6.672 40 0 HKABRN COc1ccc(C(=O)Nc2cccc3ccccc32)cc1CSc1ccc(C)cc1 ZINC000224335897 568578307 /nfs/dbraw/zinc/57/83/07/568578307.db2.gz FLICZTNCWBTESP-UHFFFAOYSA-N 0 0 413.542 6.701 40 0 HKABRN Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000224336362 569058533 /nfs/dbraw/zinc/05/85/33/569058533.db2.gz PHYABJBZPXSVDS-UHFFFAOYSA-N 0 0 405.351 5.296 40 0 HKABRN Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000224336435 569058592 /nfs/dbraw/zinc/05/85/92/569058592.db2.gz HNFIYHUZPXOYGM-UHFFFAOYSA-N 0 0 405.351 5.296 40 0 HKABRN Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000224336515 569058549 /nfs/dbraw/zinc/05/85/49/569058549.db2.gz SCVCOYPCXXTDQK-UHFFFAOYSA-N 0 0 413.452 5.944 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1CSc1ccc(C)cc1 ZINC000224336727 568578329 /nfs/dbraw/zinc/57/83/29/568578329.db2.gz ZRUPJPKRRHNHPZ-UHFFFAOYSA-N 0 0 411.954 6.510 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1CSc1ccc(C)cc1 ZINC000224336808 568578247 /nfs/dbraw/zinc/57/82/47/568578247.db2.gz PMYAZNQSVLLUNF-UHFFFAOYSA-N 0 0 411.954 6.510 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1CSc1ccc(C)cc1 ZINC000224336887 568578351 /nfs/dbraw/zinc/57/83/51/568578351.db2.gz QLXSHNTXSNGABG-UHFFFAOYSA-N 0 0 411.954 6.510 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1CSc1ccc(C)cc1 ZINC000224336963 568578266 /nfs/dbraw/zinc/57/82/66/568578266.db2.gz KCZIVZBROWPANQ-UHFFFAOYSA-N 0 0 411.954 6.510 40 0 HKABRN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(CN2CCc3ccccc32)cc1 ZINC000224337152 568578245 /nfs/dbraw/zinc/57/82/45/568578245.db2.gz DLFSUWZIZJCKKW-UHFFFAOYSA-N 0 0 418.496 6.401 40 0 HKABRN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000224337546 568578255 /nfs/dbraw/zinc/57/82/55/568578255.db2.gz IFFCLSWBHWNGMR-UHFFFAOYSA-N 0 0 419.528 5.487 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1CSc1ccc(C)cc1 ZINC000224337718 568578300 /nfs/dbraw/zinc/57/83/00/568578300.db2.gz BBZVUMJITSXFET-UHFFFAOYSA-N 0 0 415.917 6.341 40 0 HKABRN CCCc1ccc(OCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000224337963 568578323 /nfs/dbraw/zinc/57/83/23/568578323.db2.gz VSKUAPWZYZXTIP-UHFFFAOYSA-N 0 0 414.549 5.011 40 0 HKABRN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(CN2CCc3ccccc32)cc1 ZINC000224338041 568578257 /nfs/dbraw/zinc/57/82/57/568578257.db2.gz XFEXORMMVMYKNV-UHFFFAOYSA-N 0 0 404.513 5.753 40 0 HKABRN CCOc1ccccc1NC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 ZINC000224338368 568578298 /nfs/dbraw/zinc/57/82/98/568578298.db2.gz ZGJHVWORKCVYBA-UHFFFAOYSA-N 0 0 407.535 5.947 40 0 HKABRN CCOc1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(C)cc3)c2)cc1 ZINC000224338440 568578353 /nfs/dbraw/zinc/57/83/53/568578353.db2.gz NMQCVVNTXQVMEC-UHFFFAOYSA-N 0 0 407.535 5.947 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(C)cc3)c2)c(OC)c1 ZINC000224338653 568578321 /nfs/dbraw/zinc/57/83/21/568578321.db2.gz URXLGQJIAWSWFJ-UHFFFAOYSA-N 0 0 423.534 5.565 40 0 HKABRN COc1ccc(OC)c(NC(=O)c2ccc(OC)c(CSc3ccc(C)cc3)c2)c1 ZINC000224338727 568578327 /nfs/dbraw/zinc/57/83/27/568578327.db2.gz CRAJSJLHPJIXOI-UHFFFAOYSA-N 0 0 423.534 5.565 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1CSc1ccc(C)cc1 ZINC000224338802 568578359 /nfs/dbraw/zinc/57/83/59/568578359.db2.gz WCTAXPGLKYVBRU-UHFFFAOYSA-N 0 0 423.534 5.565 40 0 HKABRN COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1CSc1ccc(C)cc1 ZINC000224338879 568578413 /nfs/dbraw/zinc/57/84/13/568578413.db2.gz QVYGWAQZBIXFHP-UHFFFAOYSA-N 0 0 407.491 5.277 40 0 HKABRN COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1CSc1ccc(C)cc1 ZINC000224338963 568578363 /nfs/dbraw/zinc/57/83/63/568578363.db2.gz DORQNYVLTAVCCH-UHFFFAOYSA-N 0 0 421.518 5.319 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1CSc1ccc(C)cc1 ZINC000224339040 568578417 /nfs/dbraw/zinc/57/84/17/568578417.db2.gz IBZOJHIYEDTFDC-UHFFFAOYSA-N 0 0 407.535 5.865 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(SC)c2)cc1CSc1ccc(C)cc1 ZINC000224339268 568578445 /nfs/dbraw/zinc/57/84/45/568578445.db2.gz CESZFTZVYSYEHS-UHFFFAOYSA-N 0 0 409.576 6.270 40 0 HKABRN COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 ZINC000224339342 568578376 /nfs/dbraw/zinc/57/83/76/568578376.db2.gz INNCBFUYEANIFO-UHFFFAOYSA-N 0 0 421.518 5.335 40 0 HKABRN COC(=O)c1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(C)cc3)c2)cc1 ZINC000224339423 568578402 /nfs/dbraw/zinc/57/84/02/568578402.db2.gz LAGLXFHDYBENIG-UHFFFAOYSA-N 0 0 421.518 5.335 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1CSc1ccc(C)cc1 ZINC000224339712 568578379 /nfs/dbraw/zinc/57/83/79/568578379.db2.gz WZEWXRMJOSLMIG-UHFFFAOYSA-N 0 0 405.519 5.751 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1CSc1ccc(C)cc1 ZINC000224339864 568578425 /nfs/dbraw/zinc/57/84/25/568578425.db2.gz JZJQRPNUQXLDTP-UHFFFAOYSA-N 0 0 420.534 5.507 40 0 HKABRN Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)COc1ccc(Cl)cc1Cl ZINC000224340580 569059459 /nfs/dbraw/zinc/05/94/59/569059459.db2.gz QRYBBWALNFSFMD-UHFFFAOYSA-N 0 0 418.280 5.210 40 0 HKABRN COc1ccc(C(=O)N2CCc3ccccc3C2)cc1CSc1ccc(C)cc1 ZINC000224341411 568578364 /nfs/dbraw/zinc/57/83/64/568578364.db2.gz BJLHPLFEHSQKCC-UHFFFAOYSA-N 0 0 403.547 5.494 40 0 HKABRN COc1ccccc1CNC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 ZINC000224341544 568578360 /nfs/dbraw/zinc/57/83/60/568578360.db2.gz DLYLYKDCCCJFOY-UHFFFAOYSA-N 0 0 407.535 5.235 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(C)cc3)c2)cc1 ZINC000224341892 568578365 /nfs/dbraw/zinc/57/83/65/568578365.db2.gz WPQBFQQFXPUDKV-UHFFFAOYSA-N 0 0 419.590 6.891 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2SC)cc1CSc1ccc(C)cc1 ZINC000224341972 568578373 /nfs/dbraw/zinc/57/83/73/568578373.db2.gz CFMDICKZLWQMHA-UHFFFAOYSA-N 0 0 409.576 6.270 40 0 HKABRN COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1CSc1ccc(C)cc1 ZINC000224342178 568578394 /nfs/dbraw/zinc/57/83/94/568578394.db2.gz HKLLOLIQXDRYPM-UHFFFAOYSA-N 0 0 405.563 6.473 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 ZINC000224342261 568578482 /nfs/dbraw/zinc/57/84/82/568578482.db2.gz PMTNZYJREUSDQE-UHFFFAOYSA-N 0 0 419.590 6.673 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1CSc1ccc(C)cc1 ZINC000224342644 568578488 /nfs/dbraw/zinc/57/84/88/568578488.db2.gz UETLCIJKRSORLZ-UHFFFAOYSA-N 0 0 420.534 5.507 40 0 HKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 ZINC000224342650 568578532 /nfs/dbraw/zinc/57/85/32/568578532.db2.gz XJXFCOGCCFHIKO-DQEYMECFSA-N 0 0 424.573 5.612 40 0 HKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 ZINC000224342707 568578508 /nfs/dbraw/zinc/57/85/08/568578508.db2.gz XJXFCOGCCFHIKO-RPBOFIJWSA-N 0 0 424.573 5.612 40 0 HKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 ZINC000224342742 568578486 /nfs/dbraw/zinc/57/84/86/568578486.db2.gz XJXFCOGCCFHIKO-LOSJGSFVSA-N 0 0 424.573 5.612 40 0 HKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 ZINC000224342790 568578497 /nfs/dbraw/zinc/57/84/97/568578497.db2.gz XJXFCOGCCFHIKO-JWQCQUIFSA-N 0 0 424.573 5.612 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1CSc1ccc(C)cc1 ZINC000224343100 568578480 /nfs/dbraw/zinc/57/84/80/568578480.db2.gz CVGLOYBDRMFQPM-FQEVSTJZSA-N 0 0 419.590 6.047 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1CSc1ccc(C)cc1 ZINC000224343149 568578522 /nfs/dbraw/zinc/57/85/22/568578522.db2.gz CVGLOYBDRMFQPM-HXUWFJFHSA-N 0 0 419.590 6.047 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1CSc1ccc(C)cc1 ZINC000224343960 568578493 /nfs/dbraw/zinc/57/84/93/568578493.db2.gz VEXIHAHLCUNVDK-KRWDZBQOSA-N 0 0 409.526 5.926 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1CSc1ccc(C)cc1 ZINC000224344009 568578481 /nfs/dbraw/zinc/57/84/81/568578481.db2.gz VEXIHAHLCUNVDK-QGZVFWFLSA-N 0 0 409.526 5.926 40 0 HKABRN COc1ccccc1Oc1ccc(Cl)cc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000224344250 568578546 /nfs/dbraw/zinc/57/85/46/568578546.db2.gz OGRABZJRNDXMQV-UHFFFAOYSA-N 0 0 421.924 6.591 40 0 HKABRN O=C(COc1ccc2c(c1)CCCC2)NCCSCc1ccc(Cl)cc1Cl ZINC000224344317 568578519 /nfs/dbraw/zinc/57/85/19/568578519.db2.gz VKTUHOKMXYULAS-UHFFFAOYSA-N 0 0 424.393 5.301 40 0 HKABRN COc1ccc(C(=O)NC2CCCCCC2)cc1CSc1ccc(Cl)cc1 ZINC000224345221 568578670 /nfs/dbraw/zinc/57/86/70/568578670.db2.gz JKPMBLQTGKFFHU-UHFFFAOYSA-N 0 0 403.975 6.094 40 0 HKABRN COc1ccc(C(=O)NCCC2=CCCCC2)cc1CSc1ccc(Cl)cc1 ZINC000224345284 568578668 /nfs/dbraw/zinc/57/86/68/568578668.db2.gz PSPGRKIVIPYBJN-UHFFFAOYSA-N 0 0 415.986 6.261 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(C)cc2)cc1CSc1ccc(Cl)cc1 ZINC000224345404 568578664 /nfs/dbraw/zinc/57/86/64/568578664.db2.gz GBCRGAHWTMSXQB-UHFFFAOYSA-N 0 0 411.954 5.879 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1CSc1ccc(Cl)cc1 ZINC000224345774 568578600 /nfs/dbraw/zinc/57/86/00/568578600.db2.gz DJBGYSXYRQFQMH-INIZCTEOSA-N 0 0 411.954 6.132 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1CSc1ccc(Cl)cc1 ZINC000224345824 568578582 /nfs/dbraw/zinc/57/85/82/568578582.db2.gz DJBGYSXYRQFQMH-MRXNPFEDSA-N 0 0 411.954 6.132 40 0 HKABRN COc1ccc(C(=O)NCCc2ccccc2)cc1CSc1ccc(Cl)cc1 ZINC000224345903 568578589 /nfs/dbraw/zinc/57/85/89/568578589.db2.gz OZLKVBXGJXUNBC-UHFFFAOYSA-N 0 0 411.954 5.613 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C)c2C)cc1CSc1ccc(Cl)cc1 ZINC000224346571 568578593 /nfs/dbraw/zinc/57/85/93/568578593.db2.gz NRYAXUMGLBODED-UHFFFAOYSA-N 0 0 411.954 6.510 40 0 HKABRN O=C(CSCc1c(Cl)cccc1Cl)NCc1cccc(C(F)(F)F)c1 ZINC000224346608 527022202 /nfs/dbraw/zinc/02/22/02/527022202.db2.gz MZRXQHYIPYNRAP-UHFFFAOYSA-N 0 0 408.272 5.562 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1CSc1ccc(Cl)cc1 ZINC000224346651 568578652 /nfs/dbraw/zinc/57/86/52/568578652.db2.gz QSFYULZCSDIXPO-UHFFFAOYSA-N 0 0 411.954 6.510 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1CSc1ccc(Cl)cc1 ZINC000224346730 568578650 /nfs/dbraw/zinc/57/86/50/568578650.db2.gz YIUJYAFDHKTYGE-UHFFFAOYSA-N 0 0 411.954 6.510 40 0 HKABRN COc1ccc(C(=O)Nc2c(C)cccc2C)cc1CSc1ccc(Cl)cc1 ZINC000224346807 568578612 /nfs/dbraw/zinc/57/86/12/568578612.db2.gz DVAQAOVHAXINRI-UHFFFAOYSA-N 0 0 411.954 6.510 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1CSc1ccc(Cl)cc1 ZINC000224346954 568578585 /nfs/dbraw/zinc/57/85/85/568578585.db2.gz SQMCNYWYQPEPOH-UHFFFAOYSA-N 0 0 411.954 6.510 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1CSc1ccc(Cl)cc1 ZINC000224347034 568578637 /nfs/dbraw/zinc/57/86/37/568578637.db2.gz ZADLOCJUKDEPKM-UHFFFAOYSA-N 0 0 411.954 6.510 40 0 HKABRN CCc1ccccc1NC(=O)c1ccc(OC)c(CSc2ccc(Cl)cc2)c1 ZINC000224347108 568578598 /nfs/dbraw/zinc/57/85/98/568578598.db2.gz PWIRCWJVWCULJL-UHFFFAOYSA-N 0 0 411.954 6.456 40 0 HKABRN CCc1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)cc1 ZINC000224347184 568578604 /nfs/dbraw/zinc/57/86/04/568578604.db2.gz KZMZBCCFFDVQTB-UHFFFAOYSA-N 0 0 411.954 6.456 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2F)cc1CSc1ccc(Cl)cc1 ZINC000224347427 568578597 /nfs/dbraw/zinc/57/85/97/568578597.db2.gz PEIBOPPYJRPHPV-UHFFFAOYSA-N 0 0 401.890 6.032 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(F)c2)cc1CSc1ccc(Cl)cc1 ZINC000224347502 568578648 /nfs/dbraw/zinc/57/86/48/568578648.db2.gz GXSODDYWOPMLRW-UHFFFAOYSA-N 0 0 401.890 6.032 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)cc2)cc1CSc1ccc(Cl)cc1 ZINC000224347569 568578657 /nfs/dbraw/zinc/57/86/57/568578657.db2.gz GRDYXVLSMXKZCC-UHFFFAOYSA-N 0 0 401.890 6.032 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2Cl)cc1CSc1ccc(Cl)cc1 ZINC000224347644 568578640 /nfs/dbraw/zinc/57/86/40/568578640.db2.gz MFDDVAVJQJHHAM-UHFFFAOYSA-N 0 0 418.345 6.547 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1CSc1ccc(Cl)cc1 ZINC000224347729 568578602 /nfs/dbraw/zinc/57/86/02/568578602.db2.gz JSRWYQFULLBFTG-UHFFFAOYSA-N 0 0 418.345 6.547 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1CSc1ccc(Cl)cc1 ZINC000224347800 568578583 /nfs/dbraw/zinc/57/85/83/568578583.db2.gz AVVBRVPKQGURJF-UHFFFAOYSA-N 0 0 418.345 6.547 40 0 HKABRN CCCCc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1 ZINC000224347815 568578642 /nfs/dbraw/zinc/57/86/42/568578642.db2.gz ZKDVCVIFMMQICN-QJOMJCCJSA-N 0 0 402.494 5.340 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1CSc1ccc(Cl)cc1 ZINC000224348924 568578771 /nfs/dbraw/zinc/57/87/71/568578771.db2.gz ZWGUAANTANKTBE-UHFFFAOYSA-N 0 0 419.880 6.171 40 0 HKABRN COc1ccc(C(=O)Nc2c(F)cccc2F)cc1CSc1ccc(Cl)cc1 ZINC000224348999 568578749 /nfs/dbraw/zinc/57/87/49/568578749.db2.gz IXMFDOUGCKCUNV-UHFFFAOYSA-N 0 0 419.880 6.171 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2OC)cc1CSc1ccc(Cl)cc1 ZINC000224349626 568578686 /nfs/dbraw/zinc/57/86/86/568578686.db2.gz DSLCJXDRALTUOZ-UHFFFAOYSA-N 0 0 413.926 5.902 40 0 HKABRN COc1cccc(NC(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)c1 ZINC000224349697 568578714 /nfs/dbraw/zinc/57/87/14/568578714.db2.gz PGXGBHGBHZXMTG-UHFFFAOYSA-N 0 0 413.926 5.902 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)cc1 ZINC000224349771 568578740 /nfs/dbraw/zinc/57/87/40/568578740.db2.gz FQCBADCTICFFRJ-UHFFFAOYSA-N 0 0 413.926 5.902 40 0 HKABRN COc1ccc(C(=O)N(C)Cc2ccccc2)cc1CSc1ccc(Cl)cc1 ZINC000224351604 568578847 /nfs/dbraw/zinc/57/88/47/568578847.db2.gz VIIXHHPYNGRWPK-UHFFFAOYSA-N 0 0 411.954 5.913 40 0 HKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000224352004 568578849 /nfs/dbraw/zinc/57/88/49/568578849.db2.gz HANUMCYXKMUKDB-ZEQRLZLVSA-N 0 0 416.594 5.738 40 0 HKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000224352056 568578826 /nfs/dbraw/zinc/57/88/26/568578826.db2.gz HANUMCYXKMUKDB-RPWUZVMVSA-N 0 0 416.594 5.738 40 0 HKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000224352093 568578843 /nfs/dbraw/zinc/57/88/43/568578843.db2.gz HANUMCYXKMUKDB-BJKOFHAPSA-N 0 0 416.594 5.738 40 0 HKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000224352147 568578813 /nfs/dbraw/zinc/57/88/13/568578813.db2.gz HANUMCYXKMUKDB-DNQXCXABSA-N 0 0 416.594 5.738 40 0 HKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000224352410 568578836 /nfs/dbraw/zinc/57/88/36/568578836.db2.gz OSUZWXGZWWCQNF-DQEYMECFSA-N 0 0 424.573 5.612 40 0 HKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000224352462 568578863 /nfs/dbraw/zinc/57/88/63/568578863.db2.gz OSUZWXGZWWCQNF-RPBOFIJWSA-N 0 0 424.573 5.612 40 0 HKABRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000224352496 568578855 /nfs/dbraw/zinc/57/88/55/568578855.db2.gz OSUZWXGZWWCQNF-LOSJGSFVSA-N 0 0 424.573 5.612 40 0 HKABRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000224352541 568578879 /nfs/dbraw/zinc/57/88/79/568578879.db2.gz OSUZWXGZWWCQNF-JWQCQUIFSA-N 0 0 424.573 5.612 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COCc1ccccc1 ZINC000224353019 568578808 /nfs/dbraw/zinc/57/88/08/568578808.db2.gz UZEUWLJJQRZEKM-UHFFFAOYSA-N 0 0 411.885 5.326 40 0 HKABRN COc1ccc(NC(=O)c2ccc(OC)c(COCc3ccccc3)c2)cc1Cl ZINC000224353093 568578875 /nfs/dbraw/zinc/57/88/75/568578875.db2.gz WJTZGRIADCMGHY-UHFFFAOYSA-N 0 0 411.885 5.326 40 0 HKABRN CCN(c1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000224354347 568578990 /nfs/dbraw/zinc/57/89/90/568578990.db2.gz QKXJEDRXEXGOOY-UHFFFAOYSA-N 0 0 422.550 5.278 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(OC)c(COCc3ccccc3)c2)cc1 ZINC000224356124 568579015 /nfs/dbraw/zinc/57/90/15/568579015.db2.gz OJGIBAVYWFYLOE-UHFFFAOYSA-N 0 0 403.522 6.007 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COCc2ccccc2)c1 ZINC000224356509 568579034 /nfs/dbraw/zinc/57/90/34/568579034.db2.gz LLRXVCIUPZFWSN-UHFFFAOYSA-N 0 0 403.522 5.789 40 0 HKABRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 ZINC000224356542 568579056 /nfs/dbraw/zinc/57/90/56/568579056.db2.gz RASJOMUPTFPQGN-PMACEKPBSA-N 0 0 413.999 6.097 40 0 HKABRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 ZINC000224356591 568579020 /nfs/dbraw/zinc/57/90/20/568579020.db2.gz RASJOMUPTFPQGN-UXHICEINSA-N 0 0 413.999 6.097 40 0 HKABRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 ZINC000224356626 568579101 /nfs/dbraw/zinc/57/91/01/568579101.db2.gz RASJOMUPTFPQGN-VQTJNVASSA-N 0 0 413.999 6.097 40 0 HKABRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 ZINC000224356669 568579032 /nfs/dbraw/zinc/57/90/32/568579032.db2.gz RASJOMUPTFPQGN-WOJBJXKFSA-N 0 0 413.999 6.097 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COCc1ccccc1 ZINC000224357423 568579069 /nfs/dbraw/zinc/57/90/69/568579069.db2.gz CTFTVHFNDXZLSX-FQEVSTJZSA-N 0 0 403.522 5.163 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COCc1ccccc1 ZINC000224357470 568579011 /nfs/dbraw/zinc/57/90/11/568579011.db2.gz CTFTVHFNDXZLSX-HXUWFJFHSA-N 0 0 403.522 5.163 40 0 HKABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COCc1ccccc1 ZINC000224358074 568579036 /nfs/dbraw/zinc/57/90/36/568579036.db2.gz ISVRURCVQBKOIJ-KRWDZBQOSA-N 0 0 409.913 5.556 40 0 HKABRN COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COCc1ccccc1 ZINC000224358098 568579082 /nfs/dbraw/zinc/57/90/82/568579082.db2.gz ISVRURCVQBKOIJ-QGZVFWFLSA-N 0 0 409.913 5.556 40 0 HKABRN O=C(COc1cccc2c1CCCC2)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000224358620 568579014 /nfs/dbraw/zinc/57/90/14/568579014.db2.gz MWLOIAXMYZLTLF-JOCHJYFZSA-N 0 0 405.538 5.287 40 0 HKABRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 ZINC000224358666 568579021 /nfs/dbraw/zinc/57/90/21/568579021.db2.gz JNLGEDFMHZXCJV-GOTSBHOMSA-N 0 0 404.583 5.765 40 0 HKABRN O=C(COc1cccc2c1CCCC2)N[C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000224358676 568579071 /nfs/dbraw/zinc/57/90/71/568579071.db2.gz MWLOIAXMYZLTLF-QFIPXVFZSA-N 0 0 405.538 5.287 40 0 HKABRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 ZINC000224358718 568579090 /nfs/dbraw/zinc/57/90/90/568579090.db2.gz JNLGEDFMHZXCJV-PKTZIBPZSA-N 0 0 404.583 5.765 40 0 HKABRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 ZINC000224358755 568579130 /nfs/dbraw/zinc/57/91/30/568579130.db2.gz JNLGEDFMHZXCJV-XZOQPEGZSA-N 0 0 404.583 5.765 40 0 HKABRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 ZINC000224358796 568579146 /nfs/dbraw/zinc/57/91/46/568579146.db2.gz JNLGEDFMHZXCJV-DHIUTWEWSA-N 0 0 404.583 5.765 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000224359689 568579220 /nfs/dbraw/zinc/57/92/20/568579220.db2.gz VSWDWQNKECPZSC-XMMPIXPASA-N 0 0 417.574 6.513 40 0 HKABRN CCN(c1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000224359719 568579172 /nfs/dbraw/zinc/57/91/72/568579172.db2.gz YEMMYVQYCNBTKT-UHFFFAOYSA-N 0 0 422.550 5.079 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000224359742 568579131 /nfs/dbraw/zinc/57/91/31/568579131.db2.gz VSWDWQNKECPZSC-DEOSSOPVSA-N 0 0 417.574 6.513 40 0 HKABRN CCN(c1ccc(C(=O)Nc2ccccc2C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000224359881 568579137 /nfs/dbraw/zinc/57/91/37/568579137.db2.gz VONLELJDLRVIHE-UHFFFAOYSA-N 0 0 422.550 5.278 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1 ZINC000224360050 568579210 /nfs/dbraw/zinc/57/92/10/568579210.db2.gz JAYRUFHFXONBPM-UHFFFAOYSA-N 0 0 422.550 5.025 40 0 HKABRN Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)cc1 ZINC000224360498 568579128 /nfs/dbraw/zinc/57/91/28/568579128.db2.gz JKSCAGYGEXOTPL-RLWLMLJZSA-N 0 0 401.550 6.100 40 0 HKABRN Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)cc1 ZINC000224360548 568579160 /nfs/dbraw/zinc/57/91/60/568579160.db2.gz JKSCAGYGEXOTPL-QFQXNSOFSA-N 0 0 401.550 6.100 40 0 HKABRN Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)cc1 ZINC000224360599 568579192 /nfs/dbraw/zinc/57/91/92/568579192.db2.gz JKSCAGYGEXOTPL-LVXARBLLSA-N 0 0 401.550 6.100 40 0 HKABRN Cc1ccc([C@H](NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)cc1 ZINC000224360647 568579222 /nfs/dbraw/zinc/57/92/22/568579222.db2.gz JKSCAGYGEXOTPL-HFZDXXHNSA-N 0 0 401.550 6.100 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1ccccc1 ZINC000224362521 568579176 /nfs/dbraw/zinc/57/91/76/568579176.db2.gz QOUOMIRPFPZYJA-UHFFFAOYSA-N 0 0 416.304 6.223 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1ccccc1 ZINC000224362593 568579184 /nfs/dbraw/zinc/57/91/84/568579184.db2.gz YEWOVDSIJAFXJP-UHFFFAOYSA-N 0 0 416.304 6.223 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccccc1 ZINC000224362675 568579139 /nfs/dbraw/zinc/57/91/39/568579139.db2.gz MSRKSJZCCIITIR-UHFFFAOYSA-N 0 0 416.304 6.223 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1ccccc1 ZINC000224362758 568579178 /nfs/dbraw/zinc/57/91/78/568579178.db2.gz XCUAWCCRUNXKFD-UHFFFAOYSA-N 0 0 416.304 6.223 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1ccccc1 ZINC000224362810 568579129 /nfs/dbraw/zinc/57/91/29/568579129.db2.gz XELIWDKTFODOOH-UHFFFAOYSA-N 0 0 416.304 6.223 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccccc1 ZINC000224363198 568579236 /nfs/dbraw/zinc/57/92/36/568579236.db2.gz KLXZVTBHFLPZOK-UHFFFAOYSA-N 0 0 415.411 5.935 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccccc1 ZINC000224363266 568579277 /nfs/dbraw/zinc/57/92/77/568579277.db2.gz PRCCUWYSURJXCI-UHFFFAOYSA-N 0 0 415.411 5.935 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccccc1 ZINC000224363344 568579233 /nfs/dbraw/zinc/57/92/33/568579233.db2.gz IBEASEFFGWTIEJ-UHFFFAOYSA-N 0 0 415.411 5.935 40 0 HKABRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1 ZINC000224363596 568579234 /nfs/dbraw/zinc/57/92/34/568579234.db2.gz OLJZGFIWURADEI-GOTSBHOMSA-N 0 0 418.610 5.939 40 0 HKABRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1 ZINC000224363639 568579273 /nfs/dbraw/zinc/57/92/73/568579273.db2.gz OLJZGFIWURADEI-PKTZIBPZSA-N 0 0 418.610 5.939 40 0 HKABRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 ZINC000224363686 568579308 /nfs/dbraw/zinc/57/93/08/568579308.db2.gz OLJZGFIWURADEI-XZOQPEGZSA-N 0 0 418.610 5.939 40 0 HKABRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 ZINC000224363726 568579303 /nfs/dbraw/zinc/57/93/03/568579303.db2.gz OLJZGFIWURADEI-DHIUTWEWSA-N 0 0 418.610 5.939 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1C ZINC000224364159 568579312 /nfs/dbraw/zinc/57/93/12/568579312.db2.gz MBBYRKLOGQQKSD-DHIUTWEWSA-N 0 0 404.583 5.337 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1C ZINC000224364201 568579309 /nfs/dbraw/zinc/57/93/09/568579309.db2.gz MBBYRKLOGQQKSD-PKTZIBPZSA-N 0 0 404.583 5.337 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1C ZINC000224364243 568579266 /nfs/dbraw/zinc/57/92/66/568579266.db2.gz MBBYRKLOGQQKSD-XZOQPEGZSA-N 0 0 404.583 5.337 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1C ZINC000224364289 568579280 /nfs/dbraw/zinc/57/92/80/568579280.db2.gz MBBYRKLOGQQKSD-GOTSBHOMSA-N 0 0 404.583 5.337 40 0 HKABRN CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224364349 568579289 /nfs/dbraw/zinc/57/92/89/568579289.db2.gz LRALFZMDOAFQJQ-DNQXCXABSA-N 0 0 418.610 5.820 40 0 HKABRN CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224364394 568579284 /nfs/dbraw/zinc/57/92/84/568579284.db2.gz LRALFZMDOAFQJQ-RPWUZVMVSA-N 0 0 418.610 5.820 40 0 HKABRN CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224364435 568579299 /nfs/dbraw/zinc/57/92/99/568579299.db2.gz LRALFZMDOAFQJQ-BJKOFHAPSA-N 0 0 418.610 5.820 40 0 HKABRN CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C ZINC000224364482 568579237 /nfs/dbraw/zinc/57/92/37/568579237.db2.gz LRALFZMDOAFQJQ-ZEQRLZLVSA-N 0 0 418.610 5.820 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1ccccc1 ZINC000224364582 568579275 /nfs/dbraw/zinc/57/92/75/568579275.db2.gz AHWYTCMRFNMQAO-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1COc1ccccc1 ZINC000224364633 568579250 /nfs/dbraw/zinc/57/92/50/568579250.db2.gz IPVHWVRFZITRGC-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COc3ccccc3)c2)cc1 ZINC000224364894 568579307 /nfs/dbraw/zinc/57/93/07/568579307.db2.gz VJGQFNSWEXXYEY-UHFFFAOYSA-N 0 0 419.477 5.093 40 0 HKABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000224365083 568579264 /nfs/dbraw/zinc/57/92/64/568579264.db2.gz RLBQBXFQZMGXRP-QGZVFWFLSA-N 0 0 421.924 6.417 40 0 HKABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000224365129 568579310 /nfs/dbraw/zinc/57/93/10/568579310.db2.gz RLBQBXFQZMGXRP-KRWDZBQOSA-N 0 0 421.924 6.417 40 0 HKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000224365874 568579241 /nfs/dbraw/zinc/57/92/41/568579241.db2.gz ZSVROZDRKKXQJG-LEYFIJQKSA-N 0 0 416.546 5.021 40 0 HKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000224365925 568579245 /nfs/dbraw/zinc/57/92/45/568579245.db2.gz ZSVROZDRKKXQJG-NRPPHEFGSA-N 0 0 416.546 5.021 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(OCC)c(COc3ccccc3)c2)cc1 ZINC000224367274 568579345 /nfs/dbraw/zinc/57/93/45/568579345.db2.gz ZBPJHGPHTMOUKH-UHFFFAOYSA-N 0 0 403.522 6.259 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COc1ccccc1 ZINC000224367576 568579360 /nfs/dbraw/zinc/57/93/60/568579360.db2.gz NSACTYJYJMPFDZ-UHFFFAOYSA-N 0 0 403.522 6.041 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccccc1 ZINC000224368191 568579362 /nfs/dbraw/zinc/57/93/62/568579362.db2.gz AZTNMCATRHVNTC-FQEVSTJZSA-N 0 0 403.522 5.415 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccccc1 ZINC000224368236 568579359 /nfs/dbraw/zinc/57/93/59/568579359.db2.gz AZTNMCATRHVNTC-HXUWFJFHSA-N 0 0 403.522 5.415 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1 ZINC000224368615 568579367 /nfs/dbraw/zinc/57/93/67/568579367.db2.gz BQBXTLAEOLVIQO-KRWDZBQOSA-N 0 0 409.913 5.809 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1 ZINC000224368656 568579353 /nfs/dbraw/zinc/57/93/53/568579353.db2.gz BQBXTLAEOLVIQO-QGZVFWFLSA-N 0 0 409.913 5.809 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccccc1C ZINC000224370327 568579398 /nfs/dbraw/zinc/57/93/98/568579398.db2.gz RMJFQRZFRPLQTD-UHFFFAOYSA-N 0 0 409.913 5.556 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccccc1C ZINC000224370399 568579346 /nfs/dbraw/zinc/57/93/46/568579346.db2.gz VORBFNGXGCTCSH-UHFFFAOYSA-N 0 0 409.913 5.556 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1ccccc1C ZINC000224371620 568579416 /nfs/dbraw/zinc/57/94/16/568579416.db2.gz WRJKPORBMNPHQS-UHFFFAOYSA-N 0 0 403.522 6.096 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccccc1C ZINC000224371903 568579401 /nfs/dbraw/zinc/57/94/01/568579401.db2.gz HDHWLIFFYCUFHN-UHFFFAOYSA-N 0 0 403.522 6.348 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc3ccccc32)cc1COc1ccccc1C ZINC000224371979 568579376 /nfs/dbraw/zinc/57/93/76/568579376.db2.gz DCJHROGIGCXCRQ-UHFFFAOYSA-N 0 0 411.501 6.378 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccccc1C ZINC000224372859 568579357 /nfs/dbraw/zinc/57/93/57/568579357.db2.gz MNDCEPPHZDTEIU-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccccc1C ZINC000224372927 568579354 /nfs/dbraw/zinc/57/93/54/568579354.db2.gz PNFCCPOKDKBUDK-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccccc1C ZINC000224372998 568579351 /nfs/dbraw/zinc/57/93/51/568579351.db2.gz DBDMWGLGNBMRHN-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccccc1C ZINC000224373070 568579408 /nfs/dbraw/zinc/57/94/08/568579408.db2.gz NTCKHYWNJNPBID-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccccc1C ZINC000224373813 568579474 /nfs/dbraw/zinc/57/94/74/568579474.db2.gz LJSJNARNTBIANZ-UHFFFAOYSA-N 0 0 413.876 6.018 40 0 HKABRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 ZINC000224374319 568579499 /nfs/dbraw/zinc/57/94/99/568579499.db2.gz ZWEXSDYJBTUKNA-GOTSBHOMSA-N 0 0 404.583 5.765 40 0 HKABRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 ZINC000224374369 568579490 /nfs/dbraw/zinc/57/94/90/568579490.db2.gz ZWEXSDYJBTUKNA-PKTZIBPZSA-N 0 0 404.583 5.765 40 0 HKABRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1 ZINC000224374414 568579464 /nfs/dbraw/zinc/57/94/64/568579464.db2.gz ZWEXSDYJBTUKNA-XZOQPEGZSA-N 0 0 404.583 5.765 40 0 HKABRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1 ZINC000224374458 568579472 /nfs/dbraw/zinc/57/94/72/568579472.db2.gz ZWEXSDYJBTUKNA-DHIUTWEWSA-N 0 0 404.583 5.765 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1ccccc1C ZINC000224374501 568579480 /nfs/dbraw/zinc/57/94/80/568579480.db2.gz ANBRAMWXZVAPGS-UHFFFAOYSA-N 0 0 405.494 5.624 40 0 HKABRN CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3ccccc3C)c2)cc1 ZINC000224374579 568579496 /nfs/dbraw/zinc/57/94/96/568579496.db2.gz HARQEFFXIXDHRJ-UHFFFAOYSA-N 0 0 405.494 5.624 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1COc1ccccc1C ZINC000224374825 568579482 /nfs/dbraw/zinc/57/94/82/568579482.db2.gz NGLWXFGESJVWEV-UHFFFAOYSA-N 0 0 421.493 5.242 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1COc1ccccc1C ZINC000224374902 568579459 /nfs/dbraw/zinc/57/94/59/568579459.db2.gz QWTXDLUTNAIBRT-UHFFFAOYSA-N 0 0 421.493 5.242 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccccc1C ZINC000224374978 568579504 /nfs/dbraw/zinc/57/95/04/568579504.db2.gz WZSGHRNFOTWEOL-UHFFFAOYSA-N 0 0 421.493 5.242 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccccc1C ZINC000224375176 568579460 /nfs/dbraw/zinc/57/94/60/568579460.db2.gz JDYXOQSUMFUUQC-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccccc1C ZINC000224375403 568579475 /nfs/dbraw/zinc/57/94/75/568579475.db2.gz OXEBKJTYOPPIMB-UHFFFAOYSA-N 0 0 407.535 5.947 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1COc1ccccc1C ZINC000224375479 568579463 /nfs/dbraw/zinc/57/94/63/568579463.db2.gz DATZYKIMFORMKI-UHFFFAOYSA-N 0 0 419.477 5.012 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1COc1ccccc1C ZINC000224375548 568579498 /nfs/dbraw/zinc/57/94/98/568579498.db2.gz FZIYHEKKYUCDFB-UHFFFAOYSA-N 0 0 419.477 5.012 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccccc1C ZINC000224375847 568579465 /nfs/dbraw/zinc/57/94/65/568579465.db2.gz DVNCXZRBIHBYMS-UHFFFAOYSA-N 0 0 403.478 5.428 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccccc1C ZINC000224376012 568579461 /nfs/dbraw/zinc/57/94/61/568579461.db2.gz BTOAELUNRQXMDT-UHFFFAOYSA-N 0 0 418.493 5.183 40 0 HKABRN CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccccc1C ZINC000224377680 568579624 /nfs/dbraw/zinc/57/96/24/568579624.db2.gz CXSPIMBGKDDASJ-UHFFFAOYSA-N 0 0 401.506 5.171 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(OCC)c(COc3ccccc3C)c2)cc1 ZINC000224378261 568579584 /nfs/dbraw/zinc/57/95/84/568579584.db2.gz GQALLUBOTHXXOR-UHFFFAOYSA-N 0 0 417.549 6.568 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccccc1C ZINC000224378331 568579619 /nfs/dbraw/zinc/57/96/19/568579619.db2.gz RYLOEJSJFSLUSO-UHFFFAOYSA-N 0 0 407.535 5.947 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccccc1C ZINC000224378529 568579582 /nfs/dbraw/zinc/57/95/82/568579582.db2.gz UECFAHNJTAVDNS-UHFFFAOYSA-N 0 0 403.522 6.150 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COc1ccccc1C ZINC000224378610 568579604 /nfs/dbraw/zinc/57/96/04/568579604.db2.gz KVAYACDEERMDOL-UHFFFAOYSA-N 0 0 417.549 6.350 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccccc1C ZINC000224378957 568579599 /nfs/dbraw/zinc/57/95/99/568579599.db2.gz AOMIFDCICLCMJO-UHFFFAOYSA-N 0 0 418.493 5.183 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccccc1C ZINC000224379328 568579583 /nfs/dbraw/zinc/57/95/83/568579583.db2.gz XJWJTYNKRKVYOG-NRFANRHFSA-N 0 0 417.549 5.724 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccccc1C ZINC000224379389 568579640 /nfs/dbraw/zinc/57/96/40/568579640.db2.gz XJWJTYNKRKVYOG-OAQYLSRUSA-N 0 0 417.549 5.724 40 0 HKABRN O=C(NCCc1ccc(Cl)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000224379929 568579589 /nfs/dbraw/zinc/57/95/89/568579589.db2.gz PJOTVWUARIQCRC-UHFFFAOYSA-N 0 0 411.954 5.484 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1C ZINC000224379950 568579639 /nfs/dbraw/zinc/57/96/39/568579639.db2.gz GXMFOWZPMJIHOE-SFHVURJKSA-N 0 0 423.940 6.117 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1C ZINC000224379985 568579574 /nfs/dbraw/zinc/57/95/74/568579574.db2.gz GXMFOWZPMJIHOE-GOSISDBHSA-N 0 0 423.940 6.117 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccccc1C ZINC000224380200 568579642 /nfs/dbraw/zinc/57/96/42/568579642.db2.gz RMWBQTZDFYDPFR-SFHVURJKSA-N 0 0 407.485 5.603 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccccc1C ZINC000224380265 568579626 /nfs/dbraw/zinc/57/96/26/568579626.db2.gz RMWBQTZDFYDPFR-GOSISDBHSA-N 0 0 407.485 5.603 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c(C)c1 ZINC000224380685 568579587 /nfs/dbraw/zinc/57/95/87/568579587.db2.gz VVEYGQRKTODJGX-IQJJTXKVSA-N 0 0 418.562 5.322 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c(C)c1 ZINC000224380721 568579577 /nfs/dbraw/zinc/57/95/77/568579577.db2.gz VVEYGQRKTODJGX-MIDMBNTASA-N 0 0 418.562 5.322 40 0 HKABRN CCc1ccc(OCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000224381278 568579712 /nfs/dbraw/zinc/57/97/12/568579712.db2.gz URWQPIZJCSVCII-UHFFFAOYSA-N 0 0 421.562 5.229 40 0 HKABRN Cc1ccc(OCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)c(C)c1 ZINC000224381359 568579746 /nfs/dbraw/zinc/57/97/46/568579746.db2.gz JRAKZVBOFVXROO-UHFFFAOYSA-N 0 0 421.562 5.283 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1cccc(C)c1 ZINC000224381361 568579705 /nfs/dbraw/zinc/57/97/05/568579705.db2.gz OPWXEJGZJPZLLD-UHFFFAOYSA-N 0 0 409.913 5.556 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1cccc(C)c1 ZINC000224381423 568579675 /nfs/dbraw/zinc/57/96/75/568579675.db2.gz DRVFICAUHGGBRK-UHFFFAOYSA-N 0 0 409.913 5.556 40 0 HKABRN Cc1ccc(OCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1C ZINC000224381524 568579685 /nfs/dbraw/zinc/57/96/85/568579685.db2.gz OJZSRIYNKHGRNR-UHFFFAOYSA-N 0 0 421.562 5.283 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1cccc(C)c1 ZINC000224382742 568579752 /nfs/dbraw/zinc/57/97/52/568579752.db2.gz JLRVKVZSWHMBJE-UHFFFAOYSA-N 0 0 403.522 6.096 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1cccc(C)c1 ZINC000224383112 568579701 /nfs/dbraw/zinc/57/97/01/568579701.db2.gz NOMKGLATWAYUKX-UHFFFAOYSA-N 0 0 403.522 6.348 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc3ccccc32)cc1COc1cccc(C)c1 ZINC000224383189 568579716 /nfs/dbraw/zinc/57/97/16/568579716.db2.gz OPVOXJHLCQQFFB-UHFFFAOYSA-N 0 0 411.501 6.378 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1cccc(C)c1 ZINC000224383866 568579687 /nfs/dbraw/zinc/57/96/87/568579687.db2.gz XNAZMKCNDMMIGI-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccccc1C ZINC000224383917 568579717 /nfs/dbraw/zinc/57/97/17/568579717.db2.gz HCXCSOKOBSTWGG-LEYFIJQKSA-N 0 0 418.562 5.403 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1cccc(C)c1 ZINC000224383935 568579750 /nfs/dbraw/zinc/57/97/50/568579750.db2.gz POIAAHJDEUJVAY-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccccc1C ZINC000224383961 568579676 /nfs/dbraw/zinc/57/96/76/568579676.db2.gz HCXCSOKOBSTWGG-NRPPHEFGSA-N 0 0 418.562 5.403 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1cccc(C)c1 ZINC000224383987 568579699 /nfs/dbraw/zinc/57/96/99/568579699.db2.gz PXDYMJBFGVJEBO-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1cccc(C)c1 ZINC000224384063 568579725 /nfs/dbraw/zinc/57/97/25/568579725.db2.gz RFTGGVIDVWTPJX-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1cccc(C)c1 ZINC000224384848 568579793 /nfs/dbraw/zinc/57/97/93/568579793.db2.gz GYXLGHSOYUGQHK-UHFFFAOYSA-N 0 0 413.876 6.018 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1cccc(C)c1 ZINC000224385516 568579804 /nfs/dbraw/zinc/57/98/04/568579804.db2.gz MHDGMSPLLRBCQI-UHFFFAOYSA-N 0 0 405.494 5.624 40 0 HKABRN CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3cccc(C)c3)c2)cc1 ZINC000224385591 568579798 /nfs/dbraw/zinc/57/97/98/568579798.db2.gz XVPSPOPQVMNYBE-UHFFFAOYSA-N 0 0 405.494 5.624 40 0 HKABRN Cc1ccccc1[C@@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccccc1 ZINC000224385611 568579821 /nfs/dbraw/zinc/57/98/21/568579821.db2.gz JONLVALUSQFYIM-QHCPKHFHSA-N 0 0 413.945 5.927 40 0 HKABRN Cc1ccccc1[C@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccccc1 ZINC000224385658 568579786 /nfs/dbraw/zinc/57/97/86/568579786.db2.gz JONLVALUSQFYIM-HSZRJFAPSA-N 0 0 413.945 5.927 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000224385742 568579838 /nfs/dbraw/zinc/57/98/38/568579838.db2.gz QMZDYKDKVJLEAI-UHFFFAOYSA-N 0 0 413.568 5.145 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1COc1cccc(C)c1 ZINC000224385835 568579832 /nfs/dbraw/zinc/57/98/32/568579832.db2.gz NLBNTYLSVVAOEI-UHFFFAOYSA-N 0 0 421.493 5.242 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1COc1cccc(C)c1 ZINC000224385912 568579803 /nfs/dbraw/zinc/57/98/03/568579803.db2.gz YYPDVTSUPUPNBB-UHFFFAOYSA-N 0 0 421.493 5.242 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1cccc(C)c1 ZINC000224385988 568579840 /nfs/dbraw/zinc/57/98/40/568579840.db2.gz PXGXGHFBFOVGED-UHFFFAOYSA-N 0 0 421.493 5.242 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1cccc(C)c1 ZINC000224386188 568579812 /nfs/dbraw/zinc/57/98/12/568579812.db2.gz PTHIDCINBDMYSL-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1cccc(C)c1 ZINC000224386361 568579787 /nfs/dbraw/zinc/57/97/87/568579787.db2.gz IJCJJIJKJSDFCF-UHFFFAOYSA-N 0 0 407.535 5.947 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1COc1cccc(C)c1 ZINC000224386434 568579795 /nfs/dbraw/zinc/57/97/95/568579795.db2.gz CFHXLEMHQJLBKF-UHFFFAOYSA-N 0 0 419.477 5.012 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1COc1cccc(C)c1 ZINC000224386486 568579785 /nfs/dbraw/zinc/57/97/85/568579785.db2.gz FUYJZJOPVYDOML-UHFFFAOYSA-N 0 0 419.477 5.012 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1cccc(C)c1 ZINC000224386736 568579908 /nfs/dbraw/zinc/57/99/08/568579908.db2.gz JGICAPRKUZEFBQ-UHFFFAOYSA-N 0 0 403.478 5.428 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1cccc(C)c1 ZINC000224386853 568579920 /nfs/dbraw/zinc/57/99/20/568579920.db2.gz XUIFYXNWDIOXLE-UHFFFAOYSA-N 0 0 418.493 5.183 40 0 HKABRN CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1cccc(C)c1 ZINC000224388282 568579923 /nfs/dbraw/zinc/57/99/23/568579923.db2.gz HXSBFXYKFIPBRU-UHFFFAOYSA-N 0 0 401.506 5.171 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(OCC)c(COc3cccc(C)c3)c2)cc1 ZINC000224388828 568579914 /nfs/dbraw/zinc/57/99/14/568579914.db2.gz NHWPJBIIABGNMX-UHFFFAOYSA-N 0 0 417.549 6.568 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1cccc(C)c1 ZINC000224388884 568579938 /nfs/dbraw/zinc/57/99/38/568579938.db2.gz BBAJKEXWOYXSQD-UHFFFAOYSA-N 0 0 407.535 5.947 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1cccc(C)c1 ZINC000224389085 568579910 /nfs/dbraw/zinc/57/99/10/568579910.db2.gz KZVGQSRDPBKNJY-UHFFFAOYSA-N 0 0 403.522 6.150 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COc1cccc(C)c1 ZINC000224389150 568579925 /nfs/dbraw/zinc/57/99/25/568579925.db2.gz MCZQZIPKJUORDN-UHFFFAOYSA-N 0 0 417.549 6.350 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1cccc(C)c1 ZINC000224389527 568579941 /nfs/dbraw/zinc/57/99/41/568579941.db2.gz FVXXRLXEVWFQMU-UHFFFAOYSA-N 0 0 418.493 5.183 40 0 HKABRN COc1ccc(C(=O)N2CCc3ccccc3C2)cc1CSc1ccc(Cl)cc1 ZINC000224390541 568580057 /nfs/dbraw/zinc/58/00/57/568580057.db2.gz BACKVEHBLOUGGA-UHFFFAOYSA-N 0 0 423.965 5.839 40 0 HKABRN COc1ccc(C(=O)NC2CCCCCCC2)cc1CSc1ccc(Cl)cc1 ZINC000224392030 568580008 /nfs/dbraw/zinc/58/00/08/568580008.db2.gz KNUBNUTUVQRVGO-UHFFFAOYSA-N 0 0 418.002 6.484 40 0 HKABRN COc1ccc(C(=O)NCc2ccc(F)cc2)cc1CSc1ccc(Cl)cc1 ZINC000224392670 568580124 /nfs/dbraw/zinc/58/01/24/568580124.db2.gz GNBRQRPPKGTPMQ-UHFFFAOYSA-N 0 0 415.917 5.710 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C1CC1 ZINC000224392695 568580106 /nfs/dbraw/zinc/58/01/06/568580106.db2.gz LWIJZNXMTFGJSD-FGZHOGPDSA-N 0 0 406.530 5.151 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C1CC1 ZINC000224392733 568580103 /nfs/dbraw/zinc/58/01/03/568580103.db2.gz LWIJZNXMTFGJSD-YADHBBJMSA-N 0 0 406.530 5.151 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C1CC1 ZINC000224392770 568580128 /nfs/dbraw/zinc/58/01/28/568580128.db2.gz LWIJZNXMTFGJSD-FCHUYYIVSA-N 0 0 406.530 5.151 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C1CC1 ZINC000224392814 568580156 /nfs/dbraw/zinc/58/01/56/568580156.db2.gz LWIJZNXMTFGJSD-VXKWHMMOSA-N 0 0 406.530 5.151 40 0 HKABRN CCOc1ccc(CCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1OCC ZINC000224394543 568580144 /nfs/dbraw/zinc/58/01/44/568580144.db2.gz FEZAMSLVHOORDA-UHFFFAOYSA-N 0 0 403.478 5.955 40 0 HKABRN CCOc1ccc(CCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1OCC ZINC000224394940 568580154 /nfs/dbraw/zinc/58/01/54/568580154.db2.gz ZYEDAJKKPJCZKG-UHFFFAOYSA-N 0 0 404.510 5.041 40 0 HKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 ZINC000224395362 568580146 /nfs/dbraw/zinc/58/01/46/568580146.db2.gz IGRCNJIKCBPABX-VXKWHMMOSA-N 0 0 406.530 5.314 40 0 HKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 ZINC000224395413 568580139 /nfs/dbraw/zinc/58/01/39/568580139.db2.gz IGRCNJIKCBPABX-YADHBBJMSA-N 0 0 406.530 5.314 40 0 HKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 ZINC000224395449 568580227 /nfs/dbraw/zinc/58/02/27/568580227.db2.gz IGRCNJIKCBPABX-FCHUYYIVSA-N 0 0 406.530 5.314 40 0 HKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 ZINC000224395490 568580205 /nfs/dbraw/zinc/58/02/05/568580205.db2.gz IGRCNJIKCBPABX-FGZHOGPDSA-N 0 0 406.530 5.314 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C(C)C ZINC000224396520 568580234 /nfs/dbraw/zinc/58/02/34/568580234.db2.gz IZPYWDOFISICQL-FGZHOGPDSA-N 0 0 408.546 5.397 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C(C)C ZINC000224396574 568580209 /nfs/dbraw/zinc/58/02/09/568580209.db2.gz IZPYWDOFISICQL-YADHBBJMSA-N 0 0 408.546 5.397 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C(C)C ZINC000224396612 568580241 /nfs/dbraw/zinc/58/02/41/568580241.db2.gz IZPYWDOFISICQL-FCHUYYIVSA-N 0 0 408.546 5.397 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C(C)C ZINC000224396659 568580257 /nfs/dbraw/zinc/58/02/57/568580257.db2.gz IZPYWDOFISICQL-VXKWHMMOSA-N 0 0 408.546 5.397 40 0 HKABRN CC(C)(C)CC(C)(C)NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000224398238 568580253 /nfs/dbraw/zinc/58/02/53/568580253.db2.gz PNYNVUJXYGCKGI-UHFFFAOYSA-N 0 0 422.978 5.085 40 0 HKABRN CCCC[C@@H](CC)CNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000224398470 568580193 /nfs/dbraw/zinc/58/01/93/568580193.db2.gz IXONFURATMYHTF-MRXNPFEDSA-N 0 0 422.978 5.087 40 0 HKABRN CCCC[C@H](CC)CNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000224398515 568580183 /nfs/dbraw/zinc/58/01/83/568580183.db2.gz IXONFURATMYHTF-INIZCTEOSA-N 0 0 422.978 5.087 40 0 HKABRN CC(C)(C)c1ccc(/C=C/C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000224400573 568580383 /nfs/dbraw/zinc/58/03/83/568580383.db2.gz DNOSNJVKLUSYJO-SDNWHVSQSA-N 0 0 409.580 5.780 40 0 HKABRN CC(C)(C)CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000224402133 568580283 /nfs/dbraw/zinc/58/02/83/568580283.db2.gz KOCZKIYEJKJFFF-UHFFFAOYSA-N 0 0 422.978 5.085 40 0 HKABRN CCCC[C@@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000224402289 568580304 /nfs/dbraw/zinc/58/03/04/568580304.db2.gz WNXPZKXRTGQLDS-MRXNPFEDSA-N 0 0 422.978 5.087 40 0 HKABRN CCCC[C@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000224402314 568580367 /nfs/dbraw/zinc/58/03/67/568580367.db2.gz WNXPZKXRTGQLDS-INIZCTEOSA-N 0 0 422.978 5.087 40 0 HKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 ZINC000224406400 568580497 /nfs/dbraw/zinc/58/04/97/568580497.db2.gz BBTQEHQSYMMILO-GOTSBHOMSA-N 0 0 420.557 5.705 40 0 HKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 ZINC000224406442 568580445 /nfs/dbraw/zinc/58/04/45/568580445.db2.gz BBTQEHQSYMMILO-PKTZIBPZSA-N 0 0 420.557 5.705 40 0 HKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 ZINC000224406478 568580498 /nfs/dbraw/zinc/58/04/98/568580498.db2.gz BBTQEHQSYMMILO-XZOQPEGZSA-N 0 0 420.557 5.705 40 0 HKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 ZINC000224406517 568580500 /nfs/dbraw/zinc/58/05/00/568580500.db2.gz BBTQEHQSYMMILO-DHIUTWEWSA-N 0 0 420.557 5.705 40 0 HKABRN CC(C)(C)CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000224407782 568580440 /nfs/dbraw/zinc/58/04/40/568580440.db2.gz IUMWZDSXDGIAFR-UHFFFAOYSA-N 0 0 422.978 5.085 40 0 HKABRN CCCC[C@@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000224407977 568580544 /nfs/dbraw/zinc/58/05/44/568580544.db2.gz QHUBZDWSTWPFCA-MRXNPFEDSA-N 0 0 422.978 5.087 40 0 HKABRN CCCC[C@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000224408024 568580562 /nfs/dbraw/zinc/58/05/62/568580562.db2.gz QHUBZDWSTWPFCA-INIZCTEOSA-N 0 0 422.978 5.087 40 0 HKABRN CCOCc1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1OC ZINC000224408385 568580554 /nfs/dbraw/zinc/58/05/54/568580554.db2.gz ARYXKHKHDRTKPK-UHFFFAOYSA-N 0 0 411.885 5.930 40 0 HKABRN CCOCc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OC ZINC000224408873 568580555 /nfs/dbraw/zinc/58/05/55/568580555.db2.gz ZJDIRMZLLUFCKO-UHFFFAOYSA-N 0 0 423.896 5.368 40 0 HKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 ZINC000224409831 568580564 /nfs/dbraw/zinc/58/05/64/568580564.db2.gz NCUOMAJROINZNK-CEZZIEKDSA-N 0 0 404.535 5.013 40 0 HKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(C)cc2)cc1 ZINC000224409873 568580572 /nfs/dbraw/zinc/58/05/72/568580572.db2.gz NCUOMAJROINZNK-OSVNEOKWSA-N 0 0 404.535 5.013 40 0 HKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000224411185 568580586 /nfs/dbraw/zinc/58/05/86/568580586.db2.gz JFWYAPYUQBPMIV-GOTSBHOMSA-N 0 0 415.493 5.658 40 0 HKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000224411231 568580574 /nfs/dbraw/zinc/58/05/74/568580574.db2.gz JFWYAPYUQBPMIV-PKTZIBPZSA-N 0 0 415.493 5.658 40 0 HKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000224411263 568580619 /nfs/dbraw/zinc/58/06/19/568580619.db2.gz JFWYAPYUQBPMIV-XZOQPEGZSA-N 0 0 415.493 5.658 40 0 HKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 ZINC000224411308 568580536 /nfs/dbraw/zinc/58/05/36/568580536.db2.gz JFWYAPYUQBPMIV-DHIUTWEWSA-N 0 0 415.493 5.658 40 0 HKABRN CCCOCc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1OC ZINC000224414085 568580700 /nfs/dbraw/zinc/58/07/00/568580700.db2.gz IFSJQXKZUIDEFG-UHFFFAOYSA-N 0 0 402.705 5.834 40 0 HKABRN CCCOCc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC ZINC000224414694 568580721 /nfs/dbraw/zinc/58/07/21/568580721.db2.gz BYEHJXXHLJPCDA-UHFFFAOYSA-N 0 0 401.812 5.546 40 0 HKABRN CCCOCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC ZINC000224414781 568580688 /nfs/dbraw/zinc/58/06/88/568580688.db2.gz HGCQNNVXACDYFE-UHFFFAOYSA-N 0 0 401.812 5.546 40 0 HKABRN CCCOCc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC ZINC000224415238 568580693 /nfs/dbraw/zinc/58/06/93/568580693.db2.gz LOENNEFCOZCIOH-UHFFFAOYSA-N 0 0 405.494 5.453 40 0 HKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000224415712 568580727 /nfs/dbraw/zinc/58/07/27/568580727.db2.gz NNGIXXMBBWYKEL-VXKWHMMOSA-N 0 0 406.530 5.314 40 0 HKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000224415761 568580714 /nfs/dbraw/zinc/58/07/14/568580714.db2.gz NNGIXXMBBWYKEL-YADHBBJMSA-N 0 0 406.530 5.314 40 0 HKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000224415799 568580732 /nfs/dbraw/zinc/58/07/32/568580732.db2.gz NNGIXXMBBWYKEL-FCHUYYIVSA-N 0 0 406.530 5.314 40 0 HKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 ZINC000224415856 568580723 /nfs/dbraw/zinc/58/07/23/568580723.db2.gz NNGIXXMBBWYKEL-FGZHOGPDSA-N 0 0 406.530 5.314 40 0 HKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000224415915 568580686 /nfs/dbraw/zinc/58/06/86/568580686.db2.gz HWMHRAXXHTXWFH-GOTSBHOMSA-N 0 0 420.557 5.705 40 0 HKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000224415964 568580697 /nfs/dbraw/zinc/58/06/97/568580697.db2.gz HWMHRAXXHTXWFH-PKTZIBPZSA-N 0 0 420.557 5.705 40 0 HKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000224416001 568580702 /nfs/dbraw/zinc/58/07/02/568580702.db2.gz HWMHRAXXHTXWFH-XZOQPEGZSA-N 0 0 420.557 5.705 40 0 HKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 ZINC000224416047 568580731 /nfs/dbraw/zinc/58/07/31/568580731.db2.gz HWMHRAXXHTXWFH-DHIUTWEWSA-N 0 0 420.557 5.705 40 0 HKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000224416110 568580711 /nfs/dbraw/zinc/58/07/11/568580711.db2.gz IXKPPNPLAHQDEY-GOTSBHOMSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000224416161 568580691 /nfs/dbraw/zinc/58/06/91/568580691.db2.gz IXKPPNPLAHQDEY-PKTZIBPZSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000224416198 568580698 /nfs/dbraw/zinc/58/06/98/568580698.db2.gz IXKPPNPLAHQDEY-XZOQPEGZSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000224416245 568580713 /nfs/dbraw/zinc/58/07/13/568580713.db2.gz IXKPPNPLAHQDEY-DHIUTWEWSA-N 0 0 414.509 5.189 40 0 HKABRN CCCOCc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OC ZINC000224416710 568580729 /nfs/dbraw/zinc/58/07/29/568580729.db2.gz IWSHMSPDELIPAP-UHFFFAOYSA-N 0 0 403.522 5.464 40 0 HKABRN CCCOCc1cc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1OC ZINC000224418855 568580808 /nfs/dbraw/zinc/58/08/08/568580808.db2.gz NNCWDTZGSCXOSW-UHFFFAOYSA-N 0 0 407.535 6.025 40 0 HKABRN CCCOCc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OC ZINC000224419378 568580835 /nfs/dbraw/zinc/58/08/35/568580835.db2.gz JYKWRTQFSRAGGF-UHFFFAOYSA-N 0 0 401.812 5.546 40 0 HKABRN CC(C)CSc1nnc(NC(=O)CSCc2ccc(Cl)cc2Cl)s1 ZINC000224420643 568580771 /nfs/dbraw/zinc/58/07/71/568580771.db2.gz ACLLXXPHNZMPIN-UHFFFAOYSA-N 0 0 422.428 5.465 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C1CC1 ZINC000224425280 568580881 /nfs/dbraw/zinc/58/08/81/568580881.db2.gz RXKWETVMYAKICF-FGZHOGPDSA-N 0 0 406.530 5.151 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C1CC1 ZINC000224425329 568580927 /nfs/dbraw/zinc/58/09/27/568580927.db2.gz RXKWETVMYAKICF-YADHBBJMSA-N 0 0 406.530 5.151 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C1CC1 ZINC000224425383 568580918 /nfs/dbraw/zinc/58/09/18/568580918.db2.gz RXKWETVMYAKICF-FCHUYYIVSA-N 0 0 406.530 5.151 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C1CC1 ZINC000224425436 568580861 /nfs/dbraw/zinc/58/08/61/568580861.db2.gz RXKWETVMYAKICF-VXKWHMMOSA-N 0 0 406.530 5.151 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1COC(C)C ZINC000224425650 568580955 /nfs/dbraw/zinc/58/09/55/568580955.db2.gz ULOADOWVHWYDBV-UHFFFAOYSA-N 0 0 402.705 5.833 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1COC(C)C ZINC000224426258 568580930 /nfs/dbraw/zinc/58/09/30/568580930.db2.gz ZPKHAEJOSXLMEL-UHFFFAOYSA-N 0 0 401.812 5.545 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1COC(C)C ZINC000224426335 568580892 /nfs/dbraw/zinc/58/08/92/568580892.db2.gz GPZMQGGPDZZRSN-UHFFFAOYSA-N 0 0 401.812 5.545 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1COC(C)C ZINC000224426802 568580883 /nfs/dbraw/zinc/58/08/83/568580883.db2.gz YWZPPGUFXMDVIP-UHFFFAOYSA-N 0 0 405.494 5.452 40 0 HKABRN COc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1COC(C)C ZINC000224428439 568581037 /nfs/dbraw/zinc/58/10/37/568581037.db2.gz URVPJLHPOPLHCE-UHFFFAOYSA-N 0 0 403.522 5.463 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 ZINC000224428634 568581061 /nfs/dbraw/zinc/58/10/61/568581061.db2.gz SXWZBARIGOGEIX-VXKWHMMOSA-N 0 0 406.530 5.314 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 ZINC000224428680 568581046 /nfs/dbraw/zinc/58/10/46/568581046.db2.gz SXWZBARIGOGEIX-YADHBBJMSA-N 0 0 406.530 5.314 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000224428717 568581039 /nfs/dbraw/zinc/58/10/39/568581039.db2.gz SXWZBARIGOGEIX-FCHUYYIVSA-N 0 0 406.530 5.314 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000224428763 568581022 /nfs/dbraw/zinc/58/10/22/568581022.db2.gz SXWZBARIGOGEIX-FGZHOGPDSA-N 0 0 406.530 5.314 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C(C)C ZINC000224429798 568581041 /nfs/dbraw/zinc/58/10/41/568581041.db2.gz QTYHDENAYPZZJC-FGZHOGPDSA-N 0 0 408.546 5.397 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C(C)C ZINC000224429849 568581021 /nfs/dbraw/zinc/58/10/21/568581021.db2.gz QTYHDENAYPZZJC-YADHBBJMSA-N 0 0 408.546 5.397 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C(C)C ZINC000224429877 568581062 /nfs/dbraw/zinc/58/10/62/568581062.db2.gz QTYHDENAYPZZJC-FCHUYYIVSA-N 0 0 408.546 5.397 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C(C)C ZINC000224429924 568581052 /nfs/dbraw/zinc/58/10/52/568581052.db2.gz QTYHDENAYPZZJC-VXKWHMMOSA-N 0 0 408.546 5.397 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1COC(C)C ZINC000224430658 568581051 /nfs/dbraw/zinc/58/10/51/568581051.db2.gz JTWHXJRNQYYLAT-UHFFFAOYSA-N 0 0 407.535 6.024 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1COC(C)C ZINC000224431228 568581030 /nfs/dbraw/zinc/58/10/30/568581030.db2.gz RQGMGFGFIDMAJO-UHFFFAOYSA-N 0 0 401.812 5.545 40 0 HKABRN CCCCOCc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1OC ZINC000224437588 568581298 /nfs/dbraw/zinc/58/12/98/568581298.db2.gz IFQPZQYLQFYGCB-UHFFFAOYSA-N 0 0 416.732 6.224 40 0 HKABRN CCCCOCc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1OC ZINC000224437824 568581336 /nfs/dbraw/zinc/58/13/36/568581336.db2.gz ZYCABYZBRGOQQR-UHFFFAOYSA-N 0 0 410.283 5.166 40 0 HKABRN CCCCOCc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC ZINC000224438162 568581253 /nfs/dbraw/zinc/58/12/53/568581253.db2.gz XQWOWWKQGOVPOC-UHFFFAOYSA-N 0 0 415.839 5.936 40 0 HKABRN CCCCOCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC ZINC000224438240 568581269 /nfs/dbraw/zinc/58/12/69/568581269.db2.gz JKZMLEDLSAYWEZ-UHFFFAOYSA-N 0 0 415.839 5.936 40 0 HKABRN CCCCOCc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC ZINC000224438677 568581328 /nfs/dbraw/zinc/58/13/28/568581328.db2.gz WVKHURCSEKFTIX-UHFFFAOYSA-N 0 0 419.521 5.843 40 0 HKABRN CCCCOCc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OC ZINC000224438725 568581324 /nfs/dbraw/zinc/58/13/24/568581324.db2.gz OKDWPHADISZSIR-UHFFFAOYSA-N 0 0 405.494 6.057 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 ZINC000224439605 568581290 /nfs/dbraw/zinc/58/12/90/568581290.db2.gz RSDLPTMCLCPHJA-GOTSBHOMSA-N 0 0 420.557 5.705 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 ZINC000224439656 568581304 /nfs/dbraw/zinc/58/13/04/568581304.db2.gz RSDLPTMCLCPHJA-PKTZIBPZSA-N 0 0 420.557 5.705 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 ZINC000224439688 568581278 /nfs/dbraw/zinc/58/12/78/568581278.db2.gz RSDLPTMCLCPHJA-XZOQPEGZSA-N 0 0 420.557 5.705 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 ZINC000224439735 568581294 /nfs/dbraw/zinc/58/12/94/568581294.db2.gz RSDLPTMCLCPHJA-DHIUTWEWSA-N 0 0 420.557 5.705 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 ZINC000224439783 568581338 /nfs/dbraw/zinc/58/13/38/568581338.db2.gz MEBSDPPCWTXPGJ-GOTSBHOMSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 ZINC000224439829 568581282 /nfs/dbraw/zinc/58/12/82/568581282.db2.gz MEBSDPPCWTXPGJ-PKTZIBPZSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 ZINC000224439868 568581330 /nfs/dbraw/zinc/58/13/30/568581330.db2.gz MEBSDPPCWTXPGJ-XZOQPEGZSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 ZINC000224439910 568581326 /nfs/dbraw/zinc/58/13/26/568581326.db2.gz MEBSDPPCWTXPGJ-DHIUTWEWSA-N 0 0 414.509 5.189 40 0 HKABRN CCCCOCc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OC ZINC000224440208 568581267 /nfs/dbraw/zinc/58/12/67/568581267.db2.gz PRBCQEFYOJUNQB-UHFFFAOYSA-N 0 0 417.549 5.855 40 0 HKABRN CCCCOCc1cc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1OC ZINC000224442434 568581391 /nfs/dbraw/zinc/58/13/91/568581391.db2.gz JZLPHXXUFDGOHB-UHFFFAOYSA-N 0 0 421.562 6.415 40 0 HKABRN CCCCOCc1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1OC ZINC000224442894 568581394 /nfs/dbraw/zinc/58/13/94/568581394.db2.gz CAVOTKMVBVMCSV-UHFFFAOYSA-N 0 0 405.494 6.057 40 0 HKABRN CCCCOCc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OC ZINC000224442978 568581421 /nfs/dbraw/zinc/58/14/21/568581421.db2.gz ZFBJQPKEJNORPK-UHFFFAOYSA-N 0 0 415.839 5.936 40 0 HKABRN CCCCOCc1cc(C(=O)Nc2ccc(C(=O)OCCCC)cc2)ccc1OC ZINC000224443145 568581397 /nfs/dbraw/zinc/58/13/97/568581397.db2.gz UKCWDZNSOGPOHM-UHFFFAOYSA-N 0 0 413.514 5.221 40 0 HKABRN CCCCOCc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1OC ZINC000224443713 568581382 /nfs/dbraw/zinc/58/13/82/568581382.db2.gz GIUGBTBSTIIGKA-UHFFFAOYSA-N 0 0 403.522 5.531 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 ZINC000224444523 568581414 /nfs/dbraw/zinc/58/14/14/568581414.db2.gz QEIWMJKZLPVWHB-GOTSBHOMSA-N 0 0 415.493 5.658 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 ZINC000224444566 568581412 /nfs/dbraw/zinc/58/14/12/568581412.db2.gz QEIWMJKZLPVWHB-PKTZIBPZSA-N 0 0 415.493 5.658 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 ZINC000224444598 568581406 /nfs/dbraw/zinc/58/14/06/568581406.db2.gz QEIWMJKZLPVWHB-XZOQPEGZSA-N 0 0 415.493 5.658 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 ZINC000224444651 568581393 /nfs/dbraw/zinc/58/13/93/568581393.db2.gz QEIWMJKZLPVWHB-DHIUTWEWSA-N 0 0 415.493 5.658 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 ZINC000224449189 568581535 /nfs/dbraw/zinc/58/15/35/568581535.db2.gz INSCMYCGFHYJNY-VXKWHMMOSA-N 0 0 406.530 5.314 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 ZINC000224449235 568581529 /nfs/dbraw/zinc/58/15/29/568581529.db2.gz INSCMYCGFHYJNY-YADHBBJMSA-N 0 0 406.530 5.314 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 ZINC000224449273 568581545 /nfs/dbraw/zinc/58/15/45/568581545.db2.gz INSCMYCGFHYJNY-FCHUYYIVSA-N 0 0 406.530 5.314 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 ZINC000224449323 568581506 /nfs/dbraw/zinc/58/15/06/568581506.db2.gz INSCMYCGFHYJNY-FGZHOGPDSA-N 0 0 406.530 5.314 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 ZINC000224449383 568581485 /nfs/dbraw/zinc/58/14/85/568581485.db2.gz GXBHODVPQVVLAK-GOTSBHOMSA-N 0 0 420.557 5.705 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1COCC(C)C ZINC000224449428 568581538 /nfs/dbraw/zinc/58/15/38/568581538.db2.gz BLIGHKYJTLGCHJ-UHFFFAOYSA-N 0 0 416.732 6.080 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 ZINC000224449438 568581523 /nfs/dbraw/zinc/58/15/23/568581523.db2.gz GXBHODVPQVVLAK-PKTZIBPZSA-N 0 0 420.557 5.705 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 ZINC000224449475 568581503 /nfs/dbraw/zinc/58/15/03/568581503.db2.gz GXBHODVPQVVLAK-XZOQPEGZSA-N 0 0 420.557 5.705 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 ZINC000224449520 568581541 /nfs/dbraw/zinc/58/15/41/568581541.db2.gz GXBHODVPQVVLAK-DHIUTWEWSA-N 0 0 420.557 5.705 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 ZINC000224449579 568581553 /nfs/dbraw/zinc/58/15/53/568581553.db2.gz NZHJTVBIEADNMA-GOTSBHOMSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 ZINC000224449631 568581559 /nfs/dbraw/zinc/58/15/59/568581559.db2.gz NZHJTVBIEADNMA-PKTZIBPZSA-N 0 0 414.509 5.189 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1COCC(C)C ZINC000224449659 568581528 /nfs/dbraw/zinc/58/15/28/568581528.db2.gz PRPHQWQBZOQNNK-UHFFFAOYSA-N 0 0 410.283 5.022 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 ZINC000224449663 568581595 /nfs/dbraw/zinc/58/15/95/568581595.db2.gz NZHJTVBIEADNMA-XZOQPEGZSA-N 0 0 414.509 5.189 40 0 HKABRN Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 ZINC000224449715 568581643 /nfs/dbraw/zinc/58/16/43/568581643.db2.gz NZHJTVBIEADNMA-DHIUTWEWSA-N 0 0 414.509 5.189 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1COCC(C)C ZINC000224450042 568581618 /nfs/dbraw/zinc/58/16/18/568581618.db2.gz ZEOVCXCFKAXGMZ-UHFFFAOYSA-N 0 0 415.839 5.792 40 0 HKABRN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1COCC(C)C ZINC000224450108 568581663 /nfs/dbraw/zinc/58/16/63/568581663.db2.gz ZNILYACSXUWYNW-UHFFFAOYSA-N 0 0 415.839 5.792 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1COCC(C)C ZINC000224450624 568581622 /nfs/dbraw/zinc/58/16/22/568581622.db2.gz SRCCSVRRUADAKY-UHFFFAOYSA-N 0 0 419.521 5.699 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1COCC(C)C ZINC000224450704 568581658 /nfs/dbraw/zinc/58/16/58/568581658.db2.gz QHXYLVKJLGQQEG-UHFFFAOYSA-N 0 0 405.494 5.912 40 0 HKABRN CC(C)Sc1nnc(NC(=O)c2ccccc2SCc2ccccc2)s1 ZINC000224450956 568581648 /nfs/dbraw/zinc/58/16/48/568581648.db2.gz CVPBWDRFYBRLJD-UHFFFAOYSA-N 0 0 401.582 5.583 40 0 HKABRN COc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1COCC(C)C ZINC000224452279 568581578 /nfs/dbraw/zinc/58/15/78/568581578.db2.gz UINVBIWPXQFMLW-UHFFFAOYSA-N 0 0 417.549 5.710 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1c1ccc(Cl)cc1 ZINC000224453601 568581601 /nfs/dbraw/zinc/58/16/01/568581601.db2.gz LNCLMVBRMVAPGT-DLBZAZTESA-N 0 0 406.363 5.627 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1c1ccc(Cl)cc1 ZINC000224453654 568581569 /nfs/dbraw/zinc/58/15/69/568581569.db2.gz LNCLMVBRMVAPGT-IAGOWNOFSA-N 0 0 406.363 5.627 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1c1ccc(Cl)cc1 ZINC000224453702 568581654 /nfs/dbraw/zinc/58/16/54/568581654.db2.gz LNCLMVBRMVAPGT-IRXDYDNUSA-N 0 0 406.363 5.627 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1c1ccc(Cl)cc1 ZINC000224453752 568581764 /nfs/dbraw/zinc/58/17/64/568581764.db2.gz LNCLMVBRMVAPGT-SJORKVTESA-N 0 0 406.363 5.627 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1COCC(C)C ZINC000224454394 568581692 /nfs/dbraw/zinc/58/16/92/568581692.db2.gz KZVDEADTJOYSBD-UHFFFAOYSA-N 0 0 421.562 6.271 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1COCC(C)C ZINC000224454859 568581695 /nfs/dbraw/zinc/58/16/95/568581695.db2.gz PIIPATQINNXKPG-UHFFFAOYSA-N 0 0 405.494 5.912 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1COCC(C)C ZINC000224454934 568581711 /nfs/dbraw/zinc/58/17/11/568581711.db2.gz SYYNWHVGIJJEBR-UHFFFAOYSA-N 0 0 415.839 5.792 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COCC(C)C)c2)cc1 ZINC000224455081 568581721 /nfs/dbraw/zinc/58/17/21/568581721.db2.gz CWXSNNFRRVWNKU-UHFFFAOYSA-N 0 0 413.514 5.077 40 0 HKABRN COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1COCC(C)C ZINC000224455666 568581683 /nfs/dbraw/zinc/58/16/83/568581683.db2.gz IQDOWBICFQMMAK-UHFFFAOYSA-N 0 0 403.522 5.387 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000224457390 568581761 /nfs/dbraw/zinc/58/17/61/568581761.db2.gz DBSIPFDHDNMOSJ-HSZRJFAPSA-N 0 0 405.538 5.490 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000224457449 568581751 /nfs/dbraw/zinc/58/17/51/568581751.db2.gz DBSIPFDHDNMOSJ-QHCPKHFHSA-N 0 0 405.538 5.490 40 0 HKABRN COc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)cc1C(C)C ZINC000224457564 568581735 /nfs/dbraw/zinc/58/17/35/568581735.db2.gz YLVWLFKPQMPWEF-VWLOTQADSA-N 0 0 423.578 5.503 40 0 HKABRN COc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)c2cccc(C)c2)cc1C(C)C ZINC000224457604 568581772 /nfs/dbraw/zinc/58/17/72/568581772.db2.gz YLVWLFKPQMPWEF-RUZDIDTESA-N 0 0 423.578 5.503 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1C1CC1 ZINC000224457898 568581875 /nfs/dbraw/zinc/58/18/75/568581875.db2.gz VTWGIHJFDJGYOM-FGZHOGPDSA-N 0 0 422.985 5.665 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1C1CC1 ZINC000224457948 568581898 /nfs/dbraw/zinc/58/18/98/568581898.db2.gz VTWGIHJFDJGYOM-YADHBBJMSA-N 0 0 422.985 5.665 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1C1CC1 ZINC000224457979 568581832 /nfs/dbraw/zinc/58/18/32/568581832.db2.gz VTWGIHJFDJGYOM-FCHUYYIVSA-N 0 0 422.985 5.665 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1C1CC1 ZINC000224458032 568581804 /nfs/dbraw/zinc/58/18/04/568581804.db2.gz VTWGIHJFDJGYOM-VXKWHMMOSA-N 0 0 422.985 5.665 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1c1ccc(Cl)cc1 ZINC000224460584 568581878 /nfs/dbraw/zinc/58/18/78/568581878.db2.gz FEDLMODKYUYJEW-FCHUYYIVSA-N 0 0 422.985 5.829 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COCc1ccccc1 ZINC000224460595 568581892 /nfs/dbraw/zinc/58/18/92/568581892.db2.gz VPSUSXLUJODCJS-UHFFFAOYSA-N 0 0 416.304 5.971 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1c1ccc(Cl)cc1 ZINC000224460635 568581859 /nfs/dbraw/zinc/58/18/59/568581859.db2.gz FEDLMODKYUYJEW-FGZHOGPDSA-N 0 0 422.985 5.829 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1c1ccc(Cl)cc1 ZINC000224460670 568581842 /nfs/dbraw/zinc/58/18/42/568581842.db2.gz FEDLMODKYUYJEW-VXKWHMMOSA-N 0 0 422.985 5.829 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COCc1ccccc1 ZINC000224460677 568581827 /nfs/dbraw/zinc/58/18/27/568581827.db2.gz XXUSWYVQTMIGOM-UHFFFAOYSA-N 0 0 416.304 5.971 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1c1ccc(Cl)cc1 ZINC000224460713 568581834 /nfs/dbraw/zinc/58/18/34/568581834.db2.gz FEDLMODKYUYJEW-YADHBBJMSA-N 0 0 422.985 5.829 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COCc1ccccc1 ZINC000224460747 568581840 /nfs/dbraw/zinc/58/18/40/568581840.db2.gz KEYQWMAGURQQSW-UHFFFAOYSA-N 0 0 416.304 5.971 40 0 HKABRN CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 ZINC000224460765 568581870 /nfs/dbraw/zinc/58/18/70/568581870.db2.gz DZHAWXSJYBYTIH-WOJBJXKFSA-N 0 0 410.974 5.469 40 0 HKABRN CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 ZINC000224460811 568581844 /nfs/dbraw/zinc/58/18/44/568581844.db2.gz DZHAWXSJYBYTIH-UXHICEINSA-N 0 0 410.974 5.469 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COCc1ccccc1 ZINC000224460817 568581880 /nfs/dbraw/zinc/58/18/80/568581880.db2.gz KGZDNVKJQQZFBS-UHFFFAOYSA-N 0 0 416.304 5.971 40 0 HKABRN CC(C)Sc1nnc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)s1 ZINC000224460823 568581866 /nfs/dbraw/zinc/58/18/66/568581866.db2.gz YPNKQXBQQHKYAK-FOWTUZBSSA-N 0 0 415.971 5.871 40 0 HKABRN CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 ZINC000224460844 568581802 /nfs/dbraw/zinc/58/18/02/568581802.db2.gz DZHAWXSJYBYTIH-VQTJNVASSA-N 0 0 410.974 5.469 40 0 HKABRN CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 ZINC000224460882 568581837 /nfs/dbraw/zinc/58/18/37/568581837.db2.gz DZHAWXSJYBYTIH-PMACEKPBSA-N 0 0 410.974 5.469 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COCc1ccccc1 ZINC000224460893 568581861 /nfs/dbraw/zinc/58/18/61/568581861.db2.gz WFXCFUHXGANWDI-UHFFFAOYSA-N 0 0 416.304 5.971 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COCc1ccccc1 ZINC000224461323 568581863 /nfs/dbraw/zinc/58/18/63/568581863.db2.gz JURHUXSTGFWYIH-UHFFFAOYSA-N 0 0 415.411 5.683 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COCc1ccccc1 ZINC000224461395 568581815 /nfs/dbraw/zinc/58/18/15/568581815.db2.gz SUDQTXMLLTZQLQ-UHFFFAOYSA-N 0 0 415.411 5.683 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000224461400 568581847 /nfs/dbraw/zinc/58/18/47/568581847.db2.gz BOHOKWILPBPXOC-XMMPIXPASA-N 0 0 405.538 5.490 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000224461447 568581828 /nfs/dbraw/zinc/58/18/28/568581828.db2.gz BOHOKWILPBPXOC-DEOSSOPVSA-N 0 0 405.538 5.490 40 0 HKABRN CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224461458 568581823 /nfs/dbraw/zinc/58/18/23/568581823.db2.gz VRXWVVKBBDJMJM-NHCUHLMSSA-N 0 0 410.974 5.350 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COCc1ccccc1 ZINC000224461469 568581930 /nfs/dbraw/zinc/58/19/30/568581930.db2.gz JFRSOZLGRKPVJA-UHFFFAOYSA-N 0 0 415.411 5.683 40 0 HKABRN CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224461496 568581938 /nfs/dbraw/zinc/58/19/38/568581938.db2.gz VRXWVVKBBDJMJM-RTWAWAEBSA-N 0 0 410.974 5.350 40 0 HKABRN CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224461522 568581922 /nfs/dbraw/zinc/58/19/22/568581922.db2.gz VRXWVVKBBDJMJM-LEWJYISDSA-N 0 0 410.974 5.350 40 0 HKABRN CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C ZINC000224461567 568581966 /nfs/dbraw/zinc/58/19/66/568581966.db2.gz VRXWVVKBBDJMJM-SFTDATJTSA-N 0 0 410.974 5.350 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1cccc(C)c1 ZINC000224462254 568581974 /nfs/dbraw/zinc/58/19/74/568581974.db2.gz UAHSXVUEAORQAL-NRFANRHFSA-N 0 0 417.549 5.724 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1cccc(C)c1 ZINC000224462307 568581951 /nfs/dbraw/zinc/58/19/51/568581951.db2.gz UAHSXVUEAORQAL-OAQYLSRUSA-N 0 0 417.549 5.724 40 0 HKABRN O=C(NCCSCc1ccc(Cl)cc1Cl)C1(c2ccccc2)CCCC1 ZINC000224462556 568581939 /nfs/dbraw/zinc/58/19/39/568581939.db2.gz JAXRKCRQXJVIBT-UHFFFAOYSA-N 0 0 408.394 5.855 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1cccc(C)c1 ZINC000224462802 568581993 /nfs/dbraw/zinc/58/19/93/568581993.db2.gz SVJLEJUSZJFCSY-SFHVURJKSA-N 0 0 423.940 6.117 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1cccc(C)c1 ZINC000224462855 568581957 /nfs/dbraw/zinc/58/19/57/568581957.db2.gz SVJLEJUSZJFCSY-GOSISDBHSA-N 0 0 423.940 6.117 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1cccc(C)c1 ZINC000224463057 568581982 /nfs/dbraw/zinc/58/19/82/568581982.db2.gz HCRUUTSWALZSFK-SFHVURJKSA-N 0 0 407.485 5.603 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1cccc(C)c1 ZINC000224463101 568581953 /nfs/dbraw/zinc/58/19/53/568581953.db2.gz HCRUUTSWALZSFK-GOSISDBHSA-N 0 0 407.485 5.603 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccc(C)cc1 ZINC000224464414 568581942 /nfs/dbraw/zinc/58/19/42/568581942.db2.gz HSVLFGRZQZTFPR-UHFFFAOYSA-N 0 0 409.913 5.556 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2cc(C)ccc2C)c1 ZINC000224464430 568581989 /nfs/dbraw/zinc/58/19/89/568581989.db2.gz NENJZTLXRJRGBU-MIDMBNTASA-N 0 0 418.562 5.322 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2cc(C)ccc2C)c1 ZINC000224464479 568581976 /nfs/dbraw/zinc/58/19/76/568581976.db2.gz NENJZTLXRJRGBU-IQJJTXKVSA-N 0 0 418.562 5.322 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccc(C)cc1 ZINC000224464485 568581984 /nfs/dbraw/zinc/58/19/84/568581984.db2.gz UBQZEINYAASGDR-UHFFFAOYSA-N 0 0 409.913 5.556 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1ccc(C)cc1 ZINC000224465852 568581970 /nfs/dbraw/zinc/58/19/70/568581970.db2.gz OFPAOEOIIIJWCY-UHFFFAOYSA-N 0 0 403.522 6.096 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccc(C)cc1 ZINC000224466212 568582063 /nfs/dbraw/zinc/58/20/63/568582063.db2.gz YFZVCTKOSKOKST-UHFFFAOYSA-N 0 0 403.522 6.348 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc3ccccc32)cc1COc1ccc(C)cc1 ZINC000224466289 568582050 /nfs/dbraw/zinc/58/20/50/568582050.db2.gz MHUJWOVCGVFAMX-UHFFFAOYSA-N 0 0 411.501 6.378 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccc(C)cc1 ZINC000224467043 568582068 /nfs/dbraw/zinc/58/20/68/568582068.db2.gz UJCUHEDMHNQWPO-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccc(C)cc1 ZINC000224467098 568582055 /nfs/dbraw/zinc/58/20/55/568582055.db2.gz UZHSBSMPMXWUKI-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccc(C)cc1 ZINC000224467165 568582096 /nfs/dbraw/zinc/58/20/96/568582096.db2.gz RMQOWLUAPYPTOB-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccc(C)cc1 ZINC000224467235 568582071 /nfs/dbraw/zinc/58/20/71/568582071.db2.gz NNJAJTBNNDTGBA-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccc(C)cc1 ZINC000224467918 568582099 /nfs/dbraw/zinc/58/20/99/568582099.db2.gz JVTBEFTYJQNRIU-UHFFFAOYSA-N 0 0 413.876 6.018 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1ccc(C)cc1 ZINC000224468502 568582061 /nfs/dbraw/zinc/58/20/61/568582061.db2.gz NCCBTBABQSILGT-UHFFFAOYSA-N 0 0 405.494 5.624 40 0 HKABRN CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3ccc(C)cc3)c2)cc1 ZINC000224468578 568582102 /nfs/dbraw/zinc/58/21/02/568582102.db2.gz NGKRJDCEPQXAIX-UHFFFAOYSA-N 0 0 405.494 5.624 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1COc1ccc(C)cc1 ZINC000224468805 568582058 /nfs/dbraw/zinc/58/20/58/568582058.db2.gz TUKVCWJSHZOQSD-UHFFFAOYSA-N 0 0 421.493 5.242 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1COc1ccc(C)cc1 ZINC000224468883 568582043 /nfs/dbraw/zinc/58/20/43/568582043.db2.gz COPSZYTWYUQSEF-UHFFFAOYSA-N 0 0 421.493 5.242 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccc(C)cc1 ZINC000224468955 568582042 /nfs/dbraw/zinc/58/20/42/568582042.db2.gz FLZHFTZQULRVNU-UHFFFAOYSA-N 0 0 421.493 5.242 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccc(C)cc1 ZINC000224469171 568582091 /nfs/dbraw/zinc/58/20/91/568582091.db2.gz QSXRQWMSZNALHH-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccc(C)cc1 ZINC000224469393 568582098 /nfs/dbraw/zinc/58/20/98/568582098.db2.gz CIEILUSEDDBGEW-UHFFFAOYSA-N 0 0 407.535 5.947 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1COc1ccc(C)cc1 ZINC000224469460 568582062 /nfs/dbraw/zinc/58/20/62/568582062.db2.gz PONUEDTXLSBDFA-UHFFFAOYSA-N 0 0 419.477 5.012 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1COc1ccc(C)cc1 ZINC000224469521 568582056 /nfs/dbraw/zinc/58/20/56/568582056.db2.gz QXNBDEBBMYWFRG-UHFFFAOYSA-N 0 0 419.477 5.012 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccc(C)cc1 ZINC000224469814 568582059 /nfs/dbraw/zinc/58/20/59/568582059.db2.gz PCATZFHIGJUJSD-UHFFFAOYSA-N 0 0 403.478 5.428 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccc(C)cc1 ZINC000224469972 568582060 /nfs/dbraw/zinc/58/20/60/568582060.db2.gz SRTBCDCDRBAZPN-UHFFFAOYSA-N 0 0 418.493 5.183 40 0 HKABRN CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc(C)cc1 ZINC000224471657 568582104 /nfs/dbraw/zinc/58/21/04/568582104.db2.gz PIAGKOIBDBIINI-UHFFFAOYSA-N 0 0 401.506 5.171 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(OCC)c(COc3ccc(C)cc3)c2)cc1 ZINC000224472209 568582053 /nfs/dbraw/zinc/58/20/53/568582053.db2.gz QCZQFGFFYTZQIM-UHFFFAOYSA-N 0 0 417.549 6.568 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccc(C)cc1 ZINC000224472274 568582083 /nfs/dbraw/zinc/58/20/83/568582083.db2.gz KMZIGBNXHNSOJN-UHFFFAOYSA-N 0 0 407.535 5.947 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc(C)cc1 ZINC000224472473 568582081 /nfs/dbraw/zinc/58/20/81/568582081.db2.gz HDMJWLXXZMSFHW-UHFFFAOYSA-N 0 0 403.522 6.150 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COc1ccc(C)cc1 ZINC000224472543 568582064 /nfs/dbraw/zinc/58/20/64/568582064.db2.gz GKDACLDAOZTBEE-UHFFFAOYSA-N 0 0 417.549 6.350 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccc(C)cc1 ZINC000224472821 568582049 /nfs/dbraw/zinc/58/20/49/568582049.db2.gz XBMZZCWJQVHMQR-UHFFFAOYSA-N 0 0 418.493 5.183 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccc(C)cc1 ZINC000224473125 568582199 /nfs/dbraw/zinc/58/21/99/568582199.db2.gz HGTLRLKTSSPBIB-NRFANRHFSA-N 0 0 417.549 5.724 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccc(C)cc1 ZINC000224473155 568582182 /nfs/dbraw/zinc/58/21/82/568582182.db2.gz HGTLRLKTSSPBIB-OAQYLSRUSA-N 0 0 417.549 5.724 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccc(C)cc1 ZINC000224473614 568582172 /nfs/dbraw/zinc/58/21/72/568582172.db2.gz ZGIVGPAOPWZBEV-SFHVURJKSA-N 0 0 423.940 6.117 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccc(C)cc1 ZINC000224473664 568582190 /nfs/dbraw/zinc/58/21/90/568582190.db2.gz ZGIVGPAOPWZBEV-GOSISDBHSA-N 0 0 423.940 6.117 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccc(C)cc1 ZINC000224473891 568582163 /nfs/dbraw/zinc/58/21/63/568582163.db2.gz GZSAPNHXWIKEGV-SFHVURJKSA-N 0 0 407.485 5.603 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccc(C)cc1 ZINC000224473941 568582158 /nfs/dbraw/zinc/58/21/58/568582158.db2.gz GZSAPNHXWIKEGV-GOSISDBHSA-N 0 0 407.485 5.603 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccccc1Cl ZINC000224475046 568582204 /nfs/dbraw/zinc/58/22/04/568582204.db2.gz QCCAJIMZCCNHAL-UHFFFAOYSA-N 0 0 401.934 5.770 40 0 HKABRN CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccccc1Cl ZINC000224475113 568582176 /nfs/dbraw/zinc/58/21/76/568582176.db2.gz ZZWXFSNASYMHSP-UHFFFAOYSA-N 0 0 413.945 5.938 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccccc1Cl ZINC000224475262 568582173 /nfs/dbraw/zinc/58/21/73/568582173.db2.gz WWAONLFYHQFYQL-UHFFFAOYSA-N 0 0 409.913 5.556 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccccc1Cl ZINC000224475624 568582171 /nfs/dbraw/zinc/58/21/71/568582171.db2.gz OEAQLSRSFBMJKK-KRWDZBQOSA-N 0 0 409.913 5.809 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000224475656 568582156 /nfs/dbraw/zinc/58/21/56/568582156.db2.gz UQBVMQKABIMEKB-HXUWFJFHSA-N 0 0 405.991 5.703 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccccc1Cl ZINC000224475667 568582184 /nfs/dbraw/zinc/58/21/84/568582184.db2.gz OEAQLSRSFBMJKK-QGZVFWFLSA-N 0 0 409.913 5.809 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000224475693 568582198 /nfs/dbraw/zinc/58/21/98/568582198.db2.gz UQBVMQKABIMEKB-FQEVSTJZSA-N 0 0 405.991 5.703 40 0 HKABRN CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccccc1Cl ZINC000224475718 568582188 /nfs/dbraw/zinc/58/21/88/568582188.db2.gz ZYMKGEVRAJSLDM-UHFFFAOYSA-N 0 0 409.913 5.290 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccccc1Cl ZINC000224476282 568582192 /nfs/dbraw/zinc/58/21/92/568582192.db2.gz ASUOYQBFQHSYEH-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccccc1Cl ZINC000224476353 568582157 /nfs/dbraw/zinc/58/21/57/568582157.db2.gz FWVYTNNTBRNQQB-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccccc1Cl ZINC000224476420 568582193 /nfs/dbraw/zinc/58/21/93/568582193.db2.gz WLDPBKDXPMERPZ-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccccc1Cl ZINC000224476488 568582155 /nfs/dbraw/zinc/58/21/55/568582155.db2.gz QDUKJZJXTYHMID-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1ccccc1Cl ZINC000224476558 568582159 /nfs/dbraw/zinc/58/21/59/568582159.db2.gz ZMXHXKXNQMBTIL-UHFFFAOYSA-N 0 0 423.940 6.441 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccccc1Cl ZINC000224476622 568582179 /nfs/dbraw/zinc/58/21/79/568582179.db2.gz SQEVDXUVHZMSNO-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccccc1Cl ZINC000224476693 568582185 /nfs/dbraw/zinc/58/21/85/568582185.db2.gz BDKDDOKPTHVSEL-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1ccccc1Cl ZINC000224476767 568582161 /nfs/dbraw/zinc/58/21/61/568582161.db2.gz YOJCWQLLPYWGEB-UHFFFAOYSA-N 0 0 409.913 6.132 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1ccccc1Cl ZINC000224476829 568582169 /nfs/dbraw/zinc/58/21/69/568582169.db2.gz LQWVBLSONKGRHZ-UHFFFAOYSA-N 0 0 409.913 6.132 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccccc1Cl ZINC000224476897 568582167 /nfs/dbraw/zinc/58/21/67/568582167.db2.gz NHMABNPTGXXFTE-UHFFFAOYSA-N 0 0 423.940 6.693 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccccc1Cl ZINC000224477246 568582191 /nfs/dbraw/zinc/58/21/91/568582191.db2.gz CUQPBYNWMHTEGF-UHFFFAOYSA-N 0 0 416.304 6.223 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccccc1Cl ZINC000224477324 568582178 /nfs/dbraw/zinc/58/21/78/568582178.db2.gz VCKNYWIDBYFREO-UHFFFAOYSA-N 0 0 416.304 6.223 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccccc1Cl ZINC000224477395 568582164 /nfs/dbraw/zinc/58/21/64/568582164.db2.gz MUNREVDZEWLXMW-UHFFFAOYSA-N 0 0 416.304 6.223 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)CSCc2ccccc2Cl)c2ccccc2O1 ZINC000224478221 568582314 /nfs/dbraw/zinc/58/23/14/568582314.db2.gz YSRIADNFBPUYMX-LJQANCHMSA-N 0 0 403.975 5.772 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)CSCc2ccccc2Cl)c2ccccc2O1 ZINC000224478277 568582250 /nfs/dbraw/zinc/58/22/50/568582250.db2.gz YSRIADNFBPUYMX-IBGZPJMESA-N 0 0 403.975 5.772 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccccc1Cl ZINC000224478491 568582323 /nfs/dbraw/zinc/58/23/23/568582323.db2.gz SRYCZASDASUHIQ-UHFFFAOYSA-N 0 0 417.839 5.848 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccccc1Cl ZINC000224478559 568582312 /nfs/dbraw/zinc/58/23/12/568582312.db2.gz KGOKQHHHBNZGJH-UHFFFAOYSA-N 0 0 417.839 5.848 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccccc1Cl ZINC000224479159 568582322 /nfs/dbraw/zinc/58/23/22/568582322.db2.gz VHTCCBHSCBGTLD-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1ccccc1Cl ZINC000224479229 568582274 /nfs/dbraw/zinc/58/22/74/568582274.db2.gz AKXMMPJNEATHNA-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1ccccc1Cl ZINC000224479299 568582320 /nfs/dbraw/zinc/58/23/20/568582320.db2.gz XMCFDDMEQDFGMP-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN COc1ccc(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)cc1C ZINC000224479957 568582288 /nfs/dbraw/zinc/58/22/88/568582288.db2.gz TYAYIJJRZUHHOB-UHFFFAOYSA-N 0 0 411.885 5.639 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1c1ccc(Cl)cc1 ZINC000224480187 568582276 /nfs/dbraw/zinc/58/22/76/568582276.db2.gz HVJUWGGGGULFBU-FCHUYYIVSA-N 0 0 422.985 5.829 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1c1ccc(Cl)cc1 ZINC000224480233 568582311 /nfs/dbraw/zinc/58/23/11/568582311.db2.gz HVJUWGGGGULFBU-FGZHOGPDSA-N 0 0 422.985 5.829 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1c1ccc(Cl)cc1 ZINC000224480256 568582325 /nfs/dbraw/zinc/58/23/25/568582325.db2.gz HVJUWGGGGULFBU-VXKWHMMOSA-N 0 0 422.985 5.829 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1c1ccc(Cl)cc1 ZINC000224480301 568582303 /nfs/dbraw/zinc/58/23/03/568582303.db2.gz HVJUWGGGGULFBU-YADHBBJMSA-N 0 0 422.985 5.829 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccccc1Cl ZINC000224480679 568582254 /nfs/dbraw/zinc/58/22/54/568582254.db2.gz ZHWNBZXPGFFQEE-UHFFFAOYSA-N 0 0 423.896 5.773 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(SCC(C)C)s1 ZINC000224480797 568582321 /nfs/dbraw/zinc/58/23/21/568582321.db2.gz RMXOPEIGKYTUBD-MRXNPFEDSA-N 0 0 407.605 5.380 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(SCC(C)C)s1 ZINC000224480834 568582310 /nfs/dbraw/zinc/58/23/10/568582310.db2.gz RMXOPEIGKYTUBD-INIZCTEOSA-N 0 0 407.605 5.380 40 0 HKABRN CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccccc1Cl ZINC000224480958 568582316 /nfs/dbraw/zinc/58/23/16/568582316.db2.gz BVYKPLZMCXDBNA-UHFFFAOYSA-N 0 0 409.913 5.590 40 0 HKABRN O=S(=O)(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Oc2ccccc2)cc1 ZINC000224481264 568582387 /nfs/dbraw/zinc/58/23/87/568582387.db2.gz NUGYBFQPXHHLJE-UHFFFAOYSA-N 0 0 415.470 6.179 40 0 HKABRN O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000224481623 568582390 /nfs/dbraw/zinc/58/23/90/568582390.db2.gz ULMRIZLAJVJQEH-UHFFFAOYSA-N 0 0 416.502 5.266 40 0 HKABRN O=S(=O)(Nc1ccc2c3c(cccc31)CC2)c1ccc(Oc2ccccc2)cc1 ZINC000224481984 568582360 /nfs/dbraw/zinc/58/23/60/568582360.db2.gz VEEPOZXZYOFGHU-UHFFFAOYSA-N 0 0 401.487 5.532 40 0 HKABRN CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccccc1Cl ZINC000224482201 568582345 /nfs/dbraw/zinc/58/23/45/568582345.db2.gz VPGPSKHXVFAOMG-UHFFFAOYSA-N 0 0 421.924 5.516 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccccc1Cl ZINC000224482997 568582382 /nfs/dbraw/zinc/58/23/82/568582382.db2.gz KDTQYWLOFUSEIQ-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccs2)N1c1ccc(Br)cc1 ZINC000224483635 568582407 /nfs/dbraw/zinc/58/24/07/568582407.db2.gz BYNRODNPBYUQBM-DLBZAZTESA-N 0 0 416.369 5.083 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccs2)N1c1ccc(Br)cc1 ZINC000224483676 568582429 /nfs/dbraw/zinc/58/24/29/568582429.db2.gz BYNRODNPBYUQBM-IAGOWNOFSA-N 0 0 416.369 5.083 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccs2)N1c1ccc(Br)cc1 ZINC000224483709 568582414 /nfs/dbraw/zinc/58/24/14/568582414.db2.gz BYNRODNPBYUQBM-IRXDYDNUSA-N 0 0 416.369 5.083 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1c1ccc(Br)cc1 ZINC000224483751 568582366 /nfs/dbraw/zinc/58/23/66/568582366.db2.gz BYNRODNPBYUQBM-SJORKVTESA-N 0 0 416.369 5.083 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccccc1Cl ZINC000224483938 568582384 /nfs/dbraw/zinc/58/23/84/568582384.db2.gz ITFYRKYJELKGKS-UHFFFAOYSA-N 0 0 415.961 6.160 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccccc1Cl ZINC000224484561 568582454 /nfs/dbraw/zinc/58/24/54/568582454.db2.gz WWBHNUMGRGIBJS-UHFFFAOYSA-N 0 0 413.876 5.387 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCCC2)cc1COc1cccc(Cl)c1 ZINC000224485770 568582485 /nfs/dbraw/zinc/58/24/85/568582485.db2.gz KVFPVMOICRGGDN-UHFFFAOYSA-N 0 0 401.934 5.770 40 0 HKABRN CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1cccc(Cl)c1 ZINC000224485837 568582498 /nfs/dbraw/zinc/58/24/98/568582498.db2.gz PXBJKLGANOEUKO-UHFFFAOYSA-N 0 0 413.945 5.938 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1cccc(Cl)c1 ZINC000224485960 568582522 /nfs/dbraw/zinc/58/25/22/568582522.db2.gz YVWOCOFPXYNVKX-UHFFFAOYSA-N 0 0 409.913 5.556 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1cccc(Cl)c1 ZINC000224486286 568582472 /nfs/dbraw/zinc/58/24/72/568582472.db2.gz NITFKYLNMHNPFO-KRWDZBQOSA-N 0 0 409.913 5.809 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1cccc(Cl)c1 ZINC000224486336 568582453 /nfs/dbraw/zinc/58/24/53/568582453.db2.gz NITFKYLNMHNPFO-QGZVFWFLSA-N 0 0 409.913 5.809 40 0 HKABRN CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1cccc(Cl)c1 ZINC000224486411 568582463 /nfs/dbraw/zinc/58/24/63/568582463.db2.gz DLEGVPVBVRTACH-UHFFFAOYSA-N 0 0 409.913 5.290 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC000224486777 568582556 /nfs/dbraw/zinc/58/25/56/568582556.db2.gz VSHKZCDPVMGVNP-AWEZNQCLSA-N 0 0 415.946 5.696 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC000224486820 568582557 /nfs/dbraw/zinc/58/25/57/568582557.db2.gz VSHKZCDPVMGVNP-CQSZACIVSA-N 0 0 415.946 5.696 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1cccc(Cl)c1 ZINC000224487081 568582563 /nfs/dbraw/zinc/58/25/63/568582563.db2.gz IRIQBKHMGZIAMP-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1cccc(Cl)c1 ZINC000224487149 568582636 /nfs/dbraw/zinc/58/26/36/568582636.db2.gz HRISMKDOXCWCHY-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)cc1C ZINC000224487153 568582592 /nfs/dbraw/zinc/58/25/92/568582592.db2.gz YXQZQBUEPLSIKP-UHFFFAOYSA-N 0 0 413.564 5.405 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1cccc(Cl)c1 ZINC000224487214 568582579 /nfs/dbraw/zinc/58/25/79/568582579.db2.gz VMJIZPMWJFADIA-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1cccc(Cl)c1 ZINC000224487283 568582595 /nfs/dbraw/zinc/58/25/95/568582595.db2.gz DJQKVYALOXDSQJ-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1cccc(Cl)c1 ZINC000224487352 568582565 /nfs/dbraw/zinc/58/25/65/568582565.db2.gz XGLPWMUDSVALSF-UHFFFAOYSA-N 0 0 423.940 6.441 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1cccc(Cl)c1 ZINC000224487419 568582555 /nfs/dbraw/zinc/58/25/55/568582555.db2.gz ILAINNIMWXKYQK-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1cccc(Cl)c1 ZINC000224487487 568582566 /nfs/dbraw/zinc/58/25/66/568582566.db2.gz JUZOOCXURVFHBQ-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1cccc(Cl)c1 ZINC000224487553 568582607 /nfs/dbraw/zinc/58/26/07/568582607.db2.gz WXTUPBAHAASYOD-UHFFFAOYSA-N 0 0 409.913 6.132 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1cccc(Cl)c1 ZINC000224487618 568582609 /nfs/dbraw/zinc/58/26/09/568582609.db2.gz BMBBIZHOJLBTEO-UHFFFAOYSA-N 0 0 409.913 6.132 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1cccc(Cl)c1 ZINC000224487689 568582573 /nfs/dbraw/zinc/58/25/73/568582573.db2.gz KTHNUHRAKYRDSZ-UHFFFAOYSA-N 0 0 423.940 6.693 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1cccc(Cl)c1 ZINC000224488037 568582622 /nfs/dbraw/zinc/58/26/22/568582622.db2.gz SYJHVDBEVMRPIT-UHFFFAOYSA-N 0 0 416.304 6.223 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1cccc(Cl)c1 ZINC000224488109 568582564 /nfs/dbraw/zinc/58/25/64/568582564.db2.gz CEKOUNPBIHFPGD-UHFFFAOYSA-N 0 0 416.304 6.223 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1cccc(Cl)c1 ZINC000224488199 568582581 /nfs/dbraw/zinc/58/25/81/568582581.db2.gz CRFUETCINRDJKI-UHFFFAOYSA-N 0 0 416.304 6.223 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1cccc(Cl)c1 ZINC000224489250 568582670 /nfs/dbraw/zinc/58/26/70/568582670.db2.gz ARXOKFUUGHVAEP-UHFFFAOYSA-N 0 0 417.839 5.848 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1cccc(Cl)c1 ZINC000224489323 568582697 /nfs/dbraw/zinc/58/26/97/568582697.db2.gz AAORJVDXIJELCM-UHFFFAOYSA-N 0 0 417.839 5.848 40 0 HKABRN CCc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000224489754 568582690 /nfs/dbraw/zinc/58/26/90/568582690.db2.gz ARWWUMRPUAPWDM-MRXNPFEDSA-N 0 0 419.396 5.645 40 0 HKABRN CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000224489795 568582713 /nfs/dbraw/zinc/58/27/13/568582713.db2.gz ARWWUMRPUAPWDM-INIZCTEOSA-N 0 0 419.396 5.645 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1cccc(Cl)c1 ZINC000224489885 568582687 /nfs/dbraw/zinc/58/26/87/568582687.db2.gz CTMWJSOJKYKBPU-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1cccc(Cl)c1 ZINC000224489952 568582683 /nfs/dbraw/zinc/58/26/83/568582683.db2.gz TYDUEULPPKJDJD-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1cccc(Cl)c1 ZINC000224490021 568582700 /nfs/dbraw/zinc/58/27/00/568582700.db2.gz TYMOLVSJXOCOCY-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1cccc(Cl)c1 ZINC000224491213 568582694 /nfs/dbraw/zinc/58/26/94/568582694.db2.gz RUYKFWKKISDBKV-UHFFFAOYSA-N 0 0 423.896 5.773 40 0 HKABRN CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1cccc(Cl)c1 ZINC000224491496 568582672 /nfs/dbraw/zinc/58/26/72/568582672.db2.gz IVDNEOFVQSVGBH-UHFFFAOYSA-N 0 0 409.913 5.590 40 0 HKABRN CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1cccc(Cl)c1 ZINC000224492991 568582675 /nfs/dbraw/zinc/58/26/75/568582675.db2.gz ULYGCKXXECBZLV-UHFFFAOYSA-N 0 0 421.924 5.516 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1cccc(Cl)c1 ZINC000224493850 568582678 /nfs/dbraw/zinc/58/26/78/568582678.db2.gz COURRLANUIHDGT-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1cccc(Cl)c1 ZINC000224494752 568582797 /nfs/dbraw/zinc/58/27/97/568582797.db2.gz FPFYSIOYQLUHQO-UHFFFAOYSA-N 0 0 415.961 6.160 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1cccc(Cl)c1 ZINC000224495409 568582868 /nfs/dbraw/zinc/58/28/68/568582868.db2.gz IYLSNUUZHFVZMQ-UHFFFAOYSA-N 0 0 413.876 5.387 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccc(Cl)cc1 ZINC000224496560 568582805 /nfs/dbraw/zinc/58/28/05/568582805.db2.gz NBQBQHHMSTUQGP-UHFFFAOYSA-N 0 0 401.934 5.770 40 0 HKABRN CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccc(Cl)cc1 ZINC000224496631 568582846 /nfs/dbraw/zinc/58/28/46/568582846.db2.gz TXRAVCOUXAEFDQ-UHFFFAOYSA-N 0 0 413.945 5.938 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccc(Cl)cc1 ZINC000224496746 568582861 /nfs/dbraw/zinc/58/28/61/568582861.db2.gz PYEOPPWMVQHKJR-UHFFFAOYSA-N 0 0 409.913 5.556 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccc(Cl)cc1 ZINC000224497095 568582800 /nfs/dbraw/zinc/58/28/00/568582800.db2.gz MQCOZSGWBYFCAP-KRWDZBQOSA-N 0 0 409.913 5.809 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccc(Cl)cc1 ZINC000224497142 568582864 /nfs/dbraw/zinc/58/28/64/568582864.db2.gz MQCOZSGWBYFCAP-QGZVFWFLSA-N 0 0 409.913 5.809 40 0 HKABRN CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc(Cl)cc1 ZINC000224497217 568582835 /nfs/dbraw/zinc/58/28/35/568582835.db2.gz JQONQOFESJCFBH-UHFFFAOYSA-N 0 0 409.913 5.290 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccc(Cl)cc1 ZINC000224497858 568582829 /nfs/dbraw/zinc/58/28/29/568582829.db2.gz YLNFWYAUSINCAH-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccc(Cl)cc1 ZINC000224497925 568582843 /nfs/dbraw/zinc/58/28/43/568582843.db2.gz SWHMQJCGWNONDV-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccc(Cl)cc1 ZINC000224497994 568582804 /nfs/dbraw/zinc/58/28/04/568582804.db2.gz BCBFDMLTAZXKLP-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccc(Cl)cc1 ZINC000224498067 568582821 /nfs/dbraw/zinc/58/28/21/568582821.db2.gz YNEYVYWRGBCVPU-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1ccc(Cl)cc1 ZINC000224498134 568582823 /nfs/dbraw/zinc/58/28/23/568582823.db2.gz ZGVSEBIKIWWDJT-UHFFFAOYSA-N 0 0 423.940 6.441 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccc(Cl)cc1 ZINC000224498202 568582817 /nfs/dbraw/zinc/58/28/17/568582817.db2.gz KQWSODFVOZZYBX-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccc(Cl)cc1 ZINC000224498274 568582859 /nfs/dbraw/zinc/58/28/59/568582859.db2.gz DWMHMUKKGMZAAN-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1ccc(Cl)cc1 ZINC000224498344 568582869 /nfs/dbraw/zinc/58/28/69/568582869.db2.gz JZWVJVOCYRVDKR-UHFFFAOYSA-N 0 0 409.913 6.132 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1ccc(Cl)cc1 ZINC000224498408 568582807 /nfs/dbraw/zinc/58/28/07/568582807.db2.gz JSJFUVQKXYPXJX-UHFFFAOYSA-N 0 0 409.913 6.132 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccc(Cl)cc1 ZINC000224498485 568582849 /nfs/dbraw/zinc/58/28/49/568582849.db2.gz JBWQZXLHDPIGEJ-UHFFFAOYSA-N 0 0 423.940 6.693 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccc(Cl)cc1 ZINC000224498821 568582842 /nfs/dbraw/zinc/58/28/42/568582842.db2.gz KEAALFVDLFQQGT-UHFFFAOYSA-N 0 0 416.304 6.223 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccc(Cl)cc1 ZINC000224498890 568582811 /nfs/dbraw/zinc/58/28/11/568582811.db2.gz FJYDBTGOZFPPLQ-UHFFFAOYSA-N 0 0 416.304 6.223 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccc(Cl)cc1 ZINC000224498958 568582799 /nfs/dbraw/zinc/58/27/99/568582799.db2.gz STGJOHLJEXPDEE-UHFFFAOYSA-N 0 0 416.304 6.223 40 0 HKABRN COc1ccc2cc(S(=O)(=O)N[C@@H](c3ccccc3)c3cccc(C)c3)ccc2c1 ZINC000224499456 568582969 /nfs/dbraw/zinc/58/29/69/568582969.db2.gz CJKPOMAATXCMEB-VWLOTQADSA-N 0 0 417.530 5.225 40 0 HKABRN COc1ccc2cc(S(=O)(=O)N[C@H](c3ccccc3)c3cccc(C)c3)ccc2c1 ZINC000224499505 568582927 /nfs/dbraw/zinc/58/29/27/568582927.db2.gz CJKPOMAATXCMEB-RUZDIDTESA-N 0 0 417.530 5.225 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccc(Cl)cc1 ZINC000224499965 568582937 /nfs/dbraw/zinc/58/29/37/568582937.db2.gz XOYHWXGHFONZIK-UHFFFAOYSA-N 0 0 417.839 5.848 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccc(Cl)cc1 ZINC000224500038 568582933 /nfs/dbraw/zinc/58/29/33/568582933.db2.gz WPYQEESACFQNGA-UHFFFAOYSA-N 0 0 417.839 5.848 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccc(Cl)cc1 ZINC000224500595 568582930 /nfs/dbraw/zinc/58/29/30/568582930.db2.gz LCSKOHVTDBXQIN-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1ccc(Cl)cc1 ZINC000224500660 568582940 /nfs/dbraw/zinc/58/29/40/568582940.db2.gz KQRYLLZULXRLFK-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1ccc(Cl)cc1 ZINC000224500731 568582952 /nfs/dbraw/zinc/58/29/52/568582952.db2.gz JMTNDIWAKFPKKN-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCc1cccc(CC)c1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C ZINC000224501041 568582946 /nfs/dbraw/zinc/58/29/46/568582946.db2.gz PPMKDZDRJCMEEV-JWGURIENSA-N 0 0 418.562 5.591 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccc(Cl)cc1 ZINC000224502093 568582928 /nfs/dbraw/zinc/58/29/28/568582928.db2.gz MXROJFSWFORIHY-UHFFFAOYSA-N 0 0 423.896 5.773 40 0 HKABRN CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccc(Cl)cc1 ZINC000224502378 568582950 /nfs/dbraw/zinc/58/29/50/568582950.db2.gz JBXQIJOTWBNPHZ-UHFFFAOYSA-N 0 0 409.913 5.590 40 0 HKABRN CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc(Cl)cc1 ZINC000224503854 568582932 /nfs/dbraw/zinc/58/29/32/568582932.db2.gz QZVTWCPQWMPZTR-UHFFFAOYSA-N 0 0 421.924 5.516 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc(Cl)cc1 ZINC000224504640 568583040 /nfs/dbraw/zinc/58/30/40/568583040.db2.gz HPLKFACFBRKCRK-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccc(Cl)cc1 ZINC000224505577 568583070 /nfs/dbraw/zinc/58/30/70/568583070.db2.gz RMKCODHBEYUVKG-UHFFFAOYSA-N 0 0 415.961 6.160 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccc(Cl)cc1 ZINC000224506225 568583043 /nfs/dbraw/zinc/58/30/43/568583043.db2.gz OYWFPBCRXLHOCO-UHFFFAOYSA-N 0 0 413.876 5.387 40 0 HKABRN CC(C)(Cc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000224506822 568583075 /nfs/dbraw/zinc/58/30/75/568583075.db2.gz UPPSECIDTLZMSA-UHFFFAOYSA-N 0 0 419.396 5.343 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCC2)cc1COc1ccccc1C(C)(C)C ZINC000224507388 568583033 /nfs/dbraw/zinc/58/30/33/568583033.db2.gz KSJMGSIYLHDFFT-UHFFFAOYSA-N 0 0 409.570 6.024 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccccc1C(C)(C)C ZINC000224507433 568583073 /nfs/dbraw/zinc/58/30/73/568583073.db2.gz PZTYZNRXZHXFOU-UHFFFAOYSA-N 0 0 423.597 6.414 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccccc2)cc1COc1ccccc1C(C)(C)C ZINC000224507560 568583027 /nfs/dbraw/zinc/58/30/27/568583027.db2.gz ZATZAAPBIRRBAS-UHFFFAOYSA-N 0 0 417.549 5.892 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccco2)cc1COc1ccccc1C(C)(C)C ZINC000224508297 568583048 /nfs/dbraw/zinc/58/30/48/568583048.db2.gz SKTVHWVIVOMITQ-UHFFFAOYSA-N 0 0 407.510 5.485 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2)cc1COc1ccccc1C(C)(C)C ZINC000224508485 568583056 /nfs/dbraw/zinc/58/30/56/568583056.db2.gz NIGFGUAHJFTFFQ-UHFFFAOYSA-N 0 0 403.522 6.214 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2C)cc1COc1ccccc1C(C)(C)C ZINC000224508555 568583061 /nfs/dbraw/zinc/58/30/61/568583061.db2.gz MMEXAAVIKBYDAX-UHFFFAOYSA-N 0 0 417.549 6.523 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccccc1C(C)(C)C ZINC000224508629 568583062 /nfs/dbraw/zinc/58/30/62/568583062.db2.gz JFTFABPIALRSGY-UHFFFAOYSA-N 0 0 417.549 6.523 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccccc1C(C)(C)C ZINC000224508691 568583060 /nfs/dbraw/zinc/58/30/60/568583060.db2.gz FJFVAMPYOJZRSS-UHFFFAOYSA-N 0 0 417.549 6.523 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccccc1C(C)(C)C ZINC000224509541 568583041 /nfs/dbraw/zinc/58/30/41/568583041.db2.gz GHYHQYAVGLNHKG-UHFFFAOYSA-N 0 0 421.512 6.353 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccccc1C(C)(C)C ZINC000224509602 568583034 /nfs/dbraw/zinc/58/30/34/568583034.db2.gz IONUTBSUONIFRT-UHFFFAOYSA-N 0 0 421.512 6.353 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccccc1C(C)(C)C ZINC000224509677 568583049 /nfs/dbraw/zinc/58/30/49/568583049.db2.gz NLZFGAVHATZHDG-UHFFFAOYSA-N 0 0 421.512 6.353 40 0 HKABRN CC(C)Sc1nnc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)s1 ZINC000224513269 568583171 /nfs/dbraw/zinc/58/31/71/568583171.db2.gz LDVAWUVGVDMMGL-UHFFFAOYSA-N 0 0 419.959 5.523 40 0 HKABRN CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccccc1C(C)(C)C ZINC000224513674 568583194 /nfs/dbraw/zinc/58/31/94/568583194.db2.gz QGJXQRSRYSUCEO-UHFFFAOYSA-N 0 0 409.570 5.834 40 0 HKABRN CCOc1ccc(C(=O)N2CCCCCC2)cc1COc1ccccc1C(C)(C)C ZINC000224513921 568583208 /nfs/dbraw/zinc/58/32/08/568583208.db2.gz BEQMPPCJDDYEKV-UHFFFAOYSA-N 0 0 409.570 5.978 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1)c1ccc(C)cc1C ZINC000224514365 568583278 /nfs/dbraw/zinc/58/32/78/568583278.db2.gz MRMDDENBJDFUDO-KDYMBEQYSA-N 0 0 416.521 5.243 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1)c1ccc(C)cc1C ZINC000224514411 568583264 /nfs/dbraw/zinc/58/32/64/568583264.db2.gz MRMDDENBJDFUDO-VNLJKWRZSA-N 0 0 416.521 5.243 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCC2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224518370 568583495 /nfs/dbraw/zinc/58/34/95/568583495.db2.gz WGJBAYFYDGQPKE-UHFFFAOYSA-N 0 0 409.570 6.024 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224518417 568583491 /nfs/dbraw/zinc/58/34/91/568583491.db2.gz QEPLLMZLXURYQL-UHFFFAOYSA-N 0 0 423.597 6.414 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224518556 568583505 /nfs/dbraw/zinc/58/35/05/568583505.db2.gz NDXKHLHXIWCJPI-UHFFFAOYSA-N 0 0 417.549 5.892 40 0 HKABRN CCc1cccc(CC)c1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 ZINC000224519246 568583497 /nfs/dbraw/zinc/58/34/97/568583497.db2.gz FIBIENGCJNZUHI-JWGURIENSA-N 0 0 418.562 5.591 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccco2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224519322 568583477 /nfs/dbraw/zinc/58/34/77/568583477.db2.gz VCZCWHQEVYPVDY-UHFFFAOYSA-N 0 0 407.510 5.485 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224519506 568583487 /nfs/dbraw/zinc/58/34/87/568583487.db2.gz WKAPOJFJIFPLDB-UHFFFAOYSA-N 0 0 403.522 6.214 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2C)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224519569 568583493 /nfs/dbraw/zinc/58/34/93/568583493.db2.gz RZNORQGHJOZPKQ-UHFFFAOYSA-N 0 0 417.549 6.523 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224519636 568583461 /nfs/dbraw/zinc/58/34/61/568583461.db2.gz MGMWOGOWTROINM-UHFFFAOYSA-N 0 0 417.549 6.523 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224519706 568583514 /nfs/dbraw/zinc/58/35/14/568583514.db2.gz PNTBNZWTCMIOBD-UHFFFAOYSA-N 0 0 417.549 6.523 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224520553 568583463 /nfs/dbraw/zinc/58/34/63/568583463.db2.gz NXYZYQUPWUDLOW-UHFFFAOYSA-N 0 0 421.512 6.353 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224520619 568583506 /nfs/dbraw/zinc/58/35/06/568583506.db2.gz ZXALRFMBOWFZMU-UHFFFAOYSA-N 0 0 421.512 6.353 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224520693 568583499 /nfs/dbraw/zinc/58/34/99/568583499.db2.gz SOEUGKUFXRPPPW-UHFFFAOYSA-N 0 0 421.512 6.353 40 0 HKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccccc1 ZINC000224522876 568583474 /nfs/dbraw/zinc/58/34/74/568583474.db2.gz OBRLMWXIMCMLKL-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1)c1ccccc1 ZINC000224523263 568583466 /nfs/dbraw/zinc/58/34/66/568583466.db2.gz FJMYFMUQUOAYRK-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1 ZINC000224523418 568583645 /nfs/dbraw/zinc/58/36/45/568583645.db2.gz ILGQTICFWRHRPN-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1Cl ZINC000224523715 568583616 /nfs/dbraw/zinc/58/36/16/568583616.db2.gz FQBFEZFDFGLWGM-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000224523920 568583622 /nfs/dbraw/zinc/58/36/22/568583622.db2.gz DZENVMPNSPKVTR-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)c1 ZINC000224523980 568583574 /nfs/dbraw/zinc/58/35/74/568583574.db2.gz WMFVEWWSEZEHAH-GOTSBHOMSA-N 0 0 418.566 5.021 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000224523994 568583561 /nfs/dbraw/zinc/58/35/61/568583561.db2.gz QLYYLVRLJBFZHV-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)c1 ZINC000224524034 568583602 /nfs/dbraw/zinc/58/36/02/568583602.db2.gz WMFVEWWSEZEHAH-PKTZIBPZSA-N 0 0 418.566 5.021 40 0 HKABRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)c1 ZINC000224524081 568583644 /nfs/dbraw/zinc/58/36/44/568583644.db2.gz WMFVEWWSEZEHAH-XZOQPEGZSA-N 0 0 418.566 5.021 40 0 HKABRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)c1 ZINC000224524134 568583647 /nfs/dbraw/zinc/58/36/47/568583647.db2.gz WMFVEWWSEZEHAH-DHIUTWEWSA-N 0 0 418.566 5.021 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000224524248 568583618 /nfs/dbraw/zinc/58/36/18/568583618.db2.gz SLOVDDAXDPXHKU-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C)cc2)cc1 ZINC000224524436 568583620 /nfs/dbraw/zinc/58/36/20/568583620.db2.gz ANVARYFRHQJIFB-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224524639 568583566 /nfs/dbraw/zinc/58/35/66/568583566.db2.gz UMYGDINEOBTYNE-UHFFFAOYSA-N 0 0 409.570 5.834 40 0 HKABRN CCOc1ccc(C(=O)N2CCCCCC2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224524889 568583636 /nfs/dbraw/zinc/58/36/36/568583636.db2.gz WGACUDHWQUTFOG-UHFFFAOYSA-N 0 0 409.570 5.978 40 0 HKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccccc1Cl ZINC000224525048 568583568 /nfs/dbraw/zinc/58/35/68/568583568.db2.gz MSKTZZXNOZDEOB-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc(Cl)cc1 ZINC000224525414 568583627 /nfs/dbraw/zinc/58/36/27/568583627.db2.gz RULYLIOJILJEBI-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc(Cl)cc1 ZINC000224525532 568583632 /nfs/dbraw/zinc/58/36/32/568583632.db2.gz JSTWMJDLTVLVNT-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1cccc(Cl)c1 ZINC000224525870 568583648 /nfs/dbraw/zinc/58/36/48/568583648.db2.gz FZTZWLLSGCJJCW-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cccc(Cl)c1 ZINC000224526018 568583583 /nfs/dbraw/zinc/58/35/83/568583583.db2.gz QRSGEZTZSXZPAY-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)c1 ZINC000224526911 568583587 /nfs/dbraw/zinc/58/35/87/568583587.db2.gz ANQMBCSMJXSHQO-GOTSBHOMSA-N 0 0 418.566 5.184 40 0 HKABRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)c1 ZINC000224526953 568583630 /nfs/dbraw/zinc/58/36/30/568583630.db2.gz ANQMBCSMJXSHQO-PKTZIBPZSA-N 0 0 418.566 5.184 40 0 HKABRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)c1 ZINC000224527007 568583640 /nfs/dbraw/zinc/58/36/40/568583640.db2.gz ANQMBCSMJXSHQO-XZOQPEGZSA-N 0 0 418.566 5.184 40 0 HKABRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)c1 ZINC000224527051 568583637 /nfs/dbraw/zinc/58/36/37/568583637.db2.gz ANQMBCSMJXSHQO-DHIUTWEWSA-N 0 0 418.566 5.184 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(Br)cc1F ZINC000224527080 568583629 /nfs/dbraw/zinc/58/36/29/568583629.db2.gz OOOJXDWPYIGCCS-UHFFFAOYSA-N 0 0 406.679 5.253 40 0 HKABRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)c1 ZINC000224528195 568583785 /nfs/dbraw/zinc/58/37/85/568583785.db2.gz JHJDXELVXVNGRC-GOTSBHOMSA-N 0 0 420.582 5.267 40 0 HKABRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)c1 ZINC000224528239 568583765 /nfs/dbraw/zinc/58/37/65/568583765.db2.gz JHJDXELVXVNGRC-PKTZIBPZSA-N 0 0 420.582 5.267 40 0 HKABRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)c1 ZINC000224528290 568583763 /nfs/dbraw/zinc/58/37/63/568583763.db2.gz JHJDXELVXVNGRC-XZOQPEGZSA-N 0 0 420.582 5.267 40 0 HKABRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)c1 ZINC000224528339 568583776 /nfs/dbraw/zinc/58/37/76/568583776.db2.gz JHJDXELVXVNGRC-DHIUTWEWSA-N 0 0 420.582 5.267 40 0 HKABRN CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1cc(C)cc(C)c1 ZINC000224529490 568583778 /nfs/dbraw/zinc/58/37/78/568583778.db2.gz XKJYXNHLVAZZLM-UHFFFAOYSA-N 0 0 407.554 5.901 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1cc(C)cc(C)c1 ZINC000224529628 568583790 /nfs/dbraw/zinc/58/37/90/568583790.db2.gz PTSCWYCXECLGDI-UHFFFAOYSA-N 0 0 403.522 5.520 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1cc(C)cc(C)c1 ZINC000224529694 568583775 /nfs/dbraw/zinc/58/37/75/568583775.db2.gz AAFOZTBUHMTHII-UHFFFAOYSA-N 0 0 423.940 5.865 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1 ZINC000224529766 568583726 /nfs/dbraw/zinc/58/37/26/568583726.db2.gz VYJQIXPOPFVZSP-UHFFFAOYSA-N 0 0 423.940 5.865 40 0 HKABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000224529806 568583739 /nfs/dbraw/zinc/58/37/39/568583739.db2.gz JVARUHZJYKRUHX-UHFFFAOYSA-N 0 0 415.902 5.093 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1cc(C)cc(C)c1 ZINC000224529903 568583743 /nfs/dbraw/zinc/58/37/43/568583743.db2.gz CBGZUTBAFTZIJZ-UHFFFAOYSA-N 0 0 419.521 5.220 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1cc(C)cc(C)c1 ZINC000224529974 568583715 /nfs/dbraw/zinc/58/37/15/568583715.db2.gz OUHZOHWXSCNGDZ-FQEVSTJZSA-N 0 0 403.522 5.772 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1cc(C)cc(C)c1 ZINC000224530023 568583728 /nfs/dbraw/zinc/58/37/28/568583728.db2.gz OUHZOHWXSCNGDZ-HXUWFJFHSA-N 0 0 403.522 5.772 40 0 HKABRN CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1cc(C)cc(C)c1 ZINC000224530088 568583721 /nfs/dbraw/zinc/58/37/21/568583721.db2.gz VFMQVOGNOOJITO-UHFFFAOYSA-N 0 0 403.522 5.254 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1Cl ZINC000224530280 568583730 /nfs/dbraw/zinc/58/37/30/568583730.db2.gz SZZNPLHUXSEEIO-UHFFFAOYSA-N 0 0 415.902 5.093 40 0 HKABRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000224530480 568583767 /nfs/dbraw/zinc/58/37/67/568583767.db2.gz ZOOQRSOYDHMQSL-UHFFFAOYSA-N 0 0 415.902 5.093 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1cc(C)cc(C)c1 ZINC000224530742 568583725 /nfs/dbraw/zinc/58/37/25/568583725.db2.gz DIWPOTXBWIMRSK-UHFFFAOYSA-N 0 0 403.522 6.150 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1cc(C)cc(C)c1 ZINC000224530813 568583741 /nfs/dbraw/zinc/58/37/41/568583741.db2.gz GBHHUTLVHRHGNR-UHFFFAOYSA-N 0 0 403.522 6.150 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1cc(C)cc(C)c1 ZINC000224530876 568583735 /nfs/dbraw/zinc/58/37/35/568583735.db2.gz WACBDFNBDSZCDS-UHFFFAOYSA-N 0 0 403.522 6.150 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1cc(C)cc(C)c1 ZINC000224530944 568583835 /nfs/dbraw/zinc/58/38/35/568583835.db2.gz ARRXCDYYRPWZBY-UHFFFAOYSA-N 0 0 403.522 6.150 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1cc(C)cc(C)c1 ZINC000224531006 568583828 /nfs/dbraw/zinc/58/38/28/568583828.db2.gz OFTWWZFHEKGWGP-UHFFFAOYSA-N 0 0 417.549 6.404 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1cc(C)cc(C)c1 ZINC000224531074 568583843 /nfs/dbraw/zinc/58/38/43/568583843.db2.gz ODEOGJUDHCPVFO-UHFFFAOYSA-N 0 0 403.522 6.150 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1cc(C)cc(C)c1 ZINC000224531142 568583840 /nfs/dbraw/zinc/58/38/40/568583840.db2.gz XBTIOWKSYSPFPA-UHFFFAOYSA-N 0 0 403.522 6.150 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1cc(C)cc(C)c1 ZINC000224531211 568583849 /nfs/dbraw/zinc/58/38/49/568583849.db2.gz PTJNYIPHVYGZTM-UHFFFAOYSA-N 0 0 403.522 6.096 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1cc(C)cc(C)c1 ZINC000224531280 568583863 /nfs/dbraw/zinc/58/38/63/568583863.db2.gz GPIYUYHPXDKAPJ-UHFFFAOYSA-N 0 0 403.522 6.096 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1cc(C)cc(C)c1 ZINC000224531361 568583864 /nfs/dbraw/zinc/58/38/64/568583864.db2.gz SGMSXKQFYMXKQO-UHFFFAOYSA-N 0 0 417.549 6.657 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1cc(C)cc(C)c1 ZINC000224531714 568583879 /nfs/dbraw/zinc/58/38/79/568583879.db2.gz WQEHLGWHMSDQTI-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1cc(C)cc(C)c1 ZINC000224531781 568583873 /nfs/dbraw/zinc/58/38/73/568583873.db2.gz QRSTXBMGXODXRO-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1 ZINC000224531853 568583833 /nfs/dbraw/zinc/58/38/33/568583833.db2.gz TWRDKJPHQYOROW-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1cc(C)cc(C)c1 ZINC000224532213 568583838 /nfs/dbraw/zinc/58/38/38/568583838.db2.gz IMZWYLUIXHKSKV-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1cc(C)cc(C)c1 ZINC000224532289 568583832 /nfs/dbraw/zinc/58/38/32/568583832.db2.gz SDULRLXEGTYMDU-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1cc(C)cc(C)c1 ZINC000224532359 568583845 /nfs/dbraw/zinc/58/38/45/568583845.db2.gz JLSQOIQWCHRBQB-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1cc(C)cc(C)c1 ZINC000224532423 568583898 /nfs/dbraw/zinc/58/38/98/568583898.db2.gz YXGSTUJZICVTQT-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1cc(C)cc(C)c1 ZINC000224532897 568583872 /nfs/dbraw/zinc/58/38/72/568583872.db2.gz XYNXQJNHEPBSBB-UHFFFAOYSA-N 0 0 411.448 5.812 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1cc(C)cc(C)c1 ZINC000224532973 568583883 /nfs/dbraw/zinc/58/38/83/568583883.db2.gz BIQXNGYULPTVRC-UHFFFAOYSA-N 0 0 411.448 5.812 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1cc(C)cc(C)c1 ZINC000224533518 568583880 /nfs/dbraw/zinc/58/38/80/568583880.db2.gz ALJJGYLTDLHSNB-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1cc(C)cc(C)c1 ZINC000224533590 568583893 /nfs/dbraw/zinc/58/38/93/568583893.db2.gz FOYFSYIHOQGJHK-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1cc(C)cc(C)c1 ZINC000224533654 568583844 /nfs/dbraw/zinc/58/38/44/568583844.db2.gz XBTGBIXICMECGJ-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1cc(C)cc(C)c1 ZINC000224533724 568584043 /nfs/dbraw/zinc/58/40/43/568584043.db2.gz SQQATMQYTJMDTC-UHFFFAOYSA-N 0 0 419.521 5.932 40 0 HKABRN CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3cc(C)cc(C)c3)c2)cc1 ZINC000224533797 568583998 /nfs/dbraw/zinc/58/39/98/568583998.db2.gz JVTKFPNJVQWRBR-UHFFFAOYSA-N 0 0 419.521 5.932 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1cc(C)cc(C)c1 ZINC000224534222 568584024 /nfs/dbraw/zinc/58/40/24/568584024.db2.gz WTAVLFYSBUTKKZ-UHFFFAOYSA-N 0 0 419.477 5.262 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1cc(C)cc(C)c1 ZINC000224534371 568583989 /nfs/dbraw/zinc/58/39/89/568583989.db2.gz ISEJYMNOLPWWGP-UHFFFAOYSA-N 0 0 419.521 5.850 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1cc(C)cc(C)c1 ZINC000224534588 568583990 /nfs/dbraw/zinc/58/39/90/568583990.db2.gz IMPPDMLPYKQLKW-UHFFFAOYSA-N 0 0 421.562 6.255 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1cc(C)cc(C)c1 ZINC000224535005 568583982 /nfs/dbraw/zinc/58/39/82/568583982.db2.gz KMLRXQRFDOOQKF-UHFFFAOYSA-N 0 0 417.505 5.736 40 0 HKABRN CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1cc(C)cc(C)c1 ZINC000224535270 568583967 /nfs/dbraw/zinc/58/39/67/568583967.db2.gz MJRSKLPMKXUUJX-UHFFFAOYSA-N 0 0 403.522 5.553 40 0 HKABRN CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1cc(C)cc(C)c1 ZINC000224536776 568583965 /nfs/dbraw/zinc/58/39/65/568583965.db2.gz AVMMPDHXIQAOQK-UHFFFAOYSA-N 0 0 415.533 5.480 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1cc(C)cc(C)c1 ZINC000224536914 568584036 /nfs/dbraw/zinc/58/40/36/568584036.db2.gz WHQADFKTTWEKOS-UHFFFAOYSA-N 0 0 419.521 5.220 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1cc(C)cc(C)c1 ZINC000224537373 568584123 /nfs/dbraw/zinc/58/41/23/568584123.db2.gz OMEOTPUZBAKTFF-UHFFFAOYSA-N 0 0 421.562 6.255 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1cc(C)cc(C)c1 ZINC000224537591 568584147 /nfs/dbraw/zinc/58/41/47/568584147.db2.gz QIHLMYKUXCXLKJ-UHFFFAOYSA-N 0 0 417.549 6.459 40 0 HKABRN C[C@@H](CNC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000224538462 568584166 /nfs/dbraw/zinc/58/41/66/568584166.db2.gz MEKHUAPNBLOZDM-INIZCTEOSA-N 0 0 405.369 5.125 40 0 HKABRN Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C)cc2)c1 ZINC000224538493 568584110 /nfs/dbraw/zinc/58/41/10/568584110.db2.gz FVUDHWKMCBKFNP-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1cc(C)cc(C)c1 ZINC000224538503 568584188 /nfs/dbraw/zinc/58/41/88/568584188.db2.gz OURAICIWFXUXOO-UHFFFAOYSA-N 0 0 409.570 6.124 40 0 HKABRN C[C@H](CNC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000224538507 568584120 /nfs/dbraw/zinc/58/41/20/568584120.db2.gz MEKHUAPNBLOZDM-MRXNPFEDSA-N 0 0 405.369 5.125 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1cc(C)cc(C)c1 ZINC000224539169 568584124 /nfs/dbraw/zinc/58/41/24/568584124.db2.gz WBVXTPVAXSFLIL-UHFFFAOYSA-N 0 0 407.485 5.350 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1cc(C)cc(C)c1 ZINC000224539238 568584137 /nfs/dbraw/zinc/58/41/37/568584137.db2.gz XJVGOMQNLMXBDY-IBGZPJMESA-N 0 0 421.512 5.911 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1cc(C)cc(C)c1 ZINC000224539291 568584122 /nfs/dbraw/zinc/58/41/22/568584122.db2.gz XJVGOMQNLMXBDY-LJQANCHMSA-N 0 0 421.512 5.911 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCC2)cc1COc1ccc(Cl)c(C)c1 ZINC000224540269 568584159 /nfs/dbraw/zinc/58/41/59/568584159.db2.gz LSFBYCPLHTZFKL-UHFFFAOYSA-N 0 0 401.934 5.689 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccc(Cl)c(C)c1 ZINC000224540322 568584271 /nfs/dbraw/zinc/58/42/71/568584271.db2.gz XDSUIJBRQSUNNM-UHFFFAOYSA-N 0 0 415.961 6.079 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccccc2)cc1COc1ccc(Cl)c(C)c1 ZINC000224540462 568584236 /nfs/dbraw/zinc/58/42/36/568584236.db2.gz HIXVRXNFEVOOAS-UHFFFAOYSA-N 0 0 409.913 5.556 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccc(Cl)c(C)c1 ZINC000224540541 568584289 /nfs/dbraw/zinc/58/42/89/568584289.db2.gz PLHOUFJQNDISJA-UHFFFAOYSA-N 0 0 423.940 5.865 40 0 HKABRN C[C@@H](CNC(=O)C1CCN(Cc2cccc(Cl)c2Cl)CC1)c1ccccc1 ZINC000224540870 568584272 /nfs/dbraw/zinc/58/42/72/568584272.db2.gz JUECYLQGAOMZID-INIZCTEOSA-N 0 0 405.369 5.125 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccc(Cl)c(C)c1 ZINC000224540881 568584264 /nfs/dbraw/zinc/58/42/64/568584264.db2.gz JMKOAVPAOQCNBQ-SFHVURJKSA-N 0 0 423.940 6.117 40 0 HKABRN C[C@H](CNC(=O)C1CCN(Cc2cccc(Cl)c2Cl)CC1)c1ccccc1 ZINC000224540911 568584281 /nfs/dbraw/zinc/58/42/81/568584281.db2.gz JUECYLQGAOMZID-MRXNPFEDSA-N 0 0 405.369 5.125 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccc(Cl)c(C)c1 ZINC000224540928 568584240 /nfs/dbraw/zinc/58/42/40/568584240.db2.gz JMKOAVPAOQCNBQ-GOSISDBHSA-N 0 0 423.940 6.117 40 0 HKABRN CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc(Cl)c(C)c1 ZINC000224540995 568584268 /nfs/dbraw/zinc/58/42/68/568584268.db2.gz ZFTOGKILBRDTJT-UHFFFAOYSA-N 0 0 423.940 5.599 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2C)cc1COc1ccc(Cl)c(C)c1 ZINC000224541448 568584252 /nfs/dbraw/zinc/58/42/52/568584252.db2.gz GBMFQVZYSPZFCX-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccc(Cl)c(C)c1 ZINC000224541510 568584277 /nfs/dbraw/zinc/58/42/77/568584277.db2.gz DYAFENRQLOCMND-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccc(Cl)c(C)c1 ZINC000224541598 568584247 /nfs/dbraw/zinc/58/42/47/568584247.db2.gz JNEAAQHWMPSXES-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccc(Cl)c(C)c1 ZINC000224541671 568584287 /nfs/dbraw/zinc/58/42/87/568584287.db2.gz DDGIOLMOBSEXAS-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccc(Cl)c(C)c1 ZINC000224541748 568584241 /nfs/dbraw/zinc/58/42/41/568584241.db2.gz JFUMYEDILSPQAS-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccc(Cl)c(C)c1 ZINC000224541823 568584253 /nfs/dbraw/zinc/58/42/53/568584253.db2.gz PGZFWCDKHDPWGK-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccc(Cl)c(C)c1 ZINC000224541894 568584283 /nfs/dbraw/zinc/58/42/83/568584283.db2.gz PQQGXGZJGOAYFG-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN COc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000224541917 568584386 /nfs/dbraw/zinc/58/43/86/568584386.db2.gz RGPNQUOZLWQRCH-UHFFFAOYSA-N 0 0 418.276 6.055 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccc(Cl)c(C)c1 ZINC000224542028 568584446 /nfs/dbraw/zinc/58/44/46/568584446.db2.gz PXUWYRWNJPOLRH-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccc(Cl)c(C)c1 ZINC000224542091 568584426 /nfs/dbraw/zinc/58/44/26/568584426.db2.gz HLIHKLRFKXDUTR-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1ccc(Cl)c(C)c1 ZINC000224542166 568584411 /nfs/dbraw/zinc/58/44/11/568584411.db2.gz JRVBKQYUGLJXEJ-UHFFFAOYSA-N 0 0 423.940 6.441 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1ccc(Cl)c(C)c1 ZINC000224542232 568584412 /nfs/dbraw/zinc/58/44/12/568584412.db2.gz UZKHNPOAVZJXFA-UHFFFAOYSA-N 0 0 423.940 6.441 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccc(Cl)c(C)c1 ZINC000224542446 568584427 /nfs/dbraw/zinc/58/44/27/568584427.db2.gz APMKNOHRMXJERE-UHFFFAOYSA-N 0 0 413.876 6.018 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccc(Cl)c(C)c1 ZINC000224542515 568584366 /nfs/dbraw/zinc/58/43/66/568584366.db2.gz AIOVVOIGJZTZQP-UHFFFAOYSA-N 0 0 413.876 6.018 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccc(Cl)c(C)c1 ZINC000224542585 568584370 /nfs/dbraw/zinc/58/43/70/568584370.db2.gz KKNKQVWGIASQPR-UHFFFAOYSA-N 0 0 413.876 6.018 40 0 HKABRN C[C@@H](CNC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 ZINC000224542879 568584407 /nfs/dbraw/zinc/58/44/07/568584407.db2.gz IEXZGCYDDNOYMK-INIZCTEOSA-N 0 0 405.369 5.125 40 0 HKABRN C[C@H](CNC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 ZINC000224542930 568584377 /nfs/dbraw/zinc/58/43/77/568584377.db2.gz IEXZGCYDDNOYMK-MRXNPFEDSA-N 0 0 405.369 5.125 40 0 HKABRN C[C@@H](CNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000224544896 568584441 /nfs/dbraw/zinc/58/44/41/568584441.db2.gz TUFLLVCPIPBHKD-INIZCTEOSA-N 0 0 405.369 5.125 40 0 HKABRN C[C@H](CNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000224544950 568584364 /nfs/dbraw/zinc/58/43/64/568584364.db2.gz TUFLLVCPIPBHKD-MRXNPFEDSA-N 0 0 405.369 5.125 40 0 HKABRN CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccc(Cl)c(C)c1 ZINC000224546188 568584545 /nfs/dbraw/zinc/58/45/45/568584545.db2.gz MSPSYBRKMJSQNY-UHFFFAOYSA-N 0 0 423.940 5.898 40 0 HKABRN CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccc(Cl)c(C)c1 ZINC000224546483 568584602 /nfs/dbraw/zinc/58/46/02/568584602.db2.gz XHFVTMIQFWJYDS-UHFFFAOYSA-N 0 0 401.934 5.498 40 0 HKABRN CCOc1ccc(C(=O)N2CCCCCC2)cc1COc1ccc(Cl)c(C)c1 ZINC000224546738 568584554 /nfs/dbraw/zinc/58/45/54/568584554.db2.gz SZNVCPMFNFQMAE-UHFFFAOYSA-N 0 0 401.934 5.642 40 0 HKABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000224548297 568584539 /nfs/dbraw/zinc/58/45/39/568584539.db2.gz LOLIEAHUUKWCMB-VWLOTQADSA-N 0 0 422.613 5.322 40 0 HKABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000224548345 568584547 /nfs/dbraw/zinc/58/45/47/568584547.db2.gz LOLIEAHUUKWCMB-RUZDIDTESA-N 0 0 422.613 5.322 40 0 HKABRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)c1 ZINC000224549709 568584689 /nfs/dbraw/zinc/58/46/89/568584689.db2.gz IFPLEDXPMWFTDT-GOTSBHOMSA-N 0 0 418.566 5.184 40 0 HKABRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)c1 ZINC000224549755 568584791 /nfs/dbraw/zinc/58/47/91/568584791.db2.gz IFPLEDXPMWFTDT-PKTZIBPZSA-N 0 0 418.566 5.184 40 0 HKABRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)c1 ZINC000224549799 568584705 /nfs/dbraw/zinc/58/47/05/568584705.db2.gz IFPLEDXPMWFTDT-XZOQPEGZSA-N 0 0 418.566 5.184 40 0 HKABRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)c1 ZINC000224549843 568584723 /nfs/dbraw/zinc/58/47/23/568584723.db2.gz IFPLEDXPMWFTDT-DHIUTWEWSA-N 0 0 418.566 5.184 40 0 HKABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000224550211 568584761 /nfs/dbraw/zinc/58/47/61/568584761.db2.gz MMBFDDAEDFOZOI-HBVBNRCBSA-N 0 0 416.521 5.263 40 0 HKABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000224550260 568584771 /nfs/dbraw/zinc/58/47/71/568584771.db2.gz MMBFDDAEDFOZOI-QHKNXTSZSA-N 0 0 416.521 5.263 40 0 HKABRN O=C(Nc1ccc2c3c(cccc31)CC2)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000224550437 568584802 /nfs/dbraw/zinc/58/48/02/568584802.db2.gz BPBKVNXWFBJDOJ-UHFFFAOYSA-N 0 0 422.931 5.582 40 0 HKABRN CCCCNC(=O)c1ccc(OCC)c(COc2ccc(-c3ccccc3)cc2)c1 ZINC000224550763 568584702 /nfs/dbraw/zinc/58/47/02/568584702.db2.gz MCSNAVQIBFTSRA-UHFFFAOYSA-N 0 0 403.522 5.861 40 0 HKABRN CCOc1ccc(C(=O)NCC(C)C)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224550831 568584682 /nfs/dbraw/zinc/58/46/82/568584682.db2.gz OKLSHNGMGGUPCK-UHFFFAOYSA-N 0 0 403.522 5.717 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)CC)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224550901 568584782 /nfs/dbraw/zinc/58/47/82/568584782.db2.gz PADDRSVOHQJRMR-IBGZPJMESA-N 0 0 403.522 5.860 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)CC)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224550944 568584821 /nfs/dbraw/zinc/58/48/21/568584821.db2.gz PADDRSVOHQJRMR-LJQANCHMSA-N 0 0 403.522 5.860 40 0 HKABRN CCOc1ccc(C(=O)NC(C)(C)C)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224551018 568584740 /nfs/dbraw/zinc/58/47/40/568584740.db2.gz OWGPBYXVBYEEKI-UHFFFAOYSA-N 0 0 403.522 5.860 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCC2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224551224 568584748 /nfs/dbraw/zinc/58/47/48/568584748.db2.gz HPDAOBJKPFXXFT-UHFFFAOYSA-N 0 0 415.533 6.004 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224552725 568584896 /nfs/dbraw/zinc/58/48/96/568584896.db2.gz RINOHGBEZARUQG-UHFFFAOYSA-N 0 0 423.512 6.584 40 0 HKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)C1CCCCC1 ZINC000224556079 568585019 /nfs/dbraw/zinc/58/50/19/568585019.db2.gz JVKTYDCDZSAHDE-UHFFFAOYSA-N 0 0 408.523 5.159 40 0 HKABRN O=C(CCCN1c2cccc3cccc(c23)C1=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000224556929 568585029 /nfs/dbraw/zinc/58/50/29/568585029.db2.gz DMGNKXYLWMWTFS-UHFFFAOYSA-N 0 0 420.468 6.118 40 0 HKABRN O=C(CCCN1c2cccc3cccc(c23)C1=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000224557350 568585206 /nfs/dbraw/zinc/58/52/06/568585206.db2.gz ZTALGCCUSJNDQP-UHFFFAOYSA-N 0 0 421.500 5.205 40 0 HKABRN CCOc1ccc(C(=O)N(CC)CC)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224557372 568585230 /nfs/dbraw/zinc/58/52/30/568585230.db2.gz DZXCOVLSGOLDQT-UHFFFAOYSA-N 0 0 403.522 5.813 40 0 HKABRN CCOc1ccc(C(=O)N2CCCC2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224557588 568585214 /nfs/dbraw/zinc/58/52/14/568585214.db2.gz VTNXPQBOPBNIKC-UHFFFAOYSA-N 0 0 401.506 5.567 40 0 HKABRN CCOc1ccc(C(=O)N2CCCCC2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224557667 568585211 /nfs/dbraw/zinc/58/52/11/568585211.db2.gz RTQBURWLUOXJEG-UHFFFAOYSA-N 0 0 415.533 5.957 40 0 HKABRN O=C(CCCN1c2cccc3cccc(c23)C1=O)Nc1ccc2c3c(cccc31)CC2 ZINC000224557785 568585182 /nfs/dbraw/zinc/58/51/82/568585182.db2.gz MKTKAEJGBGQKTI-UHFFFAOYSA-N 0 0 406.485 5.471 40 0 HKABRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CC2)c1C ZINC000224559174 568585115 /nfs/dbraw/zinc/58/51/15/568585115.db2.gz GTLXBVRJSWPICG-GOTSBHOMSA-N 0 0 418.566 5.021 40 0 HKABRN CCCCCNC(=O)c1ccc(OCC)c(COc2ccc(-c3ccccc3)cc2)c1 ZINC000224559189 568585112 /nfs/dbraw/zinc/58/51/12/568585112.db2.gz VOEGBMZMNCGBHL-UHFFFAOYSA-N 0 0 417.549 6.251 40 0 HKABRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CC2)c1C ZINC000224559227 568585208 /nfs/dbraw/zinc/58/52/08/568585208.db2.gz GTLXBVRJSWPICG-PKTZIBPZSA-N 0 0 418.566 5.021 40 0 HKABRN CCOc1ccc(C(=O)NCCC(C)C)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224559262 568585193 /nfs/dbraw/zinc/58/51/93/568585193.db2.gz IVYSLPXVNPVWKG-UHFFFAOYSA-N 0 0 417.549 6.107 40 0 HKABRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CC2)c1C ZINC000224559274 568585195 /nfs/dbraw/zinc/58/51/95/568585195.db2.gz GTLXBVRJSWPICG-XZOQPEGZSA-N 0 0 418.566 5.021 40 0 HKABRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C2CC2)c1C ZINC000224559313 568585183 /nfs/dbraw/zinc/58/51/83/568585183.db2.gz GTLXBVRJSWPICG-DHIUTWEWSA-N 0 0 418.566 5.021 40 0 HKABRN CCC[C@@H](C)NC(=O)c1ccc(OCC)c(COc2ccc(-c3ccccc3)cc2)c1 ZINC000224559335 568585170 /nfs/dbraw/zinc/58/51/70/568585170.db2.gz FFDNSOPAYWIXHB-HXUWFJFHSA-N 0 0 417.549 6.250 40 0 HKABRN CCC[C@H](C)NC(=O)c1ccc(OCC)c(COc2ccc(-c3ccccc3)cc2)c1 ZINC000224559384 568585185 /nfs/dbraw/zinc/58/51/85/568585185.db2.gz FFDNSOPAYWIXHB-FQEVSTJZSA-N 0 0 417.549 6.250 40 0 HKABRN CCCCc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1 ZINC000224560033 568585220 /nfs/dbraw/zinc/58/52/20/568585220.db2.gz PNMBTBCDLFPMJU-QJOMJCCJSA-N 0 0 402.494 5.340 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000224560360 568585216 /nfs/dbraw/zinc/58/52/16/568585216.db2.gz YADMMEQWJBAAJD-DHIUTWEWSA-N 0 0 407.554 5.450 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000224560405 568585191 /nfs/dbraw/zinc/58/51/91/568585191.db2.gz YADMMEQWJBAAJD-PKTZIBPZSA-N 0 0 407.554 5.450 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000224560455 568585128 /nfs/dbraw/zinc/58/51/28/568585128.db2.gz YADMMEQWJBAAJD-XZOQPEGZSA-N 0 0 407.554 5.450 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000224560503 568585210 /nfs/dbraw/zinc/58/52/10/568585210.db2.gz YADMMEQWJBAAJD-GOTSBHOMSA-N 0 0 407.554 5.450 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)COC)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224560877 568585107 /nfs/dbraw/zinc/58/51/07/568585107.db2.gz KPYKSXYVKPVPCO-IBGZPJMESA-N 0 0 419.521 5.096 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)COC)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224560923 568585155 /nfs/dbraw/zinc/58/51/55/568585155.db2.gz KPYKSXYVKPVPCO-LJQANCHMSA-N 0 0 419.521 5.096 40 0 HKABRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 ZINC000224562166 568585389 /nfs/dbraw/zinc/58/53/89/568585389.db2.gz RYMOTQMSHSHKAE-GOTSBHOMSA-N 0 0 418.566 5.184 40 0 HKABRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 ZINC000224562222 568585296 /nfs/dbraw/zinc/58/52/96/568585296.db2.gz RYMOTQMSHSHKAE-PKTZIBPZSA-N 0 0 418.566 5.184 40 0 HKABRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000224562270 568585371 /nfs/dbraw/zinc/58/53/71/568585371.db2.gz RYMOTQMSHSHKAE-XZOQPEGZSA-N 0 0 418.566 5.184 40 0 HKABRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000224562318 568585336 /nfs/dbraw/zinc/58/53/36/568585336.db2.gz RYMOTQMSHSHKAE-DHIUTWEWSA-N 0 0 418.566 5.184 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccccc1C(C)C ZINC000224562667 568585323 /nfs/dbraw/zinc/58/53/23/568585323.db2.gz JOCXVHOFHNZJMQ-UHFFFAOYSA-N 0 0 409.570 6.240 40 0 HKABRN CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccccc1C(C)C ZINC000224562743 568585359 /nfs/dbraw/zinc/58/53/59/568585359.db2.gz IRIFTBZJPIIZOF-UHFFFAOYSA-N 0 0 421.581 6.408 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccccc2)cc1COc1ccccc1C(C)C ZINC000224562804 568585291 /nfs/dbraw/zinc/58/52/91/568585291.db2.gz IDBIQSBFLXLEQE-UHFFFAOYSA-N 0 0 403.522 5.718 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccccc1C(C)C ZINC000224562878 568585374 /nfs/dbraw/zinc/58/53/74/568585374.db2.gz MQRHCMGIMMKAIN-UHFFFAOYSA-N 0 0 417.549 6.026 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccccc1C(C)C ZINC000224563228 568585342 /nfs/dbraw/zinc/58/53/42/568585342.db2.gz QYDFBMRGJMZAOL-FQEVSTJZSA-N 0 0 417.549 6.279 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccccc1C(C)C ZINC000224563276 568585343 /nfs/dbraw/zinc/58/53/43/568585343.db2.gz QYDFBMRGJMZAOL-HXUWFJFHSA-N 0 0 417.549 6.279 40 0 HKABRN CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccccc1C(C)C ZINC000224563344 568585328 /nfs/dbraw/zinc/58/53/28/568585328.db2.gz GJVHCETXCTUXIK-UHFFFAOYSA-N 0 0 417.549 5.760 40 0 HKABRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C(C)C)c1C ZINC000224563463 568585275 /nfs/dbraw/zinc/58/52/75/568585275.db2.gz ZWUJMLJRNSLHHF-GOTSBHOMSA-N 0 0 420.582 5.267 40 0 HKABRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C(C)C)c1C ZINC000224563506 568585308 /nfs/dbraw/zinc/58/53/08/568585308.db2.gz ZWUJMLJRNSLHHF-PKTZIBPZSA-N 0 0 420.582 5.267 40 0 HKABRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C(C)C)c1C ZINC000224563559 568585322 /nfs/dbraw/zinc/58/53/22/568585322.db2.gz ZWUJMLJRNSLHHF-XZOQPEGZSA-N 0 0 420.582 5.267 40 0 HKABRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C(C)C)c1C ZINC000224563604 568585355 /nfs/dbraw/zinc/58/53/55/568585355.db2.gz ZWUJMLJRNSLHHF-DHIUTWEWSA-N 0 0 420.582 5.267 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2C)cc1COc1ccccc1C(C)C ZINC000224563836 568585276 /nfs/dbraw/zinc/58/52/76/568585276.db2.gz TUFPQUTULOVIKO-UHFFFAOYSA-N 0 0 403.522 6.348 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccccc1C(C)C ZINC000224563901 568585380 /nfs/dbraw/zinc/58/53/80/568585380.db2.gz ASMGPVDDEDXRLW-UHFFFAOYSA-N 0 0 403.522 6.348 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccccc1C(C)C ZINC000224563970 568585330 /nfs/dbraw/zinc/58/53/30/568585330.db2.gz OAPYLYIRJCWFMM-UHFFFAOYSA-N 0 0 403.522 6.348 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccccc1C(C)C ZINC000224564045 568585340 /nfs/dbraw/zinc/58/53/40/568585340.db2.gz DIBQYFMAIGULIS-UHFFFAOYSA-N 0 0 417.549 6.657 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccccc1C(C)C ZINC000224564117 568585288 /nfs/dbraw/zinc/58/52/88/568585288.db2.gz OHCPLSVUDAAYOP-UHFFFAOYSA-N 0 0 417.549 6.657 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccccc1C(C)C ZINC000224564185 568585269 /nfs/dbraw/zinc/58/52/69/568585269.db2.gz YKXNKVLTZFTFHN-UHFFFAOYSA-N 0 0 417.549 6.657 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccccc1C(C)C ZINC000224564249 568585345 /nfs/dbraw/zinc/58/53/45/568585345.db2.gz SSSWLWMLRCUJQH-UHFFFAOYSA-N 0 0 417.549 6.657 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccccc1C(C)C ZINC000224564402 568585353 /nfs/dbraw/zinc/58/53/53/568585353.db2.gz TULZIXVKLCPXGT-UHFFFAOYSA-N 0 0 417.549 6.657 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccccc1C(C)C ZINC000224564478 568585594 /nfs/dbraw/zinc/58/55/94/568585594.db2.gz VTHCAOXSVXDGQU-UHFFFAOYSA-N 0 0 417.549 6.657 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1ccccc1C(C)C ZINC000224564537 568585535 /nfs/dbraw/zinc/58/55/35/568585535.db2.gz AGUQSYPABVVQCV-UHFFFAOYSA-N 0 0 417.549 6.602 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1ccccc1C(C)C ZINC000224564606 568585577 /nfs/dbraw/zinc/58/55/77/568585577.db2.gz XORBROYKADXZKV-UHFFFAOYSA-N 0 0 417.549 6.602 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccccc1C(C)C ZINC000224564826 568585511 /nfs/dbraw/zinc/58/55/11/568585511.db2.gz QSYCGWVQVRZHPI-UHFFFAOYSA-N 0 0 407.485 6.179 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccccc1C(C)C ZINC000224564889 568585574 /nfs/dbraw/zinc/58/55/74/568585574.db2.gz ZMFCOCFPOXTCEW-UHFFFAOYSA-N 0 0 407.485 6.179 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccccc1C(C)C ZINC000224564955 568585591 /nfs/dbraw/zinc/58/55/91/568585591.db2.gz YHMXHISLNZNWOY-UHFFFAOYSA-N 0 0 407.485 6.179 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccccc1C(C)C ZINC000224565021 568585509 /nfs/dbraw/zinc/58/55/09/568585509.db2.gz WDMNQCYSCYKDNX-UHFFFAOYSA-N 0 0 423.940 6.693 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccccc1C(C)C ZINC000224565096 568585505 /nfs/dbraw/zinc/58/55/05/568585505.db2.gz WAHVFOSDUWGLSS-UHFFFAOYSA-N 0 0 423.940 6.693 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccccc1C(C)C ZINC000224565166 568585606 /nfs/dbraw/zinc/58/56/06/568585606.db2.gz WCOAINOYXOLZDT-UHFFFAOYSA-N 0 0 423.940 6.693 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccccc1C(C)C ZINC000224566813 568585533 /nfs/dbraw/zinc/58/55/33/568585533.db2.gz CJDDINKIJYEXMG-UHFFFAOYSA-N 0 0 419.521 6.049 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1ccccc1C(C)C ZINC000224566882 568585597 /nfs/dbraw/zinc/58/55/97/568585597.db2.gz UVICSZFBQNDZAP-UHFFFAOYSA-N 0 0 419.521 6.049 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1ccccc1C(C)C ZINC000224566942 568585493 /nfs/dbraw/zinc/58/54/93/568585493.db2.gz DOXGENFFRICXAN-UHFFFAOYSA-N 0 0 419.521 6.049 40 0 HKABRN CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccccc1C(C)C ZINC000224568573 568585580 /nfs/dbraw/zinc/58/55/80/568585580.db2.gz VVCPJWHIUBHXQA-UHFFFAOYSA-N 0 0 417.549 6.060 40 0 HKABRN COc1ccc(-c2nnc(NC(=O)c3cc4c(ccc5ccccc45)o3)s2)cc1 ZINC000224570094 568585790 /nfs/dbraw/zinc/58/57/90/568585790.db2.gz KLADZGWLFDSXOS-UHFFFAOYSA-N 0 0 401.447 5.365 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccccc1C(C)C ZINC000224571800 568585763 /nfs/dbraw/zinc/58/57/63/568585763.db2.gz PSXIJOTYCCPGNG-UHFFFAOYSA-N 0 0 423.597 6.630 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccccc1C(C)C ZINC000224572483 568585796 /nfs/dbraw/zinc/58/57/96/568585796.db2.gz QPBWGZWAMISMGF-UHFFFAOYSA-N 0 0 421.512 5.857 40 0 HKABRN CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccccc1OC ZINC000224573778 568585845 /nfs/dbraw/zinc/58/58/45/568585845.db2.gz PMMGDJYEFGSNMM-UHFFFAOYSA-N 0 0 409.526 5.293 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccccc1OC ZINC000224574256 568585862 /nfs/dbraw/zinc/58/58/62/568585862.db2.gz ASVDWLSIVFFTTM-SFHVURJKSA-N 0 0 405.494 5.164 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccccc1OC ZINC000224574303 568585772 /nfs/dbraw/zinc/58/57/72/568585772.db2.gz ASVDWLSIVFFTTM-GOSISDBHSA-N 0 0 405.494 5.164 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccccc1OC ZINC000224575051 568585857 /nfs/dbraw/zinc/58/58/57/568585857.db2.gz HRJIBOMPLWNPNM-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccccc1OC ZINC000224575114 568586047 /nfs/dbraw/zinc/58/60/47/568586047.db2.gz YFLNUOFMEGOICI-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccccc1OC ZINC000224575178 568586051 /nfs/dbraw/zinc/58/60/51/568586051.db2.gz PWUXTKGIHFUPTJ-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccccc1OC ZINC000224575250 568585969 /nfs/dbraw/zinc/58/59/69/568585969.db2.gz PKVYYDLXQFJHMK-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1ccccc1OC ZINC000224575330 568586074 /nfs/dbraw/zinc/58/60/74/568586074.db2.gz DUXWQLYRQYKTLF-UHFFFAOYSA-N 0 0 419.521 5.796 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccccc1OC ZINC000224575401 568586052 /nfs/dbraw/zinc/58/60/52/568586052.db2.gz WTZVOWOLYFCWMN-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccccc1OC ZINC000224575469 568586048 /nfs/dbraw/zinc/58/60/48/568586048.db2.gz PCLTVKSESJTETM-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1ccccc1OC ZINC000224575533 568586071 /nfs/dbraw/zinc/58/60/71/568586071.db2.gz DYYIPBMJBOLTJW-UHFFFAOYSA-N 0 0 405.494 5.488 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1ccccc1OC ZINC000224575598 568586054 /nfs/dbraw/zinc/58/60/54/568586054.db2.gz RSAWFWHGNROUSZ-UHFFFAOYSA-N 0 0 405.494 5.488 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccccc1OC ZINC000224575668 568585952 /nfs/dbraw/zinc/58/59/52/568585952.db2.gz MPPLJJVSFNUVQK-UHFFFAOYSA-N 0 0 419.521 6.049 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccccc1OC ZINC000224576026 568586005 /nfs/dbraw/zinc/58/60/05/568586005.db2.gz XVGOSLPATXHHHC-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccccc1OC ZINC000224576094 568586060 /nfs/dbraw/zinc/58/60/60/568586060.db2.gz VIWGZWKMKTYFEL-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccccc1OC ZINC000224576171 568586049 /nfs/dbraw/zinc/58/60/49/568586049.db2.gz VESNIKOQXIORLU-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccccc1OC ZINC000224577224 568586070 /nfs/dbraw/zinc/58/60/70/568586070.db2.gz UIEKQNUUKJUOPZ-UHFFFAOYSA-N 0 0 413.420 5.203 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccccc1OC ZINC000224577296 568586056 /nfs/dbraw/zinc/58/60/56/568586056.db2.gz NFOFXKJIVYWPTH-UHFFFAOYSA-N 0 0 413.420 5.203 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1ccccc1OC ZINC000224578076 568586072 /nfs/dbraw/zinc/58/60/72/568586072.db2.gz QQTJGQIXWPIOCA-UHFFFAOYSA-N 0 0 421.493 5.324 40 0 HKABRN CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3ccccc3OC)c2)cc1 ZINC000224578152 568586057 /nfs/dbraw/zinc/58/60/57/568586057.db2.gz VBJZTWJLPTZWKM-UHFFFAOYSA-N 0 0 421.493 5.324 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccccc1OC ZINC000224578697 568585961 /nfs/dbraw/zinc/58/59/61/568585961.db2.gz RPFFTECOMFNOMG-UHFFFAOYSA-N 0 0 421.493 5.242 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccccc1OC ZINC000224578904 568586063 /nfs/dbraw/zinc/58/60/63/568586063.db2.gz RIAAOWAKIMWMFA-UHFFFAOYSA-N 0 0 423.534 5.647 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccccc1OC ZINC000224579328 568586067 /nfs/dbraw/zinc/58/60/67/568586067.db2.gz OCQLCSPBUUWEBF-UHFFFAOYSA-N 0 0 419.477 5.128 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccccc1OC ZINC000224581781 568586126 /nfs/dbraw/zinc/58/61/26/568586126.db2.gz VTCDMJYHORYJOP-UHFFFAOYSA-N 0 0 423.534 5.647 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccccc1OC ZINC000224581996 568586257 /nfs/dbraw/zinc/58/62/57/568586257.db2.gz XEZVIJUJHGXNCU-UHFFFAOYSA-N 0 0 419.521 5.850 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccccc1OC ZINC000224583003 568586250 /nfs/dbraw/zinc/58/62/50/568586250.db2.gz DIKIOXDTSINGEU-UHFFFAOYSA-N 0 0 411.542 5.516 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccccc1OC ZINC000224583744 568586169 /nfs/dbraw/zinc/58/61/69/568586169.db2.gz OABVRKAYBZYJJI-KRWDZBQOSA-N 0 0 423.484 5.303 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccccc1OC ZINC000224583791 568586173 /nfs/dbraw/zinc/58/61/73/568586173.db2.gz OABVRKAYBZYJJI-QGZVFWFLSA-N 0 0 423.484 5.303 40 0 HKABRN CCc1ccc(CC)c(CNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 ZINC000224584675 568586317 /nfs/dbraw/zinc/58/63/17/568586317.db2.gz ZBNROHVIUUUBSO-UHFFFAOYSA-N 0 0 407.941 5.974 40 0 HKABRN CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1cccc(OC)c1 ZINC000224584947 568586352 /nfs/dbraw/zinc/58/63/52/568586352.db2.gz XKVUHMYUBNLBAO-UHFFFAOYSA-N 0 0 409.526 5.293 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1cccc(OC)c1 ZINC000224585459 568586397 /nfs/dbraw/zinc/58/63/97/568586397.db2.gz CQBUBOOROAPYCI-SFHVURJKSA-N 0 0 405.494 5.164 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1cccc(OC)c1 ZINC000224585505 568586346 /nfs/dbraw/zinc/58/63/46/568586346.db2.gz CQBUBOOROAPYCI-GOSISDBHSA-N 0 0 405.494 5.164 40 0 HKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2OC(C)C)cc1 ZINC000224585527 568586378 /nfs/dbraw/zinc/58/63/78/568586378.db2.gz XGFRUGHWZWRISZ-QNGOZBTKSA-N 0 0 420.534 5.253 40 0 HKABRN CC[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(OC)c(C)c1 ZINC000224585600 568586409 /nfs/dbraw/zinc/58/64/09/568586409.db2.gz KMEFWNLCNVJXSG-HSZRJFAPSA-N 0 0 423.940 6.117 40 0 HKABRN CC[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(OC)c(C)c1 ZINC000224585649 568586394 /nfs/dbraw/zinc/58/63/94/568586394.db2.gz KMEFWNLCNVJXSG-QHCPKHFHSA-N 0 0 423.940 6.117 40 0 HKABRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 ZINC000224585664 568586359 /nfs/dbraw/zinc/58/63/59/568586359.db2.gz FDBUJRXOEXCFAF-GOTSBHOMSA-N 0 0 418.566 5.184 40 0 HKABRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 ZINC000224585712 568586311 /nfs/dbraw/zinc/58/63/11/568586311.db2.gz FDBUJRXOEXCFAF-PKTZIBPZSA-N 0 0 418.566 5.184 40 0 HKABRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 ZINC000224585763 568586371 /nfs/dbraw/zinc/58/63/71/568586371.db2.gz FDBUJRXOEXCFAF-XZOQPEGZSA-N 0 0 418.566 5.184 40 0 HKABRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 ZINC000224585809 568586406 /nfs/dbraw/zinc/58/64/06/568586406.db2.gz FDBUJRXOEXCFAF-DHIUTWEWSA-N 0 0 418.566 5.184 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1cccc(OC)c1 ZINC000224586231 568586418 /nfs/dbraw/zinc/58/64/18/568586418.db2.gz GQGDTIVYZUOEBJ-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1cccc(OC)c1 ZINC000224586304 568586350 /nfs/dbraw/zinc/58/63/50/568586350.db2.gz RPZMVWPPPBIEAU-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1cccc(OC)c1 ZINC000224586375 568586381 /nfs/dbraw/zinc/58/63/81/568586381.db2.gz XNUNVRPEORYIDR-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1cccc(OC)c1 ZINC000224586442 568586383 /nfs/dbraw/zinc/58/63/83/568586383.db2.gz UVAXGKJCKQJOFL-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)NCC(C)C)cc1 ZINC000224586476 568586374 /nfs/dbraw/zinc/58/63/74/568586374.db2.gz LTPHDNDTYKMMKB-VWLOTQADSA-N 0 0 422.613 5.070 40 0 HKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccccc2C)cc1 ZINC000224586490 568586415 /nfs/dbraw/zinc/58/64/15/568586415.db2.gz ZVZYZEUCZWYOIN-CEZZIEKDSA-N 0 0 404.535 5.013 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1cccc(OC)c1 ZINC000224586511 568586301 /nfs/dbraw/zinc/58/63/01/568586301.db2.gz KDJUBJWFOYHXCI-UHFFFAOYSA-N 0 0 419.521 5.796 40 0 HKABRN CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)NCC(C)C)cc1 ZINC000224586521 568586370 /nfs/dbraw/zinc/58/63/70/568586370.db2.gz LTPHDNDTYKMMKB-RUZDIDTESA-N 0 0 422.613 5.070 40 0 HKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccccc2C)cc1 ZINC000224586529 568586304 /nfs/dbraw/zinc/58/63/04/568586304.db2.gz ZVZYZEUCZWYOIN-OSVNEOKWSA-N 0 0 404.535 5.013 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1cccc(OC)c1 ZINC000224586574 568586303 /nfs/dbraw/zinc/58/63/03/568586303.db2.gz SBKCVJDOLFSVTI-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1cccc(OC)c1 ZINC000224586640 568586337 /nfs/dbraw/zinc/58/63/37/568586337.db2.gz RUNLBFIVWFSEIY-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1cccc(OC)c1 ZINC000224586708 568586329 /nfs/dbraw/zinc/58/63/29/568586329.db2.gz LPTXYMDFTUMVFG-UHFFFAOYSA-N 0 0 405.494 5.488 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1cccc(OC)c1 ZINC000224586778 568586362 /nfs/dbraw/zinc/58/63/62/568586362.db2.gz VDAZVMMEMJIILU-UHFFFAOYSA-N 0 0 405.494 5.488 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1cccc(OC)c1 ZINC000224586845 568586559 /nfs/dbraw/zinc/58/65/59/568586559.db2.gz VPGLFSHTTWZECT-UHFFFAOYSA-N 0 0 419.521 6.049 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1cccc(OC)c1 ZINC000224587195 568586491 /nfs/dbraw/zinc/58/64/91/568586491.db2.gz WIJBVVDXMUUWCJ-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1cccc(OC)c1 ZINC000224587273 568586555 /nfs/dbraw/zinc/58/65/55/568586555.db2.gz YRPJRMZEFUNSPY-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1cccc(OC)c1 ZINC000224587344 568586488 /nfs/dbraw/zinc/58/64/88/568586488.db2.gz CCVXMGSGGDEFHJ-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000224587498 568586510 /nfs/dbraw/zinc/58/65/10/568586510.db2.gz JWVCCFDQYQYBEI-JCMHNJIXSA-N 0 0 420.534 5.253 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1cccc(OC)c1 ZINC000224588399 568586543 /nfs/dbraw/zinc/58/65/43/568586543.db2.gz RYJJSPBBCGKRBW-UHFFFAOYSA-N 0 0 413.420 5.203 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1cccc(OC)c1 ZINC000224588467 568586551 /nfs/dbraw/zinc/58/65/51/568586551.db2.gz YHGUVSKXIIVKNT-UHFFFAOYSA-N 0 0 413.420 5.203 40 0 HKABRN COc1ccccc1Oc1ccc(Cl)cc1NC(=O)Cc1cccc(Cl)c1 ZINC000224588987 568586521 /nfs/dbraw/zinc/58/65/21/568586521.db2.gz GYGNWOVFOFUYLJ-UHFFFAOYSA-N 0 0 402.277 5.976 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1cccc(OC)c1 ZINC000224589215 568586508 /nfs/dbraw/zinc/58/65/08/568586508.db2.gz RUMBEBUFQBIMIP-UHFFFAOYSA-N 0 0 421.493 5.324 40 0 HKABRN CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3cccc(OC)c3)c2)cc1 ZINC000224589289 568586484 /nfs/dbraw/zinc/58/64/84/568586484.db2.gz CLQNESCQZBUWJA-UHFFFAOYSA-N 0 0 421.493 5.324 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1cccc(OC)c1 ZINC000224589867 568586571 /nfs/dbraw/zinc/58/65/71/568586571.db2.gz JDXQOLRTPFOMET-UHFFFAOYSA-N 0 0 421.493 5.242 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1cccc(OC)c1 ZINC000224590076 568586544 /nfs/dbraw/zinc/58/65/44/568586544.db2.gz YDWHMCKUUQVGAA-UHFFFAOYSA-N 0 0 423.534 5.647 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1cccc(OC)c1 ZINC000224590492 568586545 /nfs/dbraw/zinc/58/65/45/568586545.db2.gz QKAFDWBUJMYGOM-UHFFFAOYSA-N 0 0 419.477 5.128 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1cccc(OC)c1 ZINC000224592867 568586914 /nfs/dbraw/zinc/58/69/14/568586914.db2.gz XGZPQYGAURTSSY-UHFFFAOYSA-N 0 0 423.534 5.647 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1cccc(OC)c1 ZINC000224593088 568586897 /nfs/dbraw/zinc/58/68/97/568586897.db2.gz BGKGXJQGEBHJMT-UHFFFAOYSA-N 0 0 419.521 5.850 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1cccc(OC)c1 ZINC000224593997 568586867 /nfs/dbraw/zinc/58/68/67/568586867.db2.gz LSZQWJDCKMCLAV-UHFFFAOYSA-N 0 0 411.542 5.516 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1cccc(OC)c1 ZINC000224594714 568586918 /nfs/dbraw/zinc/58/69/18/568586918.db2.gz XMRQWNMCAXBSMT-KRWDZBQOSA-N 0 0 423.484 5.303 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1cccc(OC)c1 ZINC000224594766 568586931 /nfs/dbraw/zinc/58/69/31/568586931.db2.gz XMRQWNMCAXBSMT-QGZVFWFLSA-N 0 0 423.484 5.303 40 0 HKABRN CCCCc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)cc1 ZINC000224595458 568586907 /nfs/dbraw/zinc/58/69/07/568586907.db2.gz GDWSLYMRXIBUCO-QJOMJCCJSA-N 0 0 402.494 5.340 40 0 HKABRN CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccc(OC)cc1 ZINC000224595937 568587065 /nfs/dbraw/zinc/58/70/65/568587065.db2.gz QKDBWRXQHZLDJB-UHFFFAOYSA-N 0 0 409.526 5.293 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccc(OC)cc1 ZINC000224596358 568587088 /nfs/dbraw/zinc/58/70/88/568587088.db2.gz WUKDAVMHNYFGCJ-SFHVURJKSA-N 0 0 405.494 5.164 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccc(OC)cc1 ZINC000224596404 568587148 /nfs/dbraw/zinc/58/71/48/568587148.db2.gz WUKDAVMHNYFGCJ-GOSISDBHSA-N 0 0 405.494 5.164 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccc(OC)cc1 ZINC000224597113 568587037 /nfs/dbraw/zinc/58/70/37/568587037.db2.gz XOCIGMUGNHYJBU-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccc(OC)cc1 ZINC000224597169 568587033 /nfs/dbraw/zinc/58/70/33/568587033.db2.gz VORKJPPTCRAHSX-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccc(OC)cc1 ZINC000224597234 568587050 /nfs/dbraw/zinc/58/70/50/568587050.db2.gz NXSZSAYWBSYBQE-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccc(OC)cc1 ZINC000224597301 568587199 /nfs/dbraw/zinc/58/71/99/568587199.db2.gz YHHQXRNFOIPHDL-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1ccc(OC)cc1 ZINC000224597374 568587189 /nfs/dbraw/zinc/58/71/89/568587189.db2.gz TUGQASPADJGQEA-UHFFFAOYSA-N 0 0 419.521 5.796 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccc(OC)cc1 ZINC000224597435 568587048 /nfs/dbraw/zinc/58/70/48/568587048.db2.gz NEVICQRIRFPZDQ-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccc(OC)cc1 ZINC000224597505 568587092 /nfs/dbraw/zinc/58/70/92/568587092.db2.gz SZOQSUJXLAUOAW-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1ccc(OC)cc1 ZINC000224597563 568587052 /nfs/dbraw/zinc/58/70/52/568587052.db2.gz YWLIAGLHMOCNJF-UHFFFAOYSA-N 0 0 405.494 5.488 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1ccc(OC)cc1 ZINC000224597632 568587192 /nfs/dbraw/zinc/58/71/92/568587192.db2.gz UIHHSLATBOUNSF-UHFFFAOYSA-N 0 0 405.494 5.488 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccc(OC)cc1 ZINC000224597700 568587178 /nfs/dbraw/zinc/58/71/78/568587178.db2.gz JFYDSPATKJJCFW-UHFFFAOYSA-N 0 0 419.521 6.049 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccc(OC)cc1 ZINC000224598059 568587067 /nfs/dbraw/zinc/58/70/67/568587067.db2.gz GUJAVIBBTCZIAC-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccc(OC)cc1 ZINC000224598129 568587132 /nfs/dbraw/zinc/58/71/32/568587132.db2.gz WOKWLLQHBSINNX-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccc(OC)cc1 ZINC000224598178 568587107 /nfs/dbraw/zinc/58/71/07/568587107.db2.gz XEMQROSLTCOCDJ-UHFFFAOYSA-N 0 0 411.885 5.579 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccc(OC)cc1 ZINC000224599195 568587361 /nfs/dbraw/zinc/58/73/61/568587361.db2.gz KIMOZUMSJVFENB-UHFFFAOYSA-N 0 0 413.420 5.203 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccc(OC)cc1 ZINC000224599259 568587313 /nfs/dbraw/zinc/58/73/13/568587313.db2.gz ALPZKJDUKNRGHA-UHFFFAOYSA-N 0 0 413.420 5.203 40 0 HKABRN CCSc1nnc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)s1 ZINC000224599281 568587321 /nfs/dbraw/zinc/58/73/21/568587321.db2.gz RVFOEHKEYVZACM-UHFFFAOYSA-N 0 0 405.932 5.135 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1ccc(OC)cc1 ZINC000224600033 568587306 /nfs/dbraw/zinc/58/73/06/568587306.db2.gz VHYHOWMIVBCZMO-UHFFFAOYSA-N 0 0 421.493 5.324 40 0 HKABRN CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3ccc(OC)cc3)c2)cc1 ZINC000224600102 568587293 /nfs/dbraw/zinc/58/72/93/568587293.db2.gz SVZLKIZEHMAQBF-UHFFFAOYSA-N 0 0 421.493 5.324 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccc(OC)cc1 ZINC000224600649 568587474 /nfs/dbraw/zinc/58/74/74/568587474.db2.gz MZCRXECJRBUVAT-UHFFFAOYSA-N 0 0 421.493 5.242 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccc(OC)cc1 ZINC000224600843 568587442 /nfs/dbraw/zinc/58/74/42/568587442.db2.gz BVOWVBSWSPUSIR-UHFFFAOYSA-N 0 0 423.534 5.647 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccc(OC)cc1 ZINC000224601240 568587324 /nfs/dbraw/zinc/58/73/24/568587324.db2.gz GKUFNXMBDMFDFS-UHFFFAOYSA-N 0 0 419.477 5.128 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccc(OC)cc1 ZINC000224603575 568587631 /nfs/dbraw/zinc/58/76/31/568587631.db2.gz IARWXWYZPCIKJV-UHFFFAOYSA-N 0 0 423.534 5.647 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc(OC)cc1 ZINC000224603799 568587616 /nfs/dbraw/zinc/58/76/16/568587616.db2.gz WRERZGOZAOKTJI-UHFFFAOYSA-N 0 0 419.521 5.850 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000224604565 568587562 /nfs/dbraw/zinc/58/75/62/568587562.db2.gz UQBKKUOCRDTSOV-IBGZPJMESA-N 0 0 414.977 5.196 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000224604606 568587587 /nfs/dbraw/zinc/58/75/87/568587587.db2.gz UQBKKUOCRDTSOV-LJQANCHMSA-N 0 0 414.977 5.196 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccc(OC)cc1 ZINC000224604698 568587627 /nfs/dbraw/zinc/58/76/27/568587627.db2.gz GGHAHLDJSCWMHB-UHFFFAOYSA-N 0 0 411.542 5.516 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccc(OC)cc1 ZINC000224605437 568587665 /nfs/dbraw/zinc/58/76/65/568587665.db2.gz LVYIIYSQGAQWHG-KRWDZBQOSA-N 0 0 423.484 5.303 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccc(OC)cc1 ZINC000224605481 568587605 /nfs/dbraw/zinc/58/76/05/568587605.db2.gz LVYIIYSQGAQWHG-QGZVFWFLSA-N 0 0 423.484 5.303 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCCC2)cc1COc1cc(C)cc(C)c1C ZINC000224606659 568587803 /nfs/dbraw/zinc/58/78/03/568587803.db2.gz IIBURLCONRLLLV-UHFFFAOYSA-N 0 0 409.570 6.042 40 0 HKABRN CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1cc(C)cc(C)c1C ZINC000224606723 568587800 /nfs/dbraw/zinc/58/78/00/568587800.db2.gz IHGZZAUAXTWIJN-UHFFFAOYSA-N 0 0 421.581 6.210 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccccc2)cc1COc1cc(C)cc(C)c1C ZINC000224606790 568587822 /nfs/dbraw/zinc/58/78/22/568587822.db2.gz RKFWGSXEDWBODO-UHFFFAOYSA-N 0 0 403.522 5.520 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1cc(C)cc(C)c1C ZINC000224606864 568587788 /nfs/dbraw/zinc/58/77/88/568587788.db2.gz ZASFPJHVDFOHCC-UHFFFAOYSA-N 0 0 417.549 5.828 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1cc(C)cc(C)c1C ZINC000224607221 568587821 /nfs/dbraw/zinc/58/78/21/568587821.db2.gz OOMRGLLTIOYUOH-NRFANRHFSA-N 0 0 417.549 6.081 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1cc(C)cc(C)c1C ZINC000224607272 568587787 /nfs/dbraw/zinc/58/77/87/568587787.db2.gz OOMRGLLTIOYUOH-OAQYLSRUSA-N 0 0 417.549 6.081 40 0 HKABRN CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1cc(C)cc(C)c1C ZINC000224607342 568587791 /nfs/dbraw/zinc/58/77/91/568587791.db2.gz WYXOJWFUDNAGRV-UHFFFAOYSA-N 0 0 417.549 5.562 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2C)cc1COc1cc(C)cc(C)c1C ZINC000224607818 568587785 /nfs/dbraw/zinc/58/77/85/568587785.db2.gz WXSYEONSYJQKLD-UHFFFAOYSA-N 0 0 403.522 6.150 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1cc(C)cc(C)c1C ZINC000224607891 568587792 /nfs/dbraw/zinc/58/77/92/568587792.db2.gz LJFJEZDYQOSHNP-UHFFFAOYSA-N 0 0 403.522 6.150 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1cc(C)cc(C)c1C ZINC000224607964 568587819 /nfs/dbraw/zinc/58/78/19/568587819.db2.gz GECBXERBJSIFGP-UHFFFAOYSA-N 0 0 403.522 6.150 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1cc(C)cc(C)c1C ZINC000224608040 568587795 /nfs/dbraw/zinc/58/77/95/568587795.db2.gz INTRTOISNFVWSV-UHFFFAOYSA-N 0 0 417.549 6.459 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1cc(C)cc(C)c1C ZINC000224608101 568587805 /nfs/dbraw/zinc/58/78/05/568587805.db2.gz KOGABWPDSLFQRO-UHFFFAOYSA-N 0 0 417.549 6.459 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1cc(C)cc(C)c1C ZINC000224608169 568587810 /nfs/dbraw/zinc/58/78/10/568587810.db2.gz TYDCKHACYZFSOY-UHFFFAOYSA-N 0 0 417.549 6.459 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1cc(C)cc(C)c1C ZINC000224608240 568587784 /nfs/dbraw/zinc/58/77/84/568587784.db2.gz OWNWNQSBNRMYTB-UHFFFAOYSA-N 0 0 417.549 6.459 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1cc(C)cc(C)c1C ZINC000224608397 568587818 /nfs/dbraw/zinc/58/78/18/568587818.db2.gz ZLXSFAAHBULGIY-UHFFFAOYSA-N 0 0 417.549 6.459 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1cc(C)cc(C)c1C ZINC000224608463 568587826 /nfs/dbraw/zinc/58/78/26/568587826.db2.gz NURUMUQEXRMEML-UHFFFAOYSA-N 0 0 417.549 6.459 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1cc(C)cc(C)c1C ZINC000224608530 568587794 /nfs/dbraw/zinc/58/77/94/568587794.db2.gz GVZAXFSUYSEEIB-UHFFFAOYSA-N 0 0 417.549 6.404 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1cc(C)cc(C)c1C ZINC000224608605 568587843 /nfs/dbraw/zinc/58/78/43/568587843.db2.gz ITJDDVIIIMOPJT-UHFFFAOYSA-N 0 0 417.549 6.404 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2F)cc1COc1cc(C)cc(C)c1C ZINC000224608793 568587802 /nfs/dbraw/zinc/58/78/02/568587802.db2.gz LDCNEVKNBHKDMB-UHFFFAOYSA-N 0 0 407.485 5.981 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1cc(C)cc(C)c1C ZINC000224608861 568587811 /nfs/dbraw/zinc/58/78/11/568587811.db2.gz CSPRCIIBWOYTMG-UHFFFAOYSA-N 0 0 407.485 5.981 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1cc(C)cc(C)c1C ZINC000224608924 568587789 /nfs/dbraw/zinc/58/77/89/568587789.db2.gz MHRWCBFQWDESQE-UHFFFAOYSA-N 0 0 407.485 5.981 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1cc(C)cc(C)c1C ZINC000224608988 568587844 /nfs/dbraw/zinc/58/78/44/568587844.db2.gz ASPZRCATVDZBGD-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1cc(C)cc(C)c1C ZINC000224609057 568587793 /nfs/dbraw/zinc/58/77/93/568587793.db2.gz FSRMMILEQDAAGV-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1C ZINC000224609127 568587828 /nfs/dbraw/zinc/58/78/28/568587828.db2.gz ZAYOEOXWBWURKG-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1 ZINC000224609938 568587815 /nfs/dbraw/zinc/58/78/15/568587815.db2.gz PVYSQSWREXBLBP-OSVNEOKWSA-N 0 0 404.535 5.013 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1 ZINC000224609981 568587813 /nfs/dbraw/zinc/58/78/13/568587813.db2.gz PVYSQSWREXBLBP-CEZZIEKDSA-N 0 0 404.535 5.013 40 0 HKABRN Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 ZINC000224610600 568587979 /nfs/dbraw/zinc/58/79/79/568587979.db2.gz GSJPCEIRYVNUAS-GOTSBHOMSA-N 0 0 418.566 5.271 40 0 HKABRN Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 ZINC000224610648 568587991 /nfs/dbraw/zinc/58/79/91/568587991.db2.gz GSJPCEIRYVNUAS-PKTZIBPZSA-N 0 0 418.566 5.271 40 0 HKABRN Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 ZINC000224610702 568588062 /nfs/dbraw/zinc/58/80/62/568588062.db2.gz GSJPCEIRYVNUAS-XZOQPEGZSA-N 0 0 418.566 5.271 40 0 HKABRN Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 ZINC000224610757 568588066 /nfs/dbraw/zinc/58/80/66/568588066.db2.gz GSJPCEIRYVNUAS-DHIUTWEWSA-N 0 0 418.566 5.271 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1cc(C)cc(C)c1C ZINC000224610760 568588055 /nfs/dbraw/zinc/58/80/55/568588055.db2.gz LLMAWUVOPNDFML-UHFFFAOYSA-N 0 0 419.521 5.850 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1cc(C)cc(C)c1C ZINC000224611293 568588017 /nfs/dbraw/zinc/58/80/17/568588017.db2.gz IRVCHCSJJFVDGE-UHFFFAOYSA-N 0 0 419.521 5.850 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1cc(C)cc(C)c1C ZINC000224611364 568588069 /nfs/dbraw/zinc/58/80/69/568588069.db2.gz YYAPBMGMKCEEEH-UHFFFAOYSA-N 0 0 419.521 5.850 40 0 HKABRN CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1cc(C)cc(C)c1C ZINC000224612884 568588083 /nfs/dbraw/zinc/58/80/83/568588083.db2.gz DHLCRFVNOKZBRI-UHFFFAOYSA-N 0 0 417.549 5.862 40 0 HKABRN CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224613779 568588072 /nfs/dbraw/zinc/58/80/72/568588072.db2.gz BXHJOINLLKCGHH-UHFFFAOYSA-N 0 0 402.343 5.341 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1OCC ZINC000224615180 568588304 /nfs/dbraw/zinc/58/83/04/568588304.db2.gz XGVXSRQYQKWXKU-QZTJIDSGSA-N 0 0 411.542 5.008 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1OCC ZINC000224615221 568588202 /nfs/dbraw/zinc/58/82/02/568588202.db2.gz XGVXSRQYQKWXKU-ZWKOTPCHSA-N 0 0 411.542 5.008 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1OCC ZINC000224615270 568588195 /nfs/dbraw/zinc/58/81/95/568588195.db2.gz XGVXSRQYQKWXKU-MSOLQXFVSA-N 0 0 411.542 5.008 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1OCC ZINC000224615316 568588310 /nfs/dbraw/zinc/58/83/10/568588310.db2.gz XGVXSRQYQKWXKU-ROUUACIJSA-N 0 0 411.542 5.008 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2cccc(OC(C)C)c2)c1 ZINC000224615519 568588144 /nfs/dbraw/zinc/58/81/44/568588144.db2.gz UGDXTJWKAULATO-JCMHNJIXSA-N 0 0 420.534 5.253 40 0 HKABRN Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 ZINC000224615993 568588250 /nfs/dbraw/zinc/58/82/50/568588250.db2.gz MIFXNYKMBUFWDA-GOTSBHOMSA-N 0 0 413.502 5.224 40 0 HKABRN Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 ZINC000224616044 568588240 /nfs/dbraw/zinc/58/82/40/568588240.db2.gz MIFXNYKMBUFWDA-PKTZIBPZSA-N 0 0 413.502 5.224 40 0 HKABRN Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 ZINC000224616083 568588291 /nfs/dbraw/zinc/58/82/91/568588291.db2.gz MIFXNYKMBUFWDA-XZOQPEGZSA-N 0 0 413.502 5.224 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1cc(C)cc(C)c1C ZINC000224616132 568588214 /nfs/dbraw/zinc/58/82/14/568588214.db2.gz FTOAWAZHBSOGIN-UHFFFAOYSA-N 0 0 423.597 6.432 40 0 HKABRN Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 ZINC000224616141 568588177 /nfs/dbraw/zinc/58/81/77/568588177.db2.gz MIFXNYKMBUFWDA-DHIUTWEWSA-N 0 0 413.502 5.224 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1cc(C)cc(C)c1C ZINC000224616780 568588217 /nfs/dbraw/zinc/58/82/17/568588217.db2.gz RNLUJEGUDPOLTR-UHFFFAOYSA-N 0 0 421.512 5.659 40 0 HKABRN CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccc(C)c(C)c1 ZINC000224618047 568588379 /nfs/dbraw/zinc/58/83/79/568588379.db2.gz BSWIJVCRWWSEGW-UHFFFAOYSA-N 0 0 407.554 5.901 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccc(C)c(C)c1 ZINC000224618181 568588406 /nfs/dbraw/zinc/58/84/06/568588406.db2.gz UELHOXNHHJJWKE-UHFFFAOYSA-N 0 0 403.522 5.520 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccc(C)c(C)c1 ZINC000224618246 568588393 /nfs/dbraw/zinc/58/83/93/568588393.db2.gz XIWMXGISCZPECK-UHFFFAOYSA-N 0 0 423.940 5.865 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccc(C)c(C)c1 ZINC000224618313 568588417 /nfs/dbraw/zinc/58/84/17/568588417.db2.gz UXURUFIHUAPBBB-UHFFFAOYSA-N 0 0 423.940 5.865 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1ccc(C)c(C)c1 ZINC000224618435 568588326 /nfs/dbraw/zinc/58/83/26/568588326.db2.gz AFKWBUMEDXLADI-UHFFFAOYSA-N 0 0 419.521 5.220 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccc(C)c(C)c1 ZINC000224618498 568588382 /nfs/dbraw/zinc/58/83/82/568588382.db2.gz FBGFLWKIIJWPMS-FQEVSTJZSA-N 0 0 403.522 5.772 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccc(C)c(C)c1 ZINC000224618541 568588388 /nfs/dbraw/zinc/58/83/88/568588388.db2.gz FBGFLWKIIJWPMS-HXUWFJFHSA-N 0 0 403.522 5.772 40 0 HKABRN CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc(C)c(C)c1 ZINC000224618612 568588332 /nfs/dbraw/zinc/58/83/32/568588332.db2.gz WLINNIRMBGAMRA-UHFFFAOYSA-N 0 0 403.522 5.254 40 0 HKABRN COc1ccc(S(=O)(=O)N(C)c2cc(Cl)cc(Cl)c2)c(Cl)c1Cl ZINC000224618948 568588372 /nfs/dbraw/zinc/58/83/72/568588372.db2.gz UZVYRYUNOKZIIX-UHFFFAOYSA-N 0 0 415.125 5.134 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccc(C)c(C)c1 ZINC000224619273 568588457 /nfs/dbraw/zinc/58/84/57/568588457.db2.gz CJWHFKZVKGVVRB-UHFFFAOYSA-N 0 0 403.522 6.150 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccc(C)c(C)c1 ZINC000224619340 568588315 /nfs/dbraw/zinc/58/83/15/568588315.db2.gz JHDVEQWOWWVQPS-UHFFFAOYSA-N 0 0 403.522 6.150 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccc(C)c(C)c1 ZINC000224619406 568588335 /nfs/dbraw/zinc/58/83/35/568588335.db2.gz YANKVVZDGWBAMB-UHFFFAOYSA-N 0 0 403.522 6.150 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccc(C)c(C)c1 ZINC000224619481 568588350 /nfs/dbraw/zinc/58/83/50/568588350.db2.gz SUSAOSZDXXLPIR-UHFFFAOYSA-N 0 0 403.522 6.150 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1ccc(C)c(C)c1 ZINC000224619559 568588420 /nfs/dbraw/zinc/58/84/20/568588420.db2.gz PNDCPTKZVTZHSW-UHFFFAOYSA-N 0 0 417.549 6.404 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccc(C)c(C)c1 ZINC000224619628 568588370 /nfs/dbraw/zinc/58/83/70/568588370.db2.gz BDNIHDFBGSEVKV-UHFFFAOYSA-N 0 0 403.522 6.150 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccc(C)c(C)c1 ZINC000224619701 568588460 /nfs/dbraw/zinc/58/84/60/568588460.db2.gz HTSWLWVSIYIGHL-UHFFFAOYSA-N 0 0 403.522 6.150 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1ccc(C)c(C)c1 ZINC000224619781 568588431 /nfs/dbraw/zinc/58/84/31/568588431.db2.gz DFLSMXOAYQADNI-UHFFFAOYSA-N 0 0 403.522 6.096 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1ccc(C)c(C)c1 ZINC000224619850 568588316 /nfs/dbraw/zinc/58/83/16/568588316.db2.gz RFPJNSJQDCVEDT-UHFFFAOYSA-N 0 0 403.522 6.096 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccc(C)c(C)c1 ZINC000224619916 568588385 /nfs/dbraw/zinc/58/83/85/568588385.db2.gz ATJGNARPWVAZPS-UHFFFAOYSA-N 0 0 417.549 6.657 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccc(C)c(C)c1 ZINC000224620239 568588440 /nfs/dbraw/zinc/58/84/40/568588440.db2.gz ZPFZMSDAGLSZJA-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccc(C)c(C)c1 ZINC000224620305 568588438 /nfs/dbraw/zinc/58/84/38/568588438.db2.gz CNFRANBRFFWJHV-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccc(C)c(C)c1 ZINC000224620375 568588346 /nfs/dbraw/zinc/58/83/46/568588346.db2.gz UUXZXDBVBBGABT-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN COc1ccc(S(=O)(=O)N(C)c2cc(Cl)ccc2Cl)c(Cl)c1Cl ZINC000224620644 568588542 /nfs/dbraw/zinc/58/85/42/568588542.db2.gz OPIPWYMGQZDJQE-UHFFFAOYSA-N 0 0 415.125 5.134 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccc(C)c(C)c1 ZINC000224620696 568588578 /nfs/dbraw/zinc/58/85/78/568588578.db2.gz RPMAQLKSUWPPMA-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccc(C)c(C)c1 ZINC000224620767 568588646 /nfs/dbraw/zinc/58/86/46/568588646.db2.gz CRHINOMPGURQFZ-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccc(C)c(C)c1 ZINC000224620836 568588533 /nfs/dbraw/zinc/58/85/33/568588533.db2.gz CLPYUFPNUOPVDY-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccc(C)c(C)c1 ZINC000224620899 568588610 /nfs/dbraw/zinc/58/86/10/568588610.db2.gz WATQXIQVRDLVEH-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 ZINC000224621158 568588529 /nfs/dbraw/zinc/58/85/29/568588529.db2.gz RCQQYXCKUAPYGL-GOTSBHOMSA-N 0 0 418.566 5.271 40 0 HKABRN Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 ZINC000224621205 568588623 /nfs/dbraw/zinc/58/86/23/568588623.db2.gz RCQQYXCKUAPYGL-PKTZIBPZSA-N 0 0 418.566 5.271 40 0 HKABRN Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 ZINC000224621249 568588660 /nfs/dbraw/zinc/58/86/60/568588660.db2.gz RCQQYXCKUAPYGL-XZOQPEGZSA-N 0 0 418.566 5.271 40 0 HKABRN Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 ZINC000224621292 568588678 /nfs/dbraw/zinc/58/86/78/568588678.db2.gz RCQQYXCKUAPYGL-DHIUTWEWSA-N 0 0 418.566 5.271 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccc(C)c(C)c1 ZINC000224621363 568588554 /nfs/dbraw/zinc/58/85/54/568588554.db2.gz QCDCUKPVNPZRPY-UHFFFAOYSA-N 0 0 411.448 5.812 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccc(C)c(C)c1 ZINC000224621430 568588618 /nfs/dbraw/zinc/58/86/18/568588618.db2.gz PQCHKMGJRDFZBS-UHFFFAOYSA-N 0 0 411.448 5.812 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccc(C)c(C)c1 ZINC000224621971 568588635 /nfs/dbraw/zinc/58/86/35/568588635.db2.gz AICGIAAJARRHMI-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1ccc(C)c(C)c1 ZINC000224622033 568588532 /nfs/dbraw/zinc/58/85/32/568588532.db2.gz WBPFDVRRLJVWIO-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1ccc(C)c(C)c1 ZINC000224622104 568588686 /nfs/dbraw/zinc/58/86/86/568588686.db2.gz ZZAQSRPUZYIRRK-UHFFFAOYSA-N 0 0 405.494 5.542 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1ccc(C)c(C)c1 ZINC000224622174 568588601 /nfs/dbraw/zinc/58/86/01/568588601.db2.gz DEFZNLMICORXMH-UHFFFAOYSA-N 0 0 419.521 5.932 40 0 HKABRN CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3ccc(C)c(C)c3)c2)cc1 ZINC000224622237 568588551 /nfs/dbraw/zinc/58/85/51/568588551.db2.gz HBWKQKQJXJURIC-UHFFFAOYSA-N 0 0 419.521 5.932 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccc(C)c(C)c1 ZINC000224622649 568588676 /nfs/dbraw/zinc/58/86/76/568588676.db2.gz LASXNGZGTQSVEL-UHFFFAOYSA-N 0 0 419.477 5.262 40 0 HKABRN CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224622690 568588864 /nfs/dbraw/zinc/58/88/64/568588864.db2.gz QIJUCQSMQQZPOS-UHFFFAOYSA-N 0 0 408.734 5.179 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccc(C)c(C)c1 ZINC000224622778 568588948 /nfs/dbraw/zinc/58/89/48/568588948.db2.gz BXTIPTMKKGSPSF-UHFFFAOYSA-N 0 0 419.521 5.850 40 0 HKABRN CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224622974 568588789 /nfs/dbraw/zinc/58/87/89/568588789.db2.gz WCMHWXTUJWADDZ-UHFFFAOYSA-N 0 0 408.734 5.179 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccc(C)c(C)c1 ZINC000224622989 568588758 /nfs/dbraw/zinc/58/87/58/568588758.db2.gz YGQDRYDRQZJVGP-UHFFFAOYSA-N 0 0 421.562 6.255 40 0 HKABRN CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224623272 568588916 /nfs/dbraw/zinc/58/89/16/568588916.db2.gz NFRYUQZFHXEQSE-UHFFFAOYSA-N 0 0 408.734 5.179 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccc(C)c(C)c1 ZINC000224623396 568588785 /nfs/dbraw/zinc/58/87/85/568588785.db2.gz LWMQRTANLZOHOW-UHFFFAOYSA-N 0 0 417.505 5.736 40 0 HKABRN CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224623548 568588807 /nfs/dbraw/zinc/58/88/07/568588807.db2.gz DYBJZHXTXPWRJA-UHFFFAOYSA-N 0 0 408.734 5.179 40 0 HKABRN CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccc(C)c(C)c1 ZINC000224623661 568588908 /nfs/dbraw/zinc/58/89/08/568588908.db2.gz JAUJGSQPTPKJAF-UHFFFAOYSA-N 0 0 403.522 5.553 40 0 HKABRN CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)NCC(C)C)cc1 ZINC000224624141 568588886 /nfs/dbraw/zinc/58/88/86/568588886.db2.gz CXOSZIADGCZOBG-VWLOTQADSA-N 0 0 422.613 5.070 40 0 HKABRN CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)NCC(C)C)cc1 ZINC000224624187 568588839 /nfs/dbraw/zinc/58/88/39/568588839.db2.gz CXOSZIADGCZOBG-RUZDIDTESA-N 0 0 422.613 5.070 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccco2)N1c1ccc(Oc2ccccc2)cc1 ZINC000224624723 568588901 /nfs/dbraw/zinc/58/89/01/568588901.db2.gz ZCXTZOBOIPLBNT-XZOQPEGZSA-N 0 0 413.502 5.644 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccco2)N1c1ccc(Oc2ccccc2)cc1 ZINC000224624766 568588819 /nfs/dbraw/zinc/58/88/19/568588819.db2.gz ZCXTZOBOIPLBNT-DHIUTWEWSA-N 0 0 413.502 5.644 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccco2)N1c1ccc(Oc2ccccc2)cc1 ZINC000224624809 568588771 /nfs/dbraw/zinc/58/87/71/568588771.db2.gz ZCXTZOBOIPLBNT-GOTSBHOMSA-N 0 0 413.502 5.644 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccco2)N1c1ccc(Oc2ccccc2)cc1 ZINC000224624856 568588768 /nfs/dbraw/zinc/58/87/68/568588768.db2.gz ZCXTZOBOIPLBNT-PKTZIBPZSA-N 0 0 413.502 5.644 40 0 HKABRN CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc(C)c(C)c1 ZINC000224625183 568588826 /nfs/dbraw/zinc/58/88/26/568588826.db2.gz JGDQEEKWNUTBIJ-UHFFFAOYSA-N 0 0 415.533 5.480 40 0 HKABRN CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224625275 568588944 /nfs/dbraw/zinc/58/89/44/568588944.db2.gz GXEAIYWYSWAYSN-UHFFFAOYSA-N 0 0 412.697 5.010 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1ccc(C)c(C)c1 ZINC000224625360 568589038 /nfs/dbraw/zinc/58/90/38/568589038.db2.gz CTNDXRKXWNUHML-UHFFFAOYSA-N 0 0 419.521 5.220 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccc(C)c(C)c1 ZINC000224625809 568589075 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412.518 5.379 40 0 HKABRN CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224626447 568589085 /nfs/dbraw/zinc/58/90/85/568589085.db2.gz MJVNVUURDJBCNM-UHFFFAOYSA-N 0 0 402.343 5.142 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccc(C)c(C)c1 ZINC000224626832 568589100 /nfs/dbraw/zinc/58/91/00/568589100.db2.gz XBBWSUGAMIKFDW-UHFFFAOYSA-N 0 0 409.570 6.124 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccc(C)c(C)c1 ZINC000224627404 568589007 /nfs/dbraw/zinc/58/90/07/568589007.db2.gz MKGOUBNCAHDMED-UHFFFAOYSA-N 0 0 407.485 5.350 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccc(C)c(C)c1 ZINC000224627456 568589013 /nfs/dbraw/zinc/58/90/13/568589013.db2.gz KNUYQYHTUGEOAJ-IBGZPJMESA-N 0 0 421.512 5.911 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccc(C)c(C)c1 ZINC000224627486 568589009 /nfs/dbraw/zinc/58/90/09/568589009.db2.gz KNUYQYHTUGEOAJ-LJQANCHMSA-N 0 0 421.512 5.911 40 0 HKABRN COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(Cl)c2)c(Cl)c1Cl ZINC000224628231 568589304 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CCOc1ccc(C(=O)NCc2ccco2)cc1COc1cccc2ccccc21 ZINC000224629225 568589473 /nfs/dbraw/zinc/58/94/73/568589473.db2.gz PRAUIXWASRJXKP-UHFFFAOYSA-N 0 0 401.462 5.341 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2C)cc1COc1cccc2ccccc21 ZINC000224629445 568589492 /nfs/dbraw/zinc/58/94/92/568589492.db2.gz AJWGPGSAFMPEGB-UHFFFAOYSA-N 0 0 411.501 6.378 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1cccc2ccccc21 ZINC000224629512 568589453 /nfs/dbraw/zinc/58/94/53/568589453.db2.gz NMDZPYOIUDOAGX-UHFFFAOYSA-N 0 0 411.501 6.378 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1cccc2ccccc21 ZINC000224629580 568589415 /nfs/dbraw/zinc/58/94/15/568589415.db2.gz YUTDAVGYXIOWQS-UHFFFAOYSA-N 0 0 411.501 6.378 40 0 HKABRN CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224630207 568589497 /nfs/dbraw/zinc/58/94/97/568589497.db2.gz UBSOPDNFTZAKQA-UHFFFAOYSA-N 0 0 418.342 5.004 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2F)cc1COc1cccc2ccccc21 ZINC000224630408 568589444 /nfs/dbraw/zinc/58/94/44/568589444.db2.gz QOYLGMKHYGEHRH-UHFFFAOYSA-N 0 0 415.464 6.209 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1cccc2ccccc21 ZINC000224630473 568589457 /nfs/dbraw/zinc/58/94/57/568589457.db2.gz HYIREKAXHRNAAZ-UHFFFAOYSA-N 0 0 415.464 6.209 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1cccc2ccccc21 ZINC000224630533 568589449 /nfs/dbraw/zinc/58/94/49/568589449.db2.gz KPUWJTDAZOMKTJ-UHFFFAOYSA-N 0 0 415.464 6.209 40 0 HKABRN CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COc1cccc2ccccc21 ZINC000224634105 568589825 /nfs/dbraw/zinc/58/98/25/568589825.db2.gz PUTOXDXGVAWDQM-UHFFFAOYSA-N 0 0 403.522 5.690 40 0 HKABRN CCOc1ccc(C(=O)N2CCCCCC2)cc1COc1cccc2ccccc21 ZINC000224634374 568589750 /nfs/dbraw/zinc/58/97/50/568589750.db2.gz QKGGJLGKFKWHEA-UHFFFAOYSA-N 0 0 403.522 5.834 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)cc1 ZINC000224637514 568589995 /nfs/dbraw/zinc/58/99/95/568589995.db2.gz TYMCOEKZSZNGPP-UHFFFAOYSA-N 0 0 417.559 6.058 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCC2)cc1COc1ccc2ccccc2c1 ZINC000224638424 568589916 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CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccc2ccccc2c1 ZINC000224639637 568589940 /nfs/dbraw/zinc/58/99/40/568589940.db2.gz ZKWUXXOZOCZOIE-UHFFFAOYSA-N 0 0 411.501 6.378 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccc2ccccc2c1 ZINC000224640467 568589992 /nfs/dbraw/zinc/58/99/92/568589992.db2.gz ORPAXARPJVSSLR-UHFFFAOYSA-N 0 0 415.464 6.209 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccc2ccccc2c1 ZINC000224640527 568589892 /nfs/dbraw/zinc/58/98/92/568589892.db2.gz LBXCQMGVRKFEOU-UHFFFAOYSA-N 0 0 415.464 6.209 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccc2ccccc2c1 ZINC000224640589 568589911 /nfs/dbraw/zinc/58/99/11/568589911.db2.gz FRUCHHTWRRJAEK-UHFFFAOYSA-N 0 0 415.464 6.209 40 0 HKABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCSc1ccccc1 ZINC000224644375 568590301 /nfs/dbraw/zinc/59/03/01/568590301.db2.gz HQNFHSLPDAKEAF-FQEVSTJZSA-N 0 0 424.610 5.035 40 0 HKABRN CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccc2ccccc2c1 ZINC000224644379 568590199 /nfs/dbraw/zinc/59/01/99/568590199.db2.gz BSDRWXMOMGVYBK-UHFFFAOYSA-N 0 0 403.522 5.690 40 0 HKABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCSc1ccccc1 ZINC000224644427 568590186 /nfs/dbraw/zinc/59/01/86/568590186.db2.gz HQNFHSLPDAKEAF-HXUWFJFHSA-N 0 0 424.610 5.035 40 0 HKABRN CCOc1ccc(C(=O)N2CCCCCC2)cc1COc1ccc2ccccc2c1 ZINC000224644626 568590247 /nfs/dbraw/zinc/59/02/47/568590247.db2.gz FTKCLNGYDWVAFN-UHFFFAOYSA-N 0 0 403.522 5.834 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1CSc1ccccc1 ZINC000224649533 568590521 /nfs/dbraw/zinc/59/05/21/568590521.db2.gz LBDCPVIIWCKLPU-UHFFFAOYSA-N 0 0 411.954 5.961 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1CSc1ccccc1 ZINC000224649600 568590554 /nfs/dbraw/zinc/59/05/54/568590554.db2.gz MHCSBBILOBQNKF-UHFFFAOYSA-N 0 0 411.954 5.961 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1CSc1ccccc1 ZINC000224649722 568590578 /nfs/dbraw/zinc/59/05/78/568590578.db2.gz JKOYJWHRXUVMJZ-UHFFFAOYSA-N 0 0 407.535 5.316 40 0 HKABRN CCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1CSc1ccccc1 ZINC000224649952 568590595 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ZINC000224651957 568590597 /nfs/dbraw/zinc/59/05/97/568590597.db2.gz VBPUAYPWHJUAQE-UHFFFAOYSA-N 0 0 411.954 6.592 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1CSc1ccccc1 ZINC000224652012 568590571 /nfs/dbraw/zinc/59/05/71/568590571.db2.gz UKSDWIXVMWZDQS-UHFFFAOYSA-N 0 0 411.954 6.592 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1CSc1ccccc1 ZINC000224652604 568590800 /nfs/dbraw/zinc/59/08/00/568590800.db2.gz VAFQCPXBKCHGEJ-UHFFFAOYSA-N 0 0 415.917 6.422 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1CSc1ccccc1 ZINC000224653242 568590725 /nfs/dbraw/zinc/59/07/25/568590725.db2.gz NITBEYHUXOTVBI-UHFFFAOYSA-N 0 0 407.535 6.029 40 0 HKABRN CCOc1ccc(NC(=O)c2ccc(OCC)c(CSc3ccccc3)c2)cc1 ZINC000224653309 568590718 /nfs/dbraw/zinc/59/07/18/568590718.db2.gz QZGILPPTYCKRKI-UHFFFAOYSA-N 0 0 407.535 6.029 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1CSc1ccccc1 ZINC000224653501 568590765 /nfs/dbraw/zinc/59/07/65/568590765.db2.gz UQEZPNYSWFLINN-UHFFFAOYSA-N 0 0 423.534 5.647 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1CSc1ccccc1 ZINC000224653569 568590726 /nfs/dbraw/zinc/59/07/26/568590726.db2.gz HJXPVBHLEIOJML-UHFFFAOYSA-N 0 0 423.534 5.647 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1CSc1ccccc1 ZINC000224653636 568590760 /nfs/dbraw/zinc/59/07/60/568590760.db2.gz KCKRDKLYWMGLEX-UHFFFAOYSA-N 0 0 423.534 5.647 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1CSc1ccccc1 ZINC000224653698 568590799 /nfs/dbraw/zinc/59/07/99/568590799.db2.gz LVPJQMKVJXMSDG-UHFFFAOYSA-N 0 0 407.491 5.359 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1CSc1ccccc1 ZINC000224653769 568590768 /nfs/dbraw/zinc/59/07/68/568590768.db2.gz AVQKCUZOIGBQGU-UHFFFAOYSA-N 0 0 421.518 5.401 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1CSc1ccccc1 ZINC000224653837 568590757 /nfs/dbraw/zinc/59/07/57/568590757.db2.gz ZOJNCIHAFTYTCN-UHFFFAOYSA-N 0 0 407.535 5.947 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1CSc1ccccc1 ZINC000224654021 568590793 /nfs/dbraw/zinc/59/07/93/568590793.db2.gz QFKYBGIOFNMECQ-UHFFFAOYSA-N 0 0 409.576 6.352 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1CSc1ccccc1 ZINC000224654091 568590772 /nfs/dbraw/zinc/59/07/72/568590772.db2.gz KFOZRHKCOURQFS-UHFFFAOYSA-N 0 0 421.518 5.417 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1CSc1ccccc1 ZINC000224654151 568590779 /nfs/dbraw/zinc/59/07/79/568590779.db2.gz RTQXFEREABNHJI-UHFFFAOYSA-N 0 0 421.518 5.417 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1CSc1ccccc1 ZINC000224654412 568590746 /nfs/dbraw/zinc/59/07/46/568590746.db2.gz DVVKKNXVWXVNLL-UHFFFAOYSA-N 0 0 405.519 5.833 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1CSc1ccccc1 ZINC000224654525 568590775 /nfs/dbraw/zinc/59/07/75/568590775.db2.gz JIDJRUDKQARTLP-UHFFFAOYSA-N 0 0 420.534 5.588 40 0 HKABRN Cc1ccc([C@@H](NC(=O)CSCc2ccc(Cl)cc2F)c2ccccc2)cc1 ZINC000224654792 568590781 /nfs/dbraw/zinc/59/07/81/568590781.db2.gz POHNIARTMFXVFB-QHCPKHFHSA-N 0 0 413.945 5.927 40 0 HKABRN Cc1ccc([C@H](NC(=O)CSCc2ccc(Cl)cc2F)c2ccccc2)cc1 ZINC000224654839 568590763 /nfs/dbraw/zinc/59/07/63/568590763.db2.gz POHNIARTMFXVFB-HSZRJFAPSA-N 0 0 413.945 5.927 40 0 HKABRN CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1CSc1ccccc1 ZINC000224656158 568590912 /nfs/dbraw/zinc/59/09/12/568590912.db2.gz JLBPKNYWSSJADS-UHFFFAOYSA-N 0 0 403.547 5.576 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1CSc1ccccc1 ZINC000224656224 568590937 /nfs/dbraw/zinc/59/09/37/568590937.db2.gz GJPOOEUJGGRXDV-UHFFFAOYSA-N 0 0 421.518 5.036 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccccc2OC)cc1CSc1ccccc1 ZINC000224656293 568590907 /nfs/dbraw/zinc/59/09/07/568590907.db2.gz GGIDGOOWBMGBML-UHFFFAOYSA-N 0 0 407.535 5.316 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(OCC)c(CSc3ccccc3)c2)cc1 ZINC000224656651 568590908 /nfs/dbraw/zinc/59/09/08/568590908.db2.gz MCPCOTVYSIGCOW-UHFFFAOYSA-N 0 0 419.590 6.973 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2SC)cc1CSc1ccccc1 ZINC000224656715 568590986 /nfs/dbraw/zinc/59/09/86/568590986.db2.gz DQFIOKZXFHNMAA-UHFFFAOYSA-N 0 0 409.576 6.352 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1CSc1ccccc1 ZINC000224656903 568590933 /nfs/dbraw/zinc/59/09/33/568590933.db2.gz HYECMCVIYXURAU-UHFFFAOYSA-N 0 0 405.563 6.555 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1CSc1ccccc1 ZINC000224656955 568590917 /nfs/dbraw/zinc/59/09/17/568590917.db2.gz FWCQMMRQABHDIN-UHFFFAOYSA-N 0 0 419.590 6.755 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1CSc1ccccc1 ZINC000224657269 568590911 /nfs/dbraw/zinc/59/09/11/568590911.db2.gz GLVQCBDYLBFZDZ-UHFFFAOYSA-N 0 0 420.534 5.588 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1CSc1ccccc1 ZINC000224657666 568590932 /nfs/dbraw/zinc/59/09/32/568590932.db2.gz PNYCFNIEBNALSX-FQEVSTJZSA-N 0 0 419.590 6.129 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1CSc1ccccc1 ZINC000224657709 568590930 /nfs/dbraw/zinc/59/09/30/568590930.db2.gz PNYCFNIEBNALSX-HXUWFJFHSA-N 0 0 419.590 6.129 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC000224657918 568590943 /nfs/dbraw/zinc/59/09/43/568590943.db2.gz KUVWVRZQICNZTQ-UHFFFAOYSA-N 0 0 401.919 5.308 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1CSc1ccccc1 ZINC000224658482 568591066 /nfs/dbraw/zinc/59/10/66/568591066.db2.gz ZHYVGPUWKYVTDK-KRWDZBQOSA-N 0 0 409.526 6.008 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1CSc1ccccc1 ZINC000224658527 568591082 /nfs/dbraw/zinc/59/10/82/568591082.db2.gz ZHYVGPUWKYVTDK-QGZVFWFLSA-N 0 0 409.526 6.008 40 0 HKABRN CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1CSc1ccc(C)cc1 ZINC000224659741 568591119 /nfs/dbraw/zinc/59/11/19/568591119.db2.gz CFNZWISULVXQLW-UHFFFAOYSA-N 0 0 409.595 6.306 40 0 HKABRN CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)NCC(C)C)cc1 ZINC000224659797 568591064 /nfs/dbraw/zinc/59/10/64/568591064.db2.gz NHKWIQSQKGDQAG-VWLOTQADSA-N 0 0 422.613 5.070 40 0 HKABRN CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NCC(C)C)cc1 ZINC000224659836 568591111 /nfs/dbraw/zinc/59/11/11/568591111.db2.gz NHKWIQSQKGDQAG-RUZDIDTESA-N 0 0 422.613 5.070 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1CSc1ccc(C)cc1 ZINC000224659871 568591150 /nfs/dbraw/zinc/59/11/50/568591150.db2.gz AEHQCXASSAIBPY-UHFFFAOYSA-N 0 0 405.563 5.924 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1CSc1ccc(C)cc1 ZINC000224660140 568591093 /nfs/dbraw/zinc/59/10/93/568591093.db2.gz XHCRWJBNNYCFFK-UHFFFAOYSA-N 0 0 421.562 5.625 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1CSc1ccc(C)cc1 ZINC000224660207 568591126 /nfs/dbraw/zinc/59/11/26/568591126.db2.gz BJGVJHVRLCMFQR-IBGZPJMESA-N 0 0 405.563 6.177 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1CSc1ccc(C)cc1 ZINC000224660254 568591129 /nfs/dbraw/zinc/59/11/29/568591129.db2.gz BJGVJHVRLCMFQR-LJQANCHMSA-N 0 0 405.563 6.177 40 0 HKABRN CCOc1ccc(C(=O)NCCc2ccccc2)cc1CSc1ccc(C)cc1 ZINC000224660327 568591131 /nfs/dbraw/zinc/59/11/31/568591131.db2.gz UNMWGNVZXYGCEO-UHFFFAOYSA-N 0 0 405.563 5.659 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1CSc1ccc(C)cc1 ZINC000224661007 568591103 /nfs/dbraw/zinc/59/11/03/568591103.db2.gz OREJDOVCHONVBI-UHFFFAOYSA-N 0 0 405.563 6.555 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1CSc1ccc(C)cc1 ZINC000224661074 568591112 /nfs/dbraw/zinc/59/11/12/568591112.db2.gz JUNJJIVKJUGXMX-UHFFFAOYSA-N 0 0 405.563 6.555 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1CSc1ccc(C)cc1 ZINC000224661144 568591076 /nfs/dbraw/zinc/59/10/76/568591076.db2.gz LHKZXOVDXAGANX-UHFFFAOYSA-N 0 0 405.563 6.555 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1CSc1ccc(C)cc1 ZINC000224661228 568591144 /nfs/dbraw/zinc/59/11/44/568591144.db2.gz QFQOLBBNFCRDBC-UHFFFAOYSA-N 0 0 405.563 6.555 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1CSc1ccc(C)cc1 ZINC000224661299 568591124 /nfs/dbraw/zinc/59/11/24/568591124.db2.gz CKDCJMJCZBMHDO-UHFFFAOYSA-N 0 0 419.590 6.809 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1CSc1ccc(C)cc1 ZINC000224661359 568591142 /nfs/dbraw/zinc/59/11/42/568591142.db2.gz PINKGSHQJWAKDB-UHFFFAOYSA-N 0 0 405.563 6.555 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1CSc1ccc(C)cc1 ZINC000224661427 568591294 /nfs/dbraw/zinc/59/12/94/568591294.db2.gz QGTTVUAZIBVMPI-UHFFFAOYSA-N 0 0 405.563 6.555 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2CC)cc1CSc1ccc(C)cc1 ZINC000224661495 568591236 /nfs/dbraw/zinc/59/12/36/568591236.db2.gz ZKUUFRLSWHUAOF-UHFFFAOYSA-N 0 0 405.563 6.501 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1CSc1ccc(C)cc1 ZINC000224661561 568591301 /nfs/dbraw/zinc/59/13/01/568591301.db2.gz MSOUHWYOZLOATP-UHFFFAOYSA-N 0 0 405.563 6.501 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1CSc1ccc(C)cc1 ZINC000224661627 568591284 /nfs/dbraw/zinc/59/12/84/568591284.db2.gz CNGDCOPAAJAJHO-UHFFFAOYSA-N 0 0 419.590 7.062 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1CSc1ccc(C)cc1 ZINC000224661953 568591201 /nfs/dbraw/zinc/59/12/01/568591201.db2.gz QZPKZELTBDESRG-UHFFFAOYSA-N 0 0 411.954 6.592 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1CSc1ccc(C)cc1 ZINC000224662018 568591251 /nfs/dbraw/zinc/59/12/51/568591251.db2.gz IMDMDMVICOAHDO-UHFFFAOYSA-N 0 0 411.954 6.592 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1CSc1ccc(C)cc1 ZINC000224662084 568591258 /nfs/dbraw/zinc/59/12/58/568591258.db2.gz BAGZTMJOPODKMW-UHFFFAOYSA-N 0 0 411.954 6.592 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1CSc1ccc(C)cc1 ZINC000224663067 568591270 /nfs/dbraw/zinc/59/12/70/568591270.db2.gz CUFOOZDGVRLXIS-UHFFFAOYSA-N 0 0 413.489 6.217 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1CSc1ccc(C)cc1 ZINC000224663131 568591278 /nfs/dbraw/zinc/59/12/78/568591278.db2.gz FGUJGSVEPYFHIG-UHFFFAOYSA-N 0 0 413.489 6.217 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2OC)cc1CSc1ccc(C)cc1 ZINC000224663683 568591212 /nfs/dbraw/zinc/59/12/12/568591212.db2.gz BCENSTOGGMSAOQ-UHFFFAOYSA-N 0 0 407.535 5.947 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1CSc1ccc(C)cc1 ZINC000224663748 568591288 /nfs/dbraw/zinc/59/12/88/568591288.db2.gz LCLYUEMYUDSDGE-UHFFFAOYSA-N 0 0 407.535 5.947 40 0 HKABRN CCSc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1 ZINC000224663785 568591220 /nfs/dbraw/zinc/59/12/20/568591220.db2.gz ZXHRRMXHCQFQAH-HKWRFOASSA-N 0 0 406.507 5.110 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1CSc1ccc(C)cc1 ZINC000224663816 568591256 /nfs/dbraw/zinc/59/12/56/568591256.db2.gz KUKYQUVNIJDPGY-UHFFFAOYSA-N 0 0 407.535 5.947 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1CSc1ccc(C)cc1 ZINC000224663883 568591292 /nfs/dbraw/zinc/59/12/92/568591292.db2.gz UDXWHMJGXGREAP-UHFFFAOYSA-N 0 0 421.562 6.337 40 0 HKABRN CCOc1ccc(NC(=O)c2ccc(OCC)c(CSc3ccc(C)cc3)c2)cc1 ZINC000224663964 568591298 /nfs/dbraw/zinc/59/12/98/568591298.db2.gz HOMOUKZHUOHKBQ-UHFFFAOYSA-N 0 0 421.562 6.337 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1CSc1ccc(C)cc1 ZINC000224664365 568591426 /nfs/dbraw/zinc/59/14/26/568591426.db2.gz IIGFVFFXTCKIGH-UHFFFAOYSA-N 0 0 421.518 5.667 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1CSc1ccc(C)cc1 ZINC000224664493 568591381 /nfs/dbraw/zinc/59/13/81/568591381.db2.gz QZJKNZDZTLWKMF-UHFFFAOYSA-N 0 0 421.562 6.255 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1CSc1ccc(C)cc1 ZINC000224664694 568591363 /nfs/dbraw/zinc/59/13/63/568591363.db2.gz XRYQLELKZAWMCR-UHFFFAOYSA-N 0 0 423.603 6.660 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1CSc1ccc(C)cc1 ZINC000224664960 568591360 /nfs/dbraw/zinc/59/13/60/568591360.db2.gz GMDFRIIHIGLJPF-UHFFFAOYSA-N 0 0 420.534 5.037 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1CSc1ccc(C)cc1 ZINC000224665106 568591355 /nfs/dbraw/zinc/59/13/55/568591355.db2.gz FVPBOPJOTZDNDJ-UHFFFAOYSA-N 0 0 419.546 6.141 40 0 HKABRN CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1CSc1ccc(C)cc1 ZINC000224665384 568591401 /nfs/dbraw/zinc/59/14/01/568591401.db2.gz YRZCDVANWWHXGN-UHFFFAOYSA-N 0 0 405.563 5.958 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Br)cc1F ZINC000224665964 568591366 /nfs/dbraw/zinc/59/13/66/568591366.db2.gz DHKODXNMOPTQOB-LJQANCHMSA-N 0 0 406.295 5.263 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Br)cc1F ZINC000224666017 568591362 /nfs/dbraw/zinc/59/13/62/568591362.db2.gz DHKODXNMOPTQOB-IBGZPJMESA-N 0 0 406.295 5.263 40 0 HKABRN CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1CSc1ccc(C)cc1 ZINC000224666859 568591578 /nfs/dbraw/zinc/59/15/78/568591578.db2.gz XHEIMALYAGQFTQ-UHFFFAOYSA-N 0 0 417.574 5.885 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccccc2OC)cc1CSc1ccc(C)cc1 ZINC000224667002 568591537 /nfs/dbraw/zinc/59/15/37/568591537.db2.gz YAXVOGAIBHBCDC-UHFFFAOYSA-N 0 0 421.562 5.625 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2SC)cc1CSc1ccc(C)cc1 ZINC000224667443 568591542 /nfs/dbraw/zinc/59/15/42/568591542.db2.gz BJQHPVVEMIYOHT-UHFFFAOYSA-N 0 0 423.603 6.660 40 0 HKABRN CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1CSc1ccc(C)cc1 ZINC000224667631 568591575 /nfs/dbraw/zinc/59/15/75/568591575.db2.gz NSDHZRBLHSBBCI-UHFFFAOYSA-N 0 0 419.590 6.864 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCCCC2)cc1CSc1ccc(C)cc1 ZINC000224668489 568591497 /nfs/dbraw/zinc/59/14/97/568591497.db2.gz UDDXXBIDZCRARC-UHFFFAOYSA-N 0 0 411.611 6.529 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1CSc1ccc(C)cc1 ZINC000224669107 568591721 /nfs/dbraw/zinc/59/17/21/568591721.db2.gz PFSHUTALKQHHRV-UHFFFAOYSA-N 0 0 409.526 5.755 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1CSc1ccc(C)cc1 ZINC000224669169 568591700 /nfs/dbraw/zinc/59/17/00/568591700.db2.gz AVVOGRVWUGVSTF-SFHVURJKSA-N 0 0 423.553 6.316 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1CSc1ccc(C)cc1 ZINC000224669212 568591687 /nfs/dbraw/zinc/59/16/87/568591687.db2.gz AVVOGRVWUGVSTF-GOSISDBHSA-N 0 0 423.553 6.316 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCC2)cc1CSc1ccc(Cl)cc1 ZINC000224670247 568591723 /nfs/dbraw/zinc/59/17/23/568591723.db2.gz OSMGFESODHKIAE-UHFFFAOYSA-N 0 0 403.975 6.094 40 0 HKABRN CCOc1ccc(C(=O)NC2CCCCCC2)cc1CSc1ccc(Cl)cc1 ZINC000224670290 568591666 /nfs/dbraw/zinc/59/16/66/568591666.db2.gz NEGNYHATRJCTCR-UHFFFAOYSA-N 0 0 418.002 6.484 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccccc2)cc1CSc1ccc(Cl)cc1 ZINC000224670415 568591733 /nfs/dbraw/zinc/59/17/33/568591733.db2.gz QTCZHIVUSZHUJP-UHFFFAOYSA-N 0 0 411.954 5.961 40 0 HKABRN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(CSc2ccccc2)cc1 ZINC000224670482 568591716 /nfs/dbraw/zinc/59/17/16/568591716.db2.gz QMPPVUGILZMSKA-UHFFFAOYSA-N 0 0 401.453 5.928 40 0 HKABRN CCOc1ccc(C(=O)NCc2ccco2)cc1CSc1ccc(Cl)cc1 ZINC000224671117 568591675 /nfs/dbraw/zinc/59/16/75/568591675.db2.gz IABJGWUPFYWOKE-UHFFFAOYSA-N 0 0 401.915 5.554 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2C)cc1CSc1ccc(Cl)cc1 ZINC000224671365 568591843 /nfs/dbraw/zinc/59/18/43/568591843.db2.gz LQUIUFZKWAFUHI-UHFFFAOYSA-N 0 0 411.954 6.592 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1CSc1ccc(Cl)cc1 ZINC000224671430 568591830 /nfs/dbraw/zinc/59/18/30/568591830.db2.gz MFYMVXUQDBORLC-UHFFFAOYSA-N 0 0 411.954 6.592 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1CSc1ccc(Cl)cc1 ZINC000224671481 568591802 /nfs/dbraw/zinc/59/18/02/568591802.db2.gz APZSJRJOEMZBKT-UHFFFAOYSA-N 0 0 411.954 6.592 40 0 HKABRN CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224671579 568591852 /nfs/dbraw/zinc/59/18/52/568591852.db2.gz UHWLVJHUXCDCAW-NRFANRHFSA-N 0 0 420.597 5.048 40 0 HKABRN CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224671621 568591790 /nfs/dbraw/zinc/59/17/90/568591790.db2.gz UHWLVJHUXCDCAW-OAQYLSRUSA-N 0 0 420.597 5.048 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2F)cc1CSc1ccc(Cl)cc1 ZINC000224672303 568591794 /nfs/dbraw/zinc/59/17/94/568591794.db2.gz GJJOWQWFEOYPIA-UHFFFAOYSA-N 0 0 415.917 6.422 40 0 HKABRN CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1CSc1ccc(Cl)cc1 ZINC000224672373 568591828 /nfs/dbraw/zinc/59/18/28/568591828.db2.gz RQCDKHLQNLQBPB-UHFFFAOYSA-N 0 0 415.917 6.422 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1CSc1ccc(Cl)cc1 ZINC000224672440 568591812 /nfs/dbraw/zinc/59/18/12/568591812.db2.gz UEJOXTMTLHTJJG-UHFFFAOYSA-N 0 0 415.917 6.422 40 0 HKABRN CCOc1ccc(C(=O)N2CCC(C)CC2)cc1CSc1ccc(Cl)cc1 ZINC000224677230 568592014 /nfs/dbraw/zinc/59/20/14/568592014.db2.gz GLUHKISOTWBPPB-UHFFFAOYSA-N 0 0 403.975 5.903 40 0 HKABRN CCOc1ccc(C(=O)N2CCCCCC2)cc1CSc1ccc(Cl)cc1 ZINC000224677478 568592000 /nfs/dbraw/zinc/59/20/00/568592000.db2.gz RBCSDPNYEATWQF-UHFFFAOYSA-N 0 0 403.975 6.047 40 0 HKABRN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccccc1CCc1ccccc1 ZINC000224687435 568592302 /nfs/dbraw/zinc/59/23/02/568592302.db2.gz PXLUITVLFWLASN-UHFFFAOYSA-N 0 0 419.937 5.896 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1COC ZINC000224689675 568592290 /nfs/dbraw/zinc/59/22/90/568592290.db2.gz MERYBORYNUATGP-UHFFFAOYSA-N 0 0 411.885 5.930 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1COC ZINC000224690256 568592337 /nfs/dbraw/zinc/59/23/37/568592337.db2.gz PDZGNCACMGTGJV-UHFFFAOYSA-N 0 0 423.896 5.368 40 0 HKABRN CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224690642 568592346 /nfs/dbraw/zinc/59/23/46/568592346.db2.gz KIRNGMVCWCOWGI-UHFFFAOYSA-N 0 0 409.595 5.678 40 0 HKABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000224690835 568592332 /nfs/dbraw/zinc/59/23/32/568592332.db2.gz YOMQYWQURVNQJD-OAQYLSRUSA-N 0 0 422.613 5.169 40 0 HKABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000224690882 568592349 /nfs/dbraw/zinc/59/23/49/568592349.db2.gz YOMQYWQURVNQJD-NRFANRHFSA-N 0 0 422.613 5.169 40 0 HKABRN Cc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224692968 568592482 /nfs/dbraw/zinc/59/24/82/568592482.db2.gz DEUBLDZICAUKNN-QFIPXVFZSA-N 0 0 420.597 5.102 40 0 HKABRN Cc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224693020 568592459 /nfs/dbraw/zinc/59/24/59/568592459.db2.gz DEUBLDZICAUKNN-JOCHJYFZSA-N 0 0 420.597 5.102 40 0 HKABRN Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)cc1C ZINC000224694823 568592429 /nfs/dbraw/zinc/59/24/29/568592429.db2.gz IWMYXASOAXLUAK-QFIPXVFZSA-N 0 0 420.597 5.021 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccc4c(c3)CCCC4)ccc21 ZINC000224694842 568592412 /nfs/dbraw/zinc/59/24/12/568592412.db2.gz MTFXLHRHOIGSPI-GOSISDBHSA-N 0 0 412.533 6.099 40 0 HKABRN Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)cc1C ZINC000224694871 568592466 /nfs/dbraw/zinc/59/24/66/568592466.db2.gz IWMYXASOAXLUAK-JOCHJYFZSA-N 0 0 420.597 5.021 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccc4c(c3)CCCC4)ccc21 ZINC000224694891 568592480 /nfs/dbraw/zinc/59/24/80/568592480.db2.gz MTFXLHRHOIGSPI-SFHVURJKSA-N 0 0 412.533 6.099 40 0 HKABRN O=C(CCCSc1ccc(Cl)cc1)NCC1(c2ccccc2)CCOCC1 ZINC000224695243 568592415 /nfs/dbraw/zinc/59/24/15/568592415.db2.gz QZWRIWVVBNFLJL-UHFFFAOYSA-N 0 0 403.975 5.077 40 0 HKABRN CCOCc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1OCC ZINC000224695712 568592503 /nfs/dbraw/zinc/59/25/03/568592503.db2.gz STKWUHIFVCSCOK-UHFFFAOYSA-N 0 0 402.705 5.834 40 0 HKABRN CCOCc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OCC ZINC000224696242 568592635 /nfs/dbraw/zinc/59/26/35/568592635.db2.gz BRGVGWCRQQBZFA-UHFFFAOYSA-N 0 0 401.812 5.546 40 0 HKABRN CCOCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCC ZINC000224696314 568592658 /nfs/dbraw/zinc/59/26/58/568592658.db2.gz OQWSOGQYWMOYQD-UHFFFAOYSA-N 0 0 401.812 5.546 40 0 HKABRN CCOCc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCC ZINC000224696724 568592672 /nfs/dbraw/zinc/59/26/72/568592672.db2.gz YJZIWNSLTPUHIH-UHFFFAOYSA-N 0 0 405.494 5.453 40 0 HKABRN CCOCc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OCC ZINC000224698105 568592623 /nfs/dbraw/zinc/59/26/23/568592623.db2.gz OOILOUNVSLOWKW-UHFFFAOYSA-N 0 0 403.522 5.464 40 0 HKABRN Cc1ccc(C)c(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224698558 568592779 /nfs/dbraw/zinc/59/27/79/568592779.db2.gz KPDFVBCSCMBKLT-QFIPXVFZSA-N 0 0 420.597 5.021 40 0 HKABRN Cc1ccc(C)c(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000224698591 568592770 /nfs/dbraw/zinc/59/27/70/568592770.db2.gz KPDFVBCSCMBKLT-JOCHJYFZSA-N 0 0 420.597 5.021 40 0 HKABRN CCOCc1cc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1OCC ZINC000224700184 568592772 /nfs/dbraw/zinc/59/27/72/568592772.db2.gz OXKKLRSFJYRMJL-UHFFFAOYSA-N 0 0 407.535 6.025 40 0 HKABRN CCOCc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OCC ZINC000224700632 568592747 /nfs/dbraw/zinc/59/27/47/568592747.db2.gz FIFJRBFFFBKNIJ-UHFFFAOYSA-N 0 0 401.812 5.546 40 0 HKABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc21 ZINC000224701223 568592811 /nfs/dbraw/zinc/59/28/11/568592811.db2.gz DJIQWHGZLSZLMW-OAQYLSRUSA-N 0 0 416.565 5.024 40 0 HKABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc21 ZINC000224701263 568592800 /nfs/dbraw/zinc/59/28/00/568592800.db2.gz DJIQWHGZLSZLMW-NRFANRHFSA-N 0 0 416.565 5.024 40 0 HKABRN Cc1cc(C)cc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224704452 568593149 /nfs/dbraw/zinc/59/31/49/568593149.db2.gz PNWISRZUJIAUCL-QFIPXVFZSA-N 0 0 420.597 5.021 40 0 HKABRN Cc1cc(C)cc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000224704498 568593118 /nfs/dbraw/zinc/59/31/18/568593118.db2.gz PNWISRZUJIAUCL-JOCHJYFZSA-N 0 0 420.597 5.021 40 0 HKABRN CCCOCc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1OCC ZINC000224706224 568593046 /nfs/dbraw/zinc/59/30/46/568593046.db2.gz WDEMIIZXZVSESD-UHFFFAOYSA-N 0 0 416.732 6.224 40 0 HKABRN CCCOCc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1OCC ZINC000224706416 568593227 /nfs/dbraw/zinc/59/32/27/568593227.db2.gz WIRLQAZOIRAQGC-UHFFFAOYSA-N 0 0 410.283 5.166 40 0 HKABRN CCCOCc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OCC ZINC000224706719 568593296 /nfs/dbraw/zinc/59/32/96/568593296.db2.gz NULDIWGOGLOLJT-UHFFFAOYSA-N 0 0 415.839 5.936 40 0 HKABRN CCCOCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCC ZINC000224706782 568593312 /nfs/dbraw/zinc/59/33/12/568593312.db2.gz IFIPBQKYKOFKJC-UHFFFAOYSA-N 0 0 415.839 5.936 40 0 HKABRN O=C(COc1ccc2c(c1)CCCC2)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000224707139 568593214 /nfs/dbraw/zinc/59/32/14/568593214.db2.gz UJLYDBCGVTWDRY-HSZRJFAPSA-N 0 0 405.538 5.287 40 0 HKABRN CCCOCc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCC ZINC000224707170 568593318 /nfs/dbraw/zinc/59/33/18/568593318.db2.gz LZYNLKCUJSBYEM-UHFFFAOYSA-N 0 0 419.521 5.843 40 0 HKABRN O=C(COc1ccc2c(c1)CCCC2)N[C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000224707181 568593300 /nfs/dbraw/zinc/59/33/00/568593300.db2.gz UJLYDBCGVTWDRY-QHCPKHFHSA-N 0 0 405.538 5.287 40 0 HKABRN CCCOCc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OCC ZINC000224707239 568593259 /nfs/dbraw/zinc/59/32/59/568593259.db2.gz LJLJNZSVAUFZTC-UHFFFAOYSA-N 0 0 405.494 6.057 40 0 HKABRN CCCOCc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OCC ZINC000224708555 568593242 /nfs/dbraw/zinc/59/32/42/568593242.db2.gz FLVBMXVRZBIAOD-UHFFFAOYSA-N 0 0 417.549 5.855 40 0 HKABRN CCCOCc1cc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1OCC ZINC000224710501 568593193 /nfs/dbraw/zinc/59/31/93/568593193.db2.gz TUQHHCCNGKMYAK-UHFFFAOYSA-N 0 0 421.562 6.415 40 0 HKABRN CCCOCc1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1OCC ZINC000224710916 568593248 /nfs/dbraw/zinc/59/32/48/568593248.db2.gz JASRPNCQEAYPTQ-UHFFFAOYSA-N 0 0 405.494 6.057 40 0 HKABRN CCCOCc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OCC ZINC000224710977 568593410 /nfs/dbraw/zinc/59/34/10/568593410.db2.gz PUEQCSFZXCTJRE-UHFFFAOYSA-N 0 0 415.839 5.936 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COCCC)c2)cc1 ZINC000224711117 568593468 /nfs/dbraw/zinc/59/34/68/568593468.db2.gz ZPZNPUKNIVPOGB-UHFFFAOYSA-N 0 0 413.514 5.221 40 0 HKABRN CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224711507 568593362 /nfs/dbraw/zinc/59/33/62/568593362.db2.gz IZMKPLSOVCHKNJ-UHFFFAOYSA-N 0 0 401.915 5.134 40 0 HKABRN CCCOCc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1OCC ZINC000224711615 568593419 /nfs/dbraw/zinc/59/34/19/568593419.db2.gz VXCOYYXXSQOUIL-UHFFFAOYSA-N 0 0 403.522 5.531 40 0 HKABRN CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224712953 568593477 /nfs/dbraw/zinc/59/34/77/568593477.db2.gz IYLCBSZCJVVAGZ-UHFFFAOYSA-N 0 0 415.986 5.633 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1COC(C)C ZINC000224716631 568593372 /nfs/dbraw/zinc/59/33/72/568593372.db2.gz FBNRMLRXALQVPP-UHFFFAOYSA-N 0 0 416.732 6.223 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1COC(C)C ZINC000224716848 568593486 /nfs/dbraw/zinc/59/34/86/568593486.db2.gz WOFVMHSDXUGLAG-UHFFFAOYSA-N 0 0 410.283 5.164 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1COC(C)C ZINC000224717182 568593480 /nfs/dbraw/zinc/59/34/80/568593480.db2.gz LEMLWICRKZTOCZ-UHFFFAOYSA-N 0 0 415.839 5.935 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1COC(C)C ZINC000224717242 568593360 /nfs/dbraw/zinc/59/33/60/568593360.db2.gz KYNLRSXIEGHFJD-UHFFFAOYSA-N 0 0 415.839 5.935 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1COC(C)C ZINC000224717670 568593489 /nfs/dbraw/zinc/59/34/89/568593489.db2.gz FZYNUUUPHBAPRA-UHFFFAOYSA-N 0 0 419.521 5.842 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1COC(C)C ZINC000224717733 568593474 /nfs/dbraw/zinc/59/34/74/568593474.db2.gz DBGRQGZXLGPDPC-UHFFFAOYSA-N 0 0 405.494 6.055 40 0 HKABRN CCOc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1COC(C)C ZINC000224719133 568593633 /nfs/dbraw/zinc/59/36/33/568593633.db2.gz UNHRZNFONCFMBH-UHFFFAOYSA-N 0 0 417.549 5.853 40 0 HKABRN Cc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224720352 568593630 /nfs/dbraw/zinc/59/36/30/568593630.db2.gz KSUJPEYYGNCAPS-QFIPXVFZSA-N 0 0 420.597 5.102 40 0 HKABRN Cc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224720381 568593592 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/nfs/dbraw/zinc/59/53/85/568595385.db2.gz PCADQNFDFSIFFE-SFHVURJKSA-N 0 0 423.940 5.947 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COCc1ccccc1 ZINC000224753948 568595398 /nfs/dbraw/zinc/59/53/98/568595398.db2.gz PCADQNFDFSIFFE-GOSISDBHSA-N 0 0 423.940 5.947 40 0 HKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COCc1ccccc1 ZINC000224754158 568595308 /nfs/dbraw/zinc/59/53/08/568595308.db2.gz WFYMBBKRFDFLQN-SFHVURJKSA-N 0 0 407.485 5.432 40 0 HKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COCc1ccccc1 ZINC000224754205 568595377 /nfs/dbraw/zinc/59/53/77/568595377.db2.gz WFYMBBKRFDFLQN-GOSISDBHSA-N 0 0 407.485 5.432 40 0 HKABRN Cc1ccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224758650 568595567 /nfs/dbraw/zinc/59/55/67/568595567.db2.gz FEMGLKGWPUNMQB-QFIPXVFZSA-N 0 0 420.597 5.021 40 0 HKABRN Cc1ccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224758693 568595530 /nfs/dbraw/zinc/59/55/30/568595530.db2.gz FEMGLKGWPUNMQB-JOCHJYFZSA-N 0 0 420.597 5.021 40 0 HKABRN COc1ccccc1Oc1ccc(Cl)cc1NC(=O)Cc1ccc(Cl)cc1F ZINC000224761030 568595708 /nfs/dbraw/zinc/59/57/08/568595708.db2.gz OKUJAKLTYANDNX-UHFFFAOYSA-N 0 0 420.267 6.115 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(SCC(C)C)s1 ZINC000224763442 568595724 /nfs/dbraw/zinc/59/57/24/568595724.db2.gz KSYPXOPXNOHPNU-CYBMUJFWSA-N 0 0 402.010 5.449 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(SCC(C)C)s1 ZINC000224763490 568595674 /nfs/dbraw/zinc/59/56/74/568595674.db2.gz KSYPXOPXNOHPNU-ZDUSSCGKSA-N 0 0 402.010 5.449 40 0 HKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000224763643 568595745 /nfs/dbraw/zinc/59/57/45/568595745.db2.gz IAEAAKUINSGNSY-OAQYLSRUSA-N 0 0 422.613 5.169 40 0 HKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000224763684 568595771 /nfs/dbraw/zinc/59/57/71/568595771.db2.gz IAEAAKUINSGNSY-NRFANRHFSA-N 0 0 422.613 5.169 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1Cl ZINC000224764473 568595934 /nfs/dbraw/zinc/59/59/34/568595934.db2.gz YBQMPCCZWCWARB-UHFFFAOYSA-N 0 0 402.277 6.437 40 0 HKABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc21 ZINC000224773722 568596251 /nfs/dbraw/zinc/59/62/51/568596251.db2.gz PPJKJBGQNBFYLN-OAQYLSRUSA-N 0 0 416.565 5.024 40 0 HKABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc21 ZINC000224773766 568596205 /nfs/dbraw/zinc/59/62/05/568596205.db2.gz PPJKJBGQNBFYLN-NRFANRHFSA-N 0 0 416.565 5.024 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)NC(C)(C)Cc2ccccc2)c(Br)c1 ZINC000224774533 568596232 /nfs/dbraw/zinc/59/62/32/568596232.db2.gz LGVAVWKFDHYIKV-UHFFFAOYSA-N 0 0 418.375 5.263 40 0 HKABRN CCSc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C ZINC000224779842 568596593 /nfs/dbraw/zinc/59/65/93/568596593.db2.gz SDFUJSBPGRIBJD-HKWRFOASSA-N 0 0 422.575 5.578 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1 ZINC000224781267 568596594 /nfs/dbraw/zinc/59/65/94/568596594.db2.gz LNWCNSXOVUVMNL-UHFFFAOYSA-N 0 0 409.910 5.308 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)c1 ZINC000224783999 568596602 /nfs/dbraw/zinc/59/66/02/568596602.db2.gz UZUHUEXKWIWRGF-JOCHJYFZSA-N 0 0 407.554 5.840 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)c1 ZINC000224784044 568596608 /nfs/dbraw/zinc/59/66/08/568596608.db2.gz UZUHUEXKWIWRGF-QFIPXVFZSA-N 0 0 407.554 5.840 40 0 HKABRN CCOc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1Cl ZINC000224798635 568597157 /nfs/dbraw/zinc/59/71/57/568597157.db2.gz NZIYLHKYWLOMEK-UHFFFAOYSA-N 0 0 418.773 5.709 40 0 HKABRN Cc1ccc(-c2nnc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000224803416 568597612 /nfs/dbraw/zinc/59/76/12/568597612.db2.gz DYFWNVBHEOEESX-UHFFFAOYSA-N 0 0 424.378 5.692 40 0 HKABRN COc1ccc(-c2nnc(NC(=O)CCCSc3ccc(Cl)cc3)s2)cc1 ZINC000224804141 568597706 /nfs/dbraw/zinc/59/77/06/568597706.db2.gz RETOOJMYAWHGDY-UHFFFAOYSA-N 0 0 419.959 5.378 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1)c1ccc(C)cc1C ZINC000224811680 568598089 /nfs/dbraw/zinc/59/80/89/568598089.db2.gz MUCIMXCGZAAFRA-KDYMBEQYSA-N 0 0 416.521 5.243 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1)c1ccc(C)cc1C ZINC000224811725 568598072 /nfs/dbraw/zinc/59/80/72/568598072.db2.gz MUCIMXCGZAAFRA-VNLJKWRZSA-N 0 0 416.521 5.243 40 0 HKABRN O=C(c1ccc(Cl)cc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000224813918 568598228 /nfs/dbraw/zinc/59/82/28/568598228.db2.gz FLKQZSMWAQRAAJ-UHFFFAOYSA-N 0 0 408.904 5.027 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)Nc3nnc(SC(C)C)s3)cc2)cc1 ZINC000224819184 568598441 /nfs/dbraw/zinc/59/84/41/568598441.db2.gz DKELJJHQLLSIAT-UHFFFAOYSA-N 0 0 415.609 5.892 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000224823361 568598696 /nfs/dbraw/zinc/59/86/96/568598696.db2.gz JZNPVJNSGSKSQT-NHCUHLMSSA-N 0 0 415.961 6.005 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000224823410 568598627 /nfs/dbraw/zinc/59/86/27/568598627.db2.gz JZNPVJNSGSKSQT-RTWAWAEBSA-N 0 0 415.961 6.005 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 ZINC000224823459 568598643 /nfs/dbraw/zinc/59/86/43/568598643.db2.gz JZNPVJNSGSKSQT-LEWJYISDSA-N 0 0 415.961 6.005 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 ZINC000224823502 568598684 /nfs/dbraw/zinc/59/86/84/568598684.db2.gz JZNPVJNSGSKSQT-SFTDATJTSA-N 0 0 415.961 6.005 40 0 HKABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000224827837 568598867 /nfs/dbraw/zinc/59/88/67/568598867.db2.gz UTPXUIAMHFDNDN-NTKDMRAZSA-N 0 0 419.565 5.676 40 0 HKABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000224827884 568598791 /nfs/dbraw/zinc/59/87/91/568598791.db2.gz UTPXUIAMHFDNDN-YADARESESA-N 0 0 419.565 5.676 40 0 HKABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000224827926 568598847 /nfs/dbraw/zinc/59/88/47/568598847.db2.gz UTPXUIAMHFDNDN-DVECYGJZSA-N 0 0 419.565 5.676 40 0 HKABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000224827969 568598949 /nfs/dbraw/zinc/59/89/49/568598949.db2.gz UTPXUIAMHFDNDN-CYFREDJKSA-N 0 0 419.565 5.676 40 0 HKABRN CC[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(OC)c(C)c1 ZINC000224833445 568599127 /nfs/dbraw/zinc/59/91/27/568599127.db2.gz YOAWTMGUAUASAT-JOCHJYFZSA-N 0 0 405.563 6.177 40 0 HKABRN CC[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(OC)c(C)c1 ZINC000224833488 568599106 /nfs/dbraw/zinc/59/91/06/568599106.db2.gz YOAWTMGUAUASAT-QFIPXVFZSA-N 0 0 405.563 6.177 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C ZINC000224834249 568599093 /nfs/dbraw/zinc/59/90/93/568599093.db2.gz IASVJNMAEDFERZ-UHFFFAOYSA-N 0 0 416.521 5.806 40 0 HKABRN O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccccc1Sc1ccccc1 ZINC000224841862 568599787 /nfs/dbraw/zinc/59/97/87/568599787.db2.gz UFLAWPAJPGTJDG-UHFFFAOYSA-N 0 0 400.503 6.064 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(Cl)cc3F)c2)cc1 ZINC000224842212 568599712 /nfs/dbraw/zinc/59/97/12/568599712.db2.gz FCGXBRZIXQBZSL-UHFFFAOYSA-N 0 0 409.888 6.260 40 0 HKABRN CSc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 ZINC000224845946 568599998 /nfs/dbraw/zinc/59/99/98/568599998.db2.gz GGKINUHIXYMZSD-RGEXLXHISA-N 0 0 408.548 5.188 40 0 HKABRN COc1cccc(-c2cnc(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)c1 ZINC000224846643 568599962 /nfs/dbraw/zinc/59/99/62/568599962.db2.gz DBVYKGBHJPZPAY-UHFFFAOYSA-N 0 0 424.806 5.594 40 0 HKABRN COc1cccc(-c2cnc(CCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)c1 ZINC000224846696 568599975 /nfs/dbraw/zinc/59/99/75/568599975.db2.gz DCNLHIYJEXCEST-UHFFFAOYSA-N 0 0 424.806 5.594 40 0 HKABRN COc1cccc(-c2cnc(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)o2)c1 ZINC000224847131 568599969 /nfs/dbraw/zinc/59/99/69/568599969.db2.gz VTFKVARNVDGRNU-UHFFFAOYSA-N 0 0 414.461 5.714 40 0 HKABRN COc1cccc(-c2cnc(CCC(=O)Nc3ccccc3Oc3ccccc3)o2)c1 ZINC000224850482 568600246 /nfs/dbraw/zinc/60/02/46/568600246.db2.gz YJBCRPMYYRCDJT-UHFFFAOYSA-N 0 0 414.461 5.714 40 0 HKABRN COc1cccc(-c2cnc(CCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)o2)c1 ZINC000224850543 568600144 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COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)o2)cc1 ZINC000224854059 568600488 /nfs/dbraw/zinc/60/04/88/568600488.db2.gz YCUVHQBDQBSJFK-UHFFFAOYSA-N 0 0 424.806 5.594 40 0 HKABRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000224854968 568600737 /nfs/dbraw/zinc/60/07/37/568600737.db2.gz BOYWXCHSVJWYQD-UHFFFAOYSA-N 0 0 403.425 6.130 40 0 HKABRN O=C(Nc1ccc(OC(F)(F)F)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000224855507 568600714 /nfs/dbraw/zinc/60/07/14/568600714.db2.gz JJZPXBCBWLKYQC-XMHGGMMESA-N 0 0 417.814 6.418 40 0 HKABRN COc1ccc(/C=C(/C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2)cc1 ZINC000224855626 568600729 /nfs/dbraw/zinc/60/07/29/568600729.db2.gz DUNXQOIIMWVSBY-RCCKNPSSSA-N 0 0 413.395 5.773 40 0 HKABRN CCOc1ccc(-c2cnc(CCC(=O)NCc3ccc(Cl)cc3Cl)o2)cc1 ZINC000224855713 568600744 /nfs/dbraw/zinc/60/07/44/568600744.db2.gz UMOZQBNSRBVROH-UHFFFAOYSA-N 0 0 419.308 5.296 40 0 HKABRN O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(OC(F)(F)F)cc1 ZINC000224855978 568600597 /nfs/dbraw/zinc/60/05/97/568600597.db2.gz 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/nfs/dbraw/zinc/60/23/16/568602316.db2.gz KNUFAAPHRPLXPT-UHFFFAOYSA-N 0 0 405.679 5.329 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 ZINC000224885675 568602364 /nfs/dbraw/zinc/60/23/64/568602364.db2.gz GJESYAUUGATDDJ-UHFFFAOYSA-N 0 0 419.706 5.637 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 ZINC000224885719 568602345 /nfs/dbraw/zinc/60/23/45/568602345.db2.gz KAYWQRFLCJOLBD-UHFFFAOYSA-N 0 0 419.706 5.637 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 ZINC000224885776 568602366 /nfs/dbraw/zinc/60/23/66/568602366.db2.gz RTIKBMIBXMJTIL-UHFFFAOYSA-N 0 0 419.706 5.637 40 0 HKABRN Cc1ccc(NC(=O)CCc2ncc(-c3cccc(Br)c3)o2)cc1Cl ZINC000224885842 568602355 /nfs/dbraw/zinc/60/23/55/568602355.db2.gz FCBMGGPQCNKKDQ-UHFFFAOYSA-N 0 0 419.706 5.637 40 0 HKABRN O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1ccc(F)c(Cl)c1 ZINC000224886428 568602340 /nfs/dbraw/zinc/60/23/40/568602340.db2.gz YYPMTRRKGYHQDA-UHFFFAOYSA-N 0 0 423.669 5.468 40 0 HKABRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000224886474 568602350 /nfs/dbraw/zinc/60/23/50/568602350.db2.gz QEWZWCFVXJQNMQ-UHFFFAOYSA-N 0 0 421.802 6.070 40 0 HKABRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000224886595 568602378 /nfs/dbraw/zinc/60/23/78/568602378.db2.gz HZYDIGJXVCPSLP-UHFFFAOYSA-N 0 0 421.802 6.070 40 0 HKABRN CCOc1ccccc1NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 ZINC000224886946 568602339 /nfs/dbraw/zinc/60/23/39/568602339.db2.gz LFGHHDZCNSHTDV-UHFFFAOYSA-N 0 0 415.287 5.074 40 0 HKABRN CCOc1ccc(NC(=O)CCc2ncc(-c3cccc(Br)c3)o2)cc1 ZINC000224887002 568602371 /nfs/dbraw/zinc/60/23/71/568602371.db2.gz HBZJEHJMNQPUOS-UHFFFAOYSA-N 0 0 415.287 5.074 40 0 HKABRN COc1cccc(Oc2ccc(Cl)cc2NC(=O)Cc2ccc(OC)c(C)c2)c1 ZINC000224887429 568602331 /nfs/dbraw/zinc/60/23/31/568602331.db2.gz HDBCYVGZZMOFID-UHFFFAOYSA-N 0 0 411.885 5.639 40 0 HKABRN CSc1cccc(NC(=O)CCc2ncc(-c3cccc(Br)c3)o2)c1 ZINC000224887624 568602348 /nfs/dbraw/zinc/60/23/48/568602348.db2.gz BCTSHEZZLFFPTH-UHFFFAOYSA-N 0 0 417.328 5.397 40 0 HKABRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)ccc1F ZINC000224888911 568602435 /nfs/dbraw/zinc/60/24/35/568602435.db2.gz GNKGWPJWCIJMOJ-ROUUACIJSA-N 0 0 403.935 5.421 40 0 HKABRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)ccc1F ZINC000224888955 568602536 /nfs/dbraw/zinc/60/25/36/568602536.db2.gz GNKGWPJWCIJMOJ-MSOLQXFVSA-N 0 0 403.935 5.421 40 0 HKABRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)ccc1F ZINC000224888989 568602457 /nfs/dbraw/zinc/60/24/57/568602457.db2.gz GNKGWPJWCIJMOJ-ZWKOTPCHSA-N 0 0 403.935 5.421 40 0 HKABRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)ccc1F ZINC000224889033 568602468 /nfs/dbraw/zinc/60/24/68/568602468.db2.gz GNKGWPJWCIJMOJ-QZTJIDSGSA-N 0 0 403.935 5.421 40 0 HKABRN CSc1ccccc1NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 ZINC000224889979 568602575 /nfs/dbraw/zinc/60/25/75/568602575.db2.gz MTZRZCWFWAVPKW-UHFFFAOYSA-N 0 0 417.328 5.397 40 0 HKABRN Cc1cc(C)c(NC(=O)CCc2ncc(-c3cccc(Br)c3)o2)c(C)c1 ZINC000224890148 568602504 /nfs/dbraw/zinc/60/25/04/568602504.db2.gz KRVBMMWYMZAISI-UHFFFAOYSA-N 0 0 413.315 5.601 40 0 HKABRN O=C(CCc1ncc(-c2cccc(Br)c2)o1)NC1CCCCCCC1 ZINC000224890941 568602570 /nfs/dbraw/zinc/60/25/70/568602570.db2.gz DCXQUJRGQGDMBR-UHFFFAOYSA-N 0 0 405.336 5.266 40 0 HKABRN C[C@@H](NC(=O)CCc1ncc(-c2cccc(Br)c2)o1)c1ccc(F)cc1 ZINC000224891525 568602520 /nfs/dbraw/zinc/60/25/20/568602520.db2.gz RWAFWULDGCUHAZ-CYBMUJFWSA-N 0 0 417.278 5.053 40 0 HKABRN C[C@H](NC(=O)CCc1ncc(-c2cccc(Br)c2)o1)c1ccc(F)cc1 ZINC000224891562 568602465 /nfs/dbraw/zinc/60/24/65/568602465.db2.gz RWAFWULDGCUHAZ-ZDUSSCGKSA-N 0 0 417.278 5.053 40 0 HKABRN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(Oc2ccccc2)cc1 ZINC000224891915 568602507 /nfs/dbraw/zinc/60/25/07/568602507.db2.gz DODSJXHUKSFPJN-UHFFFAOYSA-N 0 0 418.880 6.359 40 0 HKABRN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1Oc1ccccc1 ZINC000224892233 568602542 /nfs/dbraw/zinc/60/25/42/568602542.db2.gz NCFCUDJEDAMXKS-UHFFFAOYSA-N 0 0 418.880 6.359 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1C1CC1 ZINC000224892799 568602627 /nfs/dbraw/zinc/60/26/27/568602627.db2.gz NKBRBGPPHZONFC-DHIUTWEWSA-N 0 0 420.557 5.459 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1C1CC1 ZINC000224892837 568602670 /nfs/dbraw/zinc/60/26/70/568602670.db2.gz NKBRBGPPHZONFC-PKTZIBPZSA-N 0 0 420.557 5.459 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1C1CC1 ZINC000224892869 568602685 /nfs/dbraw/zinc/60/26/85/568602685.db2.gz NKBRBGPPHZONFC-XZOQPEGZSA-N 0 0 420.557 5.459 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1C1CC1 ZINC000224892903 568602743 /nfs/dbraw/zinc/60/27/43/568602743.db2.gz NKBRBGPPHZONFC-GOTSBHOMSA-N 0 0 420.557 5.459 40 0 HKABRN O=C(NCc1ccc(Cl)cc1Cl)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000224892904 568602610 /nfs/dbraw/zinc/60/26/10/568602610.db2.gz BQGCFLSDVIYHEL-UHFFFAOYSA-N 0 0 423.299 6.245 40 0 HKABRN O=C(Nc1cccc(Br)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000224893440 568602715 /nfs/dbraw/zinc/60/27/15/568602715.db2.gz DXXYZSTUWSDNRJ-UHFFFAOYSA-N 0 0 419.278 6.023 40 0 HKABRN O=C(Nc1ccc(Br)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000224893491 568602607 /nfs/dbraw/zinc/60/26/07/568602607.db2.gz OLMACHNEXGRAOK-UHFFFAOYSA-N 0 0 419.278 6.023 40 0 HKABRN O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000224893729 568602602 /nfs/dbraw/zinc/60/26/02/568602602.db2.gz YNODITOWNNBDAY-UHFFFAOYSA-N 0 0 409.272 6.568 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000224893790 568602673 /nfs/dbraw/zinc/60/26/73/568602673.db2.gz YAQXCFNUTSQECU-UHFFFAOYSA-N 0 0 409.272 6.568 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000224893847 568602682 /nfs/dbraw/zinc/60/26/82/568602682.db2.gz BELFODJUSVLIHI-UHFFFAOYSA-N 0 0 409.272 6.568 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000224893913 568602580 /nfs/dbraw/zinc/60/25/80/568602580.db2.gz QNUKAEZDDVJKDD-UHFFFAOYSA-N 0 0 409.272 6.568 40 0 HKABRN O=C(Nc1ccccc1C(F)(F)F)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000224894159 568602700 /nfs/dbraw/zinc/60/27/00/568602700.db2.gz XINWYFRUCOXYFG-UHFFFAOYSA-N 0 0 408.379 6.280 40 0 HKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000224894222 568602731 /nfs/dbraw/zinc/60/27/31/568602731.db2.gz IWNOFVIQKIPKBF-UHFFFAOYSA-N 0 0 408.379 6.280 40 0 HKABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000224894283 568602667 /nfs/dbraw/zinc/60/26/67/568602667.db2.gz DUTAODMBFGQJGI-UHFFFAOYSA-N 0 0 408.379 6.280 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 ZINC000224894669 568602734 /nfs/dbraw/zinc/60/27/34/568602734.db2.gz UHQPHGFTGGDDIK-UHFFFAOYSA-N 0 0 412.445 5.438 40 0 HKABRN CCCSc1nnc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)s1 ZINC000224894737 568602677 /nfs/dbraw/zinc/60/26/77/568602677.db2.gz DESXKDKMLAXUFS-UHFFFAOYSA-N 0 0 415.609 5.893 40 0 HKABRN O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCC(Cc2ccccc2)CC1 ZINC000224894908 568602709 /nfs/dbraw/zinc/60/27/09/568602709.db2.gz VJOJJSFOCISLTN-UHFFFAOYSA-N 0 0 422.528 6.104 40 0 HKABRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)ccc1F ZINC000224895210 568602694 /nfs/dbraw/zinc/60/26/94/568602694.db2.gz RWOLTZBGRZVNNJ-GOTSBHOMSA-N 0 0 420.557 5.623 40 0 HKABRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)ccc1F ZINC000224895252 568602633 /nfs/dbraw/zinc/60/26/33/568602633.db2.gz RWOLTZBGRZVNNJ-PKTZIBPZSA-N 0 0 420.557 5.623 40 0 HKABRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)ccc1F ZINC000224895289 568602647 /nfs/dbraw/zinc/60/26/47/568602647.db2.gz RWOLTZBGRZVNNJ-XZOQPEGZSA-N 0 0 420.557 5.623 40 0 HKABRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)ccc1F ZINC000224895329 568602809 /nfs/dbraw/zinc/60/28/09/568602809.db2.gz RWOLTZBGRZVNNJ-DHIUTWEWSA-N 0 0 420.557 5.623 40 0 HKABRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)ccc1F ZINC000224895382 568602849 /nfs/dbraw/zinc/60/28/49/568602849.db2.gz NXCNZGFHFXPDKT-SFTDATJTSA-N 0 0 408.546 5.263 40 0 HKABRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)ccc1F ZINC000224895422 568602777 /nfs/dbraw/zinc/60/27/77/568602777.db2.gz NXCNZGFHFXPDKT-RTWAWAEBSA-N 0 0 408.546 5.263 40 0 HKABRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)ccc1F ZINC000224895460 568602768 /nfs/dbraw/zinc/60/27/68/568602768.db2.gz NXCNZGFHFXPDKT-LEWJYISDSA-N 0 0 408.546 5.263 40 0 HKABRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)ccc1F ZINC000224895500 568602774 /nfs/dbraw/zinc/60/27/74/568602774.db2.gz NXCNZGFHFXPDKT-NHCUHLMSSA-N 0 0 408.546 5.263 40 0 HKABRN CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C ZINC000224896084 568602870 /nfs/dbraw/zinc/60/28/70/568602870.db2.gz HJYRBYWUHCMCRZ-FGZHOGPDSA-N 0 0 408.546 5.144 40 0 HKABRN CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C ZINC000224896127 568602847 /nfs/dbraw/zinc/60/28/47/568602847.db2.gz HJYRBYWUHCMCRZ-YADHBBJMSA-N 0 0 408.546 5.144 40 0 HKABRN CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C ZINC000224896168 568602819 /nfs/dbraw/zinc/60/28/19/568602819.db2.gz HJYRBYWUHCMCRZ-FCHUYYIVSA-N 0 0 408.546 5.144 40 0 HKABRN CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C ZINC000224896209 568602829 /nfs/dbraw/zinc/60/28/29/568602829.db2.gz HJYRBYWUHCMCRZ-VXKWHMMOSA-N 0 0 408.546 5.144 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1C(C)C ZINC000224896276 568602766 /nfs/dbraw/zinc/60/27/66/568602766.db2.gz SFXMQEWMISGUCF-DHIUTWEWSA-N 0 0 422.573 5.705 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1C(C)C ZINC000224896311 568602792 /nfs/dbraw/zinc/60/27/92/568602792.db2.gz SFXMQEWMISGUCF-PKTZIBPZSA-N 0 0 422.573 5.705 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1C(C)C ZINC000224896350 568602762 /nfs/dbraw/zinc/60/27/62/568602762.db2.gz SFXMQEWMISGUCF-XZOQPEGZSA-N 0 0 422.573 5.705 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1C(C)C ZINC000224896387 568602868 /nfs/dbraw/zinc/60/28/68/568602868.db2.gz SFXMQEWMISGUCF-GOTSBHOMSA-N 0 0 422.573 5.705 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000224896530 568602803 /nfs/dbraw/zinc/60/28/03/568602803.db2.gz JGTHDTLVPTURBI-MRXNPFEDSA-N 0 0 402.881 6.153 40 0 HKABRN C[C@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000224896570 568602771 /nfs/dbraw/zinc/60/27/71/568602771.db2.gz JGTHDTLVPTURBI-INIZCTEOSA-N 0 0 402.881 6.153 40 0 HKABRN COc1cccc(-c2cnc(-c3ccccc3C(=O)NCCC3=CCCCC3)o2)c1 ZINC000224897560 568602806 /nfs/dbraw/zinc/60/28/06/568602806.db2.gz IMYCNJVWOCDLJA-UHFFFAOYSA-N 0 0 402.494 5.638 40 0 HKABRN COc1cccc(-c2cnc(-c3ccccc3C(=O)NCc3ccccc3Cl)o2)c1 ZINC000224897730 568602769 /nfs/dbraw/zinc/60/27/69/568602769.db2.gz CGROVTOWQHQBHB-UHFFFAOYSA-N 0 0 418.880 5.601 40 0 HKABRN COc1cccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(Cl)cc3)o2)c1 ZINC000224897781 568602772 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/nfs/dbraw/zinc/60/46/38/568604638.db2.gz WNFVMANHOIFHIW-UHFFFAOYSA-N 0 0 414.461 5.587 40 0 HKABRN COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3F)o2)c(OC)c1 ZINC000224931773 568604647 /nfs/dbraw/zinc/60/46/47/568604647.db2.gz SIOSNEMYHDVQLL-UHFFFAOYSA-N 0 0 418.424 5.417 40 0 HKABRN COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(F)c3)o2)c(OC)c1 ZINC000224931830 568604679 /nfs/dbraw/zinc/60/46/79/568604679.db2.gz PFZPWQXGJXKGKZ-UHFFFAOYSA-N 0 0 418.424 5.417 40 0 HKABRN COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(F)cc3)o2)c(OC)c1 ZINC000224931881 568604676 /nfs/dbraw/zinc/60/46/76/568604676.db2.gz QFRCYWARYVQYNR-UHFFFAOYSA-N 0 0 418.424 5.417 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccccc1Cl ZINC000224932611 568604655 /nfs/dbraw/zinc/60/46/55/568604655.db2.gz SZUMMJHGLBRYPN-JOCHJYFZSA-N 0 0 418.002 5.426 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccccc1Cl ZINC000224932652 568604661 /nfs/dbraw/zinc/60/46/61/568604661.db2.gz SZUMMJHGLBRYPN-QFIPXVFZSA-N 0 0 418.002 5.426 40 0 HKABRN COc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(Cl)cc1F)CC(C)(C)O2 ZINC000224932885 568604641 /nfs/dbraw/zinc/60/46/41/568604641.db2.gz SLKHKKKPTYXAOL-SFHVURJKSA-N 0 0 423.937 5.140 40 0 HKABRN COc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc(Cl)cc1F)CC(C)(C)O2 ZINC000224932923 568604763 /nfs/dbraw/zinc/60/47/63/568604763.db2.gz SLKHKKKPTYXAOL-GOSISDBHSA-N 0 0 423.937 5.140 40 0 HKABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000224933432 568604744 /nfs/dbraw/zinc/60/47/44/568604744.db2.gz JODITIQTQWBBFA-GFCCVEGCSA-N 0 0 408.723 5.387 40 0 HKABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000224933477 568604843 /nfs/dbraw/zinc/60/48/43/568604843.db2.gz JODITIQTQWBBFA-LBPRGKRZSA-N 0 0 408.723 5.387 40 0 HKABRN COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCCCCC3)o2)c(OC)c1 ZINC000224936148 568604704 /nfs/dbraw/zinc/60/47/04/568604704.db2.gz KFZXYNZBQQYRDI-UHFFFAOYSA-N 0 0 406.482 5.042 40 0 HKABRN CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224937020 568604838 /nfs/dbraw/zinc/60/48/38/568604838.db2.gz PFVOFBJJKNLMAD-UHFFFAOYSA-N 0 0 423.159 5.280 40 0 HKABRN CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224937139 568604777 /nfs/dbraw/zinc/60/47/77/568604777.db2.gz OJPIYXMIGFSFSS-UHFFFAOYSA-N 0 0 418.651 5.491 40 0 HKABRN CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224937320 568604757 /nfs/dbraw/zinc/60/47/57/568604757.db2.gz TWAUECHJAYLQDW-UHFFFAOYSA-N 0 0 422.333 5.398 40 0 HKABRN CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224939396 568604928 /nfs/dbraw/zinc/60/49/28/568604928.db2.gz GKXNCTGNJGXHRF-UHFFFAOYSA-N 0 0 418.651 5.491 40 0 HKABRN O=C(NC1CCCC1)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 ZINC000224939774 568604863 /nfs/dbraw/zinc/60/48/63/568604863.db2.gz LTKKOPOUZBTVHI-UHFFFAOYSA-N 0 0 411.299 5.444 40 0 HKABRN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000224939969 568604881 /nfs/dbraw/zinc/60/48/81/568604881.db2.gz NLRFTABANLNVOP-UHFFFAOYSA-N 0 0 402.563 6.222 40 0 HKABRN O=C(Nc1ccc(N2CCCCC2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000224940425 568604987 /nfs/dbraw/zinc/60/49/87/568604987.db2.gz XNVLPOOTHYPDLN-LYBHJNIJSA-N 0 0 416.952 6.510 40 0 HKABRN COc1ccc(/C=C(/C(=O)Nc2ccc(N3CCCCC3)cc2)c2ccccc2)cc1 ZINC000224940554 568604916 /nfs/dbraw/zinc/60/49/16/568604916.db2.gz IWUYOZDHYUKQED-LHLOQNFPSA-N 0 0 412.533 5.865 40 0 HKABRN O=C(NCc1ccco1)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 ZINC000224940654 568604931 /nfs/dbraw/zinc/60/49/31/568604931.db2.gz PIFUTNVCPYACSG-UHFFFAOYSA-N 0 0 423.266 5.294 40 0 HKABRN O=C(Nc1ccccc1)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 ZINC000224940822 568604947 /nfs/dbraw/zinc/60/49/47/568604947.db2.gz BPLWVJAVUCNDAE-UHFFFAOYSA-N 0 0 419.278 6.023 40 0 HKABRN O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(N2CCCCC2)cc1 ZINC000224940881 568604937 /nfs/dbraw/zinc/60/49/37/568604937.db2.gz RVBDCLAJSAMLFH-UHFFFAOYSA-N 0 0 409.382 5.856 40 0 HKABRN O=C(CSCc1ccc(Br)cc1)Nc1ccc(N2CCCCC2)cc1 ZINC000224941061 568604892 /nfs/dbraw/zinc/60/48/92/568604892.db2.gz RBOMFNWXPJMIBI-UHFFFAOYSA-N 0 0 419.388 5.311 40 0 HKABRN O=C(Nc1nnc(-c2ccccc2)s1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000224941138 568604990 /nfs/dbraw/zinc/60/49/90/568604990.db2.gz OOMKTMUQAXFUIU-UHFFFAOYSA-N 0 0 421.909 5.690 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2)cc1 ZINC000224941164 568604969 /nfs/dbraw/zinc/60/49/69/568604969.db2.gz RPCONKVJBYDNOE-UHFFFAOYSA-N 0 0 416.590 6.530 40 0 HKABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1c(F)cccc1Cl ZINC000224942144 568605118 /nfs/dbraw/zinc/60/51/18/568605118.db2.gz HBJZSMBZRACOMD-OAHLLOKOSA-N 0 0 421.965 5.175 40 0 HKABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1c(F)cccc1Cl ZINC000224942182 568605107 /nfs/dbraw/zinc/60/51/07/568605107.db2.gz HBJZSMBZRACOMD-HNNXBMFYSA-N 0 0 421.965 5.175 40 0 HKABRN CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224942428 568605125 /nfs/dbraw/zinc/60/51/25/568605125.db2.gz MDLVGYWLEMILIJ-UHFFFAOYSA-N 0 0 406.334 5.876 40 0 HKABRN O=C(c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1)N1CCCCC1 ZINC000224944935 568605078 /nfs/dbraw/zinc/60/50/78/568605078.db2.gz TXODSBNNUWTTOV-UHFFFAOYSA-N 0 0 411.299 5.397 40 0 HKABRN CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224945746 568605293 /nfs/dbraw/zinc/60/52/93/568605293.db2.gz IUCBTYPLSXFZSG-UHFFFAOYSA-N 0 0 400.327 5.140 40 0 HKABRN CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224945809 568605307 /nfs/dbraw/zinc/60/53/07/568605307.db2.gz DNNZUSPAYNHGBB-UHFFFAOYSA-N 0 0 414.354 5.530 40 0 HKABRN CCCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 ZINC000224946220 568605325 /nfs/dbraw/zinc/60/53/25/568605325.db2.gz JXIDLULIVDZVON-UHFFFAOYSA-N 0 0 413.315 5.691 40 0 HKABRN CC(C)CCNC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 ZINC000224946285 568605318 /nfs/dbraw/zinc/60/53/18/568605318.db2.gz XSNZKUKFGDCASN-UHFFFAOYSA-N 0 0 413.315 5.547 40 0 HKABRN CCC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 ZINC000224946340 568605296 /nfs/dbraw/zinc/60/52/96/568605296.db2.gz HZAZNKUODYUOCG-CQSZACIVSA-N 0 0 413.315 5.690 40 0 HKABRN CCC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 ZINC000224946380 568605287 /nfs/dbraw/zinc/60/52/87/568605287.db2.gz HZAZNKUODYUOCG-AWEZNQCLSA-N 0 0 413.315 5.690 40 0 HKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2sccc2C)cc1Cl ZINC000224947818 568605314 /nfs/dbraw/zinc/60/53/14/568605314.db2.gz TWUPQZMCMVJGFH-ZWKOTPCHSA-N 0 0 415.971 5.291 40 0 HKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2sccc2C)cc1Cl ZINC000224947847 568605323 /nfs/dbraw/zinc/60/53/23/568605323.db2.gz TWUPQZMCMVJGFH-QZTJIDSGSA-N 0 0 415.971 5.291 40 0 HKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2sccc2C)cc1Cl ZINC000224947889 568605329 /nfs/dbraw/zinc/60/53/29/568605329.db2.gz TWUPQZMCMVJGFH-ROUUACIJSA-N 0 0 415.971 5.291 40 0 HKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2sccc2C)cc1Cl ZINC000224947928 568605288 /nfs/dbraw/zinc/60/52/88/568605288.db2.gz TWUPQZMCMVJGFH-MSOLQXFVSA-N 0 0 415.971 5.291 40 0 HKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)s2)cc1Cl ZINC000224947986 568605324 /nfs/dbraw/zinc/60/53/24/568605324.db2.gz MBRQWGIYGNUHCC-OALUTQOASA-N 0 0 415.971 5.291 40 0 HKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)s2)cc1Cl ZINC000224948024 568605302 /nfs/dbraw/zinc/60/53/02/568605302.db2.gz MBRQWGIYGNUHCC-MOPGFXCFSA-N 0 0 415.971 5.291 40 0 HKABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)s2)cc1Cl ZINC000224948064 568605328 /nfs/dbraw/zinc/60/53/28/568605328.db2.gz MBRQWGIYGNUHCC-RBUKOAKNSA-N 0 0 415.971 5.291 40 0 HKABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)s2)cc1Cl ZINC000224948103 568605485 /nfs/dbraw/zinc/60/54/85/568605485.db2.gz MBRQWGIYGNUHCC-RTBURBONSA-N 0 0 415.971 5.291 40 0 HKABRN O=C(NC1CCCC1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 ZINC000224948952 568605433 /nfs/dbraw/zinc/60/54/33/568605433.db2.gz VRAUHTJCXKMWMH-UHFFFAOYSA-N 0 0 411.299 5.444 40 0 HKABRN O=C(NCc1ccco1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 ZINC000224949836 568605436 /nfs/dbraw/zinc/60/54/36/568605436.db2.gz RNAGEFFNWLMOOA-UHFFFAOYSA-N 0 0 423.266 5.294 40 0 HKABRN O=C(Nc1ccccc1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 ZINC000224949993 568605428 /nfs/dbraw/zinc/60/54/28/568605428.db2.gz VTZVYWVYFBGDMD-UHFFFAOYSA-N 0 0 419.278 6.023 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccc(OC)cc2)cc1C ZINC000224951476 568605531 /nfs/dbraw/zinc/60/55/31/568605531.db2.gz MOCXNSZUKISMJB-UHFFFAOYSA-N 0 0 411.885 6.100 40 0 HKABRN CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224952727 568605694 /nfs/dbraw/zinc/60/56/94/568605694.db2.gz ISEZTVPMFRQGJH-UHFFFAOYSA-N 0 0 417.914 5.356 40 0 HKABRN O=C(c1ccccc1-c1ncc(-c2cccc(Br)c2)o1)N1CCCCC1 ZINC000224954189 568605654 /nfs/dbraw/zinc/60/56/54/568605654.db2.gz GJGCLKNZJUUQLG-UHFFFAOYSA-N 0 0 411.299 5.397 40 0 HKABRN CC(C)(C)c1ccc(OCCNC(=O)CSCc2cccc3ccccc32)cc1 ZINC000224954455 568605710 /nfs/dbraw/zinc/60/57/10/568605710.db2.gz LPXUOKBQCGKHJZ-UHFFFAOYSA-N 0 0 407.579 5.566 40 0 HKABRN CCc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000224954468 568605675 /nfs/dbraw/zinc/60/56/75/568605675.db2.gz NAFBNGLYWAKNNM-MRXNPFEDSA-N 0 0 419.396 5.645 40 0 HKABRN CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000224954501 568605646 /nfs/dbraw/zinc/60/56/46/568605646.db2.gz NAFBNGLYWAKNNM-INIZCTEOSA-N 0 0 419.396 5.645 40 0 HKABRN CCCCCNC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 ZINC000224955490 568605713 /nfs/dbraw/zinc/60/57/13/568605713.db2.gz KXUIMUIJNFZQTO-UHFFFAOYSA-N 0 0 413.315 5.691 40 0 HKABRN CC(C)CCNC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 ZINC000224955545 568605692 /nfs/dbraw/zinc/60/56/92/568605692.db2.gz SIVXLOXWMCXMBY-UHFFFAOYSA-N 0 0 413.315 5.547 40 0 HKABRN CCC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 ZINC000224955600 568605665 /nfs/dbraw/zinc/60/56/65/568605665.db2.gz LMKUHYHQFBGXRU-CQSZACIVSA-N 0 0 413.315 5.690 40 0 HKABRN CCC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 ZINC000224955638 568605672 /nfs/dbraw/zinc/60/56/72/568605672.db2.gz LMKUHYHQFBGXRU-AWEZNQCLSA-N 0 0 413.315 5.690 40 0 HKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1cccc(F)c1 ZINC000224955718 568605887 /nfs/dbraw/zinc/60/58/87/568605887.db2.gz AIZAVAYWZKUUFP-UHFFFAOYSA-N 0 0 420.465 5.032 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)Cc3cccc(Cl)c3)c2)cc1 ZINC000224957739 568605836 /nfs/dbraw/zinc/60/58/36/568605836.db2.gz OCXJXLXSMXKWAE-UHFFFAOYSA-N 0 0 405.925 6.050 40 0 HKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000224957797 568605859 /nfs/dbraw/zinc/60/58/59/568605859.db2.gz KSFYRYOMYULRNL-MRXNPFEDSA-N 0 0 419.959 5.280 40 0 HKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000224957833 568605882 /nfs/dbraw/zinc/60/58/82/568605882.db2.gz KSFYRYOMYULRNL-INIZCTEOSA-N 0 0 419.959 5.280 40 0 HKABRN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccc1SCc1ccccc1 ZINC000224957989 568605883 /nfs/dbraw/zinc/60/58/83/568605883.db2.gz FRWMPTFZEBSJOE-UHFFFAOYSA-N 0 0 402.563 6.222 40 0 HKABRN O=C(NCCC1=CCCCC1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000224958294 568605892 /nfs/dbraw/zinc/60/58/92/568605892.db2.gz JLQBROMXRSNYGV-UHFFFAOYSA-N 0 0 406.913 6.282 40 0 HKABRN Cc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000224958417 568605842 /nfs/dbraw/zinc/60/58/42/568605842.db2.gz ATYOQBYCRUERPO-UHFFFAOYSA-N 0 0 402.881 5.900 40 0 HKABRN O=C(NCc1ccccc1Cl)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000224958476 568605893 /nfs/dbraw/zinc/60/58/93/568605893.db2.gz ZIVVQKIMMGDRTL-UHFFFAOYSA-N 0 0 423.299 6.245 40 0 HKABRN O=C(NCc1ccc(Cl)cc1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000224958531 568605867 /nfs/dbraw/zinc/60/58/67/568605867.db2.gz HVCWONQVFGZHKC-UHFFFAOYSA-N 0 0 423.299 6.245 40 0 HKABRN COc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000224958636 568605874 /nfs/dbraw/zinc/60/58/74/568605874.db2.gz IJTINGXIVZRHHN-UHFFFAOYSA-N 0 0 418.880 5.601 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000224958696 568605840 /nfs/dbraw/zinc/60/58/40/568605840.db2.gz AHGCKUGHADZANI-MRXNPFEDSA-N 0 0 402.881 6.153 40 0 HKABRN C[C@H](NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000224958734 568605870 /nfs/dbraw/zinc/60/58/70/568605870.db2.gz AHGCKUGHADZANI-INIZCTEOSA-N 0 0 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O=C(Nc1cccc2ccccc21)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000224959864 568605984 /nfs/dbraw/zinc/60/59/84/568605984.db2.gz FGMVGDGNIAKTIZ-UHFFFAOYSA-N 0 0 424.887 7.068 40 0 HKABRN O=C(Nc1ccccc1Cl)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000224960081 568605993 /nfs/dbraw/zinc/60/59/93/568605993.db2.gz TZCACOATMLIBKQ-UHFFFAOYSA-N 0 0 409.272 6.568 40 0 HKABRN O=C(Nc1cccc(Cl)c1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000224960137 568606050 /nfs/dbraw/zinc/60/60/50/568606050.db2.gz KAMQLIGNUXYJAK-UHFFFAOYSA-N 0 0 409.272 6.568 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000224960195 568606000 /nfs/dbraw/zinc/60/60/00/568606000.db2.gz SJDVNKRVYHWUGE-UHFFFAOYSA-N 0 0 409.272 6.568 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000224960460 568606073 /nfs/dbraw/zinc/60/60/73/568606073.db2.gz HQZULESHTJEELS-UHFFFAOYSA-N 0 0 423.299 6.876 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000224960518 568606053 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C[C@H](NC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1)c1ccccc1 ZINC000224961157 568606002 /nfs/dbraw/zinc/60/60/02/568606002.db2.gz ZSNTXHVOALUEFH-FQEVSTJZSA-N 0 0 412.533 5.628 40 0 HKABRN Cc1cc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc(C)c1Br ZINC000224961234 568606273 /nfs/dbraw/zinc/60/62/73/568606273.db2.gz WJZMMLQGTCTEIX-UHFFFAOYSA-N 0 0 417.347 5.074 40 0 HKABRN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(N2CCCCC2)cc1 ZINC000224961423 568606241 /nfs/dbraw/zinc/60/62/41/568606241.db2.gz UMOFCSOTLXRDLN-UHFFFAOYSA-N 0 0 423.738 5.110 40 0 HKABRN COc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000224961523 568606236 /nfs/dbraw/zinc/60/62/36/568606236.db2.gz HREWGDAIIDQKOE-UHFFFAOYSA-N 0 0 404.853 5.923 40 0 HKABRN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000224961551 568606186 /nfs/dbraw/zinc/60/61/86/568606186.db2.gz QOQQNLXWGYVNOI-UHFFFAOYSA-N 0 0 420.940 6.162 40 0 HKABRN COc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)c1 ZINC000224961587 568606262 /nfs/dbraw/zinc/60/62/62/568606262.db2.gz CJGTVSJCILAWIW-UHFFFAOYSA-N 0 0 404.853 5.923 40 0 HKABRN COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000224961608 568606207 /nfs/dbraw/zinc/60/62/07/568606207.db2.gz IVHJFUFIFSQGDH-UHFFFAOYSA-N 0 0 404.853 5.923 40 0 HKABRN CCOc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000224961669 568606171 /nfs/dbraw/zinc/60/61/71/568606171.db2.gz MUQZAEQBLIFFIB-UHFFFAOYSA-N 0 0 418.880 6.313 40 0 HKABRN CCOc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000224961721 568606250 /nfs/dbraw/zinc/60/62/50/568606250.db2.gz BYACKNINYWFGTI-UHFFFAOYSA-N 0 0 418.880 6.313 40 0 HKABRN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000224962092 568606240 /nfs/dbraw/zinc/60/62/40/568606240.db2.gz MHLFBCMLCUUMKE-UHFFFAOYSA-N 0 0 418.836 5.643 40 0 HKABRN COc1ccc(C)cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000224962204 568606226 /nfs/dbraw/zinc/60/62/26/568606226.db2.gz MEDSZZFHTJRRFM-UHFFFAOYSA-N 0 0 418.880 6.231 40 0 HKABRN CSc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)c1 ZINC000224962379 568606169 /nfs/dbraw/zinc/60/61/69/568606169.db2.gz DXUVTMGWCGYUAP-UHFFFAOYSA-N 0 0 420.921 6.636 40 0 HKABRN COc1ccccc1[C@@H](C)NC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000224962610 568606214 /nfs/dbraw/zinc/60/62/14/568606214.db2.gz BKIDZWUPYXBICI-CQSZACIVSA-N 0 0 420.347 5.011 40 0 HKABRN NC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000224962613 568606228 /nfs/dbraw/zinc/60/62/28/568606228.db2.gz IBSQTKMUBFEKEI-UHFFFAOYSA-N 0 0 417.852 5.013 40 0 HKABRN COc1ccccc1[C@H](C)NC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000224962652 568606270 /nfs/dbraw/zinc/60/62/70/568606270.db2.gz BKIDZWUPYXBICI-AWEZNQCLSA-N 0 0 420.347 5.011 40 0 HKABRN CC(=O)c1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)c1 ZINC000224962734 568606188 /nfs/dbraw/zinc/60/61/88/568606188.db2.gz XBHBDZWQCYMVQJ-UHFFFAOYSA-N 0 0 416.864 6.117 40 0 HKABRN CN(Cc1ccccc1)C(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000224962960 568606259 /nfs/dbraw/zinc/60/62/59/568606259.db2.gz BUZYVFDAADKAIL-UHFFFAOYSA-N 0 0 402.881 5.934 40 0 HKABRN C[C@@H](NC(=O)c1cccc(I)c1)c1ccc(C(C)(C)C)cc1 ZINC000224964032 569284657 /nfs/dbraw/zinc/28/46/57/569284657.db2.gz CQCUIGJFEUYXCH-CYBMUJFWSA-N 0 0 407.295 5.080 40 0 HKABRN C[C@H](NC(=O)c1cccc(I)c1)c1ccc(C(C)(C)C)cc1 ZINC000224964075 569284629 /nfs/dbraw/zinc/28/46/29/569284629.db2.gz CQCUIGJFEUYXCH-ZDUSSCGKSA-N 0 0 407.295 5.080 40 0 HKABRN O=C(c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1)N1CCc2ccccc2C1 ZINC000224964178 568606245 /nfs/dbraw/zinc/60/62/45/568606245.db2.gz LZHAKGNFOSVGED-UHFFFAOYSA-N 0 0 414.892 5.861 40 0 HKABRN COc1ccccc1CNC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000224964288 568606432 /nfs/dbraw/zinc/60/64/32/568606432.db2.gz XBQWCFLYVCXKHK-UHFFFAOYSA-N 0 0 418.880 5.601 40 0 HKABRN CSc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000224964663 568606403 /nfs/dbraw/zinc/60/64/03/568606403.db2.gz BMZWEALLINZXPG-UHFFFAOYSA-N 0 0 420.921 6.636 40 0 HKABRN Cc1cc(C)c(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)c(C)c1 ZINC000224964837 568606423 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CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224967265 568606639 /nfs/dbraw/zinc/60/66/39/568606639.db2.gz IQGDSGIPXDSAHY-UHFFFAOYSA-N 0 0 401.915 5.231 40 0 HKABRN O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000224970143 568606852 /nfs/dbraw/zinc/60/68/52/568606852.db2.gz UGRBDWJYXTZLMN-UHFFFAOYSA-N 0 0 420.940 6.162 40 0 HKABRN O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000224970275 568606795 /nfs/dbraw/zinc/60/67/95/568606795.db2.gz RHHSDBTYEZBHSF-UHFFFAOYSA-N 0 0 420.940 6.162 40 0 HKABRN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(CSc2ccccc2)cc1 ZINC000224971206 568606792 /nfs/dbraw/zinc/60/67/92/568606792.db2.gz HIMVFRRUFZQDJN-UHFFFAOYSA-N 0 0 409.554 6.827 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000224971262 568606797 /nfs/dbraw/zinc/60/67/97/568606797.db2.gz CPMNDPZQCGWQIN-UHFFFAOYSA-N 0 0 423.581 7.136 40 0 HKABRN O=C(Cc1ccc(-c2ccccc2)cc1)NCCSCc1c(F)cccc1Cl ZINC000224971778 568606851 /nfs/dbraw/zinc/60/68/51/568606851.db2.gz LBQYLUSOVJBHND-UHFFFAOYSA-N 0 0 413.945 5.738 40 0 HKABRN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000224971858 568606831 /nfs/dbraw/zinc/60/68/31/568606831.db2.gz DDHUBMJTWWZRTK-UHFFFAOYSA-N 0 0 412.533 5.597 40 0 HKABRN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000224971933 568606858 /nfs/dbraw/zinc/60/68/58/568606858.db2.gz WPCGZJUFPIJPJJ-UHFFFAOYSA-N 0 0 420.512 5.465 40 0 HKABRN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000224972197 568606802 /nfs/dbraw/zinc/60/68/02/568606802.db2.gz USZGSRQCIWQETL-UHFFFAOYSA-N 0 0 410.473 5.058 40 0 HKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000224972578 568606869 /nfs/dbraw/zinc/60/68/69/568606869.db2.gz NCOHWIPYDIIYKF-UHFFFAOYSA-N 0 0 404.941 5.207 40 0 HKABRN COC(=O)c1c(NC(=O)Cc2ccc(-c3ccccc3)cc2)sc2c1CCCC2 ZINC000224972769 568606828 /nfs/dbraw/zinc/60/68/28/568606828.db2.gz ZSJXJCOXTIHYEW-UHFFFAOYSA-N 0 0 405.519 5.262 40 0 HKABRN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(Br)c(Cl)c1 ZINC000224974319 527214636 /nfs/dbraw/zinc/21/46/36/527214636.db2.gz AITQLRRXXGVHJE-UHFFFAOYSA-N 0 0 400.703 5.951 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 ZINC000224974371 568606992 /nfs/dbraw/zinc/60/69/92/568606992.db2.gz YXAIGGQMBRESDT-IBGZPJMESA-N 0 0 408.542 5.151 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 ZINC000224974405 568606936 /nfs/dbraw/zinc/60/69/36/568606936.db2.gz YXAIGGQMBRESDT-LJQANCHMSA-N 0 0 408.542 5.151 40 0 HKABRN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000224974437 568607037 /nfs/dbraw/zinc/60/70/37/568607037.db2.gz GIKPXWVXSKSMJU-UHFFFAOYSA-N 0 0 413.904 6.981 40 0 HKABRN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000224975201 568606923 /nfs/dbraw/zinc/60/69/23/568606923.db2.gz ACRCXUJMUGFQOF-UHFFFAOYSA-N 0 0 412.533 5.551 40 0 HKABRN O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000224975648 568606957 /nfs/dbraw/zinc/60/69/57/568606957.db2.gz IDEGKFUZVQTKFL-UHFFFAOYSA-N 0 0 424.466 5.264 40 0 HKABRN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000224975985 568606960 /nfs/dbraw/zinc/60/69/60/568606960.db2.gz SLMBNWCBDHPWBN-UHFFFAOYSA-N 0 0 421.584 7.003 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1OCC ZINC000224976475 568606963 /nfs/dbraw/zinc/60/69/63/568606963.db2.gz RQTYFOBMPJRRHF-LJQANCHMSA-N 0 0 403.522 5.571 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1OCC ZINC000224976516 568606909 /nfs/dbraw/zinc/60/69/09/568606909.db2.gz RQTYFOBMPJRRHF-IBGZPJMESA-N 0 0 403.522 5.571 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(N2CCCCC2)cc1 ZINC000224976645 568606897 /nfs/dbraw/zinc/60/68/97/568606897.db2.gz HCSUZWZSXIBHGM-UHFFFAOYSA-N 0 0 409.382 5.856 40 0 HKABRN CCOc1ccc(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC ZINC000224977044 568607074 /nfs/dbraw/zinc/60/70/74/568607074.db2.gz AZXKYUOHNOHWGZ-UHFFFAOYSA-N 0 0 403.522 5.052 40 0 HKABRN O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(CSc2ccccc2)cc1 ZINC000224981144 568607352 /nfs/dbraw/zinc/60/73/52/568607352.db2.gz INRXELRCMHGVMV-UHFFFAOYSA-N 0 0 403.532 5.750 40 0 HKABRN O=C(Nc1ccc(N2CCOCC2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000224981650 568607303 /nfs/dbraw/zinc/60/73/03/568607303.db2.gz VJPOKPKOIUNMQY-PTGBLXJZSA-N 0 0 418.924 5.356 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)cc1 ZINC000224982127 568607342 /nfs/dbraw/zinc/60/73/42/568607342.db2.gz QSPJDAPSSZDLNK-UHFFFAOYSA-N 0 0 418.562 5.376 40 0 HKABRN O=C(Cc1ccc(-c2ccccc2)cc1)NCCSCc1cccc2ccccc21 ZINC000224982470 568607477 /nfs/dbraw/zinc/60/74/77/568607477.db2.gz OXTPTNKCMSCURF-UHFFFAOYSA-N 0 0 411.570 6.099 40 0 HKABRN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nnc(SCc2ccccc2)s1 ZINC000224982810 568607527 /nfs/dbraw/zinc/60/75/27/568607527.db2.gz YYPSQBQVYHAHQO-UHFFFAOYSA-N 0 0 417.559 5.679 40 0 HKABRN O=C(COc1cccc2c1CCCC2)Nc1ccc(CSc2ccccc2)cc1 ZINC000224984103 568607481 /nfs/dbraw/zinc/60/74/81/568607481.db2.gz VAJKJZHKNVMMEX-UHFFFAOYSA-N 0 0 403.547 5.875 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000224984709 568607513 /nfs/dbraw/zinc/60/75/13/568607513.db2.gz XNTCPNGVZHBQEQ-UHFFFAOYSA-N 0 0 411.954 6.428 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000224985238 568607524 /nfs/dbraw/zinc/60/75/24/568607524.db2.gz FALCKFWJBIVWKO-UHFFFAOYSA-N 0 0 416.345 5.340 40 0 HKABRN CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(SC)cc1 ZINC000224985874 568607461 /nfs/dbraw/zinc/60/74/61/568607461.db2.gz KUUOHWHPPYHNHY-UHFFFAOYSA-N 0 0 409.882 5.296 40 0 HKABRN CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000224986108 568607465 /nfs/dbraw/zinc/60/74/65/568607465.db2.gz CSNNFCUODJXIDR-UHFFFAOYSA-N 0 0 413.564 5.203 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000224987478 568607669 /nfs/dbraw/zinc/60/76/69/568607669.db2.gz QZEWIQNWZHXTQO-UHFFFAOYSA-N 0 0 414.933 5.152 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000224988040 519377938 /nfs/dbraw/zinc/37/79/38/519377938.db2.gz ZKGUNLULNJDKOH-UHFFFAOYSA-N 0 0 423.984 6.604 40 0 HKABRN CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(SC)cc1 ZINC000224989023 568607643 /nfs/dbraw/zinc/60/76/43/568607643.db2.gz CWTCNJKAGKZUPM-UHFFFAOYSA-N 0 0 409.882 5.296 40 0 HKABRN CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 ZINC000224990558 568607705 /nfs/dbraw/zinc/60/77/05/568607705.db2.gz BXIXUUSXLDDRHO-UHFFFAOYSA-N 0 0 420.781 5.040 40 0 HKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCSCc1cccc2ccccc21 ZINC000224993016 568607855 /nfs/dbraw/zinc/60/78/55/568607855.db2.gz SAQZVQXNPSKLGE-UHFFFAOYSA-N 0 0 413.970 5.700 40 0 HKABRN COc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1Cl ZINC000224994033 568607860 /nfs/dbraw/zinc/60/78/60/568607860.db2.gz QEIPIHXJYLGHRG-UHFFFAOYSA-N 0 0 404.746 5.319 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c2ccccc2O1 ZINC000224994594 568607827 /nfs/dbraw/zinc/60/78/27/568607827.db2.gz HVNGDBBQHWLVTC-LJQANCHMSA-N 0 0 401.934 5.696 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c2ccccc2O1 ZINC000224994638 568607835 /nfs/dbraw/zinc/60/78/35/568607835.db2.gz HVNGDBBQHWLVTC-IBGZPJMESA-N 0 0 401.934 5.696 40 0 HKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000224994827 568607822 /nfs/dbraw/zinc/60/78/22/568607822.db2.gz VIFNDBDSWJWDAR-NHCUHLMSSA-N 0 0 422.613 5.249 40 0 HKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000224994870 568607830 /nfs/dbraw/zinc/60/78/30/568607830.db2.gz VIFNDBDSWJWDAR-LEWJYISDSA-N 0 0 422.613 5.249 40 0 HKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000224994909 568607856 /nfs/dbraw/zinc/60/78/56/568607856.db2.gz VIFNDBDSWJWDAR-RTWAWAEBSA-N 0 0 422.613 5.249 40 0 HKABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000224994947 568607849 /nfs/dbraw/zinc/60/78/49/568607849.db2.gz VIFNDBDSWJWDAR-SFTDATJTSA-N 0 0 422.613 5.249 40 0 HKABRN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000224996279 568607818 /nfs/dbraw/zinc/60/78/18/568607818.db2.gz MPBNJMDFFHQMDP-OAHLLOKOSA-N 0 0 421.547 5.390 40 0 HKABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000224996320 568607838 /nfs/dbraw/zinc/60/78/38/568607838.db2.gz MPBNJMDFFHQMDP-HNNXBMFYSA-N 0 0 421.547 5.390 40 0 HKABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3Cl)cc2)c1 ZINC000224997236 568607865 /nfs/dbraw/zinc/60/78/65/568607865.db2.gz KMRYIMSZDCSCTE-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1SCc1ccccc1 ZINC000224997568 568608046 /nfs/dbraw/zinc/60/80/46/568608046.db2.gz WBIJFROIRCEFCU-UHFFFAOYSA-N 0 0 404.535 5.068 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c(Cl)c1 ZINC000224998406 568607999 /nfs/dbraw/zinc/60/79/99/568607999.db2.gz WXXNTLHOZNDYKL-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3Cl)cc2)cc1 ZINC000224998464 568608002 /nfs/dbraw/zinc/60/80/02/568608002.db2.gz FXOKNSLXADPIHO-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000225000931 568608196 /nfs/dbraw/zinc/60/81/96/568608196.db2.gz XDFQTVWQZDNUTR-UHFFFAOYSA-N 0 0 422.912 5.008 40 0 HKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000225003210 568608410 /nfs/dbraw/zinc/60/84/10/568608410.db2.gz YYOQQGLYIJCBMD-MRXNPFEDSA-N 0 0 401.919 5.271 40 0 HKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000225003251 568608411 /nfs/dbraw/zinc/60/84/11/568608411.db2.gz YYOQQGLYIJCBMD-INIZCTEOSA-N 0 0 401.919 5.271 40 0 HKABRN Cc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)c(Cl)c1 ZINC000225003517 568608417 /nfs/dbraw/zinc/60/84/17/568608417.db2.gz AFMGHJWSDAEJBC-UHFFFAOYSA-N 0 0 402.346 6.846 40 0 HKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225004522 568608386 /nfs/dbraw/zinc/60/83/86/568608386.db2.gz RJNYYTZORSVEFL-NHCUHLMSSA-N 0 0 408.586 5.075 40 0 HKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225004567 568608415 /nfs/dbraw/zinc/60/84/15/568608415.db2.gz RJNYYTZORSVEFL-LEWJYISDSA-N 0 0 408.586 5.075 40 0 HKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225004608 568608387 /nfs/dbraw/zinc/60/83/87/568608387.db2.gz RJNYYTZORSVEFL-RTWAWAEBSA-N 0 0 408.586 5.075 40 0 HKABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225004643 568608419 /nfs/dbraw/zinc/60/84/19/568608419.db2.gz RJNYYTZORSVEFL-SFTDATJTSA-N 0 0 408.586 5.075 40 0 HKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000225004753 568608367 /nfs/dbraw/zinc/60/83/67/568608367.db2.gz GQWKXHNXPXFORM-QHCPKHFHSA-N 0 0 424.610 5.035 40 0 HKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000225004792 568608377 /nfs/dbraw/zinc/60/83/77/568608377.db2.gz GQWKXHNXPXFORM-HSZRJFAPSA-N 0 0 424.610 5.035 40 0 HKABRN Cc1ccc(C(=O)Nc2nnc(SCc3ccccc3Cl)s2)c(Cl)c1 ZINC000225006528 568608590 /nfs/dbraw/zinc/60/85/90/568608590.db2.gz VFDSSCPGZBXYMW-UHFFFAOYSA-N 0 0 410.351 5.698 40 0 HKABRN Cc1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)c(Cl)c1 ZINC000225006584 568608559 /nfs/dbraw/zinc/60/85/59/568608559.db2.gz YYNRICXEULIRJT-UHFFFAOYSA-N 0 0 410.351 5.698 40 0 HKABRN Cc1ccc(C(=O)Nc2nnc(SCc3cccc(Cl)c3)s2)c(Cl)c1 ZINC000225006637 568608609 /nfs/dbraw/zinc/60/86/09/568608609.db2.gz ZEAGXBWWRTXFDT-UHFFFAOYSA-N 0 0 410.351 5.698 40 0 HKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000225007557 568608587 /nfs/dbraw/zinc/60/85/87/568608587.db2.gz XECSZVKJJVNYNV-NHCUHLMSSA-N 0 0 416.565 5.104 40 0 HKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000225007601 568608618 /nfs/dbraw/zinc/60/86/18/568608618.db2.gz XECSZVKJJVNYNV-LEWJYISDSA-N 0 0 416.565 5.104 40 0 HKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000225007643 568608598 /nfs/dbraw/zinc/60/85/98/568608598.db2.gz XECSZVKJJVNYNV-RTWAWAEBSA-N 0 0 416.565 5.104 40 0 HKABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000225007687 568608581 /nfs/dbraw/zinc/60/85/81/568608581.db2.gz XECSZVKJJVNYNV-SFTDATJTSA-N 0 0 416.565 5.104 40 0 HKABRN O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000225008319 568608735 /nfs/dbraw/zinc/60/87/35/568608735.db2.gz LMQWVXSFLWIOEN-UHFFFAOYSA-N 0 0 422.912 5.008 40 0 HKABRN O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000225008432 568608706 /nfs/dbraw/zinc/60/87/06/568608706.db2.gz CGWSATQDDBSXRC-UHFFFAOYSA-N 0 0 422.912 5.008 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1Cc1ccco1 ZINC000225009447 568608845 /nfs/dbraw/zinc/60/88/45/568608845.db2.gz DGYPKAKIFRCOBX-DHIUTWEWSA-N 0 0 420.582 5.056 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1Cc1ccco1 ZINC000225009483 568608931 /nfs/dbraw/zinc/60/89/31/568608931.db2.gz DGYPKAKIFRCOBX-PKTZIBPZSA-N 0 0 420.582 5.056 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1Cc1ccco1 ZINC000225009517 568608917 /nfs/dbraw/zinc/60/89/17/568608917.db2.gz DGYPKAKIFRCOBX-XZOQPEGZSA-N 0 0 420.582 5.056 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1Cc1ccco1 ZINC000225009556 568608893 /nfs/dbraw/zinc/60/88/93/568608893.db2.gz DGYPKAKIFRCOBX-GOTSBHOMSA-N 0 0 420.582 5.056 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1C1CCCC1 ZINC000225009970 568608896 /nfs/dbraw/zinc/60/88/96/568608896.db2.gz XNHGSOLUQKHEOD-FCHUYYIVSA-N 0 0 422.985 5.441 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1C1CCCC1 ZINC000225010008 568608966 /nfs/dbraw/zinc/60/89/66/568608966.db2.gz XNHGSOLUQKHEOD-FGZHOGPDSA-N 0 0 422.985 5.441 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1C1CCCC1 ZINC000225010045 568608836 /nfs/dbraw/zinc/60/88/36/568608836.db2.gz XNHGSOLUQKHEOD-VXKWHMMOSA-N 0 0 422.985 5.441 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1C1CCCC1 ZINC000225010081 568608969 /nfs/dbraw/zinc/60/89/69/568608969.db2.gz XNHGSOLUQKHEOD-YADHBBJMSA-N 0 0 422.985 5.441 40 0 HKABRN Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 ZINC000225010311 568608934 /nfs/dbraw/zinc/60/89/34/568608934.db2.gz RWVKWMDSOFCFQL-DHIUTWEWSA-N 0 0 402.567 5.096 40 0 HKABRN Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 ZINC000225010353 568608914 /nfs/dbraw/zinc/60/89/14/568608914.db2.gz RWVKWMDSOFCFQL-PKTZIBPZSA-N 0 0 402.567 5.096 40 0 HKABRN Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 ZINC000225010399 568608856 /nfs/dbraw/zinc/60/88/56/568608856.db2.gz RWVKWMDSOFCFQL-XZOQPEGZSA-N 0 0 402.567 5.096 40 0 HKABRN Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 ZINC000225010431 568608823 /nfs/dbraw/zinc/60/88/23/568608823.db2.gz RWVKWMDSOFCFQL-GOTSBHOMSA-N 0 0 402.567 5.096 40 0 HKABRN Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(I)c1 ZINC000225010960 568609044 /nfs/dbraw/zinc/60/90/44/568609044.db2.gz DSYNVADCEVGWDX-UHFFFAOYSA-N 0 0 406.050 5.159 40 0 HKABRN CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc(OC)c(C)c1 ZINC000225011241 568609051 /nfs/dbraw/zinc/60/90/51/568609051.db2.gz IFCHBLBOYZXVNF-GOSISDBHSA-N 0 0 412.382 5.811 40 0 HKABRN Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)c(I)c1 ZINC000225011273 568609061 /nfs/dbraw/zinc/60/90/61/568609061.db2.gz SLIRQPPRNTURLY-UHFFFAOYSA-N 0 0 406.050 5.159 40 0 HKABRN CC[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc(OC)c(C)c1 ZINC000225011278 568609009 /nfs/dbraw/zinc/60/90/09/568609009.db2.gz IFCHBLBOYZXVNF-SFHVURJKSA-N 0 0 412.382 5.811 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CCCC1 ZINC000225012952 568609049 /nfs/dbraw/zinc/60/90/49/568609049.db2.gz CHKQHPHJHDVNMA-DHIUTWEWSA-N 0 0 408.615 5.530 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CCCC1 ZINC000225012991 568609064 /nfs/dbraw/zinc/60/90/64/568609064.db2.gz CHKQHPHJHDVNMA-PKTZIBPZSA-N 0 0 408.615 5.530 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CCCC1 ZINC000225013018 568609111 /nfs/dbraw/zinc/60/91/11/568609111.db2.gz CHKQHPHJHDVNMA-XZOQPEGZSA-N 0 0 408.615 5.530 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CCCC1 ZINC000225013054 568609017 /nfs/dbraw/zinc/60/90/17/568609017.db2.gz CHKQHPHJHDVNMA-GOTSBHOMSA-N 0 0 408.615 5.530 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CCCCC1 ZINC000225013095 568609058 /nfs/dbraw/zinc/60/90/58/568609058.db2.gz JJCXYTOXQUJEFM-DNQXCXABSA-N 0 0 422.642 5.920 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CCCCC1 ZINC000225013131 568609053 /nfs/dbraw/zinc/60/90/53/568609053.db2.gz JJCXYTOXQUJEFM-RPWUZVMVSA-N 0 0 422.642 5.920 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CCCCC1 ZINC000225013167 568609070 /nfs/dbraw/zinc/60/90/70/568609070.db2.gz JJCXYTOXQUJEFM-BJKOFHAPSA-N 0 0 422.642 5.920 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CCCCC1 ZINC000225013206 568609015 /nfs/dbraw/zinc/60/90/15/568609015.db2.gz JJCXYTOXQUJEFM-ZEQRLZLVSA-N 0 0 422.642 5.920 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2O1 ZINC000225017449 568609396 /nfs/dbraw/zinc/60/93/96/568609396.db2.gz IMJDHUHIRXTVJN-DENIHFKCSA-N 0 0 409.570 6.085 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2O1 ZINC000225017485 568609421 /nfs/dbraw/zinc/60/94/21/568609421.db2.gz IMJDHUHIRXTVJN-KNQAVFIVSA-N 0 0 409.570 6.085 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2O1 ZINC000225017523 568609540 /nfs/dbraw/zinc/60/95/40/568609540.db2.gz IMJDHUHIRXTVJN-SIKLNZKXSA-N 0 0 409.570 6.085 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2O1 ZINC000225017551 568609538 /nfs/dbraw/zinc/60/95/38/568609538.db2.gz IMJDHUHIRXTVJN-UGKGYDQZSA-N 0 0 409.570 6.085 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000225020504 568609544 /nfs/dbraw/zinc/60/95/44/568609544.db2.gz CASXQGIRKBAQPE-UHFFFAOYSA-N 0 0 406.050 5.159 40 0 HKABRN Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)c(I)c1 ZINC000225020559 568609452 /nfs/dbraw/zinc/60/94/52/568609452.db2.gz VDZYFRCXTYLGKR-UHFFFAOYSA-N 0 0 406.050 5.159 40 0 HKABRN Cn1c2ccc(NC(=O)c3ccc(CSc4ccccc4)cc3)cc2sc1=O ZINC000225021024 568609493 /nfs/dbraw/zinc/60/94/93/568609493.db2.gz KAQHUCDEQPMEPE-UHFFFAOYSA-N 0 0 406.532 5.145 40 0 HKABRN Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCC1 ZINC000225021962 568609427 /nfs/dbraw/zinc/60/94/27/568609427.db2.gz QVWWEPHHPWPNPZ-DHIUTWEWSA-N 0 0 402.567 5.096 40 0 HKABRN Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCC1 ZINC000225022006 568609548 /nfs/dbraw/zinc/60/95/48/568609548.db2.gz QVWWEPHHPWPNPZ-PKTZIBPZSA-N 0 0 402.567 5.096 40 0 HKABRN Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCC1 ZINC000225022041 568609466 /nfs/dbraw/zinc/60/94/66/568609466.db2.gz QVWWEPHHPWPNPZ-XZOQPEGZSA-N 0 0 402.567 5.096 40 0 HKABRN Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCC1 ZINC000225022073 568609528 /nfs/dbraw/zinc/60/95/28/568609528.db2.gz QVWWEPHHPWPNPZ-GOTSBHOMSA-N 0 0 402.567 5.096 40 0 HKABRN Cn1c(=O)sc2cc(NC(=O)/C(=C/c3ccccc3Cl)c3ccccc3)ccc21 ZINC000225022120 568609502 /nfs/dbraw/zinc/60/95/02/568609502.db2.gz PISDICZBDYLEHV-QGOAFFKASA-N 0 0 420.921 5.433 40 0 HKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 ZINC000225022135 568609414 /nfs/dbraw/zinc/60/94/14/568609414.db2.gz UTDUZXFATDPHBI-DHIUTWEWSA-N 0 0 402.567 5.096 40 0 HKABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 ZINC000225022173 568609485 /nfs/dbraw/zinc/60/94/85/568609485.db2.gz UTDUZXFATDPHBI-PKTZIBPZSA-N 0 0 402.567 5.096 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000225022194 568609497 /nfs/dbraw/zinc/60/94/97/568609497.db2.gz AQSIMOLTSCPKMK-LJQANCHMSA-N 0 0 409.555 5.607 40 0 HKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 ZINC000225022211 568609568 /nfs/dbraw/zinc/60/95/68/568609568.db2.gz UTDUZXFATDPHBI-XZOQPEGZSA-N 0 0 402.567 5.096 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000225022233 568609520 /nfs/dbraw/zinc/60/95/20/568609520.db2.gz AQSIMOLTSCPKMK-IBGZPJMESA-N 0 0 409.555 5.607 40 0 HKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 ZINC000225022255 568609534 /nfs/dbraw/zinc/60/95/34/568609534.db2.gz UTDUZXFATDPHBI-GOTSBHOMSA-N 0 0 402.567 5.096 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)c(I)c1 ZINC000225023099 568609633 /nfs/dbraw/zinc/60/96/33/568609633.db2.gz BERWHSZAFJSNDX-UHFFFAOYSA-N 0 0 406.050 5.159 40 0 HKABRN Cc1ccc(C(=O)Nc2c(Cl)cccc2Cl)c(I)c1 ZINC000225023152 568609642 /nfs/dbraw/zinc/60/96/42/568609642.db2.gz NNMZJMHIIULHII-UHFFFAOYSA-N 0 0 406.050 5.159 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccc4c(c3)sc(=O)n4C)cc2)cc1 ZINC000225023283 568609693 /nfs/dbraw/zinc/60/96/93/568609693.db2.gz VZLKGXXZQMUSDX-UHFFFAOYSA-N 0 0 420.559 5.453 40 0 HKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000225023408 568609619 /nfs/dbraw/zinc/60/96/19/568609619.db2.gz RSDWBEKEIRFFPZ-VWLOTQADSA-N 0 0 420.597 5.184 40 0 HKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000225023444 568609612 /nfs/dbraw/zinc/60/96/12/568609612.db2.gz RSDWBEKEIRFFPZ-RUZDIDTESA-N 0 0 420.597 5.184 40 0 HKABRN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1 ZINC000225023927 568609627 /nfs/dbraw/zinc/60/96/27/568609627.db2.gz HQZUDENLBFWTNR-GOSISDBHSA-N 0 0 421.562 5.796 40 0 HKABRN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1 ZINC000225023968 568609646 /nfs/dbraw/zinc/60/96/46/568609646.db2.gz HQZUDENLBFWTNR-SFHVURJKSA-N 0 0 421.562 5.796 40 0 HKABRN COc1ccc(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C ZINC000225024799 568609648 /nfs/dbraw/zinc/60/96/48/568609648.db2.gz VSDHYGXTWYMZEP-UHFFFAOYSA-N 0 0 415.533 5.713 40 0 HKABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1C ZINC000225024820 568609660 /nfs/dbraw/zinc/60/96/60/568609660.db2.gz OSYYBSQFHFNKRF-DNQXCXABSA-N 0 0 416.594 5.404 40 0 HKABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1C ZINC000225024862 568609625 /nfs/dbraw/zinc/60/96/25/568609625.db2.gz OSYYBSQFHFNKRF-RPWUZVMVSA-N 0 0 416.594 5.404 40 0 HKABRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c(I)c1 ZINC000225024897 568609599 /nfs/dbraw/zinc/60/95/99/568609599.db2.gz VBRMFUORVHKKOU-AWEZNQCLSA-N 0 0 421.322 5.388 40 0 HKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1C ZINC000225024900 568609650 /nfs/dbraw/zinc/60/96/50/568609650.db2.gz OSYYBSQFHFNKRF-BJKOFHAPSA-N 0 0 416.594 5.404 40 0 HKABRN Cc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c(I)c1 ZINC000225024933 568609653 /nfs/dbraw/zinc/60/96/53/568609653.db2.gz VBRMFUORVHKKOU-CQSZACIVSA-N 0 0 421.322 5.388 40 0 HKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1C ZINC000225024935 568609698 /nfs/dbraw/zinc/60/96/98/568609698.db2.gz OSYYBSQFHFNKRF-ZEQRLZLVSA-N 0 0 416.594 5.404 40 0 HKABRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)C1(c2ccccc2)CCOCC1 ZINC000225025313 568609825 /nfs/dbraw/zinc/60/98/25/568609825.db2.gz UJCRSHJYGFGYNE-UHFFFAOYSA-N 0 0 424.393 5.091 40 0 HKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225025522 568609828 /nfs/dbraw/zinc/60/98/28/568609828.db2.gz NDCFKENMNLZKBB-VWLOTQADSA-N 0 0 420.597 5.102 40 0 HKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225025558 568609808 /nfs/dbraw/zinc/60/98/08/568609808.db2.gz NDCFKENMNLZKBB-RUZDIDTESA-N 0 0 420.597 5.102 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1C1CCCC1 ZINC000225025676 568609796 /nfs/dbraw/zinc/60/97/96/568609796.db2.gz SKDUNOPYXNMIDV-FCHUYYIVSA-N 0 0 421.591 5.741 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1C1CCCC1 ZINC000225025710 568609835 /nfs/dbraw/zinc/60/98/35/568609835.db2.gz SKDUNOPYXNMIDV-FGZHOGPDSA-N 0 0 421.591 5.741 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1C1CCCC1 ZINC000225025747 568609834 /nfs/dbraw/zinc/60/98/34/568609834.db2.gz SKDUNOPYXNMIDV-VXKWHMMOSA-N 0 0 421.591 5.741 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1C1CCCC1 ZINC000225025779 568609809 /nfs/dbraw/zinc/60/98/09/568609809.db2.gz SKDUNOPYXNMIDV-YADHBBJMSA-N 0 0 421.591 5.741 40 0 HKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2cccc(OC(C)C)c2)cc1 ZINC000225026056 568609792 /nfs/dbraw/zinc/60/97/92/568609792.db2.gz SXINBQIDCLEJPK-JCMHNJIXSA-N 0 0 420.534 5.253 40 0 HKABRN Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 ZINC000225026185 568609821 /nfs/dbraw/zinc/60/98/21/568609821.db2.gz GFBFCQCBJVDCIT-FGZHOGPDSA-N 0 0 407.514 5.396 40 0 HKABRN Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 ZINC000225026223 568609826 /nfs/dbraw/zinc/60/98/26/568609826.db2.gz GFBFCQCBJVDCIT-YADHBBJMSA-N 0 0 407.514 5.396 40 0 HKABRN Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 ZINC000225026263 568609827 /nfs/dbraw/zinc/60/98/27/568609827.db2.gz GFBFCQCBJVDCIT-FCHUYYIVSA-N 0 0 407.514 5.396 40 0 HKABRN Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 ZINC000225026303 568609812 /nfs/dbraw/zinc/60/98/12/568609812.db2.gz GFBFCQCBJVDCIT-VXKWHMMOSA-N 0 0 407.514 5.396 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C1CCCC1 ZINC000225026361 568609798 /nfs/dbraw/zinc/60/97/98/568609798.db2.gz AYCZNKBIKWXXJH-FCHUYYIVSA-N 0 0 423.969 5.910 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C1CCCC1 ZINC000225026396 568609816 /nfs/dbraw/zinc/60/98/16/568609816.db2.gz AYCZNKBIKWXXJH-FGZHOGPDSA-N 0 0 423.969 5.910 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C1CCCC1 ZINC000225026435 568609806 /nfs/dbraw/zinc/60/98/06/568609806.db2.gz AYCZNKBIKWXXJH-VXKWHMMOSA-N 0 0 423.969 5.910 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C1CCCC1 ZINC000225026472 568609843 /nfs/dbraw/zinc/60/98/43/568609843.db2.gz AYCZNKBIKWXXJH-YADHBBJMSA-N 0 0 423.969 5.910 40 0 HKABRN Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)c(I)c1 ZINC000225027663 568610004 /nfs/dbraw/zinc/61/00/04/568610004.db2.gz GXMQOBAAEWKWAK-UHFFFAOYSA-N 0 0 413.258 5.519 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)c(I)c1 ZINC000225028535 568609944 /nfs/dbraw/zinc/60/99/44/568609944.db2.gz VWSHCKBABZKQSB-UHFFFAOYSA-N 0 0 421.278 5.173 40 0 HKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000225029079 568609950 /nfs/dbraw/zinc/60/99/50/568609950.db2.gz OCFVYPDBPUGZIX-VWLOTQADSA-N 0 0 420.597 5.102 40 0 HKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000225029123 568609965 /nfs/dbraw/zinc/60/99/65/568609965.db2.gz OCFVYPDBPUGZIX-RUZDIDTESA-N 0 0 420.597 5.102 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)c(I)c1 ZINC000225030626 568610101 /nfs/dbraw/zinc/61/01/01/568610101.db2.gz JIDISZUZFAYSTJ-UHFFFAOYSA-N 0 0 413.258 5.104 40 0 HKABRN CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 ZINC000225034655 568610315 /nfs/dbraw/zinc/61/03/15/568610315.db2.gz QLQZGANGKMNDKX-XMMPIXPASA-N 0 0 409.570 5.261 40 0 HKABRN CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 ZINC000225034693 568610308 /nfs/dbraw/zinc/61/03/08/568610308.db2.gz QLQZGANGKMNDKX-DEOSSOPVSA-N 0 0 409.570 5.261 40 0 HKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000225034893 568610274 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HKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 ZINC000225069416 568612315 /nfs/dbraw/zinc/61/23/15/568612315.db2.gz UNOICXPJQVSFEA-RUZDIDTESA-N 0 0 420.597 5.184 40 0 HKABRN O=C(Nc1ccc(Br)c(Cl)c1)c1cc(Br)ccc1Cl ZINC000225071185 559269275 /nfs/dbraw/zinc/26/92/75/559269275.db2.gz WQCDLTFLINLVMS-UHFFFAOYSA-N 0 0 423.919 5.771 40 0 HKABRN O=C(Nc1ccccc1Sc1ccccc1)c1cc(Br)ccc1Cl ZINC000225071300 569284735 /nfs/dbraw/zinc/28/47/35/569284735.db2.gz MOXCGBNOIXGZMB-UHFFFAOYSA-N 0 0 418.743 6.506 40 0 HKABRN O=C(NC(c1ccccc1)c1ccccc1)c1cc(Br)ccc1Cl ZINC000225071866 569284700 /nfs/dbraw/zinc/28/47/00/569284700.db2.gz SSWUNYWHXKWTHS-UHFFFAOYSA-N 0 0 400.703 5.622 40 0 HKABRN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(Br)ccc1Cl ZINC000225073895 568612700 /nfs/dbraw/zinc/61/27/00/568612700.db2.gz GSMIXHGZEWNRCL-UHFFFAOYSA-N 0 0 414.686 5.586 40 0 HKABRN CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)Cc1ccc(Cl)cc1F ZINC000225074052 568612683 /nfs/dbraw/zinc/61/26/83/568612683.db2.gz SGOANDFGLSHJPZ-UHFFFAOYSA-N 0 0 415.896 5.028 40 0 HKABRN CC(C)Oc1cccc(CCCNC(=O)c2cc(Br)ccc2Cl)c1 ZINC000225074143 568612732 /nfs/dbraw/zinc/61/27/32/568612732.db2.gz ANDYRWDIYVXMBZ-UHFFFAOYSA-N 0 0 410.739 5.252 40 0 HKABRN CC(C)Oc1ccc(CCCNC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000225074196 568612709 /nfs/dbraw/zinc/61/27/09/568612709.db2.gz KHCCNDAVTYIQEK-UHFFFAOYSA-N 0 0 410.739 5.252 40 0 HKABRN CC(C)(C)c1ccc(OCCNC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000225075103 568612725 /nfs/dbraw/zinc/61/27/25/568612725.db2.gz ACNINIHCNXTNIJ-UHFFFAOYSA-N 0 0 410.739 5.209 40 0 HKABRN O=C(NCCCc1cccc2ccccc21)c1cc(Br)ccc1Cl ZINC000225075404 568612744 /nfs/dbraw/zinc/61/27/44/568612744.db2.gz NXFBNLDODLQBRW-UHFFFAOYSA-N 0 0 402.719 5.618 40 0 HKABRN C[C@@H](CNC(=O)c1cc(Br)ccc1Cl)Cc1cccc2ccccc21 ZINC000225075453 568612714 /nfs/dbraw/zinc/61/27/14/568612714.db2.gz AKVQBDREOWCGBG-CQSZACIVSA-N 0 0 416.746 5.864 40 0 HKABRN C[C@H](CNC(=O)c1cc(Br)ccc1Cl)Cc1cccc2ccccc21 ZINC000225075503 568612664 /nfs/dbraw/zinc/61/26/64/568612664.db2.gz AKVQBDREOWCGBG-AWEZNQCLSA-N 0 0 416.746 5.864 40 0 HKABRN CCn1c2ccc(NC(=O)c3ccc(CSc4ccccc4)cc3)cc2sc1=O ZINC000225075764 568612711 /nfs/dbraw/zinc/61/27/11/568612711.db2.gz TXRYSBDTAAZGPF-UHFFFAOYSA-N 0 0 420.559 5.628 40 0 HKABRN CCN(CCCNC(=O)c1cc(Br)ccc1Cl)c1ccc(C)cc1 ZINC000225076069 568612716 /nfs/dbraw/zinc/61/27/16/568612716.db2.gz WLNCJYVNUMTIKQ-UHFFFAOYSA-N 0 0 409.755 5.057 40 0 HKABRN COc1ccc(/C=C(/C(=O)Nc2nnc(SC(C)C)s2)c2ccccc2)cc1 ZINC000225076592 568612885 /nfs/dbraw/zinc/61/28/85/568612885.db2.gz QXQXSOJRBCLCLI-QGOAFFKASA-N 0 0 411.552 5.227 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)c2cc(Br)ccc2Cl)c2ccccc2O1 ZINC000225076994 568612849 /nfs/dbraw/zinc/61/28/49/568612849.db2.gz JLYKRBJPRIXNCH-QGZVFWFLSA-N 0 0 422.750 5.915 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)c2cc(Br)ccc2Cl)c2ccccc2O1 ZINC000225077029 568612880 /nfs/dbraw/zinc/61/28/80/568612880.db2.gz JLYKRBJPRIXNCH-KRWDZBQOSA-N 0 0 422.750 5.915 40 0 HKABRN CCn1c(=O)sc2cc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)ccc21 ZINC000225077689 568612832 /nfs/dbraw/zinc/61/28/32/568612832.db2.gz ZETOEIOFKMNUKU-HMMYKYKNSA-N 0 0 400.503 5.262 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1F)NCCSCc1ccccc1Cl ZINC000225080983 568613090 /nfs/dbraw/zinc/61/30/90/568613090.db2.gz IIKSAKQUUOPCJO-UHFFFAOYSA-N 0 0 418.386 5.415 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3cccc4c3CCCC4)ccc21 ZINC000225081437 568613095 /nfs/dbraw/zinc/61/30/95/568613095.db2.gz ZFGTYJXZEDDCJH-GOSISDBHSA-N 0 0 412.533 6.099 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3cccc4c3CCCC4)ccc21 ZINC000225081488 568613039 /nfs/dbraw/zinc/61/30/39/568613039.db2.gz ZFGTYJXZEDDCJH-SFHVURJKSA-N 0 0 412.533 6.099 40 0 HKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225084337 568613300 /nfs/dbraw/zinc/61/33/00/568613300.db2.gz MMQWPEOMMJOYIP-FGZHOGPDSA-N 0 0 422.613 5.383 40 0 HKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225084383 568613245 /nfs/dbraw/zinc/61/32/45/568613245.db2.gz MMQWPEOMMJOYIP-FCHUYYIVSA-N 0 0 422.613 5.383 40 0 HKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225084406 568613220 /nfs/dbraw/zinc/61/32/20/568613220.db2.gz MMQWPEOMMJOYIP-YADHBBJMSA-N 0 0 422.613 5.383 40 0 HKABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225084445 568613288 /nfs/dbraw/zinc/61/32/88/568613288.db2.gz MMQWPEOMMJOYIP-VXKWHMMOSA-N 0 0 422.613 5.383 40 0 HKABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000225091216 568613653 /nfs/dbraw/zinc/61/36/53/568613653.db2.gz RZBLQUIFAKEYAJ-XMMPIXPASA-N 0 0 422.613 5.250 40 0 HKABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000225091255 568613645 /nfs/dbraw/zinc/61/36/45/568613645.db2.gz RZBLQUIFAKEYAJ-DEOSSOPVSA-N 0 0 422.613 5.250 40 0 HKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 ZINC000225092400 568613633 /nfs/dbraw/zinc/61/36/33/568613633.db2.gz NSWDPQGUBIPIAZ-VWLOTQADSA-N 0 0 420.597 5.102 40 0 HKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 ZINC000225092438 568613762 /nfs/dbraw/zinc/61/37/62/568613762.db2.gz NSWDPQGUBIPIAZ-RUZDIDTESA-N 0 0 420.597 5.102 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)CCCSc2ccc(Cl)cc2)c2ccccc2O1 ZINC000225093737 568614049 /nfs/dbraw/zinc/61/40/49/568614049.db2.gz RCLKAMUBDXKNOW-HXUWFJFHSA-N 0 0 418.002 6.411 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)CCCSc2ccc(Cl)cc2)c2ccccc2O1 ZINC000225093786 568614057 /nfs/dbraw/zinc/61/40/57/568614057.db2.gz RCLKAMUBDXKNOW-FQEVSTJZSA-N 0 0 418.002 6.411 40 0 HKABRN CCn1c2ccc(NC(=O)c3ccccc3SCc3ccccc3)cc2sc1=O ZINC000225096117 568614221 /nfs/dbraw/zinc/61/42/21/568614221.db2.gz BSHCACJIOYSSBH-UHFFFAOYSA-N 0 0 420.559 5.628 40 0 HKABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225097413 568614230 /nfs/dbraw/zinc/61/42/30/568614230.db2.gz ZYTMIKLBIQPNPV-XMMPIXPASA-N 0 0 408.586 5.076 40 0 HKABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225097454 568614252 /nfs/dbraw/zinc/61/42/52/568614252.db2.gz ZYTMIKLBIQPNPV-DEOSSOPVSA-N 0 0 408.586 5.076 40 0 HKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C ZINC000225098549 568614409 /nfs/dbraw/zinc/61/44/09/568614409.db2.gz PPGUMRCFHAATMC-VWLOTQADSA-N 0 0 420.597 5.102 40 0 HKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C ZINC000225098591 568614426 /nfs/dbraw/zinc/61/44/26/568614426.db2.gz PPGUMRCFHAATMC-RUZDIDTESA-N 0 0 420.597 5.102 40 0 HKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 ZINC000225098638 568614382 /nfs/dbraw/zinc/61/43/82/568614382.db2.gz CGNLPAYDAJMXBP-VWLOTQADSA-N 0 0 420.597 5.102 40 0 HKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 ZINC000225098678 568614376 /nfs/dbraw/zinc/61/43/76/568614376.db2.gz CGNLPAYDAJMXBP-RUZDIDTESA-N 0 0 420.597 5.102 40 0 HKABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000225100018 568614412 /nfs/dbraw/zinc/61/44/12/568614412.db2.gz LKHGDULUKXQGHP-RUZDIDTESA-N 0 0 416.565 5.106 40 0 HKABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000225100052 568614373 /nfs/dbraw/zinc/61/43/73/568614373.db2.gz LKHGDULUKXQGHP-VWLOTQADSA-N 0 0 416.565 5.106 40 0 HKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 ZINC000225101064 568614547 /nfs/dbraw/zinc/61/45/47/568614547.db2.gz YNBNZAYSHWSUKT-VWLOTQADSA-N 0 0 420.597 5.184 40 0 HKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 ZINC000225101109 568614567 /nfs/dbraw/zinc/61/45/67/568614567.db2.gz YNBNZAYSHWSUKT-RUZDIDTESA-N 0 0 420.597 5.184 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000225102493 568614573 /nfs/dbraw/zinc/61/45/73/568614573.db2.gz BGHAHNOZLUBFIC-OAHLLOKOSA-N 0 0 408.310 5.308 40 0 HKABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000225102538 568614553 /nfs/dbraw/zinc/61/45/53/568614553.db2.gz BGHAHNOZLUBFIC-HNNXBMFYSA-N 0 0 408.310 5.308 40 0 HKABRN CCn1c2ccc(NC(=O)c3ccccc3CCc3ccccc3)cc2sc1=O ZINC000225102668 568614561 /nfs/dbraw/zinc/61/45/61/568614561.db2.gz QYXZPNKJXWRUAE-UHFFFAOYSA-N 0 0 402.519 5.120 40 0 HKABRN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)/C(=C/c1ccccc1)c1ccccc1 ZINC000225102861 568614570 /nfs/dbraw/zinc/61/45/70/568614570.db2.gz DHPNSHWZTGECLC-HMMYKYKNSA-N 0 0 417.921 6.038 40 0 HKABRN CCn1c2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc2sc1=O ZINC000225103897 568614812 /nfs/dbraw/zinc/61/48/12/568614812.db2.gz XLCMPPDCRKATSR-UHFFFAOYSA-N 0 0 402.519 5.244 40 0 HKABRN O=C(NCCSC1CCCC1)c1ccc(OCCSc2ccccc2)cc1 ZINC000225106148 568614803 /nfs/dbraw/zinc/61/48/03/568614803.db2.gz XUZMDGAWIFTZAS-UHFFFAOYSA-N 0 0 401.597 5.263 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc2c(c1)sc(=O)n2CC ZINC000225108354 568614929 /nfs/dbraw/zinc/61/49/29/568614929.db2.gz SPOQUOKOMDMPSC-LJQANCHMSA-N 0 0 406.507 5.032 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc2c(c1)sc(=O)n2CC ZINC000225108391 568614997 /nfs/dbraw/zinc/61/49/97/568614997.db2.gz SPOQUOKOMDMPSC-IBGZPJMESA-N 0 0 406.507 5.032 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC ZINC000225108448 568614935 /nfs/dbraw/zinc/61/49/35/568614935.db2.gz NNPZZTUCTFRCBA-HXUWFJFHSA-N 0 0 406.507 5.032 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC ZINC000225108484 568614955 /nfs/dbraw/zinc/61/49/55/568614955.db2.gz NNPZZTUCTFRCBA-FQEVSTJZSA-N 0 0 406.507 5.032 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC ZINC000225108816 568614992 /nfs/dbraw/zinc/61/49/92/568614992.db2.gz HEAWLWRLXJLSJV-MRXNPFEDSA-N 0 0 406.960 5.246 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC ZINC000225108852 568615011 /nfs/dbraw/zinc/61/50/11/568615011.db2.gz HEAWLWRLXJLSJV-INIZCTEOSA-N 0 0 406.960 5.246 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1F)N(Cc1ccccc1)Cc1ccccc1 ZINC000225120569 568615515 /nfs/dbraw/zinc/61/55/15/568615515.db2.gz KLBKLIRANDVGMV-UHFFFAOYSA-N 0 0 413.945 5.941 40 0 HKABRN CCn1c(=O)sc2cc(NC(=O)CCCSc3ccc(Cl)cc3)ccc21 ZINC000225120906 568615496 /nfs/dbraw/zinc/61/54/96/568615496.db2.gz IHOZIKJPKDYMSN-UHFFFAOYSA-N 0 0 406.960 5.247 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC ZINC000225121813 568615519 /nfs/dbraw/zinc/61/55/19/568615519.db2.gz GLIVMHZULZKNRS-LJQANCHMSA-N 0 0 412.555 5.177 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC ZINC000225121843 568615478 /nfs/dbraw/zinc/61/54/78/568615478.db2.gz GLIVMHZULZKNRS-IBGZPJMESA-N 0 0 412.555 5.177 40 0 HKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 ZINC000225123544 568615740 /nfs/dbraw/zinc/61/57/40/568615740.db2.gz ALGBCILFKIAKLK-VWLOTQADSA-N 0 0 420.597 5.102 40 0 HKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 ZINC000225123579 568615759 /nfs/dbraw/zinc/61/57/59/568615759.db2.gz ALGBCILFKIAKLK-RUZDIDTESA-N 0 0 420.597 5.102 40 0 HKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225124592 568615721 /nfs/dbraw/zinc/61/57/21/568615721.db2.gz ISNSPBSHGKHFRN-FGZHOGPDSA-N 0 0 422.613 5.383 40 0 HKABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225124631 568615729 /nfs/dbraw/zinc/61/57/29/568615729.db2.gz ISNSPBSHGKHFRN-FCHUYYIVSA-N 0 0 422.613 5.383 40 0 HKABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225124669 568615739 /nfs/dbraw/zinc/61/57/39/568615739.db2.gz ISNSPBSHGKHFRN-YADHBBJMSA-N 0 0 422.613 5.383 40 0 HKABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225124704 568615704 /nfs/dbraw/zinc/61/57/04/568615704.db2.gz ISNSPBSHGKHFRN-VXKWHMMOSA-N 0 0 422.613 5.383 40 0 HKABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225128027 568616087 /nfs/dbraw/zinc/61/60/87/568616087.db2.gz UXJOPUJHVWHTMO-RUZDIDTESA-N 0 0 422.613 5.385 40 0 HKABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225128064 568616170 /nfs/dbraw/zinc/61/61/70/568616170.db2.gz UXJOPUJHVWHTMO-VWLOTQADSA-N 0 0 422.613 5.385 40 0 HKABRN CC(C)n1c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2sc1=O ZINC000225128901 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CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C ZINC000225163811 568619637 /nfs/dbraw/zinc/61/96/37/568619637.db2.gz VOOULUIOTYGESX-KRWDZBQOSA-N 0 0 404.919 5.093 40 0 HKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C ZINC000225164049 568619630 /nfs/dbraw/zinc/61/96/30/568619630.db2.gz NCHVMQDREANADG-HXUWFJFHSA-N 0 0 420.534 5.593 40 0 HKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C ZINC000225164093 568619620 /nfs/dbraw/zinc/61/96/20/568619620.db2.gz NCHVMQDREANADG-FQEVSTJZSA-N 0 0 420.534 5.593 40 0 HKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C ZINC000225164146 568619639 /nfs/dbraw/zinc/61/96/39/568619639.db2.gz HNFMSYGKGMDSCQ-OAQYLSRUSA-N 0 0 420.534 5.593 40 0 HKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C ZINC000225164184 568619634 /nfs/dbraw/zinc/61/96/34/568619634.db2.gz HNFMSYGKGMDSCQ-NRFANRHFSA-N 0 0 420.534 5.593 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C ZINC000225164503 568619615 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O=C(CSCc1ccc(Cl)cc1F)Nc1cc(C(F)(F)F)ccc1Cl ZINC000225167855 568619946 /nfs/dbraw/zinc/61/99/46/568619946.db2.gz QZBCLXFNXXFWIO-UHFFFAOYSA-N 0 0 412.235 6.023 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000225172567 568620360 /nfs/dbraw/zinc/62/03/60/568620360.db2.gz UHEWZYOYTWKUSF-RUZDIDTESA-N 0 0 400.522 5.347 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000225172606 568620373 /nfs/dbraw/zinc/62/03/73/568620373.db2.gz UHEWZYOYTWKUSF-VWLOTQADSA-N 0 0 400.522 5.347 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(Cc2ccncc2)cc1 ZINC000225173269 568620353 /nfs/dbraw/zinc/62/03/53/568620353.db2.gz GMKDQUJTQUMZAV-UHFFFAOYSA-N 0 0 400.906 5.337 40 0 HKABRN O=C(CCCSc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000225174207 568620346 /nfs/dbraw/zinc/62/03/46/568620346.db2.gz WYRPZBLWBIRTDB-UHFFFAOYSA-N 0 0 424.378 6.023 40 0 HKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000225174359 568620378 /nfs/dbraw/zinc/62/03/78/568620378.db2.gz DVKJLRJPVZFZJC-QGZVFWFLSA-N 0 0 413.568 5.243 40 0 HKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000225174398 568620290 /nfs/dbraw/zinc/62/02/90/568620290.db2.gz DVKJLRJPVZFZJC-KRWDZBQOSA-N 0 0 413.568 5.243 40 0 HKABRN CC(C)n1c(=O)sc2cc(NC(=O)CCCSc3ccc(Cl)cc3)ccc21 ZINC000225175717 568620618 /nfs/dbraw/zinc/62/06/18/568620618.db2.gz SGRFNTICKKGFTD-UHFFFAOYSA-N 0 0 420.987 5.808 40 0 HKABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000225175844 568620541 /nfs/dbraw/zinc/62/05/41/568620541.db2.gz OKZSUMYTJZIKSU-SFHVURJKSA-N 0 0 413.568 5.189 40 0 HKABRN CCc1ccc(O[C@H](CC)C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000225175885 568620598 /nfs/dbraw/zinc/62/05/98/568620598.db2.gz OKZSUMYTJZIKSU-GOSISDBHSA-N 0 0 413.568 5.189 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)ccc1Cl ZINC000225176608 568620573 /nfs/dbraw/zinc/62/05/73/568620573.db2.gz UXOAKPCCKWWVDX-ZDUSSCGKSA-N 0 0 404.919 5.012 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)ccc1Cl ZINC000225176648 568620624 /nfs/dbraw/zinc/62/06/24/568620624.db2.gz UXOAKPCCKWWVDX-CYBMUJFWSA-N 0 0 404.919 5.012 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C ZINC000225177184 568620527 /nfs/dbraw/zinc/62/05/27/568620527.db2.gz SIQZINIPVSFZDB-GOSISDBHSA-N 0 0 418.946 5.402 40 0 HKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C ZINC000225177222 568620523 /nfs/dbraw/zinc/62/05/23/568620523.db2.gz SIQZINIPVSFZDB-SFHVURJKSA-N 0 0 418.946 5.402 40 0 HKABRN Nc1c(-c2ccccc2Cl)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1 ZINC000225177515 568620706 /nfs/dbraw/zinc/62/07/06/568620706.db2.gz BYGUCGXCNRKKPW-UHFFFAOYSA-N 0 0 405.729 5.813 40 0 HKABRN Nc1c(-c2cccc(Cl)c2)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1 ZINC000225177802 568620815 /nfs/dbraw/zinc/62/08/15/568620815.db2.gz DZBPJGLVBRXZTB-UHFFFAOYSA-N 0 0 405.729 5.813 40 0 HKABRN Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1 ZINC000225178037 568620778 /nfs/dbraw/zinc/62/07/78/568620778.db2.gz PZGXESXNMAJYTL-UHFFFAOYSA-N 0 0 405.729 5.813 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 ZINC000225178238 568620725 /nfs/dbraw/zinc/62/07/25/568620725.db2.gz CERAMXBCBRYSHB-INIZCTEOSA-N 0 0 412.555 5.482 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 ZINC000225178277 568620721 /nfs/dbraw/zinc/62/07/21/568620721.db2.gz CERAMXBCBRYSHB-MRXNPFEDSA-N 0 0 412.555 5.482 40 0 HKABRN CC(C)n1c(=O)sc2cc(NC(=O)CSCc3ccc(Cl)cc3F)ccc21 ZINC000225179552 568620813 /nfs/dbraw/zinc/62/08/13/568620813.db2.gz HDIKTUFKLSERFX-UHFFFAOYSA-N 0 0 424.950 5.308 40 0 HKABRN Cc1nc(-c2cccc(NC(=S)NCc3ccc(Cl)cc3Cl)c2)cs1 ZINC000225179960 568620729 /nfs/dbraw/zinc/62/07/29/568620729.db2.gz BUJRTPNPTIYFEF-UHFFFAOYSA-N 0 0 408.379 5.912 40 0 HKABRN Nc1c(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)nn1-c1cccc(Cl)c1 ZINC000225180306 568620767 /nfs/dbraw/zinc/62/07/67/568620767.db2.gz OAFJSPIJXCCIKQ-UHFFFAOYSA-N 0 0 406.622 6.101 40 0 HKABRN Nc1c(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)nn1-c1ccc(Cl)cc1 ZINC000225180360 568620810 /nfs/dbraw/zinc/62/08/10/568620810.db2.gz IHZCRRHVCPWSRZ-UHFFFAOYSA-N 0 0 406.622 6.101 40 0 HKABRN Nc1c(-c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)nn1-c1cccc(Cl)c1 ZINC000225180589 568620743 /nfs/dbraw/zinc/62/07/43/568620743.db2.gz WGVHORUEFOTKTM-UHFFFAOYSA-N 0 0 406.622 6.101 40 0 HKABRN Nc1c(-c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)nn1-c1ccc(Cl)cc1 ZINC000225180640 568620807 /nfs/dbraw/zinc/62/08/07/568620807.db2.gz XLYWAAZGNDQISM-UHFFFAOYSA-N 0 0 406.622 6.101 40 0 HKABRN Cc1nc(-c2cccc(NC(=S)NC(c3ccccc3)c3ccccc3)c2)cs1 ZINC000225180850 568620754 /nfs/dbraw/zinc/62/07/54/568620754.db2.gz DXMWVHFAGQYVKE-UHFFFAOYSA-N 0 0 415.587 6.195 40 0 HKABRN Nc1c(-c2c(Cl)cccc2Cl)c(C(F)(F)F)nn1-c1cccc(Cl)c1 ZINC000225180916 568620931 /nfs/dbraw/zinc/62/09/31/568620931.db2.gz QATLOPNXQNCESI-UHFFFAOYSA-N 0 0 406.622 6.101 40 0 HKABRN Nc1c(-c2c(Cl)cccc2Cl)c(C(F)(F)F)nn1-c1ccc(Cl)cc1 ZINC000225180967 568620937 /nfs/dbraw/zinc/62/09/37/568620937.db2.gz OEMAUHUQZXLRSV-UHFFFAOYSA-N 0 0 406.622 6.101 40 0 HKABRN Nc1c(-c2cccc(Br)c2)c(C(F)(F)F)nn1-c1cccc(Cl)c1 ZINC000225181251 568620924 /nfs/dbraw/zinc/62/09/24/568620924.db2.gz ATLWJCUCOXNBQH-UHFFFAOYSA-N 0 0 416.628 5.556 40 0 HKABRN Nc1c(-c2cccc(Br)c2)c(C(F)(F)F)nn1-c1ccc(Cl)cc1 ZINC000225181304 568621003 /nfs/dbraw/zinc/62/10/03/568621003.db2.gz PLOTWPYPAZGCRH-UHFFFAOYSA-N 0 0 416.628 5.556 40 0 HKABRN Nc1c(-c2ccc(Br)cc2)c(C(F)(F)F)nn1-c1cccc(Cl)c1 ZINC000225181595 568620978 /nfs/dbraw/zinc/62/09/78/568620978.db2.gz JYQWNAUHCLBJTJ-UHFFFAOYSA-N 0 0 416.628 5.556 40 0 HKABRN Nc1c(-c2ccc(Br)cc2)c(C(F)(F)F)nn1-c1ccc(Cl)cc1 ZINC000225181648 568620923 /nfs/dbraw/zinc/62/09/23/568620923.db2.gz IPIRFAPFBPXHJP-UHFFFAOYSA-N 0 0 416.628 5.556 40 0 HKABRN CC(C)n1c(=O)sc2cc(NC(=O)CCc3ccc(Cl)c(Cl)c3)ccc21 ZINC000225181849 568620926 /nfs/dbraw/zinc/62/09/26/568620926.db2.gz JCXVBSDWZGPEIN-UHFFFAOYSA-N 0 0 409.338 5.522 40 0 HKABRN CC(C)n1c(=O)sc2cc(NC(=O)CCc3c(Cl)cccc3Cl)ccc21 ZINC000225181908 568620932 /nfs/dbraw/zinc/62/09/32/568620932.db2.gz MJMHTWGVJDFFOP-UHFFFAOYSA-N 0 0 409.338 5.522 40 0 HKABRN CC(C)n1c(=O)sc2cc(NC(=O)CCc3ccc(Cl)cc3Cl)ccc21 ZINC000225181963 568620981 /nfs/dbraw/zinc/62/09/81/568620981.db2.gz GIXRYJQYUXOLPL-UHFFFAOYSA-N 0 0 409.338 5.522 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000225182005 568620963 /nfs/dbraw/zinc/62/09/63/568620963.db2.gz GYCYCMDDBDOJEY-XMMPIXPASA-N 0 0 409.570 5.216 40 0 HKABRN Nc1c(-c2cccc3ccccc32)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1 ZINC000225182038 568620930 /nfs/dbraw/zinc/62/09/30/568620930.db2.gz AHBIJXLRJGSHES-UHFFFAOYSA-N 0 0 421.344 6.312 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000225182048 568620991 /nfs/dbraw/zinc/62/09/91/568620991.db2.gz GYCYCMDDBDOJEY-DEOSSOPVSA-N 0 0 409.570 5.216 40 0 HKABRN COc1ccc(-c2c(N)n(-c3cccc(C(F)(F)F)c3)nc2C(F)(F)F)cc1 ZINC000225182368 568620922 /nfs/dbraw/zinc/62/09/22/568620922.db2.gz LBLCGYRUKMXEQW-UHFFFAOYSA-N 0 0 401.310 5.168 40 0 HKABRN CC(C)(C)c1ccc(OCCNC(=O)CSCc2ccc(Cl)cc2F)cc1 ZINC000225183028 568620950 /nfs/dbraw/zinc/62/09/50/568620950.db2.gz ZXSRZDDQIFPTOM-UHFFFAOYSA-N 0 0 409.954 5.205 40 0 HKABRN S=C(Nc1nccc(-c2cccs2)n1)NC(c1ccccc1)c1ccccc1 ZINC000225186189 568621133 /nfs/dbraw/zinc/62/11/33/568621133.db2.gz FMTAHYODEYOWIK-UHFFFAOYSA-N 0 0 402.548 5.281 40 0 HKABRN S=C(NCc1ccc(Cl)cc1Cl)Nc1ccc(Oc2ccccc2)nn1 ZINC000225187788 568621131 /nfs/dbraw/zinc/62/11/31/568621131.db2.gz KXNQTTGVDQAOJW-UHFFFAOYSA-N 0 0 405.310 5.062 40 0 HKABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225188694 568621350 /nfs/dbraw/zinc/62/13/50/568621350.db2.gz NZKFJUACZIHJHM-RUZDIDTESA-N 0 0 422.613 5.385 40 0 HKABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225188730 568621303 /nfs/dbraw/zinc/62/13/03/568621303.db2.gz NZKFJUACZIHJHM-VWLOTQADSA-N 0 0 422.613 5.385 40 0 HKABRN S=C(Nc1ccc(Oc2ccccc2)nn1)NC(c1ccccc1)c1ccccc1 ZINC000225189053 568621330 /nfs/dbraw/zinc/62/13/30/568621330.db2.gz CKIDCYKOVDTGEF-UHFFFAOYSA-N 0 0 412.518 5.345 40 0 HKABRN S=C(NCCC1=CCCCC1)Nc1cccnc1Sc1ccc(Cl)cc1 ZINC000225190220 568621293 /nfs/dbraw/zinc/62/12/93/568621293.db2.gz PLXATRWCWNEPHV-UHFFFAOYSA-N 0 0 404.004 6.063 40 0 HKABRN S=C(NCc1ccccc1Cl)Nc1cccnc1Sc1ccc(Cl)cc1 ZINC000225190614 568621451 /nfs/dbraw/zinc/62/14/51/568621451.db2.gz IDLSAGFWGROCHD-UHFFFAOYSA-N 0 0 420.390 6.026 40 0 HKABRN S=C(NCc1ccc(Cl)cc1)Nc1cccnc1Sc1ccc(Cl)cc1 ZINC000225190677 568621522 /nfs/dbraw/zinc/62/15/22/568621522.db2.gz XSUYMUDIRBYCDQ-UHFFFAOYSA-N 0 0 420.390 6.026 40 0 HKABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000225190742 568621415 /nfs/dbraw/zinc/62/14/15/568621415.db2.gz WPGDHBOPRHYQCW-DEOSSOPVSA-N 0 0 424.560 5.015 40 0 HKABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000225190783 568621516 /nfs/dbraw/zinc/62/15/16/568621516.db2.gz WPGDHBOPRHYQCW-XMMPIXPASA-N 0 0 424.560 5.015 40 0 HKABRN COc1ccc(CNC(=S)Nc2cccnc2Sc2ccc(Cl)cc2)cc1 ZINC000225190797 568621502 /nfs/dbraw/zinc/62/15/02/568621502.db2.gz SAXIFMFZBBAQRM-UHFFFAOYSA-N 0 0 415.971 5.381 40 0 HKABRN CC[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(OC)c(C)c1 ZINC000225190848 568621457 /nfs/dbraw/zinc/62/14/57/568621457.db2.gz IICFNJQMHBNIBZ-GOSISDBHSA-N 0 0 412.382 5.811 40 0 HKABRN CC[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(OC)c(C)c1 ZINC000225190895 568621548 /nfs/dbraw/zinc/62/15/48/568621548.db2.gz IICFNJQMHBNIBZ-SFHVURJKSA-N 0 0 412.382 5.811 40 0 HKABRN COc1ccccc1CNC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 ZINC000225191567 568621449 /nfs/dbraw/zinc/62/14/49/568621449.db2.gz JLLAPGYQYZLCBE-UHFFFAOYSA-N 0 0 415.971 5.381 40 0 HKABRN S=C(Nc1cccnc1Sc1ccc(Cl)cc1)NC1CCCCCCC1 ZINC000225191958 568621454 /nfs/dbraw/zinc/62/14/54/568621454.db2.gz IHELQDHHZKAKCP-UHFFFAOYSA-N 0 0 406.020 6.286 40 0 HKABRN C[C@@H](NC(=S)Nc1cccnc1Sc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000225192369 568621641 /nfs/dbraw/zinc/62/16/41/568621641.db2.gz ILHPRLOIOMOHSS-CYBMUJFWSA-N 0 0 417.962 6.073 40 0 HKABRN C[C@H](NC(=S)Nc1cccnc1Sc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000225192410 568621689 /nfs/dbraw/zinc/62/16/89/568621689.db2.gz ILHPRLOIOMOHSS-ZDUSSCGKSA-N 0 0 417.962 6.073 40 0 HKABRN Cc1cc(Br)cc(C)c1NC(=S)NCc1ccc(Cl)cc1Cl ZINC000225192960 568621611 /nfs/dbraw/zinc/62/16/11/568621611.db2.gz KNWGEGUCXOHYDC-UHFFFAOYSA-N 0 0 418.187 5.859 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)CSCc2ccc(Cl)cc2F)c2ccccc2O1 ZINC000225199330 568622221 /nfs/dbraw/zinc/62/22/21/568622221.db2.gz KTNOKCSFMWNACN-LJQANCHMSA-N 0 0 421.965 5.911 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)CSCc2ccc(Cl)cc2F)c2ccccc2O1 ZINC000225199376 568622245 /nfs/dbraw/zinc/62/22/45/568622245.db2.gz KTNOKCSFMWNACN-IBGZPJMESA-N 0 0 421.965 5.911 40 0 HKABRN CCOc1ccc(Nc2cc(C)nc(NC(=S)NCCC3=CCCCC3)n2)cc1 ZINC000225199512 568622234 /nfs/dbraw/zinc/62/22/34/568622234.db2.gz KXJWAJPCVHWZQK-UHFFFAOYSA-N 0 0 411.575 5.104 40 0 HKABRN CCOc1ccc(Nc2cc(C)nc(NC(=S)NC3CCCCCCC3)n2)cc1 ZINC000225201152 568622476 /nfs/dbraw/zinc/62/24/76/568622476.db2.gz JTGSUGHQOZLUNJ-UHFFFAOYSA-N 0 0 413.591 5.327 40 0 HKABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000225202457 568622572 /nfs/dbraw/zinc/62/25/72/568622572.db2.gz YQNGNJMRHVBTAG-JLPGSUDCSA-N 0 0 422.484 5.249 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc3c4c(cccc42)CC3)c1 ZINC000225202512 568622427 /nfs/dbraw/zinc/62/24/27/568622427.db2.gz KHGLRIFRKAYWQU-JLPGSUDCSA-N 0 0 422.484 5.249 40 0 HKABRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000225202569 568622441 /nfs/dbraw/zinc/62/24/41/568622441.db2.gz ULXVQZCLLYIKDC-JLPGSUDCSA-N 0 0 422.484 5.249 40 0 HKABRN O=C(Nc1ccc2c3c(cccc31)CC2)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000225202739 568622485 /nfs/dbraw/zinc/62/24/85/568622485.db2.gz LVEQAMQHPDJYDJ-KQWNVCNZSA-N 0 0 424.525 5.410 40 0 HKABRN Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)N[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000225205470 568622697 /nfs/dbraw/zinc/62/26/97/568622697.db2.gz ZAOWBWMKKBZTCM-ZDUSSCGKSA-N 0 0 415.925 5.369 40 0 HKABRN Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)N[C@H](C)c2ccc(Cl)cc2)n1 ZINC000225205510 568622701 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COC(=O)c1cc2cc(NC(=S)N[C@H](C)c3ccc(Cl)cc3)ccc2s1 ZINC000225214142 568623826 /nfs/dbraw/zinc/62/38/26/568623826.db2.gz GTEHCFNWOLPDCW-LLVKDONJSA-N 0 0 404.944 5.389 40 0 HKABRN CC(C)Sc1nnc(NC(=O)CSCc2ccc(Cl)cc2Cl)s1 ZINC000225217454 568624110 /nfs/dbraw/zinc/62/41/10/568624110.db2.gz VQFMXNPBCLXXDB-UHFFFAOYSA-N 0 0 408.401 5.217 40 0 HKABRN CC(C)(C)c1ccc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000225219383 568624031 /nfs/dbraw/zinc/62/40/31/568624031.db2.gz LKIUCMXXMKPDPR-UHFFFAOYSA-N 0 0 401.919 5.174 40 0 HKABRN CC(C)(C)c1ccc(C(=O)N2CCS/C2=C\c2nc(-c3ccccc3F)no2)cc1 ZINC000225242065 568625204 /nfs/dbraw/zinc/62/52/04/568625204.db2.gz JSCMNPHOJNQMCD-XSFVSMFZSA-N 0 0 423.513 5.361 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCSCc2ccccc2Cl)c1 ZINC000225244327 568625581 /nfs/dbraw/zinc/62/55/81/568625581.db2.gz QAGATFFCIXKFSP-KRWDZBQOSA-N 0 0 405.991 5.589 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCSCc2ccccc2Cl)c1 ZINC000225244360 568625531 /nfs/dbraw/zinc/62/55/31/568625531.db2.gz 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568625906 /nfs/dbraw/zinc/62/59/06/568625906.db2.gz OWKBXPMSCRJAJV-XDHOZWIPSA-N 0 0 411.527 5.522 40 0 HKABRN Cc1ccc(C(=O)N2CCS/C2=C\c2csc(Nc3ccc(F)cc3)n2)cc1 ZINC000225254047 568626078 /nfs/dbraw/zinc/62/60/78/568626078.db2.gz AKODOSUXPQCLMF-XDHOZWIPSA-N 0 0 411.527 5.522 40 0 HKABRN O=C(c1ccc(F)cc1)N1CCS/C1=C\c1csc(Nc2ccc(F)cc2)n1 ZINC000225254090 568626120 /nfs/dbraw/zinc/62/61/20/568626120.db2.gz BQRBFUCJHURGMR-WOJGMQOQSA-N 0 0 415.490 5.353 40 0 HKABRN O=C(c1ccccc1F)N1CCS/C1=C\c1csc(Nc2ccc(F)cc2)n1 ZINC000225254149 568626057 /nfs/dbraw/zinc/62/60/57/568626057.db2.gz RMWZPKXEBNCIIV-WOJGMQOQSA-N 0 0 415.490 5.353 40 0 HKABRN O=C(c1cccc(F)c1)N1CCS/C1=C\c1csc(Nc2ccc(F)cc2)n1 ZINC000225254201 568626073 /nfs/dbraw/zinc/62/60/73/568626073.db2.gz RTAYTMUNXARQHM-WOJGMQOQSA-N 0 0 415.490 5.353 40 0 HKABRN O=C(C1CCCCC1)N1CCS/C1=C\c1csc(Nc2ccc(F)cc2)n1 ZINC000225254605 568626075 /nfs/dbraw/zinc/62/60/75/568626075.db2.gz XFWXHYHFLHRJFR-LDADJPATSA-N 0 0 403.548 5.480 40 0 HKABRN CCSc1nnc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)s1 ZINC000225254683 568626128 /nfs/dbraw/zinc/62/61/28/568626128.db2.gz TYEFWJKZEJGURI-UHFFFAOYSA-N 0 0 405.932 5.135 40 0 HKABRN CCc1ccc(CC)c(CNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 ZINC000225254740 568626130 /nfs/dbraw/zinc/62/61/30/568626130.db2.gz QWFJFMXGOMDROF-JJIBRWJFSA-N 0 0 403.953 6.322 40 0 HKABRN Cc1ccccc1C(=O)N1CCS/C1=C\c1csc(NCc2ccccc2)n1 ZINC000225256690 568626095 /nfs/dbraw/zinc/62/60/95/568626095.db2.gz OFHSFQNAQBBQHF-DEDYPNTBSA-N 0 0 407.564 5.251 40 0 HKABRN Cc1ccc(C(=O)N2CCS/C2=C\c2csc(NCc3ccccc3)n2)cc1 ZINC000225256739 568626118 /nfs/dbraw/zinc/62/61/18/568626118.db2.gz HXZRYGAPLDOUOM-DEDYPNTBSA-N 0 0 407.564 5.251 40 0 HKABRN O=C(c1ccc(F)cc1)N1CCS/C1=C\c1csc(NCc2ccccc2)n1 ZINC000225256796 568626059 /nfs/dbraw/zinc/62/60/59/568626059.db2.gz BQOXAKVSISWJLJ-XDHOZWIPSA-N 0 0 411.527 5.082 40 0 HKABRN O=C(c1ccccc1F)N1CCS/C1=C\c1csc(NCc2ccccc2)n1 ZINC000225256849 568626142 /nfs/dbraw/zinc/62/61/42/568626142.db2.gz 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ZINC000225259142 568626295 /nfs/dbraw/zinc/62/62/95/568626295.db2.gz XUDONQTVOBWALQ-UHFFFAOYSA-N 0 0 405.457 6.275 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000225259258 568626299 /nfs/dbraw/zinc/62/62/99/568626299.db2.gz XELPHGVRZHECIE-UHFFFAOYSA-N 0 0 413.477 5.439 40 0 HKABRN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000225259513 568626267 /nfs/dbraw/zinc/62/62/67/568626267.db2.gz SRQVLNVQGDWZRQ-UHFFFAOYSA-N 0 0 403.485 5.749 40 0 HKABRN Cc1ccc([C@@H](NC(=O)COc2cc(C)ccc2C(C)C)c2ccccc2)c(C)c1 ZINC000225260334 568626386 /nfs/dbraw/zinc/62/63/86/568626386.db2.gz DDTZYOLASAWOAG-MHZLTWQESA-N 0 0 401.550 6.020 40 0 HKABRN Cc1ccc([C@H](NC(=O)COc2cc(C)ccc2C(C)C)c2ccccc2)c(C)c1 ZINC000225260372 568626251 /nfs/dbraw/zinc/62/62/51/568626251.db2.gz DDTZYOLASAWOAG-HHHXNRCGSA-N 0 0 401.550 6.020 40 0 HKABRN Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4cccc(Br)c4)cc3)nc2c1 ZINC000225261735 568626549 /nfs/dbraw/zinc/62/65/49/568626549.db2.gz ICFQUXFVUIVBFE-UHFFFAOYSA-N 0 0 406.283 5.553 40 0 HKABRN Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccc(Br)cc4)cc3)nc2c1 ZINC000225261774 568626570 /nfs/dbraw/zinc/62/65/70/568626570.db2.gz KNOIFBQLVZLDJQ-UHFFFAOYSA-N 0 0 406.283 5.553 40 0 HKABRN CC(C)(C)c1ccc(C(=O)N2CCS/C2=C\c2csc(-c3cccnc3)n2)cc1 ZINC000225261862 568626633 /nfs/dbraw/zinc/62/66/33/568626633.db2.gz HAVLBRNOSPDIBO-DEDYPNTBSA-N 0 0 421.591 5.690 40 0 HKABRN Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccc(Oc5ccccc5)cc4)cc3)nc2c1 ZINC000225262534 568626598 /nfs/dbraw/zinc/62/65/98/568626598.db2.gz NEAQVBCRRCCULI-UHFFFAOYSA-N 0 0 419.484 6.583 40 0 HKABRN Cc1ccc2[nH]c(-c3ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cc3)nc2c1 ZINC000225263273 568626604 /nfs/dbraw/zinc/62/66/04/568626604.db2.gz UMNHKPQTYIECAA-UHFFFAOYSA-N 0 0 409.533 5.633 40 0 HKABRN Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4Oc4ccccc4)cc3)nc2c1 ZINC000225264183 568626584 /nfs/dbraw/zinc/62/65/84/568626584.db2.gz OSUIKTZEARVBHX-UHFFFAOYSA-N 0 0 419.484 6.583 40 0 HKABRN Cc1ccc2[nH]c(-c3ccc(C(=O)NC(c4ccccc4)c4ccccc4)cc3)nc2c1 ZINC000225264494 568626541 /nfs/dbraw/zinc/62/65/41/568626541.db2.gz HAABSGFOXHGFAT-UHFFFAOYSA-N 0 0 417.512 6.058 40 0 HKABRN COc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000225265728 568626828 /nfs/dbraw/zinc/62/68/28/568626828.db2.gz DFGFEAOBYJKISM-LLVKDONJSA-N 0 0 418.868 5.121 40 0 HKABRN COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000225265765 568626731 /nfs/dbraw/zinc/62/67/31/568626731.db2.gz DFGFEAOBYJKISM-NSHDSACASA-N 0 0 418.868 5.121 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000225266792 568626790 /nfs/dbraw/zinc/62/67/90/568626790.db2.gz KTMIPBDXCJAYCO-UHFFFAOYSA-N 0 0 416.695 6.442 40 0 HKABRN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000225266838 568626739 /nfs/dbraw/zinc/62/67/39/568626739.db2.gz RSLWUGXHTQLJOL-UHFFFAOYSA-N 0 0 416.695 6.442 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000225266889 568626821 /nfs/dbraw/zinc/62/68/21/568626821.db2.gz HHGXYYHBOIJDBL-UHFFFAOYSA-N 0 0 416.695 6.442 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000225266942 568626847 /nfs/dbraw/zinc/62/68/47/568626847.db2.gz LNFNYPZUQSQEPQ-UHFFFAOYSA-N 0 0 416.695 6.442 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C ZINC000225266987 568626852 /nfs/dbraw/zinc/62/68/52/568626852.db2.gz XMJITNDTCNNXDI-UHFFFAOYSA-N 0 0 401.506 5.784 40 0 HKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000225266990 568626757 /nfs/dbraw/zinc/62/67/57/568626757.db2.gz YKJHVKVHKGXKLH-UHFFFAOYSA-N 0 0 415.802 6.154 40 0 HKABRN COc1ccc(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)c(OC)c1 ZINC000225267322 568626784 /nfs/dbraw/zinc/62/67/84/568626784.db2.gz OJILTHLYFJDERW-UHFFFAOYSA-N 0 0 407.857 5.153 40 0 HKABRN COc1ccc(OC)c(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)c1 ZINC000225267376 568626737 /nfs/dbraw/zinc/62/67/37/568626737.db2.gz FSTNVHISRYLMQK-UHFFFAOYSA-N 0 0 407.857 5.153 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000225267475 568626775 /nfs/dbraw/zinc/62/67/75/568626775.db2.gz MZMIHRBWLRVTFF-UHFFFAOYSA-N 0 0 412.276 5.798 40 0 HKABRN COc1ccc(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)cc1Cl ZINC000225267519 568626839 /nfs/dbraw/zinc/62/68/39/568626839.db2.gz FDRCJDIUMQRJPV-UHFFFAOYSA-N 0 0 412.276 5.798 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000225267621 568626735 /nfs/dbraw/zinc/62/67/35/568626735.db2.gz GLTQERPUHSEUJS-UHFFFAOYSA-N 0 0 419.868 5.312 40 0 HKABRN CC(=O)Nc1ccc(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000225267756 568626864 /nfs/dbraw/zinc/62/68/64/568626864.db2.gz OAZGIBSZDKPZNZ-UHFFFAOYSA-N 0 0 404.857 5.094 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000225268730 568627007 /nfs/dbraw/zinc/62/70/07/568627007.db2.gz HSCCKUWBEWOMLO-UHFFFAOYSA-N 0 0 403.913 6.478 40 0 HKABRN CC(=O)Nc1cccc(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)c1 ZINC000225269007 568626964 /nfs/dbraw/zinc/62/69/64/568626964.db2.gz UPMAJFRWWQMDJC-UHFFFAOYSA-N 0 0 404.857 5.094 40 0 HKABRN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000225269153 568626971 /nfs/dbraw/zinc/62/69/71/568626971.db2.gz ZFVFOYGEJAMQSK-INIZCTEOSA-N 0 0 403.913 5.634 40 0 HKABRN C[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000225269183 568627140 /nfs/dbraw/zinc/62/71/40/568627140.db2.gz ZFVFOYGEJAMQSK-MRXNPFEDSA-N 0 0 403.913 5.634 40 0 HKABRN CCCC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225269208 568626959 /nfs/dbraw/zinc/62/69/59/568626959.db2.gz MKDQEFKKWINCDK-VWLOTQADSA-N 0 0 420.597 5.184 40 0 HKABRN CCCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225269247 568627053 /nfs/dbraw/zinc/62/70/53/568627053.db2.gz MKDQEFKKWINCDK-RUZDIDTESA-N 0 0 420.597 5.184 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)cc1Cl ZINC000225274667 568627328 /nfs/dbraw/zinc/62/73/28/568627328.db2.gz KHJPJUGOCHWSSG-OAQYLSRUSA-N 0 0 415.917 5.192 40 0 HKABRN CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](CC)C(=O)NC1CCCCC1 ZINC000225274697 568627264 /nfs/dbraw/zinc/62/72/64/568627264.db2.gz HLSWAVYDMCROQG-IBGZPJMESA-N 0 0 413.389 5.350 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)cc1Cl ZINC000225274699 568627219 /nfs/dbraw/zinc/62/72/19/568627219.db2.gz KHJPJUGOCHWSSG-NRFANRHFSA-N 0 0 415.917 5.192 40 0 HKABRN CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](CC)C(=O)NC1CCCCC1 ZINC000225274731 568627366 /nfs/dbraw/zinc/62/73/66/568627366.db2.gz HLSWAVYDMCROQG-LJQANCHMSA-N 0 0 413.389 5.350 40 0 HKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000225276197 568627318 /nfs/dbraw/zinc/62/73/18/568627318.db2.gz BUVSLTPCAUQLQQ-MRXNPFEDSA-N 0 0 401.919 5.271 40 0 HKABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000225276231 568627292 /nfs/dbraw/zinc/62/72/92/568627292.db2.gz BUVSLTPCAUQLQQ-INIZCTEOSA-N 0 0 401.919 5.271 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccccc2)s1 ZINC000225277881 568627482 /nfs/dbraw/zinc/62/74/82/568627482.db2.gz RDIOVHCGTPTZGW-UHFFFAOYSA-N 0 0 410.351 5.384 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)NCC1(c2ccccc2)CCOCC1 ZINC000225278721 568627530 /nfs/dbraw/zinc/62/75/30/568627530.db2.gz WZDALXIFAMDLKW-UHFFFAOYSA-N 0 0 424.393 5.091 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1C ZINC000225279740 568627462 /nfs/dbraw/zinc/62/74/62/568627462.db2.gz OQNREBSQHCCKEB-OSVNEOKWSA-N 0 0 404.535 5.013 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1C ZINC000225279771 568627450 /nfs/dbraw/zinc/62/74/50/568627450.db2.gz OQNREBSQHCCKEB-CEZZIEKDSA-N 0 0 404.535 5.013 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCc3ccccc3)c2)cc1 ZINC000225279873 568627479 /nfs/dbraw/zinc/62/74/79/568627479.db2.gz MJWVAWSKVQKJND-UHFFFAOYSA-N 0 0 402.563 5.702 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CCc3ccccc3F)c2)cc1 ZINC000225280903 568627445 /nfs/dbraw/zinc/62/74/45/568627445.db2.gz UTFNWZZSJVYDDH-UHFFFAOYSA-N 0 0 418.512 5.947 40 0 HKABRN C[C@@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1 ZINC000225281116 568627701 /nfs/dbraw/zinc/62/77/01/568627701.db2.gz JJAGHDISWTWVQC-GOSISDBHSA-N 0 0 416.590 6.263 40 0 HKABRN C[C@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1 ZINC000225281148 568627719 /nfs/dbraw/zinc/62/77/19/568627719.db2.gz JJAGHDISWTWVQC-SFHVURJKSA-N 0 0 416.590 6.263 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)C1(c2ccccc2)CCOCC1 ZINC000225281261 568627758 /nfs/dbraw/zinc/62/77/58/568627758.db2.gz NZUBGGGICLRJPK-UHFFFAOYSA-N 0 0 419.908 5.258 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCCc3ccccc3)c2)cc1 ZINC000225282353 568627751 /nfs/dbraw/zinc/62/77/51/568627751.db2.gz QWJUCECFUSDONJ-UHFFFAOYSA-N 0 0 416.590 5.744 40 0 HKABRN S=C(NCCSc1ccccc1)Nc1ccc(CSc2ccccc2)cc1 ZINC000225284576 568627683 /nfs/dbraw/zinc/62/76/83/568627683.db2.gz WGPXRHSFHILMBS-UHFFFAOYSA-N 0 0 410.633 6.058 40 0 HKABRN S=C(NCCSc1ccccc1)Nc1ccc(Br)c(Cl)c1 ZINC000225284707 568627692 /nfs/dbraw/zinc/62/76/92/568627692.db2.gz MCCZLLACYJDXDA-UHFFFAOYSA-N 0 0 401.782 5.181 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c2ccccc2O1 ZINC000225285159 568627729 /nfs/dbraw/zinc/62/77/29/568627729.db2.gz DRYIEEZBHKBLOE-HSZRJFAPSA-N 0 0 417.553 5.361 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c2ccccc2O1 ZINC000225285191 568627685 /nfs/dbraw/zinc/62/76/85/568627685.db2.gz DRYIEEZBHKBLOE-QHCPKHFHSA-N 0 0 417.553 5.361 40 0 HKABRN Cc1cc(C)n(Cc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)n1 ZINC000225285366 568627769 /nfs/dbraw/zinc/62/77/69/568627769.db2.gz LWQJEKARIIOJBG-UHFFFAOYSA-N 0 0 409.533 5.391 40 0 HKABRN Cc1ccc(SCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000225286147 568627702 /nfs/dbraw/zinc/62/77/02/568627702.db2.gz AGQIOAFJXIPCDC-UHFFFAOYSA-N 0 0 404.910 5.746 40 0 HKABRN Cc1ccc(SCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000225286248 568627740 /nfs/dbraw/zinc/62/77/40/568627740.db2.gz CDISGRCKHYJYHQ-UHFFFAOYSA-N 0 0 424.660 6.366 40 0 HKABRN Cc1ccc(SCCNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000225286480 568627684 /nfs/dbraw/zinc/62/76/84/568627684.db2.gz PJGKXMSDQUERTR-UHFFFAOYSA-N 0 0 415.809 5.490 40 0 HKABRN Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1 ZINC000225286924 568627981 /nfs/dbraw/zinc/62/79/81/568627981.db2.gz FLABKOTVVSQBSI-UHFFFAOYSA-N 0 0 407.823 5.473 40 0 HKABRN Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)n1 ZINC000225286949 568627948 /nfs/dbraw/zinc/62/79/48/568627948.db2.gz PCYHWXMEEIMUEL-UHFFFAOYSA-N 0 0 411.505 5.380 40 0 HKABRN Cc1ccc(-c2nnc(NC(=O)CSCc3ccc(Cl)cc3F)s2)cc1 ZINC000225287146 568627979 /nfs/dbraw/zinc/62/79/79/568627979.db2.gz JLJAKXUKEOFZNY-UHFFFAOYSA-N 0 0 407.923 5.178 40 0 HKABRN CSc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1NC(=O)C(C)C ZINC000225287615 568627952 /nfs/dbraw/zinc/62/79/52/568627952.db2.gz BZHYKMJQNBWGDN-UHFFFAOYSA-N 0 0 420.600 5.236 40 0 HKABRN S=C(NCCSc1ccc(Cl)cc1)Nc1cccc(Br)c1 ZINC000225287634 568627936 /nfs/dbraw/zinc/62/79/36/568627936.db2.gz OPDFBISAZBTREA-UHFFFAOYSA-N 0 0 401.782 5.181 40 0 HKABRN S=C(NCCSc1ccc(Cl)cc1)Nc1ccc(Br)cc1 ZINC000225287678 568627971 /nfs/dbraw/zinc/62/79/71/568627971.db2.gz VMPMADSHVFCPOY-UHFFFAOYSA-N 0 0 401.782 5.181 40 0 HKABRN Cc1cc(NC(=S)NCCSc2ccc(Cl)cc2)ccc1Br ZINC000225287908 568627976 /nfs/dbraw/zinc/62/79/76/568627976.db2.gz AQGSLKLZIVFAFA-UHFFFAOYSA-N 0 0 415.809 5.490 40 0 HKABRN Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)cc2)n1 ZINC000225287923 568627943 /nfs/dbraw/zinc/62/79/43/568627943.db2.gz VPPSTPYQESJARI-UHFFFAOYSA-N 0 0 418.722 5.216 40 0 HKABRN Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)cc2)n1 ZINC000225288076 568627942 /nfs/dbraw/zinc/62/79/42/568627942.db2.gz HPNVDVSSLZPJJU-UHFFFAOYSA-N 0 0 413.546 5.952 40 0 HKABRN Fc1cc(Br)ccc1NC(=S)NCCSc1ccc(Cl)cc1 ZINC000225288276 568627992 /nfs/dbraw/zinc/62/79/92/568627992.db2.gz XHGJEEKNTRDZDX-UHFFFAOYSA-N 0 0 419.772 5.320 40 0 HKABRN S=C(NCCSc1ccc(Cl)cc1)Nc1ccc(OC2CCCC2)cc1 ZINC000225288927 568628003 /nfs/dbraw/zinc/62/80/03/568628003.db2.gz SBOJWMKGZZGXCV-UHFFFAOYSA-N 0 0 407.004 5.740 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 ZINC000225289399 568627957 /nfs/dbraw/zinc/62/79/57/568627957.db2.gz OSIVDWHSRBPDQQ-XMMPIXPASA-N 0 0 405.542 5.074 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 ZINC000225289434 568627977 /nfs/dbraw/zinc/62/79/77/568627977.db2.gz OSIVDWHSRBPDQQ-DEOSSOPVSA-N 0 0 405.542 5.074 40 0 HKABRN Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)cc2)n1 ZINC000225289478 568627962 /nfs/dbraw/zinc/62/79/62/568627962.db2.gz NOXHFHHBMWOUOP-SANMLTNESA-N 0 0 409.533 5.376 40 0 HKABRN Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](c3ccccc3)c3ccccc3C)cc2)n1 ZINC000225289513 568627995 /nfs/dbraw/zinc/62/79/95/568627995.db2.gz NOXHFHHBMWOUOP-AREMUKBSSA-N 0 0 409.533 5.376 40 0 HKABRN Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](c3ccccc3)c3ccc(C)cc3)cc2)n1 ZINC000225289567 568627964 /nfs/dbraw/zinc/62/79/64/568627964.db2.gz NBCFVSDACOEUPQ-SANMLTNESA-N 0 0 409.533 5.376 40 0 HKABRN Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](c3ccccc3)c3ccc(C)cc3)cc2)n1 ZINC000225289601 568627985 /nfs/dbraw/zinc/62/79/85/568627985.db2.gz NBCFVSDACOEUPQ-AREMUKBSSA-N 0 0 409.533 5.376 40 0 HKABRN S=C(NCCSCc1ccccc1)Nc1ccc(CSc2ccccc2)cc1 ZINC000225289671 568627983 /nfs/dbraw/zinc/62/79/83/568627983.db2.gz IWTIIYQGASMAAB-UHFFFAOYSA-N 0 0 424.660 6.199 40 0 HKABRN C[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000225290587 568628202 /nfs/dbraw/zinc/62/82/02/568628202.db2.gz IMKRZASFVKWRDV-CNGOPUHISA-N 0 0 416.521 5.225 40 0 HKABRN CCCC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225290610 568628181 /nfs/dbraw/zinc/62/81/81/568628181.db2.gz LFCHLDWJZKMKNM-VWLOTQADSA-N 0 0 420.597 5.184 40 0 HKABRN C[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000225290624 568628212 /nfs/dbraw/zinc/62/82/12/568628212.db2.gz IMKRZASFVKWRDV-ZVTCDHROSA-N 0 0 416.521 5.225 40 0 HKABRN CCCC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225290643 568628205 /nfs/dbraw/zinc/62/82/05/568628205.db2.gz LFCHLDWJZKMKNM-RUZDIDTESA-N 0 0 420.597 5.184 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)c3ccc(Cn4nc(C)cc4C)cc3)ccc21 ZINC000225290645 568628177 /nfs/dbraw/zinc/62/81/77/568628177.db2.gz KRGQRANOLRKLHW-UHFFFAOYSA-N 0 0 422.532 5.928 40 0 HKABRN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)/C(=C/c1ccco1)c1ccccc1 ZINC000225290985 568628155 /nfs/dbraw/zinc/62/81/55/568628155.db2.gz FVRTWEUKOOINBW-QGOAFFKASA-N 0 0 407.882 5.631 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(Oc2ccccc2)cc1 ZINC000225292675 568628204 /nfs/dbraw/zinc/62/82/04/568628204.db2.gz QWWSWYFTPUIVHY-UHFFFAOYSA-N 0 0 401.890 6.143 40 0 HKABRN Cc1ccc(CSCCNC(=S)Nc2ccc(Br)c(C)c2)cc1 ZINC000225292840 568628200 /nfs/dbraw/zinc/62/82/00/568628200.db2.gz OGWPVQLRRVFFQD-UHFFFAOYSA-N 0 0 409.418 5.286 40 0 HKABRN Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](c3ccccc3)c3cccc(C)c3)cc2)n1 ZINC000225292871 568628220 /nfs/dbraw/zinc/62/82/20/568628220.db2.gz LFCJOALUQSXOJA-SANMLTNESA-N 0 0 409.533 5.376 40 0 HKABRN Cc1ccc(CSCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000225292896 568628173 /nfs/dbraw/zinc/62/81/73/568628173.db2.gz PDVBTNLQGGXJAS-UHFFFAOYSA-N 0 0 418.937 5.887 40 0 HKABRN Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](c3ccccc3)c3cccc(C)c3)cc2)n1 ZINC000225292911 568628191 /nfs/dbraw/zinc/62/81/91/568628191.db2.gz LFCJOALUQSXOJA-AREMUKBSSA-N 0 0 409.533 5.376 40 0 HKABRN Cc1ccc(CSCCNC(=S)Nc2ccc(Br)cc2F)cc1 ZINC000225293433 568628198 /nfs/dbraw/zinc/62/81/98/568628198.db2.gz YOKYDLRYTHWKMV-UHFFFAOYSA-N 0 0 413.381 5.116 40 0 HKABRN Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3C(=O)c3ccccc3)cc2)n1 ZINC000225293538 568628438 /nfs/dbraw/zinc/62/84/38/568628438.db2.gz WNYGTFKWNDJEHH-UHFFFAOYSA-N 0 0 409.489 5.032 40 0 HKABRN CCOC(=O)c1cc(NC(=S)NCCSCc2ccc(C)cc2)ccc1Cl ZINC000225293985 568628451 /nfs/dbraw/zinc/62/84/51/568628451.db2.gz JMNYZOUETNXKAY-UHFFFAOYSA-N 0 0 423.003 5.045 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)NCCSCc2ccc(C)cc2)cc1Cl ZINC000225294034 568628417 /nfs/dbraw/zinc/62/84/17/568628417.db2.gz SKCVCQGLTQEUSN-UHFFFAOYSA-N 0 0 423.003 5.045 40 0 HKABRN Cc1ccc(CSCCNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 ZINC000225294276 568628324 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ZINC000225296210 568628455 /nfs/dbraw/zinc/62/84/55/568628455.db2.gz ZZIVURNNPYWGHU-QHCPKHFHSA-N 0 0 415.537 5.196 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)c2ccc(Cn3ccnc3C)cc2)c2ccccc2O1 ZINC000225296246 568628376 /nfs/dbraw/zinc/62/83/76/568628376.db2.gz UZSQVQMRXKCNGC-JOCHJYFZSA-N 0 0 403.526 5.052 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)c2ccc(Cn3ccnc3C)cc2)c2ccccc2O1 ZINC000225296267 521691606 /nfs/dbraw/zinc/69/16/06/521691606.db2.gz UZSQVQMRXKCNGC-QFIPXVFZSA-N 0 0 403.526 5.052 40 0 HKABRN FC(F)(F)c1ccc(NC(=S)NCCSCc2ccccc2Cl)cc1 ZINC000225296491 527683928 /nfs/dbraw/zinc/68/39/28/527683928.db2.gz PFUYDGUZPZZFES-UHFFFAOYSA-N 0 0 404.910 5.579 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)NCCSCc2ccccc2Cl)c1C ZINC000225296882 521545814 /nfs/dbraw/zinc/54/58/14/521545814.db2.gz VQCHEYSDEWOYOU-UHFFFAOYSA-N 0 0 423.003 5.045 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=S)NCCSCc2ccccc2Cl)c1 ZINC000225296921 568628433 /nfs/dbraw/zinc/62/84/33/568628433.db2.gz NOIXSKNQAGFUAJ-UHFFFAOYSA-N 0 0 423.003 5.045 40 0 HKABRN 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410.876 5.151 40 0 HKABRN Fc1cc(Br)ccc1NC(=S)NCc1ccc(Cl)cc1Cl ZINC000225306687 568629169 /nfs/dbraw/zinc/62/91/69/568629169.db2.gz FQWKVMXFHRJWME-UHFFFAOYSA-N 0 0 408.123 5.382 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CCc3ccc(Cl)cc3)c2)cc1 ZINC000225306791 568629171 /nfs/dbraw/zinc/62/91/71/568629171.db2.gz OIHNIHDCJGQOBN-UHFFFAOYSA-N 0 0 419.952 6.440 40 0 HKABRN CCOC(=O)c1cc(NC(=S)NCc2ccc(Cl)cc2Cl)ccc1Cl ZINC000225307100 568629165 /nfs/dbraw/zinc/62/91/65/568629165.db2.gz CFFOVJYYGKIHRT-UHFFFAOYSA-N 0 0 417.745 5.310 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1Cl ZINC000225307401 568629111 /nfs/dbraw/zinc/62/91/11/568629111.db2.gz LVSUAVPBHWFHFX-UHFFFAOYSA-N 0 0 417.745 5.310 40 0 HKABRN O=C(c1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1)N1CCCCC1 ZINC000225308161 568629108 /nfs/dbraw/zinc/62/91/08/568629108.db2.gz ZYVUKFYEFJUPEU-UHFFFAOYSA-N 0 0 422.381 5.106 40 0 HKABRN CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225308331 568629151 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CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 ZINC000225336787 568630228 /nfs/dbraw/zinc/63/02/28/568630228.db2.gz PZQZROOHSWBEAG-PKTZIBPZSA-N 0 0 420.582 5.428 40 0 HKABRN CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 ZINC000225336820 568630197 /nfs/dbraw/zinc/63/01/97/568630197.db2.gz PZQZROOHSWBEAG-XZOQPEGZSA-N 0 0 420.582 5.428 40 0 HKABRN CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 ZINC000225336855 519780416 /nfs/dbraw/zinc/78/04/16/519780416.db2.gz PZQZROOHSWBEAG-DHIUTWEWSA-N 0 0 420.582 5.428 40 0 HKABRN O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)NCCC1=CCCCC1 ZINC000225336992 568630280 /nfs/dbraw/zinc/63/02/80/568630280.db2.gz RTXLJNFRGLOAFG-UHFFFAOYSA-N 0 0 403.551 5.421 40 0 HKABRN COc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)CC(C)(C)O2 ZINC000225337243 525574177 /nfs/dbraw/zinc/57/41/77/525574177.db2.gz DANBRGIGTCGBTO-SFHVURJKSA-N 0 0 408.325 5.353 40 0 HKABRN COc1ccc2c(c1)[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)CC(C)(C)O2 ZINC000225337281 568630312 /nfs/dbraw/zinc/63/03/12/568630312.db2.gz DANBRGIGTCGBTO-GOSISDBHSA-N 0 0 408.325 5.353 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000225337336 568630290 /nfs/dbraw/zinc/63/02/90/568630290.db2.gz ZYMOXSRPMMZJHD-SFHVURJKSA-N 0 0 408.325 5.353 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000225337371 568630275 /nfs/dbraw/zinc/63/02/75/568630275.db2.gz ZYMOXSRPMMZJHD-GOSISDBHSA-N 0 0 408.325 5.353 40 0 HKABRN Cc1cccc(CSCCNC(=S)Nc2ccc(Br)c(C)c2)c1 ZINC000225337407 568630253 /nfs/dbraw/zinc/63/02/53/568630253.db2.gz RJYQMCAXHHOVTE-UHFFFAOYSA-N 0 0 409.418 5.286 40 0 HKABRN Cc1cccc(CSCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000225337457 568630158 /nfs/dbraw/zinc/63/01/58/568630158.db2.gz ZGDMIRZISODGSP-UHFFFAOYSA-N 0 0 418.937 5.887 40 0 HKABRN CC(C)c1ccc(NC(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)cc1 ZINC000225337825 568630186 /nfs/dbraw/zinc/63/01/86/568630186.db2.gz GDZVLRBDTKHEOU-UHFFFAOYSA-N 0 0 413.546 6.177 40 0 HKABRN O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)Nc1cccc2ccccc21 ZINC000225337877 568630231 /nfs/dbraw/zinc/63/02/31/568630231.db2.gz DTRDAPFNBBDRQR-UHFFFAOYSA-N 0 0 421.525 6.207 40 0 HKABRN O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)Nc1ccccc1Cl ZINC000225337979 527214297 /nfs/dbraw/zinc/21/42/97/527214297.db2.gz OHNKNJFPCFZLCN-UHFFFAOYSA-N 0 0 405.910 5.707 40 0 HKABRN O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)Nc1cccc(Cl)c1 ZINC000225338035 568630286 /nfs/dbraw/zinc/63/02/86/568630286.db2.gz WJTSTMWGDZYPEC-UHFFFAOYSA-N 0 0 405.910 5.707 40 0 HKABRN O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)Nc1ccc(Cl)cc1 ZINC000225338084 568630248 /nfs/dbraw/zinc/63/02/48/568630248.db2.gz OXPZDLAPSUAXHC-UHFFFAOYSA-N 0 0 405.910 5.707 40 0 HKABRN Cc1cccc(CSCCNC(=S)Nc2ccc(Br)cc2F)c1 ZINC000225338112 568630315 /nfs/dbraw/zinc/63/03/15/568630315.db2.gz GMFXLXDXQCESTH-UHFFFAOYSA-N 0 0 413.381 5.116 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 ZINC000225338299 568630180 /nfs/dbraw/zinc/63/01/80/568630180.db2.gz 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568630467 /nfs/dbraw/zinc/63/04/67/568630467.db2.gz WFQUTHILNZMTJQ-UHFFFAOYSA-N 0 0 401.491 5.062 40 0 HKABRN COc1cccc(NC(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)c1 ZINC000225338823 568630415 /nfs/dbraw/zinc/63/04/15/568630415.db2.gz WGKTVIYCNRQMCM-UHFFFAOYSA-N 0 0 401.491 5.062 40 0 HKABRN O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000225338865 568630478 /nfs/dbraw/zinc/63/04/78/568630478.db2.gz UGJAOPFAPINXFM-UHFFFAOYSA-N 0 0 405.325 5.191 40 0 HKABRN COc1ccc(NC(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)cc1 ZINC000225338874 568630523 /nfs/dbraw/zinc/63/05/23/568630523.db2.gz ZPRZBERHBNQNQK-UHFFFAOYSA-N 0 0 401.491 5.062 40 0 HKABRN CCOc1ccccc1NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 ZINC000225338931 568630427 /nfs/dbraw/zinc/63/04/27/568630427.db2.gz AXPKBQSODHIMMF-UHFFFAOYSA-N 0 0 415.518 5.452 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1OCC ZINC000225338967 568630518 /nfs/dbraw/zinc/63/05/18/568630518.db2.gz LUWZSNIUQIJZOD-CQSZACIVSA-N 0 0 410.341 5.601 40 0 HKABRN CCOc1ccc(NC(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)cc1 ZINC000225338989 568630369 /nfs/dbraw/zinc/63/03/69/568630369.db2.gz HBZCGXWYJFESBX-UHFFFAOYSA-N 0 0 415.518 5.452 40 0 HKABRN Cc1cccc(CSCCNC(=S)Nc2ccc(OC3CCCC3)cc2)c1 ZINC000225339001 568630473 /nfs/dbraw/zinc/63/04/73/568630473.db2.gz SKNKOCZDCYZWRP-UHFFFAOYSA-N 0 0 400.613 5.536 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1OCC ZINC000225339003 568630412 /nfs/dbraw/zinc/63/04/12/568630412.db2.gz LUWZSNIUQIJZOD-AWEZNQCLSA-N 0 0 410.341 5.601 40 0 HKABRN COc1ccc(C)cc1NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 ZINC000225339207 568630360 /nfs/dbraw/zinc/63/03/60/568630360.db2.gz YAWCQNYTLFPBDE-UHFFFAOYSA-N 0 0 415.518 5.370 40 0 HKABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000225339357 525947468 /nfs/dbraw/zinc/94/74/68/525947468.db2.gz SYTAAFXXBDTZDY-MRXNPFEDSA-N 0 0 403.975 5.036 40 0 HKABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000225339396 568630359 /nfs/dbraw/zinc/63/03/59/568630359.db2.gz 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/nfs/dbraw/zinc/63/05/26/568630526.db2.gz OSVJVLICZZDWKZ-UHFFFAOYSA-N 0 0 401.384 5.222 40 0 HKABRN COc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000225340454 568630399 /nfs/dbraw/zinc/63/03/99/568630399.db2.gz SBMRWFKMPBWQRM-UHFFFAOYSA-N 0 0 401.384 5.222 40 0 HKABRN CCOc1ccccc1NC(=S)NCCSCc1ccc(Cl)cc1Cl ZINC000225340497 568630396 /nfs/dbraw/zinc/63/03/96/568630396.db2.gz WSZWLGIJVQJOKH-UHFFFAOYSA-N 0 0 415.411 5.612 40 0 HKABRN Cc1cc(C)c(NC(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)c(C)c1 ZINC000225340513 568630373 /nfs/dbraw/zinc/63/03/73/568630373.db2.gz BOYCZOAKLYIMSU-UHFFFAOYSA-N 0 0 413.546 5.979 40 0 HKABRN CCOc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000225340545 568630446 /nfs/dbraw/zinc/63/04/46/568630446.db2.gz QTHYBIZSGQKPFM-UHFFFAOYSA-N 0 0 415.411 5.612 40 0 HKABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000225340622 568630444 /nfs/dbraw/zinc/63/04/44/568630444.db2.gz JWAIAIMYVNVDBS-UHFFFAOYSA-N 0 0 424.715 5.288 40 0 HKABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000225340676 568630736 /nfs/dbraw/zinc/63/07/36/568630736.db2.gz OZHNCQOPFYJSRG-UHFFFAOYSA-N 0 0 424.715 5.288 40 0 HKABRN O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)NC1CCCCCCC1 ZINC000225340834 568630693 /nfs/dbraw/zinc/63/06/93/568630693.db2.gz AUZURCRCHSFSQP-UHFFFAOYSA-N 0 0 405.567 5.644 40 0 HKABRN Cc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)cc1Cl ZINC000225340974 568630686 /nfs/dbraw/zinc/63/06/86/568630686.db2.gz HYAZGOLACNFXLQ-UHFFFAOYSA-N 0 0 419.830 6.175 40 0 HKABRN CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000225341195 568630597 /nfs/dbraw/zinc/63/05/97/568630597.db2.gz KXMUROKVZSEBGM-UHFFFAOYSA-N 0 0 424.715 5.288 40 0 HKABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1C ZINC000225341299 568630679 /nfs/dbraw/zinc/63/06/79/568630679.db2.gz ALOJNMWRHKNBCA-DHIUTWEWSA-N 0 0 420.582 5.001 40 0 HKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1C ZINC000225341336 568630647 /nfs/dbraw/zinc/63/06/47/568630647.db2.gz ALOJNMWRHKNBCA-PKTZIBPZSA-N 0 0 420.582 5.001 40 0 HKABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1C ZINC000225341372 568630668 /nfs/dbraw/zinc/63/06/68/568630668.db2.gz ALOJNMWRHKNBCA-XZOQPEGZSA-N 0 0 420.582 5.001 40 0 HKABRN Fc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)cc1Cl ZINC000225341385 568630674 /nfs/dbraw/zinc/63/06/74/568630674.db2.gz GAEBLOBTBDYHKC-UHFFFAOYSA-N 0 0 423.793 6.006 40 0 HKABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1C ZINC000225341407 568630626 /nfs/dbraw/zinc/63/06/26/568630626.db2.gz ALOJNMWRHKNBCA-GOTSBHOMSA-N 0 0 420.582 5.001 40 0 HKABRN Fc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)c(F)c1 ZINC000225341436 568630689 /nfs/dbraw/zinc/63/06/89/568630689.db2.gz OBXFFHBVHABESN-UHFFFAOYSA-N 0 0 407.338 5.491 40 0 HKABRN O=C(CCc1ccc(Cl)c(Cl)c1)Nc1nnc(SCc2ccccc2)s1 ZINC000225341623 568630718 /nfs/dbraw/zinc/63/07/18/568630718.db2.gz ZJLWGBLTWZKAGA-UHFFFAOYSA-N 0 0 424.378 5.709 40 0 HKABRN Fc1cccc(F)c1NC(=S)NCCSCc1ccc(Cl)cc1Cl ZINC000225341767 568630622 /nfs/dbraw/zinc/63/06/22/568630622.db2.gz APMHIQSJFLOIIX-UHFFFAOYSA-N 0 0 407.338 5.491 40 0 HKABRN Fc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)cc1F ZINC000225341817 568630654 /nfs/dbraw/zinc/63/06/54/568630654.db2.gz CCYQABCQRNHBJR-UHFFFAOYSA-N 0 0 407.338 5.491 40 0 HKABRN CCOc1cccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)c1 ZINC000225342029 568630609 /nfs/dbraw/zinc/63/06/09/568630609.db2.gz RLGDCXMTLGTGER-UHFFFAOYSA-N 0 0 415.411 5.612 40 0 HKABRN O=C(CCc1c(Cl)cccc1Cl)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000225342310 568630702 /nfs/dbraw/zinc/63/07/02/568630702.db2.gz PWINENGFBJQKKX-HXUWFJFHSA-N 0 0 418.364 6.269 40 0 HKABRN O=C(CCc1c(Cl)cccc1Cl)N[C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000225342344 568630606 /nfs/dbraw/zinc/63/06/06/568630606.db2.gz PWINENGFBJQKKX-FQEVSTJZSA-N 0 0 418.364 6.269 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)CCc2c(Cl)cccc2Cl)c2ccccc2O1 ZINC000225342398 568630611 /nfs/dbraw/zinc/63/06/11/568630611.db2.gz HIVQWHFITRFOCC-LJQANCHMSA-N 0 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OZRPVQDPMLLYKS-UHFFFAOYSA-N 0 0 423.793 6.006 40 0 HKABRN Fc1ccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000225345317 568631000 /nfs/dbraw/zinc/63/10/00/568631000.db2.gz URUNJJNEWMNKPX-UHFFFAOYSA-N 0 0 407.338 5.491 40 0 HKABRN Fc1cccc(F)c1NC(=S)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000225345636 568630878 /nfs/dbraw/zinc/63/08/78/568630878.db2.gz YFODFLSKVOXCDW-UHFFFAOYSA-N 0 0 407.338 5.491 40 0 HKABRN Fc1ccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)cc1F ZINC000225345684 568630917 /nfs/dbraw/zinc/63/09/17/568630917.db2.gz FPEAMGOTIQQSCS-UHFFFAOYSA-N 0 0 407.338 5.491 40 0 HKABRN CCOc1cccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)c1 ZINC000225345898 568630951 /nfs/dbraw/zinc/63/09/51/568630951.db2.gz MCTSJKDELOCBGW-UHFFFAOYSA-N 0 0 415.411 5.612 40 0 HKABRN O=C(CCc1c(Cl)cccc1Cl)NCCSCc1ccccc1Cl ZINC000225346182 568630871 /nfs/dbraw/zinc/63/08/71/568630871.db2.gz PDHLPMNYWCZKCN-UHFFFAOYSA-N 0 0 402.774 5.629 40 0 HKABRN O=C(CCc1c(Cl)cccc1Cl)NCCSCc1cccc(Cl)c1 ZINC000225346232 568630855 /nfs/dbraw/zinc/63/08/55/568630855.db2.gz PWYBQEUZSIYGHI-UHFFFAOYSA-N 0 0 402.774 5.629 40 0 HKABRN O=C(CCc1c(Cl)cccc1Cl)NCCSCc1ccc(Cl)cc1 ZINC000225346282 568630893 /nfs/dbraw/zinc/63/08/93/568630893.db2.gz WQVCAVGZLQCPCZ-UHFFFAOYSA-N 0 0 402.774 5.629 40 0 HKABRN S=C(NCCSCc1ccco1)Nc1ccc(CSc2ccccc2)cc1 ZINC000225347738 568630883 /nfs/dbraw/zinc/63/08/83/568630883.db2.gz VKKXRRRSYFKNPO-UHFFFAOYSA-N 0 0 414.621 5.792 40 0 HKABRN O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(OCc2ccccc2)cc1 ZINC000225348281 568631023 /nfs/dbraw/zinc/63/10/23/568631023.db2.gz XTGUBDWEYYQPMV-UHFFFAOYSA-N 0 0 400.305 6.144 40 0 HKABRN O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(CSc2ccccc2)cc1 ZINC000225348659 568630914 /nfs/dbraw/zinc/63/09/14/568630914.db2.gz KSFXCPYLCHEAPP-UHFFFAOYSA-N 0 0 416.373 6.857 40 0 HKABRN O=C(CCc1c(Cl)cccc1Cl)NCCSCc1c(F)cccc1Cl ZINC000225349384 568630906 /nfs/dbraw/zinc/63/09/06/568630906.db2.gz MWRNBTWWBWEOSV-UHFFFAOYSA-N 0 0 420.764 5.768 40 0 HKABRN CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 ZINC000225349729 568630920 /nfs/dbraw/zinc/63/09/20/568630920.db2.gz VSQLWFGURLXKFR-GOTSBHOMSA-N 0 0 420.582 5.428 40 0 HKABRN CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 ZINC000225349768 568630985 /nfs/dbraw/zinc/63/09/85/568630985.db2.gz VSQLWFGURLXKFR-PKTZIBPZSA-N 0 0 420.582 5.428 40 0 HKABRN CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1 ZINC000225349802 568630910 /nfs/dbraw/zinc/63/09/10/568630910.db2.gz VSQLWFGURLXKFR-XZOQPEGZSA-N 0 0 420.582 5.428 40 0 HKABRN CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1 ZINC000225349842 568631003 /nfs/dbraw/zinc/63/10/03/568631003.db2.gz VSQLWFGURLXKFR-DHIUTWEWSA-N 0 0 420.582 5.428 40 0 HKABRN O=C(CCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000225349857 568630833 /nfs/dbraw/zinc/63/08/33/568630833.db2.gz NZFMRPYOZHOXBG-UHFFFAOYSA-N 0 0 419.352 5.627 40 0 HKABRN O=C(CCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)NCc1ccco1 ZINC000225350247 568631020 /nfs/dbraw/zinc/63/10/20/568631020.db2.gz UCQAMEOPUBTPFL-UHFFFAOYSA-N 0 0 417.292 5.088 40 0 HKABRN S=C1N[C@@](Cc2ccccc2)(c2ccc(-c3ccccc3)cc2)NN1c1ccccc1 ZINC000225350700 568631006 /nfs/dbraw/zinc/63/10/06/568631006.db2.gz KFYDEKUQGWFYEE-HHHXNRCGSA-N 0 0 421.569 5.648 40 0 HKABRN S=C1N[C@](Cc2ccccc2)(c2ccc(-c3ccccc3)cc2)NN1c1ccccc1 ZINC000225350740 568630902 /nfs/dbraw/zinc/63/09/02/568630902.db2.gz KFYDEKUQGWFYEE-MHZLTWQESA-N 0 0 421.569 5.648 40 0 HKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1 ZINC000225350864 568630988 /nfs/dbraw/zinc/63/09/88/568630988.db2.gz IZTLTFZFPSSEKR-UHFFFAOYSA-N 0 0 411.760 5.237 40 0 HKABRN COC(=O)c1c(NC(=O)CCc2c(Cl)cccc2Cl)sc2c1CCCC2 ZINC000225351242 568630966 /nfs/dbraw/zinc/63/09/66/568630966.db2.gz MIARVYKZRGPTQW-UHFFFAOYSA-N 0 0 412.338 5.292 40 0 HKABRN CCCCN1N[C@@](Cc2ccccc2)(c2ccc(-c3ccccc3)cc2)NC1=S ZINC000225351301 568631094 /nfs/dbraw/zinc/63/10/94/568631094.db2.gz ITOOUKKULSPYDK-VWLOTQADSA-N 0 0 401.579 5.244 40 0 HKABRN CCCCN1N[C@](Cc2ccccc2)(c2ccc(-c3ccccc3)cc2)NC1=S ZINC000225351340 568631084 /nfs/dbraw/zinc/63/10/84/568631084.db2.gz ITOOUKKULSPYDK-RUZDIDTESA-N 0 0 401.579 5.244 40 0 HKABRN S=C1NC2(CCCCCCCCCCC2)NN1c1ccc(Br)cc1 ZINC000225351780 568631165 /nfs/dbraw/zinc/63/11/65/568631165.db2.gz BADRBCFTGDBDMN-UHFFFAOYSA-N 0 0 410.425 5.649 40 0 HKABRN O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(Br)c(Cl)c1 ZINC000225352074 568631226 /nfs/dbraw/zinc/63/12/26/568631226.db2.gz VCWGNRNGUCCZOJ-UHFFFAOYSA-N 0 0 407.522 5.981 40 0 HKABRN O=C(CCc1c(Cl)cccc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000225352176 568631076 /nfs/dbraw/zinc/63/10/76/568631076.db2.gz UFBJACKANPCQJZ-UHFFFAOYSA-N 0 0 420.723 7.010 40 0 HKABRN O=C(CCc1c(Cl)cccc1Cl)Nc1ccccc1Sc1ccccc1 ZINC000225352229 568631138 /nfs/dbraw/zinc/63/11/38/568631138.db2.gz IVGCZLKXTBTACX-UHFFFAOYSA-N 0 0 402.346 6.716 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NC3CCCCCC3)c2)cc1 ZINC000225353862 568631148 /nfs/dbraw/zinc/63/11/48/568631148.db2.gz WOOYGHMCARWGEX-UHFFFAOYSA-N 0 0 408.611 6.224 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1Cl ZINC000225354149 568631086 /nfs/dbraw/zinc/63/10/86/568631086.db2.gz RUJMQKYYNGDJEV-HNNXBMFYSA-N 0 0 408.885 5.092 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1Cl ZINC000225354183 568631230 /nfs/dbraw/zinc/63/12/30/568631230.db2.gz RUJMQKYYNGDJEV-OAHLLOKOSA-N 0 0 408.885 5.092 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCCC3=CCCCC3)c2)cc1 ZINC000225355258 568631217 /nfs/dbraw/zinc/63/12/17/568631217.db2.gz HLWOFAFHFAHXFK-UHFFFAOYSA-N 0 0 420.622 6.392 40 0 HKABRN CCOC(=O)c1cc(NC(=O)CCc2c(Cl)cccc2Cl)ccc1Cl ZINC000225356490 568631096 /nfs/dbraw/zinc/63/10/96/568631096.db2.gz RWKCPRRBTMPZEB-UHFFFAOYSA-N 0 0 400.689 5.395 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)CCc2c(Cl)cccc2Cl)cc1Cl ZINC000225356540 568631209 /nfs/dbraw/zinc/63/12/09/568631209.db2.gz GJVFPYRMJMDQLD-UHFFFAOYSA-N 0 0 400.689 5.395 40 0 HKABRN O=C(CCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)N1CCCCC1 ZINC000225357065 568631213 /nfs/dbraw/zinc/63/12/13/568631213.db2.gz KUKBNVILFMIGTE-UHFFFAOYSA-N 0 0 405.325 5.191 40 0 HKABRN O=C(CCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000225357095 568631233 /nfs/dbraw/zinc/63/12/33/568631233.db2.gz GBGGBHYMOGIYAV-UHFFFAOYSA-N 0 0 419.352 5.581 40 0 HKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000225357131 568631099 /nfs/dbraw/zinc/63/10/99/568631099.db2.gz FGWUTMAVWRQKOS-CYBMUJFWSA-N 0 0 415.946 5.562 40 0 HKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000225357162 568631085 /nfs/dbraw/zinc/63/10/85/568631085.db2.gz FGWUTMAVWRQKOS-ZDUSSCGKSA-N 0 0 415.946 5.562 40 0 HKABRN S=C(NCCSC1CCCCC1)Nc1ccc(CSc2ccccc2)cc1 ZINC000225357559 568631183 /nfs/dbraw/zinc/63/11/83/568631183.db2.gz OCGZVMGBMLIXGV-UHFFFAOYSA-N 0 0 416.681 6.331 40 0 HKABRN S=C(NCCSC1CCCCC1)Nc1ccc(Br)c(Cl)c1 ZINC000225357962 568631383 /nfs/dbraw/zinc/63/13/83/568631383.db2.gz KBHIIKILYXBPGE-UHFFFAOYSA-N 0 0 407.830 5.455 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)CCc3c(Cl)cccc3Cl)ccc21 ZINC000225358089 568631352 /nfs/dbraw/zinc/63/13/52/568631352.db2.gz WMSFMGHSVVWQTP-UHFFFAOYSA-N 0 0 411.332 6.693 40 0 HKABRN CCSc1nnc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)s1 ZINC000225359960 568631347 /nfs/dbraw/zinc/63/13/47/568631347.db2.gz WTJPFFRRTTTYDI-UHFFFAOYSA-N 0 0 405.932 5.135 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccco2)N1c1ccc(OC2CCCC2)cc1 ZINC000225360557 568631387 /nfs/dbraw/zinc/63/13/87/568631387.db2.gz FSBJGYLBTCWQSP-FCHUYYIVSA-N 0 0 405.523 5.173 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccco2)N1c1ccc(OC2CCCC2)cc1 ZINC000225360595 568631365 /nfs/dbraw/zinc/63/13/65/568631365.db2.gz FSBJGYLBTCWQSP-FGZHOGPDSA-N 0 0 405.523 5.173 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccco2)N1c1ccc(OC2CCCC2)cc1 ZINC000225360627 568631344 /nfs/dbraw/zinc/63/13/44/568631344.db2.gz FSBJGYLBTCWQSP-VXKWHMMOSA-N 0 0 405.523 5.173 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccco2)N1c1ccc(OC2CCCC2)cc1 ZINC000225360666 568631368 /nfs/dbraw/zinc/63/13/68/568631368.db2.gz FSBJGYLBTCWQSP-YADHBBJMSA-N 0 0 405.523 5.173 40 0 HKABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 ZINC000225360711 568631348 /nfs/dbraw/zinc/63/13/48/568631348.db2.gz VLJJDEVKUAAGFO-DHIUTWEWSA-N 0 0 419.550 5.482 40 0 HKABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 ZINC000225360740 568631339 /nfs/dbraw/zinc/63/13/39/568631339.db2.gz VLJJDEVKUAAGFO-PKTZIBPZSA-N 0 0 419.550 5.482 40 0 HKABRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 ZINC000225360780 568631346 /nfs/dbraw/zinc/63/13/46/568631346.db2.gz VLJJDEVKUAAGFO-XZOQPEGZSA-N 0 0 419.550 5.482 40 0 HKABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 ZINC000225360813 568631404 /nfs/dbraw/zinc/63/14/04/568631404.db2.gz VLJJDEVKUAAGFO-GOTSBHOMSA-N 0 0 419.550 5.482 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccs2)N1c1ccc(OC2CCCC2)cc1 ZINC000225360872 568631366 /nfs/dbraw/zinc/63/13/66/568631366.db2.gz HECOVLDMSXXYOV-FCHUYYIVSA-N 0 0 421.591 5.642 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccs2)N1c1ccc(OC2CCCC2)cc1 ZINC000225360903 568631351 /nfs/dbraw/zinc/63/13/51/568631351.db2.gz HECOVLDMSXXYOV-FGZHOGPDSA-N 0 0 421.591 5.642 40 0 HKABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccs2)N1c1ccc(OC2CCCC2)cc1 ZINC000225360938 568631372 /nfs/dbraw/zinc/63/13/72/568631372.db2.gz HECOVLDMSXXYOV-VXKWHMMOSA-N 0 0 421.591 5.642 40 0 HKABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1c1ccc(OC2CCCC2)cc1 ZINC000225360974 568631340 /nfs/dbraw/zinc/63/13/40/568631340.db2.gz HECOVLDMSXXYOV-YADHBBJMSA-N 0 0 421.591 5.642 40 0 HKABRN Cc1ccccc1CSCCNC(=S)Nc1ccc(Br)c(C)c1 ZINC000225361010 568631401 /nfs/dbraw/zinc/63/14/01/568631401.db2.gz RMBLAFPYBJDIEG-UHFFFAOYSA-N 0 0 409.418 5.286 40 0 HKABRN Cc1ccccc1CSCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225361066 568631397 /nfs/dbraw/zinc/63/13/97/568631397.db2.gz NEXBCNQHLYNXAK-UHFFFAOYSA-N 0 0 418.937 5.887 40 0 HKABRN CC1(C)COc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2OC1 ZINC000225361112 568631337 /nfs/dbraw/zinc/63/13/37/568631337.db2.gz AQJITJZSIWBXPG-UHFFFAOYSA-N 0 0 401.506 5.327 40 0 HKABRN COc1ccc2c(c1)[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)CC(C)(C)O2 ZINC000225361202 568631386 /nfs/dbraw/zinc/63/13/86/568631386.db2.gz YDOGSMCUBNOMMJ-SFHVURJKSA-N 0 0 408.325 5.353 40 0 HKABRN COc1ccc2c(c1)[C@H](NC(=O)CCc1c(Cl)cccc1Cl)CC(C)(C)O2 ZINC000225361236 568631437 /nfs/dbraw/zinc/63/14/37/568631437.db2.gz YDOGSMCUBNOMMJ-GOSISDBHSA-N 0 0 408.325 5.353 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1c(Cl)cccc1Cl ZINC000225361285 568631596 /nfs/dbraw/zinc/63/15/96/568631596.db2.gz ZMJBQPZCFLZSGF-SFHVURJKSA-N 0 0 408.325 5.353 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1c(Cl)cccc1Cl ZINC000225361314 568631613 /nfs/dbraw/zinc/63/16/13/568631613.db2.gz ZMJBQPZCFLZSGF-GOSISDBHSA-N 0 0 408.325 5.353 40 0 HKABRN Cc1ccccc1CSCCNC(=S)Nc1ccc(Br)cc1F ZINC000225361722 568631618 /nfs/dbraw/zinc/63/16/18/568631618.db2.gz UWNGZMOTZVVIFF-UHFFFAOYSA-N 0 0 413.381 5.116 40 0 HKABRN CC1(C)COc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)cc2OC1 ZINC000225362122 568631615 /nfs/dbraw/zinc/63/16/15/568631615.db2.gz URIGWLBLULVPRQ-UHFFFAOYSA-N 0 0 405.519 5.888 40 0 HKABRN CC1(C)COc2ccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2OC1 ZINC000225362183 568631619 /nfs/dbraw/zinc/63/16/19/568631619.db2.gz KADYSLAGHDSDLD-UHFFFAOYSA-N 0 0 423.896 6.182 40 0 HKABRN CCOC(=O)c1cc(NC(=S)NCCSCc2ccccc2C)ccc1Cl ZINC000225362272 568631639 /nfs/dbraw/zinc/63/16/39/568631639.db2.gz MAIOQLXZTNFKOO-UHFFFAOYSA-N 0 0 423.003 5.045 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)NCCSCc2ccccc2C)cc1Cl ZINC000225362318 568631605 /nfs/dbraw/zinc/63/16/05/568631605.db2.gz IYYDSEXAHOCLHM-UHFFFAOYSA-N 0 0 423.003 5.045 40 0 HKABRN Cc1ccccc1CSCCNC(=S)Nc1ccc(OC2CCCC2)cc1 ZINC000225362557 568631612 /nfs/dbraw/zinc/63/16/12/568631612.db2.gz AYAGXIPKYTTZNZ-UHFFFAOYSA-N 0 0 400.613 5.536 40 0 HKABRN O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000225362744 568631611 /nfs/dbraw/zinc/63/16/11/568631611.db2.gz MLQHHUKVKHXYAU-UHFFFAOYSA-N 0 0 405.325 5.191 40 0 HKABRN COc1cccc(Oc2ccc(Cl)cc2NC(=O)C2(c3ccccc3)CCCC2)c1 ZINC000225362807 568631679 /nfs/dbraw/zinc/63/16/79/568631679.db2.gz UDGIEPWEUXBPPL-UHFFFAOYSA-N 0 0 421.924 6.591 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1OCC ZINC000225362840 568631668 /nfs/dbraw/zinc/63/16/68/568631668.db2.gz SPJQHINNYVLFTR-CQSZACIVSA-N 0 0 410.341 5.601 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1OCC ZINC000225362874 568631583 /nfs/dbraw/zinc/63/15/83/568631583.db2.gz SPJQHINNYVLFTR-AWEZNQCLSA-N 0 0 410.341 5.601 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)c1 ZINC000225363217 568631598 /nfs/dbraw/zinc/63/15/98/568631598.db2.gz JPSKNPRKGWOWEK-IBGZPJMESA-N 0 0 405.563 6.676 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)c1 ZINC000225363252 568631599 /nfs/dbraw/zinc/63/15/99/568631599.db2.gz JPSKNPRKGWOWEK-LJQANCHMSA-N 0 0 405.563 6.676 40 0 HKABRN CC(C)c1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000225363534 568631602 /nfs/dbraw/zinc/63/16/02/568631602.db2.gz QQAJGCOFZCATQH-UHFFFAOYSA-N 0 0 413.439 6.337 40 0 HKABRN S=C(NCCSCc1c(Cl)cccc1Cl)Nc1ccccc1Cl ZINC000225363582 568631589 /nfs/dbraw/zinc/63/15/89/568631589.db2.gz FJTYTTAIRDWLHJ-UHFFFAOYSA-N 0 0 405.803 5.867 40 0 HKABRN S=C(NCCSCc1c(Cl)cccc1Cl)Nc1cccc(Cl)c1 ZINC000225363629 568631581 /nfs/dbraw/zinc/63/15/81/568631581.db2.gz STEOMWUBKLWODA-UHFFFAOYSA-N 0 0 405.803 5.867 40 0 HKABRN S=C(NCCSCc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1 ZINC000225363679 568631591 /nfs/dbraw/zinc/63/15/91/568631591.db2.gz UWXOAOWGELTQKS-UHFFFAOYSA-N 0 0 405.803 5.867 40 0 HKABRN COc1cccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)c1 ZINC000225363832 568631641 /nfs/dbraw/zinc/63/16/41/568631641.db2.gz LQQOCAKZFCMHCG-UHFFFAOYSA-N 0 0 401.384 5.222 40 0 HKABRN COc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000225363887 568631840 /nfs/dbraw/zinc/63/18/40/568631840.db2.gz GNBVUEVJVSMQGG-UHFFFAOYSA-N 0 0 401.384 5.222 40 0 HKABRN CCOc1ccccc1NC(=S)NCCSCc1c(Cl)cccc1Cl ZINC000225363934 568631824 /nfs/dbraw/zinc/63/18/24/568631824.db2.gz VUVTYMZICQWXRX-UHFFFAOYSA-N 0 0 415.411 5.612 40 0 HKABRN CCOc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000225363980 568631843 /nfs/dbraw/zinc/63/18/43/568631843.db2.gz WFHHMJJDWVGSTI-UHFFFAOYSA-N 0 0 415.411 5.612 40 0 HKABRN Cc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)cc1Cl ZINC000225364380 568631853 /nfs/dbraw/zinc/63/18/53/568631853.db2.gz GCKUMEUECPPYHW-UHFFFAOYSA-N 0 0 419.830 6.175 40 0 HKABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCc1c(Cl)cccc1Cl ZINC000225364409 568631850 /nfs/dbraw/zinc/63/18/50/568631850.db2.gz DHCGJVVSKIZTLK-UHFFFAOYSA-N 0 0 424.715 5.288 40 0 HKABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCc1c(Cl)cccc1Cl ZINC000225364459 568631834 /nfs/dbraw/zinc/63/18/34/568631834.db2.gz WCLTWBXOJUIPGM-UHFFFAOYSA-N 0 0 424.715 5.288 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 ZINC000225364536 568631861 /nfs/dbraw/zinc/63/18/61/568631861.db2.gz YELYHCMMWOKOPP-MIDMBNTASA-N 0 0 418.562 5.322 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 ZINC000225364571 568631820 /nfs/dbraw/zinc/63/18/20/568631820.db2.gz YELYHCMMWOKOPP-IQJJTXKVSA-N 0 0 418.562 5.322 40 0 HKABRN Fc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)cc1Cl ZINC000225364785 568631854 /nfs/dbraw/zinc/63/18/54/568631854.db2.gz MPGYJRJTRYOQTM-UHFFFAOYSA-N 0 0 423.793 6.006 40 0 HKABRN Fc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)c(F)c1 ZINC000225364836 568631847 /nfs/dbraw/zinc/63/18/47/568631847.db2.gz PREXTMBKNYTHRO-UHFFFAOYSA-N 0 0 407.338 5.491 40 0 HKABRN CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)CCc1c(Cl)cccc1Cl ZINC000225364970 568631821 /nfs/dbraw/zinc/63/18/21/568631821.db2.gz IJBBVAWRBKULGB-UHFFFAOYSA-N 0 0 424.715 5.288 40 0 HKABRN Fc1cccc(F)c1NC(=S)NCCSCc1c(Cl)cccc1Cl ZINC000225365132 568631830 /nfs/dbraw/zinc/63/18/30/568631830.db2.gz GQVGLSJOIGAEBB-UHFFFAOYSA-N 0 0 407.338 5.491 40 0 HKABRN Fc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)cc1F ZINC000225365188 568631857 /nfs/dbraw/zinc/63/18/57/568631857.db2.gz NCGHFGWOGQVNSP-UHFFFAOYSA-N 0 0 407.338 5.491 40 0 HKABRN O=C(CCc1c(Cl)cccc1Cl)Nc1nnc(SCc2ccccc2)s1 ZINC000225365343 568631865 /nfs/dbraw/zinc/63/18/65/568631865.db2.gz NWPAVHIHDKUYHC-UHFFFAOYSA-N 0 0 424.378 5.709 40 0 HKABRN CCOc1cccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)c1 ZINC000225365372 568631826 /nfs/dbraw/zinc/63/18/26/568631826.db2.gz QZNLQXRPTHVWLX-UHFFFAOYSA-N 0 0 415.411 5.612 40 0 HKABRN O=C(CCc1ccc(Cl)cc1Cl)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000225365987 568631846 /nfs/dbraw/zinc/63/18/46/568631846.db2.gz QJSGQYBMAZKNHX-HXUWFJFHSA-N 0 0 418.364 6.269 40 0 HKABRN O=C(CCc1ccc(Cl)cc1Cl)N[C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000225366017 568631831 /nfs/dbraw/zinc/63/18/31/568631831.db2.gz QJSGQYBMAZKNHX-FQEVSTJZSA-N 0 0 418.364 6.269 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)CCc2ccc(Cl)cc2Cl)c2ccccc2O1 ZINC000225366073 568631862 /nfs/dbraw/zinc/63/18/62/568631862.db2.gz PTLKZYXRAWTIMO-LJQANCHMSA-N 0 0 406.353 6.125 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)CCc2ccc(Cl)cc2Cl)c2ccccc2O1 ZINC000225366108 568631823 /nfs/dbraw/zinc/63/18/23/568631823.db2.gz PTLKZYXRAWTIMO-IBGZPJMESA-N 0 0 406.353 6.125 40 0 HKABRN O=C(Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)OCC1(CC1)CO2 ZINC000225367566 568631851 /nfs/dbraw/zinc/63/18/51/568631851.db2.gz JDDNULYJSFTOMJ-UHFFFAOYSA-N 0 0 403.503 5.642 40 0 HKABRN O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(I)cc1 ZINC000225367589 568632099 /nfs/dbraw/zinc/63/20/99/568632099.db2.gz HXKKMHZZNXEAOQ-UHFFFAOYSA-N 0 0 420.077 5.169 40 0 HKABRN Fc1cccc(Cl)c1CSCCNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000225367602 568632087 /nfs/dbraw/zinc/63/20/87/568632087.db2.gz MCEXZHFHSPAEMF-UHFFFAOYSA-N 0 0 422.900 5.718 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc2c(c1)OCC1(CC1)CO2 ZINC000225367617 568632063 /nfs/dbraw/zinc/63/20/63/568632063.db2.gz KLUNJHZMVOGPBF-UHFFFAOYSA-N 0 0 421.880 5.936 40 0 HKABRN Cc1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)cc1Cl ZINC000225367891 568632094 /nfs/dbraw/zinc/63/20/94/568632094.db2.gz TYDRRBXAWPEWOE-UHFFFAOYSA-N 0 0 403.375 5.661 40 0 HKABRN COc1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)cc1Cl ZINC000225367991 568632051 /nfs/dbraw/zinc/63/20/51/568632051.db2.gz NNEGJJRFRGFPOL-UHFFFAOYSA-N 0 0 419.374 5.361 40 0 HKABRN O=C(CCc1ccc(Cl)cc1Cl)NCCSCc1ccccc1Cl ZINC000225368229 568632070 /nfs/dbraw/zinc/63/20/70/568632070.db2.gz SRGCRIMYJPSBQJ-UHFFFAOYSA-N 0 0 402.774 5.629 40 0 HKABRN Fc1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)cc1Cl ZINC000225368280 568632079 /nfs/dbraw/zinc/63/20/79/568632079.db2.gz YSYLTTDRBZFDCR-UHFFFAOYSA-N 0 0 407.338 5.491 40 0 HKABRN O=C(CCc1ccc(Cl)cc1Cl)NCCSCc1cccc(Cl)c1 ZINC000225368284 568632098 /nfs/dbraw/zinc/63/20/98/568632098.db2.gz UTNOQQSVNLRNQG-UHFFFAOYSA-N 0 0 402.774 5.629 40 0 HKABRN O=C(CCc1ccc(Cl)cc1Cl)NCCSCc1ccc(Cl)cc1 ZINC000225368328 568632028 /nfs/dbraw/zinc/63/20/28/568632028.db2.gz KDNAYYGMRDYCHM-UHFFFAOYSA-N 0 0 402.774 5.629 40 0 HKABRN Fc1cccc(Cl)c1CSCCNC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000225368520 568632076 /nfs/dbraw/zinc/63/20/76/568632076.db2.gz AMJGPPQUHRDUDT-UHFFFAOYSA-N 0 0 422.900 5.718 40 0 HKABRN CC(C)Oc1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)cc1 ZINC000225369344 568632093 /nfs/dbraw/zinc/63/20/93/568632093.db2.gz UVHBPCZAQVNQLE-UHFFFAOYSA-N 0 0 412.983 5.486 40 0 HKABRN CC(C)Oc1cccc(NC(=S)NCCSCc2c(F)cccc2Cl)c1 ZINC000225369398 568632071 /nfs/dbraw/zinc/63/20/71/568632071.db2.gz JADCPHSCEPGCFF-UHFFFAOYSA-N 0 0 412.983 5.486 40 0 HKABRN O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(OCc2ccccc2)cc1 ZINC000225369422 568632084 /nfs/dbraw/zinc/63/20/84/568632084.db2.gz BSUABBAADJNOKV-UHFFFAOYSA-N 0 0 400.305 6.144 40 0 HKABRN O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(CSc2ccccc2)cc1 ZINC000225369621 568632097 /nfs/dbraw/zinc/63/20/97/568632097.db2.gz XTVBHRNXXHCCHY-UHFFFAOYSA-N 0 0 416.373 6.857 40 0 HKABRN O=C(CCc1ccc(Cl)cc1Cl)NCCSCc1c(F)cccc1Cl ZINC000225370201 568632073 /nfs/dbraw/zinc/63/20/73/568632073.db2.gz DUHVRPQTKIUSEU-UHFFFAOYSA-N 0 0 420.764 5.768 40 0 HKABRN O=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000225370409 568632090 /nfs/dbraw/zinc/63/20/90/568632090.db2.gz SWFCUEYEPAGFBY-UHFFFAOYSA-N 0 0 419.352 5.627 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1)c1ccc(C)c(C)c1 ZINC000225370475 568632077 /nfs/dbraw/zinc/63/20/77/568632077.db2.gz IFCKKRZVAYMCSQ-KDYMBEQYSA-N 0 0 416.521 5.243 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1)c1ccc(C)c(C)c1 ZINC000225370511 568632030 /nfs/dbraw/zinc/63/20/30/568632030.db2.gz IFCKKRZVAYMCSQ-VNLJKWRZSA-N 0 0 416.521 5.243 40 0 HKABRN O=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NCc1ccco1 ZINC000225370790 568632091 /nfs/dbraw/zinc/63/20/91/568632091.db2.gz DSSUEADLNQGHGN-UHFFFAOYSA-N 0 0 417.292 5.088 40 0 HKABRN COC(=O)c1c(NC(=O)CCc2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000225371222 568632086 /nfs/dbraw/zinc/63/20/86/568632086.db2.gz RSKVVQYNUNVWRI-UHFFFAOYSA-N 0 0 412.338 5.292 40 0 HKABRN O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(Br)c(Cl)c1 ZINC000225371744 568632072 /nfs/dbraw/zinc/63/20/72/568632072.db2.gz ZLPKXEURCVWMDT-UHFFFAOYSA-N 0 0 407.522 5.981 40 0 HKABRN O=C(CCc1ccc(Cl)cc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000225371845 568632035 /nfs/dbraw/zinc/63/20/35/568632035.db2.gz WHVINAMBTIMRJX-UHFFFAOYSA-N 0 0 420.723 7.010 40 0 HKABRN O=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1Sc1ccccc1 ZINC000225371890 568632057 /nfs/dbraw/zinc/63/20/57/568632057.db2.gz CAHOKXAKTOLKML-UHFFFAOYSA-N 0 0 402.346 6.716 40 0 HKABRN FC(F)(F)c1cccc(C2=N[C@@H](c3ccccc3)c3ccccc3-n3cccc32)c1 ZINC000225373830 568632238 /nfs/dbraw/zinc/63/22/38/568632238.db2.gz DPZXEOBKILWLSS-QHCPKHFHSA-N 0 0 402.419 6.437 40 0 HKABRN FC(F)(F)c1cccc(C2=N[C@H](c3ccccc3)c3ccccc3-n3cccc32)c1 ZINC000225373867 568632279 /nfs/dbraw/zinc/63/22/79/568632279.db2.gz DPZXEOBKILWLSS-HSZRJFAPSA-N 0 0 402.419 6.437 40 0 HKABRN CCC1(CC)C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2O1 ZINC000225374215 568632233 /nfs/dbraw/zinc/63/22/33/568632233.db2.gz BMUYEVJUTYAHTE-MRXNPFEDSA-N 0 0 414.354 5.354 40 0 HKABRN CCC1(CC)C[C@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2O1 ZINC000225374243 568632325 /nfs/dbraw/zinc/63/23/25/568632325.db2.gz BMUYEVJUTYAHTE-INIZCTEOSA-N 0 0 414.354 5.354 40 0 HKABRN COc1cc2c(cc1OC)-n1cccc1C(c1cccc(C(F)(F)F)c1)=N[C@@H]2C ZINC000225374886 568632337 /nfs/dbraw/zinc/63/23/37/568632337.db2.gz XCMCNFYJDVUYMQ-CYBMUJFWSA-N 0 0 400.400 5.425 40 0 HKABRN COc1cc2c(cc1OC)-n1cccc1C(c1cccc(C(F)(F)F)c1)=N[C@H]2C ZINC000225374918 568632333 /nfs/dbraw/zinc/63/23/33/568632333.db2.gz XCMCNFYJDVUYMQ-ZDUSSCGKSA-N 0 0 400.400 5.425 40 0 HKABRN CCOC(=O)c1cc(NC(=O)CCc2ccc(Cl)cc2Cl)ccc1Cl ZINC000225374947 568632312 /nfs/dbraw/zinc/63/23/12/568632312.db2.gz PPZUIGGSFXGXNB-UHFFFAOYSA-N 0 0 400.689 5.395 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1Cl ZINC000225375003 568632322 /nfs/dbraw/zinc/63/23/22/568632322.db2.gz DMMXBIRSCRXUTL-UHFFFAOYSA-N 0 0 400.689 5.395 40 0 HKABRN CC[C@@H]1N=C(c2cccc(C(F)(F)F)c2)c2cccn2-c2cc3c(cc21)OCCO3 ZINC000225375366 568632296 /nfs/dbraw/zinc/63/22/96/568632296.db2.gz KSIACTUFISBXIR-KRWDZBQOSA-N 0 0 412.411 5.569 40 0 HKABRN CC[C@H]1N=C(c2cccc(C(F)(F)F)c2)c2cccn2-c2cc3c(cc21)OCCO3 ZINC000225375397 568632347 /nfs/dbraw/zinc/63/23/47/568632347.db2.gz KSIACTUFISBXIR-QGZVFWFLSA-N 0 0 412.411 5.569 40 0 HKABRN O=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCCC1 ZINC000225375421 568632349 /nfs/dbraw/zinc/63/23/49/568632349.db2.gz ILTIJKZDWHQUBO-UHFFFAOYSA-N 0 0 405.325 5.191 40 0 HKABRN O=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000225375441 568632329 /nfs/dbraw/zinc/63/23/29/568632329.db2.gz LYPXHXKQSKJTKN-UHFFFAOYSA-N 0 0 419.352 5.581 40 0 HKABRN CC(C)OCCCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000225375807 568632317 /nfs/dbraw/zinc/63/23/17/568632317.db2.gz REBYKJZBSLKHBD-UHFFFAOYSA-N 0 0 412.599 5.317 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)CCc3ccc(Cl)cc3Cl)ccc21 ZINC000225376148 568632320 /nfs/dbraw/zinc/63/23/20/568632320.db2.gz WCTOIVKFXLXWJR-UHFFFAOYSA-N 0 0 411.332 6.693 40 0 HKABRN S=C(NCc1ccc2c(c1)OCO2)Nc1ccc(CSc2ccccc2)cc1 ZINC000225376770 568632345 /nfs/dbraw/zinc/63/23/45/568632345.db2.gz OUIBCIDBHYOKQI-UHFFFAOYSA-N 0 0 408.548 5.194 40 0 HKABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C ZINC000225377562 568632441 /nfs/dbraw/zinc/63/24/41/568632441.db2.gz VRMRCKKZWCPRSO-MRXNPFEDSA-N 0 0 413.543 5.046 40 0 HKABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C ZINC000225377596 568632593 /nfs/dbraw/zinc/63/25/93/568632593.db2.gz VRMRCKKZWCPRSO-INIZCTEOSA-N 0 0 413.543 5.046 40 0 HKABRN CC[C@@H]1N=C(c2cccc(C(F)(F)F)c2)c2cccn2-c2cc(OC)c(OC)cc21 ZINC000225377954 568632610 /nfs/dbraw/zinc/63/26/10/568632610.db2.gz NJZDZURLHHGCGK-KRWDZBQOSA-N 0 0 414.427 5.815 40 0 HKABRN CC[C@H]1N=C(c2cccc(C(F)(F)F)c2)c2cccn2-c2cc(OC)c(OC)cc21 ZINC000225377984 568632623 /nfs/dbraw/zinc/63/26/23/568632623.db2.gz NJZDZURLHHGCGK-QGZVFWFLSA-N 0 0 414.427 5.815 40 0 HKABRN COc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)CC(C)(C)O2 ZINC000225378332 568632518 /nfs/dbraw/zinc/63/25/18/568632518.db2.gz HWHQSLRZVVJLQF-SFHVURJKSA-N 0 0 408.325 5.353 40 0 HKABRN COc1ccc2c(c1)[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)CC(C)(C)O2 ZINC000225378360 568632621 /nfs/dbraw/zinc/63/26/21/568632621.db2.gz HWHQSLRZVVJLQF-GOSISDBHSA-N 0 0 408.325 5.353 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc(Cl)cc1Cl ZINC000225378394 568632449 /nfs/dbraw/zinc/63/24/49/568632449.db2.gz NBZCICAFHNCHNO-SFHVURJKSA-N 0 0 408.325 5.353 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccc(Cl)cc1Cl ZINC000225378423 568632526 /nfs/dbraw/zinc/63/25/26/568632526.db2.gz NBZCICAFHNCHNO-GOSISDBHSA-N 0 0 408.325 5.353 40 0 HKABRN O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000225379600 568632807 /nfs/dbraw/zinc/63/28/07/568632807.db2.gz DXSKYNWEIFABIQ-UHFFFAOYSA-N 0 0 405.325 5.191 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1OCC ZINC000225379642 568632822 /nfs/dbraw/zinc/63/28/22/568632822.db2.gz ARVMGXDOWDZKRA-CQSZACIVSA-N 0 0 410.341 5.601 40 0 HKABRN CCOc1ccc([C@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1OCC ZINC000225379678 568632761 /nfs/dbraw/zinc/63/27/61/568632761.db2.gz ARVMGXDOWDZKRA-AWEZNQCLSA-N 0 0 410.341 5.601 40 0 HKABRN Cc1ccc([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 ZINC000225379873 568632723 /nfs/dbraw/zinc/63/27/23/568632723.db2.gz DBYLPQKEQHZSMV-OSVNEOKWSA-N 0 0 404.535 5.013 40 0 HKABRN Cc1ccc([C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 ZINC000225379907 568632849 /nfs/dbraw/zinc/63/28/49/568632849.db2.gz DBYLPQKEQHZSMV-CEZZIEKDSA-N 0 0 404.535 5.013 40 0 HKABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCc1ccc(Cl)cc1Cl ZINC000225380904 568633007 /nfs/dbraw/zinc/63/30/07/568633007.db2.gz NUUUHOCZFRSXNN-UHFFFAOYSA-N 0 0 424.715 5.288 40 0 HKABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCc1ccc(Cl)cc1Cl ZINC000225380948 568633028 /nfs/dbraw/zinc/63/30/28/568633028.db2.gz KXOOHEQHGUQKCQ-UHFFFAOYSA-N 0 0 424.715 5.288 40 0 HKABRN CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)CCc1ccc(Cl)cc1Cl ZINC000225381407 568633036 /nfs/dbraw/zinc/63/30/36/568633036.db2.gz HEEFEDVCTUHDJI-UHFFFAOYSA-N 0 0 424.715 5.288 40 0 HKABRN O=C(CCc1ccc(Cl)cc1Cl)Nc1nnc(SCc2ccccc2)s1 ZINC000225381665 568633098 /nfs/dbraw/zinc/63/30/98/568633098.db2.gz WBJZUJWHMGHPQO-UHFFFAOYSA-N 0 0 424.378 5.709 40 0 HKABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)[nH]1 ZINC000225382535 568633043 /nfs/dbraw/zinc/63/30/43/568633043.db2.gz WSSCCWQBMRTWTD-DHIUTWEWSA-N 0 0 418.566 5.217 40 0 HKABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)[nH]1 ZINC000225382560 568633075 /nfs/dbraw/zinc/63/30/75/568633075.db2.gz WSSCCWQBMRTWTD-PKTZIBPZSA-N 0 0 418.566 5.217 40 0 HKABRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)[nH]1 ZINC000225382590 568633070 /nfs/dbraw/zinc/63/30/70/568633070.db2.gz WSSCCWQBMRTWTD-XZOQPEGZSA-N 0 0 418.566 5.217 40 0 HKABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)[nH]1 ZINC000225382623 568633127 /nfs/dbraw/zinc/63/31/27/568633127.db2.gz WSSCCWQBMRTWTD-GOTSBHOMSA-N 0 0 418.566 5.217 40 0 HKABRN CC(C)Sc1nnc(NC(=O)c2ccc(CSc3ccccc3)cc2)s1 ZINC000225386585 568633344 /nfs/dbraw/zinc/63/33/44/568633344.db2.gz QHVCJYFKMGKDNR-UHFFFAOYSA-N 0 0 401.582 5.583 40 0 HKABRN Cc1ccc(CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000225387830 568633246 /nfs/dbraw/zinc/63/32/46/568633246.db2.gz VKLFBKAJOGKPEK-UHFFFAOYSA-N 0 0 406.620 6.207 40 0 HKABRN CCCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225389118 568633414 /nfs/dbraw/zinc/63/34/14/568633414.db2.gz QOTMEJVHXHVAHY-DEOSSOPVSA-N 0 0 424.560 5.015 40 0 HKABRN CCCC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225389165 568633490 /nfs/dbraw/zinc/63/34/90/568633490.db2.gz QOTMEJVHXHVAHY-XMMPIXPASA-N 0 0 424.560 5.015 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1F ZINC000225391262 568633487 /nfs/dbraw/zinc/63/34/87/568633487.db2.gz SCIXIDRTYLZYTP-UHFFFAOYSA-N 0 0 405.469 5.615 40 0 HKABRN COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1F ZINC000225391332 568633531 /nfs/dbraw/zinc/63/35/31/568633531.db2.gz AGWIXDHYBWUVPT-UHFFFAOYSA-N 0 0 420.484 5.636 40 0 HKABRN Cc1cccc(CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)c1 ZINC000225392026 568633663 /nfs/dbraw/zinc/63/36/63/568633663.db2.gz WGMBKLRLLUDSAO-UHFFFAOYSA-N 0 0 406.620 6.207 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1F ZINC000225393025 568633744 /nfs/dbraw/zinc/63/37/44/568633744.db2.gz YPWRNYXDUQNYHX-UHFFFAOYSA-N 0 0 401.890 6.032 40 0 HKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)cc1F ZINC000225393784 568633688 /nfs/dbraw/zinc/63/36/88/568633688.db2.gz HMNSNSYSFGBSHR-UHFFFAOYSA-N 0 0 401.821 5.541 40 0 HKABRN COc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(OC)c(F)c2)c1 ZINC000225395554 568633630 /nfs/dbraw/zinc/63/36/30/568633630.db2.gz MXQIYKUSQYNMON-UHFFFAOYSA-N 0 0 401.821 5.541 40 0 HKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(OC)c(F)c2)cc1 ZINC000225395604 568633643 /nfs/dbraw/zinc/63/36/43/568633643.db2.gz CZFTZRNZHGJMJD-UHFFFAOYSA-N 0 0 401.821 5.541 40 0 HKABRN CCOc1ccccc1CCCNC(=S)Nc1ccc(Br)c(C)c1 ZINC000225396107 568633830 /nfs/dbraw/zinc/63/38/30/568633830.db2.gz DJHSHQVLMNWQHB-UHFFFAOYSA-N 0 0 407.377 5.075 40 0 HKABRN CCOc1ccccc1CCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225396175 568633823 /nfs/dbraw/zinc/63/38/23/568633823.db2.gz PTBKGOCHKHCEBN-UHFFFAOYSA-N 0 0 416.896 5.677 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)NCCSCc2c(F)cccc2Cl)c1 ZINC000225398570 568634002 /nfs/dbraw/zinc/63/40/02/568634002.db2.gz BAAZRXYXAKPCDH-UHFFFAOYSA-N 0 0 409.954 5.339 40 0 HKABRN CCCCc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1 ZINC000225399195 568634067 /nfs/dbraw/zinc/63/40/67/568634067.db2.gz GNERDPLOMFQJNY-QJOMJCCJSA-N 0 0 418.562 5.809 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc4c(c3)OCCO4)c2)cc1 ZINC000225400803 568634183 /nfs/dbraw/zinc/63/41/83/568634183.db2.gz VCACSRFHNPHZJZ-UHFFFAOYSA-N 0 0 415.489 5.239 40 0 HKABRN O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000225401962 568634432 /nfs/dbraw/zinc/63/44/32/568634432.db2.gz DUIGUAOKPTZZJA-UHFFFAOYSA-N 0 0 411.910 5.656 40 0 HKABRN COc1ccccc1Oc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000225402501 568634480 /nfs/dbraw/zinc/63/44/80/568634480.db2.gz ZWGYWZCUTPWAHI-UHFFFAOYSA-N 0 0 411.841 5.164 40 0 HKABRN COc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000225404271 568634534 /nfs/dbraw/zinc/63/45/34/568634534.db2.gz QWAZYCCPQAOLQP-UHFFFAOYSA-N 0 0 411.841 5.164 40 0 HKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000225404337 568634476 /nfs/dbraw/zinc/63/44/76/568634476.db2.gz DJZFAASUQQOQAU-UHFFFAOYSA-N 0 0 411.841 5.164 40 0 HKABRN Cc1cc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1Br ZINC000225405222 568634729 /nfs/dbraw/zinc/63/47/29/568634729.db2.gz YFQAGXBPDNZXJW-AWEZNQCLSA-N 0 0 405.405 6.103 40 0 HKABRN Cc1cc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1Br ZINC000225405266 568634686 /nfs/dbraw/zinc/63/46/86/568634686.db2.gz YFQAGXBPDNZXJW-CQSZACIVSA-N 0 0 405.405 6.103 40 0 HKABRN C[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C(C)(C)C)cc1 ZINC000225405326 568634698 /nfs/dbraw/zinc/63/46/98/568634698.db2.gz KAQZNLNGUHINQR-GFCCVEGCSA-N 0 0 414.924 6.704 40 0 HKABRN C[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C(C)(C)C)cc1 ZINC000225405370 568634724 /nfs/dbraw/zinc/63/47/24/568634724.db2.gz KAQZNLNGUHINQR-LBPRGKRZSA-N 0 0 414.924 6.704 40 0 HKABRN C[C@@H](NC(=S)Nc1ccc(Br)cc1F)c1ccc(C(C)(C)C)cc1 ZINC000225406377 568634753 /nfs/dbraw/zinc/63/47/53/568634753.db2.gz FKOBLCVKDMBWIU-GFCCVEGCSA-N 0 0 409.368 5.933 40 0 HKABRN C[C@H](NC(=S)Nc1ccc(Br)cc1F)c1ccc(C(C)(C)C)cc1 ZINC000225406425 568634682 /nfs/dbraw/zinc/63/46/82/568634682.db2.gz FKOBLCVKDMBWIU-LBPRGKRZSA-N 0 0 409.368 5.933 40 0 HKABRN COC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1Cl ZINC000225406488 568634626 /nfs/dbraw/zinc/63/46/26/568634626.db2.gz MVQKCSQTUSKCEN-ZDUSSCGKSA-N 0 0 404.963 5.472 40 0 HKABRN COC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1Cl ZINC000225406534 568634695 /nfs/dbraw/zinc/63/46/95/568634695.db2.gz MVQKCSQTUSKCEN-CYBMUJFWSA-N 0 0 404.963 5.472 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 ZINC000225406589 568634708 /nfs/dbraw/zinc/63/47/08/568634708.db2.gz RXSJODZFBFHLRU-ZDUSSCGKSA-N 0 0 404.963 5.472 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 ZINC000225406635 568634664 /nfs/dbraw/zinc/63/46/64/568634664.db2.gz RXSJODZFBFHLRU-CYBMUJFWSA-N 0 0 404.963 5.472 40 0 HKABRN CCOC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1Cl ZINC000225407477 568634676 /nfs/dbraw/zinc/63/46/76/568634676.db2.gz GHLPKYFJHOFHCG-AWEZNQCLSA-N 0 0 418.990 5.862 40 0 HKABRN CCOC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1Cl ZINC000225407516 568634670 /nfs/dbraw/zinc/63/46/70/568634670.db2.gz GHLPKYFJHOFHCG-CQSZACIVSA-N 0 0 418.990 5.862 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000225407572 568634733 /nfs/dbraw/zinc/63/47/33/568634733.db2.gz WSIJYZWBMZOITB-AWEZNQCLSA-N 0 0 418.990 5.862 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000225407613 568634717 /nfs/dbraw/zinc/63/47/17/568634717.db2.gz WSIJYZWBMZOITB-CQSZACIVSA-N 0 0 418.990 5.862 40 0 HKABRN Cc1cc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1N1CCCC1=O ZINC000225408143 568634745 /nfs/dbraw/zinc/63/47/45/568634745.db2.gz XCRIOUSLLKVVPI-KRWDZBQOSA-N 0 0 409.599 5.467 40 0 HKABRN Cc1cc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1N1CCCC1=O ZINC000225408189 568634998 /nfs/dbraw/zinc/63/49/98/568634998.db2.gz XCRIOUSLLKVVPI-QGZVFWFLSA-N 0 0 409.599 5.467 40 0 HKABRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1N1CCCC1=O ZINC000225408250 568634910 /nfs/dbraw/zinc/63/49/10/568634910.db2.gz IQJRWDUPWDMVLQ-KRWDZBQOSA-N 0 0 409.599 5.467 40 0 HKABRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1N1CCCC1=O ZINC000225408293 568634954 /nfs/dbraw/zinc/63/49/54/568634954.db2.gz IQJRWDUPWDMVLQ-QGZVFWFLSA-N 0 0 409.599 5.467 40 0 HKABRN C[C@@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000225408462 568635010 /nfs/dbraw/zinc/63/50/10/568635010.db2.gz HVODJPAVWDUPEW-GOSISDBHSA-N 0 0 423.626 5.658 40 0 HKABRN C[C@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000225408502 568634914 /nfs/dbraw/zinc/63/49/14/568634914.db2.gz HVODJPAVWDUPEW-SFHVURJKSA-N 0 0 423.626 5.658 40 0 HKABRN COc1ccccc1[C@@H](C)NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000225411933 568635292 /nfs/dbraw/zinc/63/52/92/568635292.db2.gz QIJYZPSQJMPIRK-OAHLLOKOSA-N 0 0 421.368 5.091 40 0 HKABRN COc1ccccc1[C@H](C)NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000225411978 568635252 /nfs/dbraw/zinc/63/52/52/568635252.db2.gz QIJYZPSQJMPIRK-HNNXBMFYSA-N 0 0 421.368 5.091 40 0 HKABRN Cc1cc(NC(=S)NCCSCc2ccccc2F)ccc1Br ZINC000225412412 568635115 /nfs/dbraw/zinc/63/51/15/568635115.db2.gz UFXIATXXKUUYMX-UHFFFAOYSA-N 0 0 413.381 5.116 40 0 HKABRN Fc1ccccc1CSCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225412471 568635162 /nfs/dbraw/zinc/63/51/62/568635162.db2.gz YNLLQUIMMQHYQK-UHFFFAOYSA-N 0 0 422.900 5.718 40 0 HKABRN Fc1ccccc1CSCCNC(=S)Nc1ccc(OC2CCCC2)cc1 ZINC000225414118 568635470 /nfs/dbraw/zinc/63/54/70/568635470.db2.gz BSGJRBAOMPILRV-UHFFFAOYSA-N 0 0 404.576 5.367 40 0 HKABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225414453 568635457 /nfs/dbraw/zinc/63/54/57/568635457.db2.gz GZUGFZUHLSCTGQ-DEOSSOPVSA-N 0 0 424.560 5.015 40 0 HKABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225414492 568635440 /nfs/dbraw/zinc/63/54/40/568635440.db2.gz GZUGFZUHLSCTGQ-XMMPIXPASA-N 0 0 424.560 5.015 40 0 HKABRN Cc1cccc(CNC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000225427797 568637305 /nfs/dbraw/zinc/63/73/05/568637305.db2.gz BVFKERQBXUKHOH-UHFFFAOYSA-N 0 0 416.590 6.010 40 0 HKABRN CCOc1ccc(CNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000225430487 568637574 /nfs/dbraw/zinc/63/75/74/568637574.db2.gz MJVGJQFEMTVPOW-UHFFFAOYSA-N 0 0 408.592 5.864 40 0 HKABRN CSc1nnc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)s1 ZINC000225431728 568637644 /nfs/dbraw/zinc/63/76/44/568637644.db2.gz YSPUPEFRTOBDFH-UHFFFAOYSA-N 0 0 407.973 5.458 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1)c1ccc(OC)c(C)c1 ZINC000225433573 568637567 /nfs/dbraw/zinc/63/75/67/568637567.db2.gz YOTICAJMPCNTMH-GBOLQPHISA-N 0 0 415.533 5.820 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1)c1ccc(OC)c(C)c1 ZINC000225433621 568637518 /nfs/dbraw/zinc/63/75/18/568637518.db2.gz YOTICAJMPCNTMH-GRBCXPRBSA-N 0 0 415.533 5.820 40 0 HKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000225434266 568637896 /nfs/dbraw/zinc/63/78/96/568637896.db2.gz RCPZZFNFLJMXNY-MRXNPFEDSA-N 0 0 419.959 5.280 40 0 HKABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000225434309 568637866 /nfs/dbraw/zinc/63/78/66/568637866.db2.gz RCPZZFNFLJMXNY-INIZCTEOSA-N 0 0 419.959 5.280 40 0 HKABRN C[C@H](O)c1c(C(=O)N2CCC(Cc3ccccc3)CC2)onc1-c1ccc(Cl)cc1 ZINC000225437263 291295894 /nfs/dbraw/zinc/29/58/94/291295894.db2.gz GUOYQCDFFXWKDC-INIZCTEOSA-N 0 0 424.928 5.143 40 0 biogenic,in-vitro HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)Cc3ccccc3Cl)c2)cc1 ZINC000225437892 568637687 /nfs/dbraw/zinc/63/76/87/568637687.db2.gz RXYMYXCRMCSSTF-UHFFFAOYSA-N 0 0 405.925 6.050 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3Cl)c2)cc1 ZINC000225437949 568637711 /nfs/dbraw/zinc/63/77/11/568637711.db2.gz PFVHINYKEIYKJV-UHFFFAOYSA-N 0 0 420.940 6.071 40 0 HKABRN C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000225438142 291296176 /nfs/dbraw/zinc/29/61/76/291296176.db2.gz KDLMOKFNTGUPHP-INIZCTEOSA-N 0 0 424.928 5.143 40 0 biogenic,in-vitro HKABRN O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1SCc1ccccc1 ZINC000225439160 568637947 /nfs/dbraw/zinc/63/79/47/568637947.db2.gz DFDGIALUQWVTAW-UHFFFAOYSA-N 0 0 403.532 5.750 40 0 HKABRN CCOc1cccc(CNC(=S)Nc2ccc(CSc3ccccc3)cc2)c1 ZINC000225439253 568637980 /nfs/dbraw/zinc/63/79/80/568637980.db2.gz YXMYFHJAMZMHJS-UHFFFAOYSA-N 0 0 408.592 5.864 40 0 HKABRN O=C(Cc1ccccc1Cl)Nc1ccccc1SCc1ccc(Cl)cc1 ZINC000225439337 568638012 /nfs/dbraw/zinc/63/80/12/568638012.db2.gz SMKIKPVXNOWAMT-UHFFFAOYSA-N 0 0 402.346 6.467 40 0 HKABRN COc1ccccc1Oc1ccc(Cl)cc1NC(=O)Cc1ccccc1Cl ZINC000225440041 568638130 /nfs/dbraw/zinc/63/81/30/568638130.db2.gz NGDBDPRIUMBJTJ-UHFFFAOYSA-N 0 0 402.277 5.976 40 0 HKABRN O=C(N[C@@H]1CC2(CCCCC2)Oc2ccccc21)C1(c2ccccc2)CCOCC1 ZINC000225440319 568637934 /nfs/dbraw/zinc/63/79/34/568637934.db2.gz OBAUGNFSLHYZLL-JOCHJYFZSA-N 0 0 405.538 5.078 40 0 HKABRN O=C(N[C@H]1CC2(CCCCC2)Oc2ccccc21)C1(c2ccccc2)CCOCC1 ZINC000225440355 568638108 /nfs/dbraw/zinc/63/81/08/568638108.db2.gz OBAUGNFSLHYZLL-QFIPXVFZSA-N 0 0 405.538 5.078 40 0 HKABRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1C(C)C ZINC000225440413 568638058 /nfs/dbraw/zinc/63/80/58/568638058.db2.gz JVOLVFOHMJYCSX-SFHVURJKSA-N 0 0 403.588 5.162 40 0 HKABRN COc1cc(C)c(S(=O)(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1C(C)C ZINC000225440446 568637941 /nfs/dbraw/zinc/63/79/41/568637941.db2.gz JVOLVFOHMJYCSX-GOSISDBHSA-N 0 0 403.588 5.162 40 0 HKABRN COc1cccc(Oc2ccc(Cl)cc2NC(=O)Cc2ccccc2Cl)c1 ZINC000225441562 568638360 /nfs/dbraw/zinc/63/83/60/568638360.db2.gz OLYYXDXSOBKVGJ-UHFFFAOYSA-N 0 0 402.277 5.976 40 0 HKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)Cc2ccccc2Cl)cc1 ZINC000225441616 568638262 /nfs/dbraw/zinc/63/82/62/568638262.db2.gz KOTCRBUJOPABOR-UHFFFAOYSA-N 0 0 402.277 5.976 40 0 HKABRN CCOc1ccccc1CNC(=S)Nc1ccc(CSc2ccccc2)cc1 ZINC000225442223 568638219 /nfs/dbraw/zinc/63/82/19/568638219.db2.gz SRFADCYYFJFJPW-UHFFFAOYSA-N 0 0 408.592 5.864 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCc3ccc(F)cc3)c2)cc1 ZINC000225444881 568638511 /nfs/dbraw/zinc/63/85/11/568638511.db2.gz OJLROUWTFZTHQS-UHFFFAOYSA-N 0 0 420.553 5.841 40 0 HKABRN CC(C)Oc1ccc(CNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000225446345 568638521 /nfs/dbraw/zinc/63/85/21/568638521.db2.gz DPIXWOIOEJATCC-UHFFFAOYSA-N 0 0 402.869 5.633 40 0 HKABRN CC(C)Oc1ccc(CNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000225446440 568638493 /nfs/dbraw/zinc/63/84/93/568638493.db2.gz AGDXQWDZDYTPJO-UHFFFAOYSA-N 0 0 422.619 6.253 40 0 HKABRN CC(C)Oc1ccc(CNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000225446742 568638786 /nfs/dbraw/zinc/63/87/86/568638786.db2.gz KVXIFBVFRCSBBA-UHFFFAOYSA-N 0 0 413.768 5.376 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3F)c2)cc1 ZINC000225447169 568638764 /nfs/dbraw/zinc/63/87/64/568638764.db2.gz MPPJXXGTEBZHLL-UHFFFAOYSA-N 0 0 404.485 5.557 40 0 HKABRN Nc1cc(C(=O)N2CCCC2)ccc1Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000225447911 568638794 /nfs/dbraw/zinc/63/87/94/568638794.db2.gz QHBCJFKIKXIUEA-UHFFFAOYSA-N 0 0 407.901 5.694 40 0 HKABRN CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225448081 568638796 /nfs/dbraw/zinc/63/87/96/568638796.db2.gz IJPLDRMPIAKWOY-RUZDIDTESA-N 0 0 422.613 5.119 40 0 HKABRN CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225448121 568638800 /nfs/dbraw/zinc/63/88/00/568638800.db2.gz IJPLDRMPIAKWOY-VWLOTQADSA-N 0 0 422.613 5.119 40 0 HKABRN Cc1nccn1-c1ccccc1CNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225449810 568639068 /nfs/dbraw/zinc/63/90/68/568639068.db2.gz AWTKLCQFORNFNM-UHFFFAOYSA-N 0 0 424.879 5.340 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)/C(=C/c2ccccc2)c2ccccc2)c2ccccc2O1 ZINC000225450000 568639016 /nfs/dbraw/zinc/63/90/16/568639016.db2.gz HSEVPWDDIDWLPR-FLXPQLCOSA-N 0 0 411.545 6.426 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)/C(=C/c2ccccc2)c2ccccc2)c2ccccc2O1 ZINC000225450038 568638866 /nfs/dbraw/zinc/63/88/66/568638866.db2.gz HSEVPWDDIDWLPR-POQGPQTDSA-N 0 0 411.545 6.426 40 0 HKABRN CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225450501 568638878 /nfs/dbraw/zinc/63/88/78/568638878.db2.gz GRTPECMGKKVPFF-FGZHOGPDSA-N 0 0 422.613 5.117 40 0 HKABRN CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225450535 568638856 /nfs/dbraw/zinc/63/88/56/568638856.db2.gz GRTPECMGKKVPFF-FCHUYYIVSA-N 0 0 422.613 5.117 40 0 HKABRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225450576 568638913 /nfs/dbraw/zinc/63/89/13/568638913.db2.gz GRTPECMGKKVPFF-YADHBBJMSA-N 0 0 422.613 5.117 40 0 HKABRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225450614 568638980 /nfs/dbraw/zinc/63/89/80/568638980.db2.gz GRTPECMGKKVPFF-VXKWHMMOSA-N 0 0 422.613 5.117 40 0 HKABRN FC(F)(F)c1cc(NC(=S)NCc2ccc(-n3ccnc3)cc2)ccc1Cl ZINC000225453456 568639108 /nfs/dbraw/zinc/63/91/08/568639108.db2.gz SQKCTMGJGNYGFD-UHFFFAOYSA-N 0 0 410.852 5.031 40 0 HKABRN Cc1ccc(NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000225454340 568639523 /nfs/dbraw/zinc/63/95/23/568639523.db2.gz PIUZZPZHKZFKJQ-UHFFFAOYSA-N 0 0 402.563 6.332 40 0 HKABRN Cc1ccc(NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000225454396 568639354 /nfs/dbraw/zinc/63/93/54/568639354.db2.gz RLTLLCYWCZHFNK-UHFFFAOYSA-N 0 0 417.578 6.354 40 0 HKABRN Cc1nccn1-c1ccc(CNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000225457127 568639636 /nfs/dbraw/zinc/63/96/36/568639636.db2.gz HIHNSWCCJMIZTO-UHFFFAOYSA-N 0 0 424.879 5.340 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)Nc3ccc(F)cc3)c2)cc1 ZINC000225459164 568640031 /nfs/dbraw/zinc/64/00/31/568640031.db2.gz MHNPCGXJZLRXSI-UHFFFAOYSA-N 0 0 406.526 6.163 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)Nc3ccc(F)cc3)c2)cc1 ZINC000225459220 519020940 /nfs/dbraw/zinc/02/09/40/519020940.db2.gz LGYJKODGBLNPCN-UHFFFAOYSA-N 0 0 421.541 6.184 40 0 HKABRN S=C(Nc1ccc(CSc2ccccc2)cc1)N[C@@H]1CCCc2ccccc21 ZINC000225459874 568640049 /nfs/dbraw/zinc/64/00/49/568640049.db2.gz LQHMZOJLATXIGS-HSZRJFAPSA-N 0 0 404.604 6.343 40 0 HKABRN S=C(Nc1ccc(CSc2ccccc2)cc1)N[C@H]1CCCc2ccccc21 ZINC000225459907 568640078 /nfs/dbraw/zinc/64/00/78/568640078.db2.gz LQHMZOJLATXIGS-QHCPKHFHSA-N 0 0 404.604 6.343 40 0 HKABRN COc1ccccc1Oc1ccc(Cl)cc1NC(=S)Nc1ccc(F)cc1 ZINC000225460337 568640209 /nfs/dbraw/zinc/64/02/09/568640209.db2.gz KKTJOZMKKRTLFJ-UHFFFAOYSA-N 0 0 402.878 6.089 40 0 HKABRN COc1cccc(Oc2ccc(Cl)cc2NC(=S)Nc2ccc(F)cc2)c1 ZINC000225460557 568640233 /nfs/dbraw/zinc/64/02/33/568640233.db2.gz XLGRPRSZBDLMBP-UHFFFAOYSA-N 0 0 402.878 6.089 40 0 HKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=S)Nc2ccc(F)cc2)cc1 ZINC000225460610 568640260 /nfs/dbraw/zinc/64/02/60/568640260.db2.gz MXBCEKSBMMJBTL-UHFFFAOYSA-N 0 0 402.878 6.089 40 0 HKABRN O=C(NCCc1ccccc1)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 ZINC000225462702 568640252 /nfs/dbraw/zinc/64/02/52/568640252.db2.gz OLXVKIQJLUFWGQ-UHFFFAOYSA-N 0 0 409.942 5.121 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000225462939 568640161 /nfs/dbraw/zinc/64/01/61/568640161.db2.gz ISEXCBWMZXQDJA-OAHLLOKOSA-N 0 0 409.942 5.640 40 0 HKABRN C[C@H](NC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000225462982 568640219 /nfs/dbraw/zinc/64/02/19/568640219.db2.gz ISEXCBWMZXQDJA-HNNXBMFYSA-N 0 0 409.942 5.640 40 0 HKABRN COc1ccc([C@@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000225463780 568640485 /nfs/dbraw/zinc/64/04/85/568640485.db2.gz VXSDYGPAMDHBHY-QGZVFWFLSA-N 0 0 408.592 6.035 40 0 HKABRN COc1ccc([C@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000225463821 568640511 /nfs/dbraw/zinc/64/05/11/568640511.db2.gz VXSDYGPAMDHBHY-KRWDZBQOSA-N 0 0 408.592 6.035 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)Nc3ccc(Cl)cc3)c2)cc1 ZINC000225464539 568640481 /nfs/dbraw/zinc/64/04/81/568640481.db2.gz HVQPBRKHGSWPIG-UHFFFAOYSA-N 0 0 422.981 6.677 40 0 HKABRN COc1ccccc1Oc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)cc1 ZINC000225465700 568640491 /nfs/dbraw/zinc/64/04/91/568640491.db2.gz DMLBAUASQBBOFA-UHFFFAOYSA-N 0 0 419.333 6.603 40 0 HKABRN COc1cccc(Oc2ccc(Cl)cc2NC(=S)Nc2ccc(Cl)cc2)c1 ZINC000225465925 568640394 /nfs/dbraw/zinc/64/03/94/568640394.db2.gz RBKMRNOUAACSDH-UHFFFAOYSA-N 0 0 419.333 6.603 40 0 HKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=S)Nc2ccc(Cl)cc2)cc1 ZINC000225465976 568640421 /nfs/dbraw/zinc/64/04/21/568640421.db2.gz BOPPLFBSBOQSRU-UHFFFAOYSA-N 0 0 419.333 6.603 40 0 HKABRN CC(C)(C)c1ccc(-c2noc(CNC(=S)Nc3ccc(Cl)cc3)n2)cc1 ZINC000225466453 568640444 /nfs/dbraw/zinc/64/04/44/568640444.db2.gz BNJPNPIJERXMNR-UHFFFAOYSA-N 0 0 400.935 5.174 40 0 HKABRN CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=S)Nc1ccc(Cl)cc1 ZINC000225466500 568640439 /nfs/dbraw/zinc/64/04/39/568640439.db2.gz YQLLXNVAMUYGRU-UHFFFAOYSA-N 0 0 414.962 5.516 40 0 HKABRN COc1ccc(OC)c([C@@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 ZINC000225475427 568641211 /nfs/dbraw/zinc/64/12/11/568641211.db2.gz KABHWQQEZPBKLN-HRKXOBMBSA-N 0 0 421.924 5.775 40 0 HKABRN COc1ccc(OC)c([C@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 ZINC000225475465 568641297 /nfs/dbraw/zinc/64/12/97/568641297.db2.gz KABHWQQEZPBKLN-HINJULBWSA-N 0 0 421.924 5.775 40 0 HKABRN Cc1ccc([C@@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)c(C)c1 ZINC000225476055 568641362 /nfs/dbraw/zinc/64/13/62/568641362.db2.gz GKDVQSHYDOZIAB-LJQANCHMSA-N 0 0 406.620 6.643 40 0 HKABRN Cc1ccc([C@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)c(C)c1 ZINC000225476091 568641264 /nfs/dbraw/zinc/64/12/64/568641264.db2.gz GKDVQSHYDOZIAB-IBGZPJMESA-N 0 0 406.620 6.643 40 0 HKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1cccc(C(F)(F)F)c1 ZINC000225478208 568641519 /nfs/dbraw/zinc/64/15/19/568641519.db2.gz OOIKXEYUVIRBJK-UHFFFAOYSA-N 0 0 408.272 5.562 40 0 HKABRN CCc1ccc(CC)c(CNC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000225480410 568641559 /nfs/dbraw/zinc/64/15/59/568641559.db2.gz PSKDPRGAPCBHBJ-UHFFFAOYSA-N 0 0 407.941 5.974 40 0 HKABRN CC[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(C)cc1 ZINC000225483427 568641723 /nfs/dbraw/zinc/64/17/23/568641723.db2.gz WNMMZBDDTDFJOX-HSZRJFAPSA-N 0 0 406.620 6.725 40 0 HKABRN CC[C@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(C)cc1 ZINC000225483461 568641735 /nfs/dbraw/zinc/64/17/35/568641735.db2.gz WNMMZBDDTDFJOX-QHCPKHFHSA-N 0 0 406.620 6.725 40 0 HKABRN O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000225484161 568641863 /nfs/dbraw/zinc/64/18/63/568641863.db2.gz DEKVMWBAJKGTMB-UHFFFAOYSA-N 0 0 421.909 5.690 40 0 HKABRN CCn1c2ccccc2c2cc(NS(=O)(=O)c3c(C)cc(OC)cc3C)ccc21 ZINC000225484356 568641765 /nfs/dbraw/zinc/64/17/65/568641765.db2.gz KAKXABDROQZQGG-UHFFFAOYSA-N 0 0 408.523 5.241 40 0 HKABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225485277 568641727 /nfs/dbraw/zinc/64/17/27/568641727.db2.gz JDXLCASORSLUEE-PXDATVDWSA-N 0 0 422.613 5.465 40 0 HKABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225485312 568641815 /nfs/dbraw/zinc/64/18/15/568641815.db2.gz JDXLCASORSLUEE-SQJMNOBHSA-N 0 0 422.613 5.465 40 0 HKABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225485339 568641779 /nfs/dbraw/zinc/64/17/79/568641779.db2.gz JDXLCASORSLUEE-BWKNWUBXSA-N 0 0 422.613 5.465 40 0 HKABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225485374 568641751 /nfs/dbraw/zinc/64/17/51/568641751.db2.gz JDXLCASORSLUEE-OFVILXPXSA-N 0 0 422.613 5.465 40 0 HKABRN CC[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(OC)cc1 ZINC000225487542 568642044 /nfs/dbraw/zinc/64/20/44/568642044.db2.gz JTEZPJKTVLQJCI-MRXNPFEDSA-N 0 0 402.869 5.805 40 0 HKABRN CC[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(OC)cc1 ZINC000225487575 568642023 /nfs/dbraw/zinc/64/20/23/568642023.db2.gz JTEZPJKTVLQJCI-INIZCTEOSA-N 0 0 402.869 5.805 40 0 HKABRN CC[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(OC)cc1 ZINC000225487710 568642056 /nfs/dbraw/zinc/64/20/56/568642056.db2.gz GZVKZHZPZOBGMC-HSZRJFAPSA-N 0 0 422.619 6.425 40 0 HKABRN CC[C@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(OC)cc1 ZINC000225487742 568642046 /nfs/dbraw/zinc/64/20/46/568642046.db2.gz GZVKZHZPZOBGMC-QHCPKHFHSA-N 0 0 422.619 6.425 40 0 HKABRN Cc1ccccc1CN(C(=O)CCc1ccc(C(C)(C)C)cc1)[C@@H](C)C(=O)NC(C)C ZINC000225488282 568642314 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CC(C)C[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000225493076 568642865 /nfs/dbraw/zinc/64/28/65/568642865.db2.gz XLHOUIMTFLJAIH-QGZVFWFLSA-N 0 0 400.897 6.433 40 0 HKABRN CC(C)C[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000225493102 568642867 /nfs/dbraw/zinc/64/28/67/568642867.db2.gz XLHOUIMTFLJAIH-KRWDZBQOSA-N 0 0 400.897 6.433 40 0 HKABRN CC(C)C[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccccc1 ZINC000225493215 568642873 /nfs/dbraw/zinc/64/28/73/568642873.db2.gz IAPUHYKNYVUPAQ-XMMPIXPASA-N 0 0 420.647 7.053 40 0 HKABRN CC(C)C[C@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccccc1 ZINC000225493249 568642796 /nfs/dbraw/zinc/64/27/96/568642796.db2.gz IAPUHYKNYVUPAQ-DEOSSOPVSA-N 0 0 420.647 7.053 40 0 HKABRN CC(C)C[C@@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccccc1 ZINC000225493791 568643119 /nfs/dbraw/zinc/64/31/19/568643119.db2.gz YAQGUNYSIPAJDH-QGZVFWFLSA-N 0 0 411.796 6.176 40 0 HKABRN CC(C)C[C@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccccc1 ZINC000225493827 568643143 /nfs/dbraw/zinc/64/31/43/568643143.db2.gz YAQGUNYSIPAJDH-KRWDZBQOSA-N 0 0 411.796 6.176 40 0 HKABRN Cc1ccccc1CN(C(=O)CCc1cccc2ccccc21)[C@@H](C)C(=O)NC(C)C ZINC000225494231 568643113 /nfs/dbraw/zinc/64/31/13/568643113.db2.gz KCXCWVCXKZZQBB-NRFANRHFSA-N 0 0 416.565 5.023 40 0 HKABRN Cc1ccccc1CN(C(=O)CCc1cccc2ccccc21)[C@H](C)C(=O)NC(C)C ZINC000225494263 568643081 /nfs/dbraw/zinc/64/30/81/568643081.db2.gz KCXCWVCXKZZQBB-OAQYLSRUSA-N 0 0 416.565 5.023 40 0 HKABRN Nc1ccc(Nc2cc(Cl)ccc2Oc2ccccc2)c(C(=O)N2CCCC2)c1 ZINC000225494733 568643092 /nfs/dbraw/zinc/64/30/92/568643092.db2.gz VCVJWCQPIZZSCJ-UHFFFAOYSA-N 0 0 407.901 5.694 40 0 HKABRN CCOC(=O)c1cc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)ccc1Cl ZINC000225494915 568643083 /nfs/dbraw/zinc/64/30/83/568643083.db2.gz VQZMFORFRYESHS-IBGZPJMESA-N 0 0 404.963 5.591 40 0 HKABRN CCOC(=O)c1cc(NC(=S)N[C@H](CC(C)C)c2ccccc2)ccc1Cl ZINC000225494953 568643088 /nfs/dbraw/zinc/64/30/88/568643088.db2.gz VQZMFORFRYESHS-LJQANCHMSA-N 0 0 404.963 5.591 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)cc1Cl ZINC000225494997 568643098 /nfs/dbraw/zinc/64/30/98/568643098.db2.gz GMQMFJCNIUMEOU-IBGZPJMESA-N 0 0 404.963 5.591 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@H](CC(C)C)c2ccccc2)cc1Cl ZINC000225495029 568643358 /nfs/dbraw/zinc/64/33/58/568643358.db2.gz GMQMFJCNIUMEOU-LJQANCHMSA-N 0 0 404.963 5.591 40 0 HKABRN Cc1ccc(C)c(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000225495706 568643346 /nfs/dbraw/zinc/64/33/46/568643346.db2.gz SSUDINORDZUVOC-UHFFFAOYSA-N 0 0 400.522 6.106 40 0 HKABRN CC(C)C[C@@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 ZINC000225495707 568643359 /nfs/dbraw/zinc/64/33/59/568643359.db2.gz FIVQEGRMTHHPLE-JOCHJYFZSA-N 0 0 409.599 5.387 40 0 HKABRN CC(C)C[C@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 ZINC000225495740 568643266 /nfs/dbraw/zinc/64/32/66/568643266.db2.gz FIVQEGRMTHHPLE-QFIPXVFZSA-N 0 0 409.599 5.387 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=S)Nc2cccc(Br)c2)cc1 ZINC000225497378 568643523 /nfs/dbraw/zinc/64/35/23/568643523.db2.gz XNMWGAHKXMPISZ-GOSISDBHSA-N 0 0 407.377 5.532 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=S)Nc2cccc(Br)c2)cc1 ZINC000225497414 568643562 /nfs/dbraw/zinc/64/35/62/568643562.db2.gz XNMWGAHKXMPISZ-SFHVURJKSA-N 0 0 407.377 5.532 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(Br)cc2)cc1 ZINC000225497457 568643497 /nfs/dbraw/zinc/64/34/97/568643497.db2.gz YJXOEJCUPIFSCE-GOSISDBHSA-N 0 0 407.377 5.532 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(Br)cc2)cc1 ZINC000225497490 568643578 /nfs/dbraw/zinc/64/35/78/568643578.db2.gz YJXOEJCUPIFSCE-SFHVURJKSA-N 0 0 407.377 5.532 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(Br)c(C)c2)cc1 ZINC000225498629 568643747 /nfs/dbraw/zinc/64/37/47/568643747.db2.gz SZYUHOYCNFZPJX-LJQANCHMSA-N 0 0 421.404 5.840 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(Br)c(C)c2)cc1 ZINC000225498659 568643764 /nfs/dbraw/zinc/64/37/64/568643764.db2.gz SZYUHOYCNFZPJX-IBGZPJMESA-N 0 0 421.404 5.840 40 0 HKABRN COC(=O)c1cc(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)ccc1Cl ZINC000225499772 568643722 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CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)c1 ZINC000225500235 568643727 /nfs/dbraw/zinc/64/37/27/568643727.db2.gz RDJKSILYNKCUMG-NRFANRHFSA-N 0 0 414.571 5.254 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)c1 ZINC000225500261 568643681 /nfs/dbraw/zinc/64/36/81/568643681.db2.gz RDJKSILYNKCUMG-OAQYLSRUSA-N 0 0 414.571 5.254 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)c(C)c1 ZINC000225500315 568643806 /nfs/dbraw/zinc/64/38/06/568643806.db2.gz WYCXCEHOLZHGCJ-NRFANRHFSA-N 0 0 414.571 5.254 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)c(C)c1 ZINC000225500351 568643676 /nfs/dbraw/zinc/64/36/76/568643676.db2.gz WYCXCEHOLZHGCJ-OAQYLSRUSA-N 0 0 414.571 5.254 40 0 HKABRN COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 ZINC000225501056 568643982 /nfs/dbraw/zinc/64/39/82/568643982.db2.gz BUUTZXUALNFCLJ-HSZRJFAPSA-N 0 0 412.599 6.090 40 0 HKABRN COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 ZINC000225501084 568643909 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409.555 5.326 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000225502252 568643895 /nfs/dbraw/zinc/64/38/95/568643895.db2.gz SVPOINSFPXXOEO-GOTSBHOMSA-N 0 0 423.553 5.150 40 0 HKABRN Cc1ccccc1[C@@H](NC(=S)Nc1cccc(Br)c1)c1ccccc1 ZINC000225503095 568643978 /nfs/dbraw/zinc/64/39/78/568643978.db2.gz DZQJREHJJRSGTM-FQEVSTJZSA-N 0 0 411.368 5.834 40 0 HKABRN Cc1ccccc1[C@H](NC(=S)Nc1cccc(Br)c1)c1ccccc1 ZINC000225503128 568643886 /nfs/dbraw/zinc/64/38/86/568643886.db2.gz DZQJREHJJRSGTM-HXUWFJFHSA-N 0 0 411.368 5.834 40 0 HKABRN Cc1ccccc1[C@@H](NC(=S)Nc1ccc(Br)cc1)c1ccccc1 ZINC000225503166 568643970 /nfs/dbraw/zinc/64/39/70/568643970.db2.gz NZRPIYCTHPXSAW-FQEVSTJZSA-N 0 0 411.368 5.834 40 0 HKABRN Cc1ccccc1[C@H](NC(=S)Nc1ccc(Br)cc1)c1ccccc1 ZINC000225503202 568643929 /nfs/dbraw/zinc/64/39/29/568643929.db2.gz NZRPIYCTHPXSAW-HXUWFJFHSA-N 0 0 411.368 5.834 40 0 HKABRN Cc1ccccc1[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000225503651 568644211 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COC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c1C ZINC000225505206 568644403 /nfs/dbraw/zinc/64/44/03/568644403.db2.gz DEYMIQUOVCRUBG-JOCHJYFZSA-N 0 0 404.535 5.166 40 0 HKABRN Cc1ccccc1[C@@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000225505255 568644426 /nfs/dbraw/zinc/64/44/26/568644426.db2.gz PEHOTFKCRWCXOO-FQEVSTJZSA-N 0 0 400.469 6.090 40 0 HKABRN Cc1ccccc1[C@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000225505282 568644385 /nfs/dbraw/zinc/64/43/85/568644385.db2.gz PEHOTFKCRWCXOO-HXUWFJFHSA-N 0 0 400.469 6.090 40 0 HKABRN COC(C)(C)CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1Cl ZINC000225505496 568644420 /nfs/dbraw/zinc/64/44/20/568644420.db2.gz ZVMIONPBZIIXFZ-UHFFFAOYSA-N 0 0 415.961 5.984 40 0 HKABRN COC(=O)c1cc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)ccc1Cl ZINC000225505644 568644442 /nfs/dbraw/zinc/64/44/42/568644442.db2.gz WXCSSKQAYJQCNI-NRFANRHFSA-N 0 0 424.953 5.511 40 0 HKABRN COC(=O)c1cc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)ccc1Cl ZINC000225505679 568644424 /nfs/dbraw/zinc/64/44/24/568644424.db2.gz WXCSSKQAYJQCNI-OAQYLSRUSA-N 0 0 424.953 5.511 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c1 ZINC000225505725 568644407 /nfs/dbraw/zinc/64/44/07/568644407.db2.gz LEEZEOIDYLMSKY-NRFANRHFSA-N 0 0 424.953 5.511 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c1 ZINC000225505753 568644456 /nfs/dbraw/zinc/64/44/56/568644456.db2.gz LEEZEOIDYLMSKY-OAQYLSRUSA-N 0 0 424.953 5.511 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c1 ZINC000225505960 568644381 /nfs/dbraw/zinc/64/43/81/568644381.db2.gz CDIUSAWPIRVUML-QFIPXVFZSA-N 0 0 404.535 5.248 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c1 ZINC000225505995 568644413 /nfs/dbraw/zinc/64/44/13/568644413.db2.gz CDIUSAWPIRVUML-JOCHJYFZSA-N 0 0 404.535 5.248 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c1C ZINC000225506043 568644451 /nfs/dbraw/zinc/64/44/51/568644451.db2.gz FEGJFYFYNWGUAW-QHCPKHFHSA-N 0 0 418.562 5.556 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c1C ZINC000225506082 568644387 /nfs/dbraw/zinc/64/43/87/568644387.db2.gz FEGJFYFYNWGUAW-HSZRJFAPSA-N 0 0 418.562 5.556 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c1 ZINC000225506122 568644432 /nfs/dbraw/zinc/64/44/32/568644432.db2.gz XTGPPFJNXBMJKF-QHCPKHFHSA-N 0 0 418.562 5.556 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c1 ZINC000225506158 568644415 /nfs/dbraw/zinc/64/44/15/568644415.db2.gz XTGPPFJNXBMJKF-HSZRJFAPSA-N 0 0 418.562 5.556 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c(C)c1 ZINC000225506208 568644411 /nfs/dbraw/zinc/64/44/11/568644411.db2.gz CLYHCXFVXJZEHR-QHCPKHFHSA-N 0 0 418.562 5.556 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c(C)c1 ZINC000225506240 568644427 /nfs/dbraw/zinc/64/44/27/568644427.db2.gz CLYHCXFVXJZEHR-HSZRJFAPSA-N 0 0 418.562 5.556 40 0 HKABRN Cc1ccccc1[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000225506293 568644448 /nfs/dbraw/zinc/64/44/48/568644448.db2.gz KDZYJYPCFPSUMK-DEOSSOPVSA-N 0 0 415.562 5.198 40 0 HKABRN Cc1ccccc1[C@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000225506328 568644400 /nfs/dbraw/zinc/64/44/00/568644400.db2.gz KDZYJYPCFPSUMK-XMMPIXPASA-N 0 0 415.562 5.198 40 0 HKABRN Cc1ccccc1[C@@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccccc1 ZINC000225506944 568644389 /nfs/dbraw/zinc/64/43/89/568644389.db2.gz WTNBEXYTODPDED-VWLOTQADSA-N 0 0 416.590 6.392 40 0 HKABRN Cc1ccccc1[C@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccccc1 ZINC000225506981 568644396 /nfs/dbraw/zinc/64/43/96/568644396.db2.gz WTNBEXYTODPDED-RUZDIDTESA-N 0 0 416.590 6.392 40 0 HKABRN Cc1ccccc1[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000225507189 568644446 /nfs/dbraw/zinc/64/44/46/568644446.db2.gz PHCRCUCABVWTRM-DEOSSOPVSA-N 0 0 415.562 5.198 40 0 HKABRN Cc1ccccc1[C@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000225507227 568644623 /nfs/dbraw/zinc/64/46/23/568644623.db2.gz PHCRCUCABVWTRM-XMMPIXPASA-N 0 0 415.562 5.198 40 0 HKABRN Cc1cccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225507523 568644670 /nfs/dbraw/zinc/64/46/70/568644670.db2.gz HARKZBDVLPKYGM-NRFANRHFSA-N 0 0 422.613 5.167 40 0 HKABRN Cc1cccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC(C)C)c1 ZINC000225507560 568644627 /nfs/dbraw/zinc/64/46/27/568644627.db2.gz HARKZBDVLPKYGM-OAQYLSRUSA-N 0 0 422.613 5.167 40 0 HKABRN COc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c2cccnc12 ZINC000225508115 568644613 /nfs/dbraw/zinc/64/46/13/568644613.db2.gz HFOXKZPSVIKUGH-QHCPKHFHSA-N 0 0 413.546 5.628 40 0 HKABRN COc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c2cccnc12 ZINC000225508153 568644678 /nfs/dbraw/zinc/64/46/78/568644678.db2.gz HFOXKZPSVIKUGH-HSZRJFAPSA-N 0 0 413.546 5.628 40 0 HKABRN Cc1ccc([C@@H](NC(=S)Nc2cccc(Br)c2)c2ccccc2)cc1 ZINC000225508624 568644679 /nfs/dbraw/zinc/64/46/79/568644679.db2.gz VAJHEMYABBHWQL-FQEVSTJZSA-N 0 0 411.368 5.834 40 0 HKABRN Cc1ccc([C@H](NC(=S)Nc2cccc(Br)c2)c2ccccc2)cc1 ZINC000225508661 568644651 /nfs/dbraw/zinc/64/46/51/568644651.db2.gz VAJHEMYABBHWQL-HXUWFJFHSA-N 0 0 411.368 5.834 40 0 HKABRN Cc1ccc([C@@H](NC(=S)Nc2ccc(Br)cc2)c2ccccc2)cc1 ZINC000225508703 568644641 /nfs/dbraw/zinc/64/46/41/568644641.db2.gz KIQLIPXOBCZCCJ-FQEVSTJZSA-N 0 0 411.368 5.834 40 0 HKABRN Cc1ccc([C@H](NC(=S)Nc2ccc(Br)cc2)c2ccccc2)cc1 ZINC000225508742 568644673 /nfs/dbraw/zinc/64/46/73/568644673.db2.gz KIQLIPXOBCZCCJ-HXUWFJFHSA-N 0 0 411.368 5.834 40 0 HKABRN Cc1ccc([C@@H](NC(=S)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 ZINC000225509024 568644609 /nfs/dbraw/zinc/64/46/09/568644609.db2.gz RKPUTIPBDWFHQA-FQEVSTJZSA-N 0 0 400.469 6.090 40 0 HKABRN Cc1ccc([C@H](NC(=S)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 ZINC000225509062 568644598 /nfs/dbraw/zinc/64/45/98/568644598.db2.gz RKPUTIPBDWFHQA-HXUWFJFHSA-N 0 0 400.469 6.090 40 0 HKABRN COC(=O)c1ccc(C)c(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000225509895 568644860 /nfs/dbraw/zinc/64/48/60/568644860.db2.gz DZOIBPPYHUHNCY-QFIPXVFZSA-N 0 0 404.535 5.166 40 0 HKABRN COC(=O)c1ccc(C)c(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000225509927 568644922 /nfs/dbraw/zinc/64/49/22/568644922.db2.gz DZOIBPPYHUHNCY-JOCHJYFZSA-N 0 0 404.535 5.166 40 0 HKABRN COC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1C ZINC000225510159 568644873 /nfs/dbraw/zinc/64/48/73/568644873.db2.gz IJBDCUHGGXBFEH-QFIPXVFZSA-N 0 0 404.535 5.166 40 0 HKABRN COC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)c1C ZINC000225510195 568644890 /nfs/dbraw/zinc/64/48/90/568644890.db2.gz IJBDCUHGGXBFEH-JOCHJYFZSA-N 0 0 404.535 5.166 40 0 HKABRN Cc1ccc([C@@H](NC(=S)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000225510247 568644832 /nfs/dbraw/zinc/64/48/32/568644832.db2.gz DCOIAQJCHCUMNX-FQEVSTJZSA-N 0 0 400.469 6.090 40 0 HKABRN Cc1ccc([C@H](NC(=S)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000225510283 568644807 /nfs/dbraw/zinc/64/48/07/568644807.db2.gz DCOIAQJCHCUMNX-HXUWFJFHSA-N 0 0 400.469 6.090 40 0 HKABRN COC(=O)c1cc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)ccc1Cl ZINC000225510662 568645095 /nfs/dbraw/zinc/64/50/95/568645095.db2.gz SKPBSQBNMTVVMC-NRFANRHFSA-N 0 0 424.953 5.511 40 0 HKABRN COC(=O)c1cc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)ccc1Cl ZINC000225510692 568645050 /nfs/dbraw/zinc/64/50/50/568645050.db2.gz SKPBSQBNMTVVMC-OAQYLSRUSA-N 0 0 424.953 5.511 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000225510744 568645026 /nfs/dbraw/zinc/64/50/26/568645026.db2.gz YNYWPYXEBDMJKH-NRFANRHFSA-N 0 0 424.953 5.511 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000225510774 568645108 /nfs/dbraw/zinc/64/51/08/568645108.db2.gz YNYWPYXEBDMJKH-OAQYLSRUSA-N 0 0 424.953 5.511 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000225510992 568644980 /nfs/dbraw/zinc/64/49/80/568644980.db2.gz NTUZTUFGPPSJQQ-QFIPXVFZSA-N 0 0 404.535 5.248 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000225511021 568645116 /nfs/dbraw/zinc/64/51/16/568645116.db2.gz NTUZTUFGPPSJQQ-JOCHJYFZSA-N 0 0 404.535 5.248 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1C ZINC000225511068 568645119 /nfs/dbraw/zinc/64/51/19/568645119.db2.gz XHRSAUFDMAOTHR-QHCPKHFHSA-N 0 0 418.562 5.556 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)c1C ZINC000225511103 568645089 /nfs/dbraw/zinc/64/50/89/568645089.db2.gz XHRSAUFDMAOTHR-HSZRJFAPSA-N 0 0 418.562 5.556 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000225511152 568645135 /nfs/dbraw/zinc/64/51/35/568645135.db2.gz CPQCEDNTPPYNOB-QHCPKHFHSA-N 0 0 418.562 5.556 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000225511187 568645141 /nfs/dbraw/zinc/64/51/41/568645141.db2.gz CPQCEDNTPPYNOB-HSZRJFAPSA-N 0 0 418.562 5.556 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)c(C)c1 ZINC000225511236 568645009 /nfs/dbraw/zinc/64/50/09/568645009.db2.gz XZACFJAYPBCNBO-QHCPKHFHSA-N 0 0 418.562 5.556 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)c(C)c1 ZINC000225511270 568645152 /nfs/dbraw/zinc/64/51/52/568645152.db2.gz XZACFJAYPBCNBO-HSZRJFAPSA-N 0 0 418.562 5.556 40 0 HKABRN Cc1ccc([C@@H](NC(=S)Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 ZINC000225511316 568645150 /nfs/dbraw/zinc/64/51/50/568645150.db2.gz GFCRNJSTDDYRHZ-DEOSSOPVSA-N 0 0 415.562 5.198 40 0 HKABRN Cc1ccc([C@H](NC(=S)Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 ZINC000225511347 568645137 /nfs/dbraw/zinc/64/51/37/568645137.db2.gz GFCRNJSTDDYRHZ-XMMPIXPASA-N 0 0 415.562 5.198 40 0 HKABRN Cc1cccc(C2(C(=O)Nc3cc(C)c(OCc4ccccc4)c(C)c3)CCCC2)c1 ZINC000225511444 568645016 /nfs/dbraw/zinc/64/50/16/568645016.db2.gz BCCCNDYKCAFRCS-UHFFFAOYSA-N 0 0 413.561 6.641 40 0 HKABRN COC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1Cl ZINC000225511534 568645098 /nfs/dbraw/zinc/64/50/98/568645098.db2.gz ICWHCKSTWBFFGG-QGZVFWFLSA-N 0 0 401.934 5.513 40 0 HKABRN COC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1Cl ZINC000225511573 568645147 /nfs/dbraw/zinc/64/51/47/568645147.db2.gz ICWHCKSTWBFFGG-KRWDZBQOSA-N 0 0 401.934 5.513 40 0 HKABRN Cc1ccc([C@@H](NC(=S)Nc2ccc(OC3CCCC3)cc2)c2ccccc2)cc1 ZINC000225511960 568645187 /nfs/dbraw/zinc/64/51/87/568645187.db2.gz SAUXSHMCJQWYLB-VWLOTQADSA-N 0 0 416.590 6.392 40 0 HKABRN Cc1ccc([C@H](NC(=S)Nc2ccc(OC3CCCC3)cc2)c2ccccc2)cc1 ZINC000225511992 568645292 /nfs/dbraw/zinc/64/52/92/568645292.db2.gz SAUXSHMCJQWYLB-RUZDIDTESA-N 0 0 416.590 6.392 40 0 HKABRN Cc1ccc([C@@H](NC(=S)Nc2cccc(N3CCCC3=O)c2)c2ccccc2)cc1 ZINC000225512197 568645352 /nfs/dbraw/zinc/64/53/52/568645352.db2.gz YXVXYNLCEFYXSG-DEOSSOPVSA-N 0 0 415.562 5.198 40 0 HKABRN Cc1ccc([C@H](NC(=S)Nc2cccc(N3CCCC3=O)c2)c2ccccc2)cc1 ZINC000225512230 568645171 /nfs/dbraw/zinc/64/51/71/568645171.db2.gz YXVXYNLCEFYXSG-XMMPIXPASA-N 0 0 415.562 5.198 40 0 HKABRN O=C(NCCc1ccccc1)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000225512675 568645264 /nfs/dbraw/zinc/64/52/64/568645264.db2.gz YAIKCQGDJVLXFO-UHFFFAOYSA-N 0 0 412.533 5.110 40 0 HKABRN COc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)c2cccnc12 ZINC000225513094 568645412 /nfs/dbraw/zinc/64/54/12/568645412.db2.gz IMBDTFULBBAYRZ-QHCPKHFHSA-N 0 0 413.546 5.628 40 0 HKABRN COc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)c2cccnc12 ZINC000225513127 568645452 /nfs/dbraw/zinc/64/54/52/568645452.db2.gz IMBDTFULBBAYRZ-HSZRJFAPSA-N 0 0 413.546 5.628 40 0 HKABRN Cc1cccc(CN(C(=O)CCc2cccc3ccccc32)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225513578 568645516 /nfs/dbraw/zinc/64/55/16/568645516.db2.gz LUFMHIPLMDLHPB-NRFANRHFSA-N 0 0 416.565 5.023 40 0 HKABRN Cc1cccc(CN(C(=O)CCc2cccc3ccccc32)[C@H](C)C(=O)NC(C)C)c1 ZINC000225513608 568645409 /nfs/dbraw/zinc/64/54/09/568645409.db2.gz LUFMHIPLMDLHPB-OAQYLSRUSA-N 0 0 416.565 5.023 40 0 HKABRN C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(CSc2ccccc2)cc1 ZINC000225513662 568645432 /nfs/dbraw/zinc/64/54/32/568645432.db2.gz NRCHPVBHEFICKR-IBGZPJMESA-N 0 0 406.620 6.287 40 0 HKABRN C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(CSc2ccccc2)cc1 ZINC000225513693 568645542 /nfs/dbraw/zinc/64/55/42/568645542.db2.gz NRCHPVBHEFICKR-LJQANCHMSA-N 0 0 406.620 6.287 40 0 HKABRN Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 ZINC000225514184 568645520 /nfs/dbraw/zinc/64/55/20/568645520.db2.gz ZPEFPUZTXUFQNU-UHFFFAOYSA-N 0 0 421.512 5.532 40 0 HKABRN Cc1ccc(C2(C(=O)Nc3cc(C)c(OCc4ccccc4)c(C)c3)CCCC2)cc1 ZINC000225514505 568645534 /nfs/dbraw/zinc/64/55/34/568645534.db2.gz AJHIINUZTTWOOJ-UHFFFAOYSA-N 0 0 413.561 6.641 40 0 HKABRN COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1Cl ZINC000225514616 568645441 /nfs/dbraw/zinc/64/54/41/568645441.db2.gz NOVPFXXKWKRRGE-QGZVFWFLSA-N 0 0 401.934 5.513 40 0 HKABRN COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1Cl ZINC000225514653 568645724 /nfs/dbraw/zinc/64/57/24/568645724.db2.gz NOVPFXXKWKRRGE-KRWDZBQOSA-N 0 0 401.934 5.513 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)CSCc2c(F)cccc2Cl)c2ccccc2O1 ZINC000225515721 568645799 /nfs/dbraw/zinc/64/57/99/568645799.db2.gz MHHFIQAQOWRUPH-LJQANCHMSA-N 0 0 421.965 5.911 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)CSCc2c(F)cccc2Cl)c2ccccc2O1 ZINC000225515753 568645692 /nfs/dbraw/zinc/64/56/92/568645692.db2.gz MHHFIQAQOWRUPH-IBGZPJMESA-N 0 0 421.965 5.911 40 0 HKABRN Cc1cc(NC(=O)C2(c3ccccc3F)CCCC2)ccc1OCc1ccccc1 ZINC000225517889 568645980 /nfs/dbraw/zinc/64/59/80/568645980.db2.gz GAVDRCVBZQEKBT-UHFFFAOYSA-N 0 0 403.497 6.164 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NC3CCCCCCC3)c2)cc1 ZINC000225517905 568645883 /nfs/dbraw/zinc/64/58/83/568645883.db2.gz OOKXHJIXZPNNBY-UHFFFAOYSA-N 0 0 422.638 6.614 40 0 HKABRN COc1ccccc1[C@@H](C)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000225518043 568645924 /nfs/dbraw/zinc/64/59/24/568645924.db2.gz PXOAQIWFOALMJB-OAHLLOKOSA-N 0 0 421.368 5.091 40 0 HKABRN COc1ccccc1[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000225518078 568645994 /nfs/dbraw/zinc/64/59/94/568645994.db2.gz PXOAQIWFOALMJB-HNNXBMFYSA-N 0 0 421.368 5.091 40 0 HKABRN Cc1cc(NC(=O)C2(c3ccccc3F)CCCC2)cc(C)c1OCc1ccccc1 ZINC000225518335 568645945 /nfs/dbraw/zinc/64/59/45/568645945.db2.gz WBNZBBANCATJPX-UHFFFAOYSA-N 0 0 417.524 6.472 40 0 HKABRN COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1Cl ZINC000225518392 568645967 /nfs/dbraw/zinc/64/59/67/568645967.db2.gz PZXJNDMWQZXMME-OAHLLOKOSA-N 0 0 405.897 5.343 40 0 HKABRN COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1Cl ZINC000225518427 568646057 /nfs/dbraw/zinc/64/60/57/568646057.db2.gz PZXJNDMWQZXMME-HNNXBMFYSA-N 0 0 405.897 5.343 40 0 HKABRN CSc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c1 ZINC000225518569 568645912 /nfs/dbraw/zinc/64/59/12/568645912.db2.gz VJJGRMQKHUMGJY-ZHZULCJRSA-N 0 0 408.548 5.188 40 0 HKABRN Cc1cc(NC(=S)NC(c2ccccc2)c2ccccc2)ccc1Br ZINC000225518730 568646169 /nfs/dbraw/zinc/64/61/69/568646169.db2.gz IMTDCXQVULBTPM-UHFFFAOYSA-N 0 0 411.368 5.834 40 0 HKABRN FC(F)(F)c1cc(NC(=S)NC(c2ccccc2)c2ccccc2)ccc1Cl ZINC000225518777 568646128 /nfs/dbraw/zinc/64/61/28/568646128.db2.gz KIWNHFSTIWKUFY-UHFFFAOYSA-N 0 0 420.887 6.435 40 0 HKABRN Fc1cc(Br)ccc1NC(=S)NC(c1ccccc1)c1ccccc1 ZINC000225519231 568646113 /nfs/dbraw/zinc/64/61/13/568646113.db2.gz AJKPWELINVZALH-UHFFFAOYSA-N 0 0 415.331 5.664 40 0 HKABRN COC(=O)c1cc(NC(=S)NC(c2ccccc2)c2ccccc2)ccc1Cl ZINC000225519279 568646192 /nfs/dbraw/zinc/64/61/92/568646192.db2.gz NTGVLBVFIOEPNW-UHFFFAOYSA-N 0 0 410.926 5.203 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)NC(c2ccccc2)c2ccccc2)c1 ZINC000225519327 568646223 /nfs/dbraw/zinc/64/62/23/568646223.db2.gz LQWXOJVRCXXMIP-UHFFFAOYSA-N 0 0 410.926 5.203 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)NC(c2ccccc2)c2ccccc2)c1C ZINC000225519518 568646132 /nfs/dbraw/zinc/64/61/32/568646132.db2.gz ICHZGFMPGSGJTH-UHFFFAOYSA-N 0 0 404.535 5.248 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=S)NC(c2ccccc2)c2ccccc2)c1 ZINC000225519569 568646131 /nfs/dbraw/zinc/64/61/31/568646131.db2.gz TWJZMCXYHSLJNU-UHFFFAOYSA-N 0 0 404.535 5.248 40 0 HKABRN CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)N[C@@H](C)CC)cc1 ZINC000225519612 568646115 /nfs/dbraw/zinc/64/61/15/568646115.db2.gz VGWPSKWBWMQMOG-OFVILXPXSA-N 0 0 422.613 5.212 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)c(C)c1 ZINC000225519613 568646142 /nfs/dbraw/zinc/64/61/42/568646142.db2.gz JCMDBTIDGKTXGY-UHFFFAOYSA-N 0 0 404.535 5.248 40 0 HKABRN CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)N[C@@H](C)CC)cc1 ZINC000225519646 568646159 /nfs/dbraw/zinc/64/61/59/568646159.db2.gz VGWPSKWBWMQMOG-SQJMNOBHSA-N 0 0 422.613 5.212 40 0 HKABRN CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)N[C@H](C)CC)cc1 ZINC000225519680 568646286 /nfs/dbraw/zinc/64/62/86/568646286.db2.gz VGWPSKWBWMQMOG-BWKNWUBXSA-N 0 0 422.613 5.212 40 0 HKABRN CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)N[C@H](C)CC)cc1 ZINC000225519708 568646137 /nfs/dbraw/zinc/64/61/37/568646137.db2.gz VGWPSKWBWMQMOG-PXDATVDWSA-N 0 0 422.613 5.212 40 0 HKABRN CCOC(=O)c1cc(NC(=S)NC(c2ccccc2)c2ccccc2)ccc1Cl ZINC000225519755 568646272 /nfs/dbraw/zinc/64/62/72/568646272.db2.gz IBBMBYLUZZBFHY-UHFFFAOYSA-N 0 0 424.953 5.593 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1Cl ZINC000225519808 568646162 /nfs/dbraw/zinc/64/61/62/568646162.db2.gz IXQBBUVZOYFYCG-UHFFFAOYSA-N 0 0 424.953 5.593 40 0 HKABRN S=C(Nc1ccc(OC2CCCC2)cc1)NC(c1ccccc1)c1ccccc1 ZINC000225520034 568646172 /nfs/dbraw/zinc/64/61/72/568646172.db2.gz LBTMWIOXQKKNTM-UHFFFAOYSA-N 0 0 402.563 6.084 40 0 HKABRN Cc1cc(NC(=S)NC(c2ccccc2)c2ccccc2)ccc1N1CCCC1=O ZINC000225520080 568646155 /nfs/dbraw/zinc/64/61/55/568646155.db2.gz JIDDVTFSIOHKBT-UHFFFAOYSA-N 0 0 415.562 5.198 40 0 HKABRN Cc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1N1CCCC1=O ZINC000225520132 568646166 /nfs/dbraw/zinc/64/61/66/568646166.db2.gz LELOXNMWAFVSPH-UHFFFAOYSA-N 0 0 415.562 5.198 40 0 HKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)CCc2ccc(C)c(C)c2)cc1 ZINC000225521434 568646366 /nfs/dbraw/zinc/64/63/66/568646366.db2.gz BFFIHQYTYDJSLY-UHFFFAOYSA-N 0 0 409.913 6.329 40 0 HKABRN Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)ccc1OCc1ccccc1 ZINC000225521483 525114226 /nfs/dbraw/zinc/11/42/26/525114226.db2.gz CBAWDLZMRWDHDR-UHFFFAOYSA-N 0 0 403.497 6.164 40 0 HKABRN Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc(C)c1OCc1ccccc1 ZINC000225521898 568646659 /nfs/dbraw/zinc/64/66/59/568646659.db2.gz TURLGUHKKMLEHT-UHFFFAOYSA-N 0 0 417.524 6.472 40 0 HKABRN COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1Cl ZINC000225521997 568646593 /nfs/dbraw/zinc/64/65/93/568646593.db2.gz FDYUAXGLTHHYSM-OAHLLOKOSA-N 0 0 405.897 5.343 40 0 HKABRN COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1Cl ZINC000225522036 568646603 /nfs/dbraw/zinc/64/66/03/568646603.db2.gz FDYUAXGLTHHYSM-HNNXBMFYSA-N 0 0 405.897 5.343 40 0 HKABRN CC(C)Oc1cccc(CNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000225523510 568646914 /nfs/dbraw/zinc/64/69/14/568646914.db2.gz PXIHFDZYAKWGLK-UHFFFAOYSA-N 0 0 402.869 5.633 40 0 HKABRN CC(C)Oc1cccc(CNC(=S)Nc2ccc(CSc3ccccc3)cc2)c1 ZINC000225523603 568646885 /nfs/dbraw/zinc/64/68/85/568646885.db2.gz JJYQRGVCLQZKCP-UHFFFAOYSA-N 0 0 422.619 6.253 40 0 HKABRN CC(C)Oc1cccc(CNC(=S)Nc2ccc(Br)c(Cl)c2)c1 ZINC000225523883 568646881 /nfs/dbraw/zinc/64/68/81/568646881.db2.gz ASZRTSLZNFLGIX-UHFFFAOYSA-N 0 0 413.768 5.376 40 0 HKABRN Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1OCc1ccccc1 ZINC000225524333 568646848 /nfs/dbraw/zinc/64/68/48/568646848.db2.gz RSMJGTBICIGMRR-UHFFFAOYSA-N 0 0 419.952 6.678 40 0 HKABRN COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1Cl ZINC000225524841 568647032 /nfs/dbraw/zinc/64/70/32/568647032.db2.gz ZTHDVWPEGMUIHI-OAHLLOKOSA-N 0 0 422.352 5.858 40 0 HKABRN COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1Cl ZINC000225524872 568647063 /nfs/dbraw/zinc/64/70/63/568647063.db2.gz ZTHDVWPEGMUIHI-HNNXBMFYSA-N 0 0 422.352 5.858 40 0 HKABRN COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1Cl ZINC000225524964 568647068 /nfs/dbraw/zinc/64/70/68/568647068.db2.gz QOCYIFZSDQDWFV-UHFFFAOYSA-N 0 0 408.325 5.469 40 0 HKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccccc2Cl)CCCC1 ZINC000225525511 568647066 /nfs/dbraw/zinc/64/70/66/568647066.db2.gz NGNDRQGXLYIZIM-UHFFFAOYSA-N 0 0 405.925 6.370 40 0 HKABRN Cc1cc(NC(=O)C2(c3ccccc3Cl)CCCC2)ccc1OCc1ccccc1 ZINC000225527312 568647568 /nfs/dbraw/zinc/64/75/68/568647568.db2.gz MRXVJVNHLPQMBL-UHFFFAOYSA-N 0 0 419.952 6.678 40 0 HKABRN Cc1ccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225527585 568647475 /nfs/dbraw/zinc/64/74/75/568647475.db2.gz GDZZPTMSZGRRBR-NRFANRHFSA-N 0 0 422.613 5.167 40 0 HKABRN Cc1ccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225527617 568647575 /nfs/dbraw/zinc/64/75/75/568647575.db2.gz GDZZPTMSZGRRBR-OAQYLSRUSA-N 0 0 422.613 5.167 40 0 HKABRN COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1Cl ZINC000225527821 568647436 /nfs/dbraw/zinc/64/74/36/568647436.db2.gz UCNJXGYTPOUYSY-OAHLLOKOSA-N 0 0 422.352 5.858 40 0 HKABRN COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1Cl ZINC000225527850 568647527 /nfs/dbraw/zinc/64/75/27/568647527.db2.gz UCNJXGYTPOUYSY-HNNXBMFYSA-N 0 0 422.352 5.858 40 0 HKABRN COCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1Cl ZINC000225527937 568647487 /nfs/dbraw/zinc/64/74/87/568647487.db2.gz VOFBVBHCQPRPCX-UHFFFAOYSA-N 0 0 408.325 5.469 40 0 HKABRN CCOc1ccc(CNC(=S)Nc2ccc(Br)c(C)c2)cc1OCC ZINC000225528075 568647590 /nfs/dbraw/zinc/64/75/90/568647590.db2.gz YYWHMULWMQSCDR-UHFFFAOYSA-N 0 0 423.376 5.042 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 ZINC000225528226 568647419 /nfs/dbraw/zinc/64/74/19/568647419.db2.gz CSRMRKYVUJVVOL-UHFFFAOYSA-N 0 0 406.353 6.623 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 ZINC000225528270 568647443 /nfs/dbraw/zinc/64/74/43/568647443.db2.gz SYXUSBWASAOIST-OAHLLOKOSA-N 0 0 406.353 6.621 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 ZINC000225528303 568647498 /nfs/dbraw/zinc/64/74/98/568647498.db2.gz SYXUSBWASAOIST-HNNXBMFYSA-N 0 0 406.353 6.621 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 ZINC000225528351 568647587 /nfs/dbraw/zinc/64/75/87/568647587.db2.gz GZCHZYFLPXDZBO-UHFFFAOYSA-N 0 0 406.353 6.479 40 0 HKABRN O=C(Nc1ccc(OC2CCCC2)cc1)C1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000225528388 568647532 /nfs/dbraw/zinc/64/75/32/568647532.db2.gz VXXLGDHADXPMOU-UHFFFAOYSA-N 0 0 418.364 6.765 40 0 HKABRN CCOc1ccc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1OCC ZINC000225529272 568647552 /nfs/dbraw/zinc/64/75/52/568647552.db2.gz ZSUGEQJMAACRLH-UHFFFAOYSA-N 0 0 414.571 5.292 40 0 HKABRN COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 ZINC000225529623 568647746 /nfs/dbraw/zinc/64/77/46/568647746.db2.gz HWZJDWJNRRAAFO-UHFFFAOYSA-N 0 0 408.325 5.469 40 0 HKABRN CCOCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 ZINC000225529647 568647775 /nfs/dbraw/zinc/64/77/75/568647775.db2.gz ODYWTIHBZNUFFB-UHFFFAOYSA-N 0 0 422.352 5.859 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C ZINC000225529739 568647707 /nfs/dbraw/zinc/64/77/07/568647707.db2.gz HWQRZQFWEHLTIK-UHFFFAOYSA-N 0 0 406.353 6.541 40 0 HKABRN Cc1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)ccc1OC(C)C ZINC000225529788 568647814 /nfs/dbraw/zinc/64/78/14/568647814.db2.gz GMLUWSVGPMQXPS-UHFFFAOYSA-N 0 0 406.353 6.540 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C ZINC000225529835 568647766 /nfs/dbraw/zinc/64/77/66/568647766.db2.gz SDZCMXWLKJWYSW-UHFFFAOYSA-N 0 0 420.380 6.931 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C ZINC000225529879 568647742 /nfs/dbraw/zinc/64/77/42/568647742.db2.gz OXAADJUQXMLGJE-MRXNPFEDSA-N 0 0 420.380 6.930 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C ZINC000225529913 568647604 /nfs/dbraw/zinc/64/76/04/568647604.db2.gz OXAADJUQXMLGJE-INIZCTEOSA-N 0 0 420.380 6.930 40 0 HKABRN Cc1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)ccc1OCC(C)C ZINC000225529962 568647759 /nfs/dbraw/zinc/64/77/59/568647759.db2.gz VVOSQWAJMWNUCA-UHFFFAOYSA-N 0 0 420.380 6.787 40 0 HKABRN CCOc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C ZINC000225530118 568647723 /nfs/dbraw/zinc/64/77/23/568647723.db2.gz FETHGRASICJIEJ-UHFFFAOYSA-N 0 0 406.353 6.459 40 0 HKABRN CCCOc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C ZINC000225530170 568647673 /nfs/dbraw/zinc/64/76/73/568647673.db2.gz LGJLWVGQFBJPLC-UHFFFAOYSA-N 0 0 420.380 6.850 40 0 HKABRN Cc1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc(C)c1OC(C)C ZINC000225530219 568647665 /nfs/dbraw/zinc/64/76/65/568647665.db2.gz WAIIAQIOIJZGEF-UHFFFAOYSA-N 0 0 420.380 6.848 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1Cl ZINC000225530660 568647762 /nfs/dbraw/zinc/64/77/62/568647762.db2.gz YAAZZAUFTCRJSX-UHFFFAOYSA-N 0 0 412.744 6.496 40 0 HKABRN COc1cc(CNC(=S)Nc2ccc(Br)c(C)c2)ccc1OC(C)C ZINC000225531011 568647943 /nfs/dbraw/zinc/64/79/43/568647943.db2.gz VYTIHMOKPLFTCH-UHFFFAOYSA-N 0 0 423.376 5.040 40 0 HKABRN COc1ccc(C2(C(=O)Nc3ccc(OCc4ccccc4)cc3)CCCC2)cc1 ZINC000225531020 568647982 /nfs/dbraw/zinc/64/79/82/568647982.db2.gz SSTRQBQSLOJACB-UHFFFAOYSA-N 0 0 401.506 5.725 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 ZINC000225531310 568647909 /nfs/dbraw/zinc/64/79/09/568647909.db2.gz NLWUQURNRYZWPN-HBVBNRCBSA-N 0 0 416.521 5.263 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](CC(C)C)c2ccccc2)c1 ZINC000225531342 568647848 /nfs/dbraw/zinc/64/78/48/568647848.db2.gz NLWUQURNRYZWPN-QHKNXTSZSA-N 0 0 416.521 5.263 40 0 HKABRN COc1cc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)ccc1OC(C)C ZINC000225532166 568647949 /nfs/dbraw/zinc/64/79/49/568647949.db2.gz PYOYWPLYCNVNHV-UHFFFAOYSA-N 0 0 414.571 5.290 40 0 HKABRN COc1ccc(C2(C(=O)Nc3ccc(OCc4ccccc4)c(C)c3)CCCC2)cc1 ZINC000225532591 568647879 /nfs/dbraw/zinc/64/78/79/568647879.db2.gz UOSBTNWMFOOETH-UHFFFAOYSA-N 0 0 415.533 6.033 40 0 HKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(Cl)cc2F)cc1 ZINC000225532714 568648144 /nfs/dbraw/zinc/64/81/44/568648144.db2.gz VJIMXKBMOGZOFN-UHFFFAOYSA-N 0 0 406.240 6.186 40 0 HKABRN Cc1ccc(CN(C(=O)CCc2cccc3ccccc32)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225532996 568648091 /nfs/dbraw/zinc/64/80/91/568648091.db2.gz QBYYKRKTUIWXLX-NRFANRHFSA-N 0 0 416.565 5.023 40 0 HKABRN COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1Cl ZINC000225533021 568648160 /nfs/dbraw/zinc/64/81/60/568648160.db2.gz CDSSQSBAIPCFIZ-MRXNPFEDSA-N 0 0 417.933 5.213 40 0 HKABRN CC(C)c1ccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000225533024 568648158 /nfs/dbraw/zinc/64/81/58/568648158.db2.gz VUMYFXHEPWFZOW-UHFFFAOYSA-N 0 0 408.542 6.015 40 0 HKABRN Cc1ccc(CN(C(=O)CCc2cccc3ccccc32)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225533027 568648087 /nfs/dbraw/zinc/64/80/87/568648087.db2.gz QBYYKRKTUIWXLX-OAQYLSRUSA-N 0 0 416.565 5.023 40 0 HKABRN COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1Cl ZINC000225533053 568648165 /nfs/dbraw/zinc/64/81/65/568648165.db2.gz CDSSQSBAIPCFIZ-INIZCTEOSA-N 0 0 417.933 5.213 40 0 HKABRN Fc1ccc(COc2ccc(CNC(=S)Nc3ccccc3Cl)cc2)cc1 ZINC000225533068 568648142 /nfs/dbraw/zinc/64/81/42/568648142.db2.gz LEYDANXSLURTJP-UHFFFAOYSA-N 0 0 400.906 5.545 40 0 HKABRN Fc1ccc(COc2ccc(CNC(=S)Nc3cccc(Cl)c3)cc2)cc1 ZINC000225533117 568648075 /nfs/dbraw/zinc/64/80/75/568648075.db2.gz MVNKMRBZMWNBIT-UHFFFAOYSA-N 0 0 400.906 5.545 40 0 HKABRN Fc1ccc(COc2ccc(CNC(=S)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000225533159 568648135 /nfs/dbraw/zinc/64/81/35/568648135.db2.gz UXPSZJWINIAHCC-UHFFFAOYSA-N 0 0 400.906 5.545 40 0 HKABRN CCOc1ccccc1NC(=S)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000225533383 568648078 /nfs/dbraw/zinc/64/80/78/568648078.db2.gz DTTORLTUQVSNDV-UHFFFAOYSA-N 0 0 410.514 5.290 40 0 HKABRN CCOc1ccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000225533436 568648180 /nfs/dbraw/zinc/64/81/80/568648180.db2.gz PPOXSXOAVZCQGK-UHFFFAOYSA-N 0 0 410.514 5.290 40 0 HKABRN Cc1ccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1Cl ZINC000225533814 568648105 /nfs/dbraw/zinc/64/81/05/568648105.db2.gz HTQNNDRHQZCICY-UHFFFAOYSA-N 0 0 414.933 5.853 40 0 HKABRN Fc1ccc(COc2ccc(CNC(=S)Nc3ccc(F)c(Cl)c3)cc2)cc1 ZINC000225534163 568648356 /nfs/dbraw/zinc/64/83/56/568648356.db2.gz HCQPDUHNZZHHHP-UHFFFAOYSA-N 0 0 418.896 5.684 40 0 HKABRN Fc1ccc(COc2ccc(CNC(=S)Nc3ccc(F)cc3F)cc2)cc1 ZINC000225534200 568648275 /nfs/dbraw/zinc/64/82/75/568648275.db2.gz OVMYEVSBERDFDJ-UHFFFAOYSA-N 0 0 402.441 5.170 40 0 HKABRN Fc1ccc(COc2ccc(CNC(=S)Nc3c(F)cccc3F)cc2)cc1 ZINC000225534475 568648327 /nfs/dbraw/zinc/64/83/27/568648327.db2.gz YRAWVCUPGKVDPK-UHFFFAOYSA-N 0 0 402.441 5.170 40 0 HKABRN Fc1ccc(COc2ccc(CNC(=S)Nc3ccc(F)c(F)c3)cc2)cc1 ZINC000225534508 568648328 /nfs/dbraw/zinc/64/83/28/568648328.db2.gz GUUOLQQNCMFZJI-UHFFFAOYSA-N 0 0 402.441 5.170 40 0 HKABRN CCOc1cccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 ZINC000225534679 568648278 /nfs/dbraw/zinc/64/82/78/568648278.db2.gz MCTFEQXDJGTNGT-UHFFFAOYSA-N 0 0 410.514 5.290 40 0 HKABRN Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)s2)cc1 ZINC000225534783 568648264 /nfs/dbraw/zinc/64/82/64/568648264.db2.gz GEZZQZVOKBOKNS-CQSZACIVSA-N 0 0 401.919 5.190 40 0 HKABRN Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)s2)cc1 ZINC000225534820 568648284 /nfs/dbraw/zinc/64/82/84/568648284.db2.gz GEZZQZVOKBOKNS-AWEZNQCLSA-N 0 0 401.919 5.190 40 0 HKABRN CC(C)Oc1ccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000225535045 568648279 /nfs/dbraw/zinc/64/82/79/568648279.db2.gz RJMFVTHDYPZGFH-UHFFFAOYSA-N 0 0 424.541 5.679 40 0 HKABRN CC(C)Oc1cccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 ZINC000225535071 568648273 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Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)c1 ZINC000225536317 568648494 /nfs/dbraw/zinc/64/84/94/568648494.db2.gz JWMBGCORALREQE-LJQANCHMSA-N 0 0 406.620 6.643 40 0 HKABRN Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)c1 ZINC000225536351 568648586 /nfs/dbraw/zinc/64/85/86/568648586.db2.gz JWMBGCORALREQE-IBGZPJMESA-N 0 0 406.620 6.643 40 0 HKABRN FC(F)(F)c1cc(NC(=S)NCCCc2ccccc2Cl)ccc1Cl ZINC000225540389 568648947 /nfs/dbraw/zinc/64/89/47/568648947.db2.gz JHOYGZSVZXFJPM-UHFFFAOYSA-N 0 0 407.288 5.931 40 0 HKABRN S=C(NCCCc1ccccc1Cl)Nc1ccc(Br)c(Cl)c1 ZINC000225540864 568648976 /nfs/dbraw/zinc/64/89/76/568648976.db2.gz CEZGNICMPVNLJR-UHFFFAOYSA-N 0 0 418.187 5.675 40 0 HKABRN Cc1cccc(C2(C(=O)Nc3ccc(OCc4ccccc4)c(C)c3)CCCCC2)c1 ZINC000225540956 568648949 /nfs/dbraw/zinc/64/89/49/568648949.db2.gz YFCRUNUDJYEFJB-UHFFFAOYSA-N 0 0 413.561 6.723 40 0 HKABRN Fc1cc(Br)ccc1NC(=S)NCCCc1ccccc1Cl ZINC000225541006 568648983 /nfs/dbraw/zinc/64/89/83/568648983.db2.gz WFIREKRQVNBELL-UHFFFAOYSA-N 0 0 401.732 5.161 40 0 HKABRN CC[C@@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccc(OC)c(C)c1 ZINC000225541456 568649212 /nfs/dbraw/zinc/64/92/12/568649212.db2.gz OMZHGZOLTJQXBF-GOSISDBHSA-N 0 0 420.347 5.029 40 0 HKABRN COC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1Cl ZINC000225541476 568649268 /nfs/dbraw/zinc/64/92/68/568649268.db2.gz UPKDLGYTGWWAOK-GOSISDBHSA-N 0 0 415.961 5.903 40 0 HKABRN CC[C@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccc(OC)c(C)c1 ZINC000225541487 568649291 /nfs/dbraw/zinc/64/92/91/568649291.db2.gz OMZHGZOLTJQXBF-SFHVURJKSA-N 0 0 420.347 5.029 40 0 HKABRN COC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1Cl ZINC000225541504 568649258 /nfs/dbraw/zinc/64/92/58/568649258.db2.gz UPKDLGYTGWWAOK-SFHVURJKSA-N 0 0 415.961 5.903 40 0 HKABRN CCOC(=O)c1cc(NC(=S)NCCCc2ccccc2Cl)ccc1Cl ZINC000225541537 568649188 /nfs/dbraw/zinc/64/91/88/568649188.db2.gz CSJNZCZZBXJDQJ-UHFFFAOYSA-N 0 0 411.354 5.089 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)NCCCc2ccccc2Cl)cc1Cl ZINC000225541581 568649290 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COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1Cl ZINC000225543868 568649444 /nfs/dbraw/zinc/64/94/44/568649444.db2.gz XRIMJNCUKIPUCO-GOSISDBHSA-N 0 0 415.961 5.903 40 0 HKABRN COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1Cl ZINC000225543894 568649523 /nfs/dbraw/zinc/64/95/23/568649523.db2.gz XRIMJNCUKIPUCO-SFHVURJKSA-N 0 0 415.961 5.903 40 0 HKABRN COCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1Cl ZINC000225543984 568649473 /nfs/dbraw/zinc/64/94/73/568649473.db2.gz RBIPTEJHNHBKFE-UHFFFAOYSA-N 0 0 401.934 5.514 40 0 HKABRN S=C(NCCCc1ccc(Cl)cc1)Nc1ccc(Br)c(Cl)c1 ZINC000225544310 568649464 /nfs/dbraw/zinc/64/94/64/568649464.db2.gz WBOFBHAJZAUQLV-UHFFFAOYSA-N 0 0 418.187 5.675 40 0 HKABRN Fc1cc(Br)ccc1NC(=S)NCCCc1ccc(Cl)cc1 ZINC000225544452 568649484 /nfs/dbraw/zinc/64/94/84/568649484.db2.gz WATXGPYNKADMNK-UHFFFAOYSA-N 0 0 401.732 5.161 40 0 HKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccccc2F)CCCCC1 ZINC000225544491 568649521 /nfs/dbraw/zinc/64/95/21/568649521.db2.gz CNOUHDCDNIXPJZ-UHFFFAOYSA-N 0 0 403.497 6.245 40 0 HKABRN CCOC(=O)c1cc(NC(=S)NCCCc2ccc(Cl)cc2)ccc1Cl ZINC000225544951 568649529 /nfs/dbraw/zinc/64/95/29/568649529.db2.gz CBFZWKZLBPQPNC-UHFFFAOYSA-N 0 0 411.354 5.089 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)NCCCc2ccc(Cl)cc2)cc1Cl ZINC000225545000 568649475 /nfs/dbraw/zinc/64/94/75/568649475.db2.gz ZKPAOYYBAYJGNN-UHFFFAOYSA-N 0 0 411.354 5.089 40 0 HKABRN Cc1cc(NC(=O)C2(c3ccccc3F)CCCCC2)ccc1OCc1ccccc1 ZINC000225546296 568649722 /nfs/dbraw/zinc/64/97/22/568649722.db2.gz KQICEKFHISZJEB-UHFFFAOYSA-N 0 0 417.524 6.554 40 0 HKABRN COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1Cl ZINC000225546820 568649655 /nfs/dbraw/zinc/64/96/55/568649655.db2.gz DZPURXWFTDZERS-MRXNPFEDSA-N 0 0 419.924 5.733 40 0 HKABRN COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1Cl ZINC000225546853 568649736 /nfs/dbraw/zinc/64/97/36/568649736.db2.gz DZPURXWFTDZERS-INIZCTEOSA-N 0 0 419.924 5.733 40 0 HKABRN COCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1Cl ZINC000225546951 568649673 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/nfs/dbraw/zinc/65/64/05/568656405.db2.gz LSGXFPUBKXGBMC-UHFFFAOYSA-N 0 0 414.640 5.926 40 0 HKABRN COc1ccc(NC(=S)NCCCSCc2cccc(C)c2)c2cccnc12 ZINC000225605464 568656357 /nfs/dbraw/zinc/65/63/57/568656357.db2.gz FCTZBPYIIADWFM-UHFFFAOYSA-N 0 0 411.596 5.162 40 0 HKABRN FC(F)(F)c1cccc(NC(=S)NCCCSCc2ccccc2Cl)c1 ZINC000225606244 568656395 /nfs/dbraw/zinc/65/63/95/568656395.db2.gz DZXKIYITEUKBPV-UHFFFAOYSA-N 0 0 418.937 5.969 40 0 HKABRN COc1ccc(NC(=S)NCCCSCc2ccccc2Cl)cc1Cl ZINC000225606582 568656374 /nfs/dbraw/zinc/65/63/74/568656374.db2.gz RPFZKCQVMKPVDN-UHFFFAOYSA-N 0 0 415.411 5.612 40 0 HKABRN COC(=O)c1ccc(C)c(NC(=S)NCCCSCc2ccccc2Cl)c1 ZINC000225606809 568656362 /nfs/dbraw/zinc/65/63/62/568656362.db2.gz OYKKADDYIJETLW-UHFFFAOYSA-N 0 0 423.003 5.045 40 0 HKABRN Fc1ccc(NC(=S)NCCCSCc2ccccc2Cl)cc1Cl ZINC000225606845 568656376 /nfs/dbraw/zinc/65/63/76/568656376.db2.gz ZVHMSPLQSXYNAA-UHFFFAOYSA-N 0 0 403.375 5.742 40 0 HKABRN COC(=O)c1cccc(NC(=S)NCCCSCc2ccccc2Cl)c1C ZINC000225607037 568656381 /nfs/dbraw/zinc/65/63/81/568656381.db2.gz GGVKSEFQSFQLSB-UHFFFAOYSA-N 0 0 423.003 5.045 40 0 HKABRN FC(F)(F)c1ccc(NC(=S)NCCCSCc2ccccc2Cl)cc1 ZINC000225607081 568656356 /nfs/dbraw/zinc/65/63/56/568656356.db2.gz ULHNUWRQQLYQGK-UHFFFAOYSA-N 0 0 418.937 5.969 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)NCCCSCc2ccccc2Cl)c1 ZINC000225607469 568656616 /nfs/dbraw/zinc/65/66/16/568656616.db2.gz AWBMBPZYTKIEHG-UHFFFAOYSA-N 0 0 423.003 5.127 40 0 HKABRN CC(C)Oc1ccc(NC(=S)NCCCSCc2ccccc2Cl)cc1 ZINC000225607784 568656564 /nfs/dbraw/zinc/65/65/64/568656564.db2.gz KLHYCVANNQFWNF-UHFFFAOYSA-N 0 0 409.020 5.737 40 0 HKABRN CC(C)Oc1cccc(NC(=S)NCCCSCc2ccccc2Cl)c1 ZINC000225607825 568656605 /nfs/dbraw/zinc/65/66/05/568656605.db2.gz DMICWKVQOBWSJQ-UHFFFAOYSA-N 0 0 409.020 5.737 40 0 HKABRN COc1ccccc1Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000225608271 568656584 /nfs/dbraw/zinc/65/65/84/568656584.db2.gz YZXDHPHDPSMEFB-UHFFFAOYSA-N 0 0 421.877 5.389 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)CSCc2ccc(Cl)cc2)c2ccccc2O1 ZINC000225608634 568656612 /nfs/dbraw/zinc/65/66/12/568656612.db2.gz XIOOJYRCIQBJMF-LJQANCHMSA-N 0 0 403.975 5.772 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)CSCc2ccc(Cl)cc2)c2ccccc2O1 ZINC000225608657 568656597 /nfs/dbraw/zinc/65/65/97/568656597.db2.gz XIOOJYRCIQBJMF-IBGZPJMESA-N 0 0 403.975 5.772 40 0 HKABRN FC(F)(F)c1cccc(NC(=S)NCCCSCc2ccc(Cl)cc2)c1 ZINC000225609268 568656606 /nfs/dbraw/zinc/65/66/06/568656606.db2.gz ZZQSXMDGUOJCJV-UHFFFAOYSA-N 0 0 418.937 5.969 40 0 HKABRN COc1cccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000225609474 568656600 /nfs/dbraw/zinc/65/66/00/568656600.db2.gz WDCUVGAHWHMRPS-UHFFFAOYSA-N 0 0 421.877 5.389 40 0 HKABRN COc1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)cc1Cl ZINC000225609489 568656613 /nfs/dbraw/zinc/65/66/13/568656613.db2.gz BSWUYUDVJYXGES-UHFFFAOYSA-N 0 0 415.411 5.612 40 0 HKABRN COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000225609501 568656575 /nfs/dbraw/zinc/65/65/75/568656575.db2.gz UOZVGQNGVXNDHB-UHFFFAOYSA-N 0 0 421.877 5.389 40 0 HKABRN COC(=O)c1ccc(C)c(NC(=S)NCCCSCc2ccc(Cl)cc2)c1 ZINC000225609609 568656591 /nfs/dbraw/zinc/65/65/91/568656591.db2.gz NLHMSAQEAKCEPH-UHFFFAOYSA-N 0 0 423.003 5.045 40 0 HKABRN Fc1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)cc1Cl ZINC000225609626 568656595 /nfs/dbraw/zinc/65/65/95/568656595.db2.gz RVMWCNADSIJOQZ-UHFFFAOYSA-N 0 0 403.375 5.742 40 0 HKABRN COC(=O)c1cccc(NC(=S)NCCCSCc2ccc(Cl)cc2)c1C ZINC000225609792 568656610 /nfs/dbraw/zinc/65/66/10/568656610.db2.gz IUNQPARTOCHAOS-UHFFFAOYSA-N 0 0 423.003 5.045 40 0 HKABRN FC(F)(F)c1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)cc1 ZINC000225609810 568656596 /nfs/dbraw/zinc/65/65/96/568656596.db2.gz SYRJRVPKZDJCFM-UHFFFAOYSA-N 0 0 418.937 5.969 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)NCCCSCc2ccc(Cl)cc2)c1 ZINC000225610153 568656804 /nfs/dbraw/zinc/65/68/04/568656804.db2.gz DKVBYJOYCIINLR-UHFFFAOYSA-N 0 0 423.003 5.127 40 0 HKABRN CCc1cccc(C)c1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1 ZINC000225610379 568656828 /nfs/dbraw/zinc/65/68/28/568656828.db2.gz GJSVTQZJUVDKDR-QNGOZBTKSA-N 0 0 420.534 5.037 40 0 HKABRN CC(C)Oc1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)cc1 ZINC000225610452 568656778 /nfs/dbraw/zinc/65/67/78/568656778.db2.gz HQOWNTFGWQBHKH-UHFFFAOYSA-N 0 0 409.020 5.737 40 0 HKABRN CC(C)Oc1cccc(NC(=S)NCCCSCc2ccc(Cl)cc2)c1 ZINC000225610481 568656831 /nfs/dbraw/zinc/65/68/31/568656831.db2.gz FVNKVWBPTAUZQN-UHFFFAOYSA-N 0 0 409.020 5.737 40 0 HKABRN O=C(Cc1cccc(Br)c1)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000225611539 568656830 /nfs/dbraw/zinc/65/68/30/568656830.db2.gz NMRSJMDRFPCEMN-LJQANCHMSA-N 0 0 414.343 5.335 40 0 HKABRN O=C(Cc1cccc(Br)c1)N[C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000225611562 568656753 /nfs/dbraw/zinc/65/67/53/568656753.db2.gz NMRSJMDRFPCEMN-IBGZPJMESA-N 0 0 414.343 5.335 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)Cc2cccc(Br)c2)c2ccccc2O1 ZINC000225611604 568656819 /nfs/dbraw/zinc/65/68/19/568656819.db2.gz SWHNXOZLVQEATI-GOSISDBHSA-N 0 0 402.332 5.190 40 0 HKABRN Fc1ccccc1CSCCCNC(=S)Nc1cccc(Br)c1 ZINC000225611620 568656839 /nfs/dbraw/zinc/65/68/39/568656839.db2.gz JSNQJNPKTZIIRM-UHFFFAOYSA-N 0 0 413.381 5.198 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)Cc2cccc(Br)c2)c2ccccc2O1 ZINC000225611634 568656760 /nfs/dbraw/zinc/65/67/60/568656760.db2.gz SWHNXOZLVQEATI-SFHVURJKSA-N 0 0 402.332 5.190 40 0 HKABRN Fc1ccccc1CSCCCNC(=S)Nc1ccc(Br)cc1 ZINC000225611665 568656784 /nfs/dbraw/zinc/65/67/84/568656784.db2.gz OTLXFXMIXUXJJB-UHFFFAOYSA-N 0 0 413.381 5.198 40 0 HKABRN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccccc1OCc1ccccc1 ZINC000225611793 568656827 /nfs/dbraw/zinc/65/68/27/568656827.db2.gz JAELZGSBBSOVQM-UHFFFAOYSA-N 0 0 421.909 5.690 40 0 HKABRN Fc1ccccc1CSCCCNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000225611869 568656751 /nfs/dbraw/zinc/65/67/51/568656751.db2.gz FKSBXNNGUJHIKB-UHFFFAOYSA-N 0 0 402.482 5.454 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000225612267 568656776 /nfs/dbraw/zinc/65/67/76/568656776.db2.gz QRSYTDWHSSDFGQ-HXUWFJFHSA-N 0 0 407.539 5.188 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000225612290 568656826 /nfs/dbraw/zinc/65/68/26/568656826.db2.gz QRSYTDWHSSDFGQ-FQEVSTJZSA-N 0 0 407.539 5.188 40 0 HKABRN Fc1ccccc1CSCCCNC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000225612490 568656802 /nfs/dbraw/zinc/65/68/02/568656802.db2.gz WVOVKOTTZXSFET-UHFFFAOYSA-N 0 0 402.482 5.454 40 0 HKABRN Fc1ccccc1CSCCCNC(=S)Nc1ccc(OC2CCCC2)cc1 ZINC000225613348 568657062 /nfs/dbraw/zinc/65/70/62/568657062.db2.gz NGUJXKOUVJSPAU-UHFFFAOYSA-N 0 0 418.603 5.757 40 0 HKABRN O=C(Cc1cccc(Br)c1)Nc1ccc(CSc2ccccc2)cc1 ZINC000225614007 568656993 /nfs/dbraw/zinc/65/69/93/568656993.db2.gz BCYIWLKASHLQSF-UHFFFAOYSA-N 0 0 412.352 5.923 40 0 HKABRN Fc1ccc(CSCCCNC(=S)Nc2cccc(Br)c2)cc1 ZINC000225614443 568657239 /nfs/dbraw/zinc/65/72/39/568657239.db2.gz MGXWGEZMLGNMFS-UHFFFAOYSA-N 0 0 413.381 5.198 40 0 HKABRN Fc1ccc(CSCCCNC(=S)Nc2ccc(Br)cc2)cc1 ZINC000225614479 568657116 /nfs/dbraw/zinc/65/71/16/568657116.db2.gz SRCRLQJWHZUAAC-UHFFFAOYSA-N 0 0 413.381 5.198 40 0 HKABRN O=C(Cc1cccc(Br)c1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000225614640 568657188 /nfs/dbraw/zinc/65/71/88/568657188.db2.gz SHKJMPIMLNFIQP-UHFFFAOYSA-N 0 0 424.382 6.098 40 0 HKABRN Fc1ccc(CSCCCNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000225614727 568657273 /nfs/dbraw/zinc/65/72/73/568657273.db2.gz FBRATBJRMVLBLF-UHFFFAOYSA-N 0 0 402.482 5.454 40 0 HKABRN Fc1ccc(CSCCCNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000225615494 568657210 /nfs/dbraw/zinc/65/72/10/568657210.db2.gz MDABBFKKMWIQQD-UHFFFAOYSA-N 0 0 402.482 5.454 40 0 HKABRN O=C(Cc1cccc(Br)c1)Nc1ccc(Br)c(Cl)c1 ZINC000225615998 568657385 /nfs/dbraw/zinc/65/73/85/568657385.db2.gz JPMSOQOXRHUGFG-UHFFFAOYSA-N 0 0 403.501 5.046 40 0 HKABRN O=C(Cc1cccc(Br)c1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000225616079 568657331 /nfs/dbraw/zinc/65/73/31/568657331.db2.gz KWTYLTSHNOWQRW-UHFFFAOYSA-N 0 0 416.702 6.076 40 0 HKABRN Fc1ccc(CSCCCNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 ZINC000225616323 568657418 /nfs/dbraw/zinc/65/74/18/568657418.db2.gz XOHNUVLUWBPAKE-UHFFFAOYSA-N 0 0 418.603 5.757 40 0 HKABRN COC(CC(C)C)(CC(C)C)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 ZINC000225616736 568657393 /nfs/dbraw/zinc/65/73/93/568657393.db2.gz GTTLZWKLZQTRTE-UHFFFAOYSA-N 0 0 411.586 6.298 40 0 HKABRN S=C(NCCCOC1CCCCC1)Nc1ccc(CSc2ccccc2)cc1 ZINC000225617373 568657405 /nfs/dbraw/zinc/65/74/05/568657405.db2.gz SJAPCRPXVVVKCN-UHFFFAOYSA-N 0 0 414.640 6.005 40 0 HKABRN S=C(NCCCOC1CCCCC1)Nc1ccc(Br)c(Cl)c1 ZINC000225617593 568657627 /nfs/dbraw/zinc/65/76/27/568657627.db2.gz WOAJZCXHJAOJKW-UHFFFAOYSA-N 0 0 405.789 5.128 40 0 HKABRN S=C(NCCCOC1CCCC1)Nc1ccc(CSc2ccccc2)cc1 ZINC000225619595 568657662 /nfs/dbraw/zinc/65/76/62/568657662.db2.gz HFRAZZDBSHNIQO-UHFFFAOYSA-N 0 0 400.613 5.615 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)Cc3cccc(Br)c3)ccc21 ZINC000225619807 568657612 /nfs/dbraw/zinc/65/76/12/568657612.db2.gz JLCLKSMABJUXRL-UHFFFAOYSA-N 0 0 407.311 5.758 40 0 HKABRN CCOc1ccc(CCCNC(=S)Nc2ccc(Br)c(C)c2)cc1 ZINC000225622098 568657806 /nfs/dbraw/zinc/65/78/06/568657806.db2.gz XSSTXRLZMUUZQS-UHFFFAOYSA-N 0 0 407.377 5.075 40 0 HKABRN CCOc1ccc(CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000225622135 568657937 /nfs/dbraw/zinc/65/79/37/568657937.db2.gz HSSYWWWPSISKCR-UHFFFAOYSA-N 0 0 416.896 5.677 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000225622330 568657863 /nfs/dbraw/zinc/65/78/63/568657863.db2.gz OXNVTIXMMJPXRJ-TZIWHRDSSA-N 0 0 418.002 6.410 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000225622355 568657869 /nfs/dbraw/zinc/65/78/69/568657869.db2.gz OXNVTIXMMJPXRJ-CTNGQTDRSA-N 0 0 418.002 6.410 40 0 HKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 ZINC000225622380 568657866 /nfs/dbraw/zinc/65/78/66/568657866.db2.gz OXNVTIXMMJPXRJ-PZJWPPBQSA-N 0 0 418.002 6.410 40 0 HKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 ZINC000225622400 568657840 /nfs/dbraw/zinc/65/78/40/568657840.db2.gz OXNVTIXMMJPXRJ-FPOVZHCZSA-N 0 0 418.002 6.410 40 0 HKABRN CCCOc1ccccc1CCCNC(=S)Nc1cccc(Br)c1 ZINC000225624559 568658240 /nfs/dbraw/zinc/65/82/40/568658240.db2.gz JWHVZMOTADELGK-UHFFFAOYSA-N 0 0 407.377 5.157 40 0 HKABRN CCCOc1ccccc1CCCNC(=S)Nc1ccc(Br)cc1 ZINC000225624592 568658225 /nfs/dbraw/zinc/65/82/25/568658225.db2.gz SNCVTYMDYXPOFZ-UHFFFAOYSA-N 0 0 407.377 5.157 40 0 HKABRN CCCOc1ccccc1CCCNC(=S)Nc1ccc(Br)c(C)c1 ZINC000225625125 568658407 /nfs/dbraw/zinc/65/84/07/568658407.db2.gz QTGJGHVVWLHGRR-UHFFFAOYSA-N 0 0 421.404 5.466 40 0 HKABRN CCCOc1ccccc1CCCNC(=S)Nc1ccc(OC2CCCC2)cc1 ZINC000225626275 568658351 /nfs/dbraw/zinc/65/83/51/568658351.db2.gz JIMODLZMXPXSQS-UHFFFAOYSA-N 0 0 412.599 5.716 40 0 HKABRN O=C(c1ccc2c(c1)CCCC2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000225628112 568658511 /nfs/dbraw/zinc/65/85/11/568658511.db2.gz XVFNBHCWHMCZGK-UHFFFAOYSA-N 0 0 410.561 5.113 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1(c2ccccc2)CCOCC1 ZINC000225629177 568658542 /nfs/dbraw/zinc/65/85/42/568658542.db2.gz FPAXDMOMKWHUOJ-UHFFFAOYSA-N 0 0 407.897 5.819 40 0 HKABRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)C1(c2ccccc2)CCCC1 ZINC000225629304 568658568 /nfs/dbraw/zinc/65/85/68/568658568.db2.gz CWWDCGGRYWNADF-UHFFFAOYSA-N 0 0 408.394 5.855 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc4c(c3)CCCC4)c2)cc1 ZINC000225630393 568658564 /nfs/dbraw/zinc/65/85/64/568658564.db2.gz BLYOZNSASXRPKT-UHFFFAOYSA-N 0 0 411.545 6.346 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc(C)c1Cl ZINC000225630480 568658446 /nfs/dbraw/zinc/65/84/46/568658446.db2.gz PVMFZMBFNWQPQM-LBPRGKRZSA-N 0 0 422.337 5.535 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc(C)c1Cl ZINC000225630509 568658549 /nfs/dbraw/zinc/65/85/49/568658549.db2.gz PVMFZMBFNWQPQM-GFCCVEGCSA-N 0 0 422.337 5.535 40 0 HKABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)Nc1cccc(OC(C)C)c1 ZINC000225630858 568658604 /nfs/dbraw/zinc/65/86/04/568658604.db2.gz YNKKIARDQAZFKI-JCMHNJIXSA-N 0 0 420.534 5.253 40 0 HKABRN CC[C@@H](CNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccccc1 ZINC000225631065 568658445 /nfs/dbraw/zinc/65/84/45/568658445.db2.gz JSXCNVBSMWXQCO-CYBMUJFWSA-N 0 0 400.897 5.914 40 0 HKABRN CC[C@H](CNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccccc1 ZINC000225631087 568658730 /nfs/dbraw/zinc/65/87/30/568658730.db2.gz JSXCNVBSMWXQCO-ZDUSSCGKSA-N 0 0 400.897 5.914 40 0 HKABRN CC[C@@H](CNC(=S)Nc1ccc(CSc2ccccc2)cc1)Cc1ccccc1 ZINC000225631199 568658701 /nfs/dbraw/zinc/65/87/01/568658701.db2.gz BKSYJMVIQFLQSB-HXUWFJFHSA-N 0 0 420.647 6.534 40 0 HKABRN CC[C@H](CNC(=S)Nc1ccc(CSc2ccccc2)cc1)Cc1ccccc1 ZINC000225631228 568658668 /nfs/dbraw/zinc/65/86/68/568658668.db2.gz BKSYJMVIQFLQSB-FQEVSTJZSA-N 0 0 420.647 6.534 40 0 HKABRN CC[C@@H](CNC(=S)Nc1ccc(Br)c(Cl)c1)Cc1ccccc1 ZINC000225631769 568658717 /nfs/dbraw/zinc/65/87/17/568658717.db2.gz GBOXOZVPHRQLFY-CYBMUJFWSA-N 0 0 411.796 5.658 40 0 HKABRN CC[C@H](CNC(=S)Nc1ccc(Br)c(Cl)c1)Cc1ccccc1 ZINC000225631800 568658802 /nfs/dbraw/zinc/65/88/02/568658802.db2.gz GBOXOZVPHRQLFY-ZDUSSCGKSA-N 0 0 411.796 5.658 40 0 HKABRN O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000225632050 568658688 /nfs/dbraw/zinc/65/86/88/568658688.db2.gz ISRPHJXSXIJBJE-UHFFFAOYSA-N 0 0 407.966 6.763 40 0 HKABRN COc1ccccc1Oc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCC2 ZINC000225632737 568658742 /nfs/dbraw/zinc/65/87/42/568658742.db2.gz DRICJLGZXWJWBE-UHFFFAOYSA-N 0 0 407.897 6.272 40 0 HKABRN CCOC(=O)c1cc(NC(=S)NC[C@@H](CC)Cc2ccccc2)ccc1Cl ZINC000225632791 568658751 /nfs/dbraw/zinc/65/87/51/568658751.db2.gz HCCDDNOVVLOLHH-HNNXBMFYSA-N 0 0 404.963 5.072 40 0 HKABRN CCOC(=O)c1cc(NC(=S)NC[C@H](CC)Cc2ccccc2)ccc1Cl ZINC000225632823 568658681 /nfs/dbraw/zinc/65/86/81/568658681.db2.gz HCCDDNOVVLOLHH-OAHLLOKOSA-N 0 0 404.963 5.072 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)NC[C@@H](CC)Cc2ccccc2)cc1Cl ZINC000225632867 568658709 /nfs/dbraw/zinc/65/87/09/568658709.db2.gz UALNSKOHQGOIPS-HNNXBMFYSA-N 0 0 404.963 5.072 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)NC[C@H](CC)Cc2ccccc2)cc1Cl ZINC000225632902 568658693 /nfs/dbraw/zinc/65/86/93/568658693.db2.gz UALNSKOHQGOIPS-OAHLLOKOSA-N 0 0 404.963 5.072 40 0 HKABRN COc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc3c(c2)CCCC3)c1 ZINC000225634176 568658903 /nfs/dbraw/zinc/65/89/03/568658903.db2.gz JPXBQEIPVDOATL-UHFFFAOYSA-N 0 0 407.897 6.272 40 0 HKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000225634220 568659024 /nfs/dbraw/zinc/65/90/24/568659024.db2.gz LOLGVTLPMZVWAA-UHFFFAOYSA-N 0 0 407.897 6.272 40 0 HKABRN Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225635420 568659056 /nfs/dbraw/zinc/65/90/56/568659056.db2.gz HXGZDBWVFKWSCP-GFCCVEGCSA-N 0 0 402.869 5.421 40 0 HKABRN Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225635450 568658957 /nfs/dbraw/zinc/65/89/57/568658957.db2.gz HXGZDBWVFKWSCP-LBPRGKRZSA-N 0 0 402.869 5.421 40 0 HKABRN Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(CSc2ccccc2)cc1 ZINC000225635552 568658961 /nfs/dbraw/zinc/65/89/61/568658961.db2.gz HYNYAYUOHIGMKB-LJQANCHMSA-N 0 0 422.619 6.041 40 0 HKABRN Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(CSc2ccccc2)cc1 ZINC000225635586 568658952 /nfs/dbraw/zinc/65/89/52/568658952.db2.gz HYNYAYUOHIGMKB-IBGZPJMESA-N 0 0 422.619 6.041 40 0 HKABRN CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)c1ccc2c(c1)CCCC2 ZINC000225635848 568658910 /nfs/dbraw/zinc/65/89/10/568658910.db2.gz XDTZXEONFJZARB-UHFFFAOYSA-N 0 0 403.526 5.185 40 0 HKABRN Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(Br)c(Cl)c1 ZINC000225635936 568658931 /nfs/dbraw/zinc/65/89/31/568658931.db2.gz HKHRKEUKRQSCHG-GFCCVEGCSA-N 0 0 413.768 5.165 40 0 HKABRN Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(Br)c(Cl)c1 ZINC000225635967 568659043 /nfs/dbraw/zinc/65/90/43/568659043.db2.gz HKHRKEUKRQSCHG-LBPRGKRZSA-N 0 0 413.768 5.165 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 ZINC000225637068 568659204 /nfs/dbraw/zinc/65/92/04/568659204.db2.gz IRDFDJOLTQFPMR-IBGZPJMESA-N 0 0 422.569 5.587 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 ZINC000225637089 568659302 /nfs/dbraw/zinc/65/93/02/568659302.db2.gz IRDFDJOLTQFPMR-LJQANCHMSA-N 0 0 422.569 5.587 40 0 HKABRN Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000225640932 568659288 /nfs/dbraw/zinc/65/92/88/568659288.db2.gz XPCQWFPTWWUAGU-GFCCVEGCSA-N 0 0 402.869 5.421 40 0 HKABRN Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000225640968 568659163 /nfs/dbraw/zinc/65/91/63/568659163.db2.gz XPCQWFPTWWUAGU-LBPRGKRZSA-N 0 0 402.869 5.421 40 0 HKABRN Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000225641083 568659567 /nfs/dbraw/zinc/65/95/67/568659567.db2.gz UPXGYUMUWCHZLH-LJQANCHMSA-N 0 0 422.619 6.041 40 0 HKABRN Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000225641113 568659445 /nfs/dbraw/zinc/65/94/45/568659445.db2.gz UPXGYUMUWCHZLH-IBGZPJMESA-N 0 0 422.619 6.041 40 0 HKABRN Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000225641664 568659486 /nfs/dbraw/zinc/65/94/86/568659486.db2.gz XFADBSFEMNXLOC-GFCCVEGCSA-N 0 0 413.768 5.165 40 0 HKABRN Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000225641692 568659443 /nfs/dbraw/zinc/65/94/43/568659443.db2.gz XFADBSFEMNXLOC-LBPRGKRZSA-N 0 0 413.768 5.165 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nnc(SCc2ccccc2)s1 ZINC000225641828 568659476 /nfs/dbraw/zinc/65/94/76/568659476.db2.gz OZXVNPZONZVDIW-VQHVLOKHSA-N 0 0 422.362 5.789 40 0 HKABRN COC(=O)c1c2c(sc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)CCCC2 ZINC000225644383 568659690 /nfs/dbraw/zinc/65/96/90/568659690.db2.gz WZYADMQZEDJCNC-OAHLLOKOSA-N 0 0 415.555 5.251 40 0 HKABRN COC(=O)c1c2c(sc1NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)CCCC2 ZINC000225644410 568659686 /nfs/dbraw/zinc/65/96/86/568659686.db2.gz WZYADMQZEDJCNC-HNNXBMFYSA-N 0 0 415.555 5.251 40 0 HKABRN Cc1cc(C)c(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C ZINC000225647135 568659963 /nfs/dbraw/zinc/65/99/63/568659963.db2.gz CIBNTKDKDSQFBC-UHFFFAOYSA-N 0 0 414.549 6.414 40 0 HKABRN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000225648960 568660048 /nfs/dbraw/zinc/66/00/48/568660048.db2.gz YRPVCEGBANNIFB-UHFFFAOYSA-N 0 0 412.946 5.097 40 0 HKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 ZINC000225653582 568660322 /nfs/dbraw/zinc/66/03/22/568660322.db2.gz UAHSICXXFVUCJK-AREMUKBSSA-N 0 0 411.586 6.587 40 0 HKABRN CCCCC[C@](C)(OCCC)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 ZINC000225653606 568660380 /nfs/dbraw/zinc/66/03/80/568660380.db2.gz UAHSICXXFVUCJK-SANMLTNESA-N 0 0 411.586 6.587 40 0 HKABRN COc1cc(C)c(C(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)cc1C(C)C ZINC000225654016 568660413 /nfs/dbraw/zinc/66/04/13/568660413.db2.gz HKRREWCRAMSSQL-JOCHJYFZSA-N 0 0 407.554 6.084 40 0 HKABRN COc1cc(C)c(C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cc1C(C)C ZINC000225654037 568660475 /nfs/dbraw/zinc/66/04/75/568660475.db2.gz HKRREWCRAMSSQL-QFIPXVFZSA-N 0 0 407.554 6.084 40 0 HKABRN COc1ccc(OC)c([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2Cl)c1 ZINC000225655368 568660479 /nfs/dbraw/zinc/66/04/79/568660479.db2.gz KOKOBHBOICJCFP-GFCCVEGCSA-N 0 0 414.354 5.121 40 0 HKABRN COc1ccc(OC)c([C@H](C)NC(=O)CSCc2ccc(Cl)cc2Cl)c1 ZINC000225655400 568660541 /nfs/dbraw/zinc/66/05/41/568660541.db2.gz KOKOBHBOICJCFP-LBPRGKRZSA-N 0 0 414.354 5.121 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1F)NCCSCc1ccc(Cl)cc1 ZINC000225657118 568660765 /nfs/dbraw/zinc/66/07/65/568660765.db2.gz PWVONMGEXUOYOF-UHFFFAOYSA-N 0 0 418.386 5.415 40 0 HKABRN CCc1cccc(CC)c1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000225658178 568660923 /nfs/dbraw/zinc/66/09/23/568660923.db2.gz LBKUTVDADRZBOC-PGMHBOJBSA-N 0 0 404.535 5.283 40 0 HKABRN COc1cc(C)c(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1C(C)C ZINC000225658278 568660886 /nfs/dbraw/zinc/66/08/86/568660886.db2.gz NNUCQGJHUMUNPK-UHFFFAOYSA-N 0 0 405.563 6.672 40 0 HKABRN CCCOC1(C(=O)Nc2ccc(OCCC(C)(C)OC)c(Cl)c2)CCCCC1 ZINC000225658663 568660981 /nfs/dbraw/zinc/66/09/81/568660981.db2.gz XHLSQPGSQPQHHF-UHFFFAOYSA-N 0 0 411.970 5.602 40 0 HKABRN COc1cc(C)c(C(=O)NCCSCc2c(F)cccc2Cl)cc1C(C)C ZINC000225658841 568660961 /nfs/dbraw/zinc/66/09/61/568660961.db2.gz HFMYTQGXHYLRNM-UHFFFAOYSA-N 0 0 409.954 5.583 40 0 HKABRN COc1cc(C)c(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1C(C)C ZINC000225658992 568660951 /nfs/dbraw/zinc/66/09/51/568660951.db2.gz RSEXZPJKCXZGGK-UHFFFAOYSA-N 0 0 417.593 6.847 40 0 HKABRN COc1cc(C)c(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1C(C)C ZINC000225659095 568660934 /nfs/dbraw/zinc/66/09/34/568660934.db2.gz FADSASOVWIKKDM-UHFFFAOYSA-N 0 0 408.542 5.442 40 0 HKABRN COc1cc(C)c(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1C(C)C ZINC000225659166 568660881 /nfs/dbraw/zinc/66/08/81/568660881.db2.gz HONJYXKSMHUMRQ-UHFFFAOYSA-N 0 0 416.521 5.309 40 0 HKABRN Cc1cc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)ccc1Br ZINC000225659345 568660914 /nfs/dbraw/zinc/66/09/14/568660914.db2.gz QKTMCDOTWIATOM-HNNXBMFYSA-N 0 0 405.405 5.800 40 0 HKABRN Cc1cc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)ccc1Br ZINC000225659368 568660889 /nfs/dbraw/zinc/66/08/89/568660889.db2.gz QKTMCDOTWIATOM-OAHLLOKOSA-N 0 0 405.405 5.800 40 0 HKABRN C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225659405 568661136 /nfs/dbraw/zinc/66/11/36/568661136.db2.gz CEQBJYPOAYQQTI-ZDUSSCGKSA-N 0 0 414.924 6.402 40 0 HKABRN C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225659433 568661146 /nfs/dbraw/zinc/66/11/46/568661146.db2.gz CEQBJYPOAYQQTI-CYBMUJFWSA-N 0 0 414.924 6.402 40 0 HKABRN COc1cc(C)c(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C(C)C ZINC000225659805 568661150 /nfs/dbraw/zinc/66/11/50/568661150.db2.gz RQJFQWVEYHEPRW-UHFFFAOYSA-N 0 0 400.950 5.051 40 0 HKABRN CCOC(=O)c1c(NC(=O)c2cc(C(C)C)c(OC)cc2C)sc2c1CCCC2 ZINC000225660009 568661149 /nfs/dbraw/zinc/66/11/49/568661149.db2.gz DJALKPWFSBOUAT-UHFFFAOYSA-N 0 0 415.555 5.496 40 0 HKABRN COC(=O)c1c2c(sc1NC(=O)c1cc(C(C)C)c(OC)cc1C)CCCC2 ZINC000225660046 568661167 /nfs/dbraw/zinc/66/11/67/568661167.db2.gz XVBPFXZSSBBXBF-UHFFFAOYSA-N 0 0 401.528 5.106 40 0 HKABRN C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(Br)cc1F ZINC000225660163 568661170 /nfs/dbraw/zinc/66/11/70/568661170.db2.gz PNFNMQLXEKVDEA-ZDUSSCGKSA-N 0 0 409.368 5.631 40 0 HKABRN C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(Br)cc1F ZINC000225660192 568661139 /nfs/dbraw/zinc/66/11/39/568661139.db2.gz PNFNMQLXEKVDEA-CYBMUJFWSA-N 0 0 409.368 5.631 40 0 HKABRN COC(=O)c1cc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)ccc1Cl ZINC000225660227 568661140 /nfs/dbraw/zinc/66/11/40/568661140.db2.gz LFNFZPMRAIVGRI-AWEZNQCLSA-N 0 0 404.963 5.169 40 0 HKABRN COC(=O)c1cc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)ccc1Cl ZINC000225660252 568661126 /nfs/dbraw/zinc/66/11/26/568661126.db2.gz LFNFZPMRAIVGRI-CQSZACIVSA-N 0 0 404.963 5.169 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)c1 ZINC000225660288 568661156 /nfs/dbraw/zinc/66/11/56/568661156.db2.gz NPMFYMRIYVCHDT-AWEZNQCLSA-N 0 0 404.963 5.169 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)c1 ZINC000225660315 568661134 /nfs/dbraw/zinc/66/11/34/568661134.db2.gz NPMFYMRIYVCHDT-CQSZACIVSA-N 0 0 404.963 5.169 40 0 HKABRN CCCOC1(C(=O)Nc2cc(C)c(OCc3ccccc3)c(C)c2)CCCCCC1 ZINC000225660406 568661185 /nfs/dbraw/zinc/66/11/85/568661185.db2.gz PLXLSBLTXUEAHT-UHFFFAOYSA-N 0 0 409.570 6.341 40 0 HKABRN COc1cc(C)c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1C(C)C ZINC000225660627 568661135 /nfs/dbraw/zinc/66/11/35/568661135.db2.gz KHUIGBVRFDIWRV-UHFFFAOYSA-N 0 0 409.913 6.825 40 0 HKABRN CCOC(=O)c1cc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)ccc1Cl ZINC000225660864 568661418 /nfs/dbraw/zinc/66/14/18/568661418.db2.gz PCTQXOHEQPDCBJ-HNNXBMFYSA-N 0 0 418.990 5.560 40 0 HKABRN CCOC(=O)c1cc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)ccc1Cl ZINC000225660886 568661397 /nfs/dbraw/zinc/66/13/97/568661397.db2.gz PCTQXOHEQPDCBJ-OAHLLOKOSA-N 0 0 418.990 5.560 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)cc1Cl ZINC000225660927 568661371 /nfs/dbraw/zinc/66/13/71/568661371.db2.gz DVBZPNYIMFIONU-HNNXBMFYSA-N 0 0 418.990 5.560 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)cc1Cl ZINC000225660951 568661392 /nfs/dbraw/zinc/66/13/92/568661392.db2.gz DVBZPNYIMFIONU-OAHLLOKOSA-N 0 0 418.990 5.560 40 0 HKABRN Cc1cc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)ccc1N1CCCC1=O ZINC000225661299 568661408 /nfs/dbraw/zinc/66/14/08/568661408.db2.gz MHOJXKVVKFJSBP-SFHVURJKSA-N 0 0 409.599 5.165 40 0 HKABRN Cc1cc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)ccc1N1CCCC1=O ZINC000225661325 525265344 /nfs/dbraw/zinc/26/53/44/525265344.db2.gz MHOJXKVVKFJSBP-GOSISDBHSA-N 0 0 409.599 5.165 40 0 HKABRN Cc1ccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)cc1N1CCCC1=O ZINC000225661363 568661378 /nfs/dbraw/zinc/66/13/78/568661378.db2.gz DRLPAXCVUADULD-SFHVURJKSA-N 0 0 409.599 5.165 40 0 HKABRN Cc1ccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)cc1N1CCCC1=O ZINC000225661389 568661374 /nfs/dbraw/zinc/66/13/74/568661374.db2.gz DRLPAXCVUADULD-GOSISDBHSA-N 0 0 409.599 5.165 40 0 HKABRN C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000225661502 568661394 /nfs/dbraw/zinc/66/13/94/568661394.db2.gz GNWWDWDCGOARPK-IBGZPJMESA-N 0 0 423.626 5.356 40 0 HKABRN C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000225661532 568661393 /nfs/dbraw/zinc/66/13/93/568661393.db2.gz GNWWDWDCGOARPK-LJQANCHMSA-N 0 0 423.626 5.356 40 0 HKABRN COc1cc(C)c(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1C(C)C ZINC000225664294 568661651 /nfs/dbraw/zinc/66/16/51/568661651.db2.gz ZDPXSHCZCXUCLR-UHFFFAOYSA-N 0 0 408.542 5.396 40 0 HKABRN COc1cc(C)c(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(C)C ZINC000225664654 568661913 /nfs/dbraw/zinc/66/19/13/568661913.db2.gz XSNWFUZIHMZTCP-UHFFFAOYSA-N 0 0 421.924 6.264 40 0 HKABRN COc1cc(C)c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C(C)C ZINC000225665006 568661885 /nfs/dbraw/zinc/66/18/85/568661885.db2.gz CRMHQDMZECNYTF-UHFFFAOYSA-N 0 0 420.475 5.108 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)c3cc(C(C)C)c(OC)cc3C)ccc21 ZINC000225665047 568661842 /nfs/dbraw/zinc/66/18/42/568661842.db2.gz CSRSTTXFKZUGJV-UHFFFAOYSA-N 0 0 400.522 6.507 40 0 HKABRN COc1cc(C)c(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1C(C)C ZINC000225665659 568661855 /nfs/dbraw/zinc/66/18/55/568661855.db2.gz UCIPNOZGNLYTCA-UHFFFAOYSA-N 0 0 421.512 5.775 40 0 HKABRN CCCO[C@@]1(C(=O)Nc2cc(C)c(OCc3ccccc3)c(C)c2)CCC[C@@H](C)C1 ZINC000225666811 568662074 /nfs/dbraw/zinc/66/20/74/568662074.db2.gz CCOOSVYCBRWNNG-BCHFMIIMSA-N 0 0 409.570 6.196 40 0 HKABRN CCCO[C@]1(C(=O)Nc2cc(C)c(OCc3ccccc3)c(C)c2)CCC[C@@H](C)C1 ZINC000225666843 568662018 /nfs/dbraw/zinc/66/20/18/568662018.db2.gz CCOOSVYCBRWNNG-NIYFSFCBSA-N 0 0 409.570 6.196 40 0 HKABRN CCCO[C@@]1(C(=O)Nc2cc(C)c(OCc3ccccc3)c(C)c2)CCC[C@H](C)C1 ZINC000225666875 568662159 /nfs/dbraw/zinc/66/21/59/568662159.db2.gz CCOOSVYCBRWNNG-SIBVEZHUSA-N 0 0 409.570 6.196 40 0 HKABRN CCCO[C@]1(C(=O)Nc2cc(C)c(OCc3ccccc3)c(C)c2)CCC[C@H](C)C1 ZINC000225666905 568662114 /nfs/dbraw/zinc/66/21/14/568662114.db2.gz CCOOSVYCBRWNNG-AFMDSPMNSA-N 0 0 409.570 6.196 40 0 HKABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)cc1C ZINC000225669743 568662490 /nfs/dbraw/zinc/66/24/90/568662490.db2.gz SDXLEUHZKWFGDC-UHFFFAOYSA-N 0 0 411.885 6.100 40 0 HKABRN COc1cc(C)c(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1C(C)C ZINC000225670142 568662459 /nfs/dbraw/zinc/66/24/59/568662459.db2.gz OGPDGVHAUGPMOZ-UHFFFAOYSA-N 0 0 413.905 5.103 40 0 HKABRN CCCOC1(C(=O)Nc2cc(C)c(OCc3ccccc3)c(C)c2)CCC(C)CC1 ZINC000225670163 568662443 /nfs/dbraw/zinc/66/24/43/568662443.db2.gz DVQQNUMVOAEXKR-UHFFFAOYSA-N 0 0 409.570 6.196 40 0 HKABRN COc1cc(C)c(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1C(C)C ZINC000225670176 568662458 /nfs/dbraw/zinc/66/24/58/568662458.db2.gz VQNXCBFONJSXGL-UHFFFAOYSA-N 0 0 413.905 5.103 40 0 HKABRN COc1cc(C)c(C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C(C)C ZINC000225670350 568662507 /nfs/dbraw/zinc/66/25/07/568662507.db2.gz NFTBAQVJAXZCSJ-UHFFFAOYSA-N 0 0 421.541 5.405 40 0 HKABRN COc1cc(C)c(C(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1C(C)C ZINC000225670599 568662471 /nfs/dbraw/zinc/66/24/71/568662471.db2.gz QORUAHUVLDHAKX-UHFFFAOYSA-N 0 0 413.905 5.103 40 0 HKABRN COc1cc(C)c(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1C(C)C ZINC000225670923 568662535 /nfs/dbraw/zinc/66/25/35/568662535.db2.gz LJDUAEDTMDAQJX-UHFFFAOYSA-N 0 0 413.568 5.523 40 0 HKABRN Cc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(Br)c1)CC(C)(C)O2 ZINC000225672755 568662724 /nfs/dbraw/zinc/66/27/24/568662724.db2.gz XVXDSZQEYPODOF-INIZCTEOSA-N 0 0 405.361 5.346 40 0 HKABRN Cc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(Br)c1)CC(C)(C)O2 ZINC000225672782 568662709 /nfs/dbraw/zinc/66/27/09/568662709.db2.gz XVXDSZQEYPODOF-MRXNPFEDSA-N 0 0 405.361 5.346 40 0 HKABRN Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(Br)cc1)CC(C)(C)O2 ZINC000225672814 568662718 /nfs/dbraw/zinc/66/27/18/568662718.db2.gz QVOJVNBAWNECTI-INIZCTEOSA-N 0 0 405.361 5.346 40 0 HKABRN COc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1C(C)C ZINC000225672831 568662687 /nfs/dbraw/zinc/66/26/87/568662687.db2.gz RGHSVHYXGPNVIY-VWLOTQADSA-N 0 0 423.578 5.503 40 0 HKABRN Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(Br)cc1)CC(C)(C)O2 ZINC000225672838 568662695 /nfs/dbraw/zinc/66/26/95/568662695.db2.gz QVOJVNBAWNECTI-MRXNPFEDSA-N 0 0 405.361 5.346 40 0 HKABRN COc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1C(C)C ZINC000225672850 568662721 /nfs/dbraw/zinc/66/27/21/568662721.db2.gz RGHSVHYXGPNVIY-RUZDIDTESA-N 0 0 423.578 5.503 40 0 HKABRN Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(Br)c(C)c1)CC(C)(C)O2 ZINC000225673785 568662751 /nfs/dbraw/zinc/66/27/51/568662751.db2.gz SZUCAFXVIAVYSF-KRWDZBQOSA-N 0 0 419.388 5.655 40 0 HKABRN Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(Br)c(C)c1)CC(C)(C)O2 ZINC000225673811 568662963 /nfs/dbraw/zinc/66/29/63/568662963.db2.gz SZUCAFXVIAVYSF-QGZVFWFLSA-N 0 0 419.388 5.655 40 0 HKABRN Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(Br)cc1F)CC(C)(C)O2 ZINC000225674752 568662992 /nfs/dbraw/zinc/66/29/92/568662992.db2.gz WCLRPUGPFCFRSV-INIZCTEOSA-N 0 0 423.351 5.485 40 0 HKABRN Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(Br)cc1F)CC(C)(C)O2 ZINC000225674783 568662985 /nfs/dbraw/zinc/66/29/85/568662985.db2.gz WCLRPUGPFCFRSV-MRXNPFEDSA-N 0 0 423.351 5.485 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C)c1ccc(C)cc1 ZINC000225674810 568662986 /nfs/dbraw/zinc/66/29/86/568662986.db2.gz HQGURKDWRFUDIR-LEYFIJQKSA-N 0 0 418.562 5.403 40 0 HKABRN COC(=O)c1cc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)ccc1Cl ZINC000225674819 568662991 /nfs/dbraw/zinc/66/29/91/568662991.db2.gz XHSONNBPAPEUMQ-QGZVFWFLSA-N 0 0 418.946 5.024 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C)c1ccc(C)cc1 ZINC000225674839 568662956 /nfs/dbraw/zinc/66/29/56/568662956.db2.gz HQGURKDWRFUDIR-NRPPHEFGSA-N 0 0 418.562 5.403 40 0 HKABRN COC(=O)c1cc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)ccc1Cl ZINC000225674847 568662964 /nfs/dbraw/zinc/66/29/64/568662964.db2.gz XHSONNBPAPEUMQ-KRWDZBQOSA-N 0 0 418.946 5.024 40 0 HKABRN CCSc1nnc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)s1 ZINC000225674877 568662980 /nfs/dbraw/zinc/66/29/80/568662980.db2.gz LFUAZSFSASPYKU-UHFFFAOYSA-N 0 0 417.581 5.074 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 ZINC000225674884 568662999 /nfs/dbraw/zinc/66/29/99/568662999.db2.gz OGDAJFUYLYMQJB-QGZVFWFLSA-N 0 0 418.946 5.024 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 ZINC000225674911 568662994 /nfs/dbraw/zinc/66/29/94/568662994.db2.gz OGDAJFUYLYMQJB-KRWDZBQOSA-N 0 0 418.946 5.024 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1C ZINC000225675150 568662996 /nfs/dbraw/zinc/66/29/96/568662996.db2.gz MTMFLCXYHQHFPI-LJQANCHMSA-N 0 0 412.555 5.069 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1C ZINC000225675175 568662989 /nfs/dbraw/zinc/66/29/89/568662989.db2.gz MTMFLCXYHQHFPI-IBGZPJMESA-N 0 0 412.555 5.069 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 ZINC000225675204 568662966 /nfs/dbraw/zinc/66/29/66/568662966.db2.gz HGPFHMXVGRVRDJ-LJQANCHMSA-N 0 0 412.555 5.069 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 ZINC000225675230 568662974 /nfs/dbraw/zinc/66/29/74/568662974.db2.gz HGPFHMXVGRVRDJ-IBGZPJMESA-N 0 0 412.555 5.069 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c(C)c1 ZINC000225675270 568662951 /nfs/dbraw/zinc/66/29/51/568662951.db2.gz LFTFNXXDVYETDQ-LJQANCHMSA-N 0 0 412.555 5.069 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c(C)c1 ZINC000225675293 568662975 /nfs/dbraw/zinc/66/29/75/568662975.db2.gz LFTFNXXDVYETDQ-IBGZPJMESA-N 0 0 412.555 5.069 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(C)cc2C)c1 ZINC000225675580 568662955 /nfs/dbraw/zinc/66/29/55/568662955.db2.gz USFXCDDBWUFEBG-MIDMBNTASA-N 0 0 418.562 5.322 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C(=O)OCC ZINC000225675596 568662953 /nfs/dbraw/zinc/66/29/53/568662953.db2.gz WZXXEIIRTVDJAO-UHFFFAOYSA-N 0 0 409.526 5.493 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(C)cc2C)c1 ZINC000225675609 568662993 /nfs/dbraw/zinc/66/29/93/568662993.db2.gz USFXCDDBWUFEBG-IQJJTXKVSA-N 0 0 418.562 5.322 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1O[C@@H](C)CC ZINC000225675636 568662941 /nfs/dbraw/zinc/66/29/41/568662941.db2.gz GYTXIJSXROIBKD-SFHVURJKSA-N 0 0 409.526 5.491 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1O[C@H](C)CC ZINC000225675667 568663011 /nfs/dbraw/zinc/66/30/11/568663011.db2.gz GYTXIJSXROIBKD-GOSISDBHSA-N 0 0 409.526 5.491 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1OCC(C)C ZINC000225675707 568663186 /nfs/dbraw/zinc/66/31/86/568663186.db2.gz CMGYCOLHZPRVKV-UHFFFAOYSA-N 0 0 409.526 5.349 40 0 HKABRN Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(OC3CCCC3)cc1)CC(C)(C)O2 ZINC000225675851 568663150 /nfs/dbraw/zinc/66/31/50/568663150.db2.gz IELLJMQUYBBJMQ-NRFANRHFSA-N 0 0 410.583 5.905 40 0 HKABRN Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(OC3CCCC3)cc1)CC(C)(C)O2 ZINC000225675880 568663103 /nfs/dbraw/zinc/66/31/03/568663103.db2.gz IELLJMQUYBBJMQ-OAQYLSRUSA-N 0 0 410.583 5.905 40 0 HKABRN Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(N3CCCC3=O)c(C)c1)CC(C)(C)O2 ZINC000225675920 568663058 /nfs/dbraw/zinc/66/30/58/568663058.db2.gz XSXSMGFNWVIZHR-IBGZPJMESA-N 0 0 423.582 5.019 40 0 HKABRN Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(N3CCCC3=O)c(C)c1)CC(C)(C)O2 ZINC000225675949 568663112 /nfs/dbraw/zinc/66/31/12/568663112.db2.gz XSXSMGFNWVIZHR-LJQANCHMSA-N 0 0 423.582 5.019 40 0 HKABRN Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(C)c(N3CCCC3=O)c1)CC(C)(C)O2 ZINC000225675981 568663029 /nfs/dbraw/zinc/66/30/29/568663029.db2.gz BLGTYYGWHKUEQJ-IBGZPJMESA-N 0 0 423.582 5.019 40 0 HKABRN Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(C)c(N3CCCC3=O)c1)CC(C)(C)O2 ZINC000225676004 568663126 /nfs/dbraw/zinc/66/31/26/568663126.db2.gz BLGTYYGWHKUEQJ-LJQANCHMSA-N 0 0 423.582 5.019 40 0 HKABRN COc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c2cccnc12 ZINC000225676763 568663080 /nfs/dbraw/zinc/66/30/80/568663080.db2.gz MKNHFOQVTGBDOZ-GOSISDBHSA-N 0 0 407.539 5.141 40 0 HKABRN COc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c2cccnc12 ZINC000225676783 568663205 /nfs/dbraw/zinc/66/32/05/568663205.db2.gz MKNHFOQVTGBDOZ-SFHVURJKSA-N 0 0 407.539 5.141 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cccc(Br)c1 ZINC000225677207 568663268 /nfs/dbraw/zinc/66/32/68/568663268.db2.gz CORQYVNVMJPWPV-INIZCTEOSA-N 0 0 405.361 5.346 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(Br)c1 ZINC000225677223 568663258 /nfs/dbraw/zinc/66/32/58/568663258.db2.gz CORQYVNVMJPWPV-MRXNPFEDSA-N 0 0 405.361 5.346 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(Br)cc1 ZINC000225677253 568663317 /nfs/dbraw/zinc/66/33/17/568663317.db2.gz MFPKQDOGBMIPFW-INIZCTEOSA-N 0 0 405.361 5.346 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(Br)cc1 ZINC000225677273 568663262 /nfs/dbraw/zinc/66/32/62/568663262.db2.gz MFPKQDOGBMIPFW-MRXNPFEDSA-N 0 0 405.361 5.346 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(Br)c(C)c1 ZINC000225677966 568663399 /nfs/dbraw/zinc/66/33/99/568663399.db2.gz IBQFEGICPPBWIV-KRWDZBQOSA-N 0 0 419.388 5.655 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(Br)c(C)c1 ZINC000225677995 568663303 /nfs/dbraw/zinc/66/33/03/568663303.db2.gz IBQFEGICPPBWIV-QGZVFWFLSA-N 0 0 419.388 5.655 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C(=O)OC ZINC000225678223 568663418 /nfs/dbraw/zinc/66/34/18/568663418.db2.gz CSJVNIYMOBGKSW-GOSISDBHSA-N 0 0 409.526 5.409 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C(=O)OC ZINC000225678253 568663307 /nfs/dbraw/zinc/66/33/07/568663307.db2.gz CSJVNIYMOBGKSW-SFHVURJKSA-N 0 0 409.526 5.409 40 0 HKABRN COC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCC2)ccc1OCC(C)C ZINC000225678281 568663249 /nfs/dbraw/zinc/66/32/49/568663249.db2.gz STYSYVCZOQJWEM-UHFFFAOYSA-N 0 0 409.526 5.267 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C(=O)OC ZINC000225678314 568663282 /nfs/dbraw/zinc/66/32/82/568663282.db2.gz CBBOEJVRLKKZEW-UHFFFAOYSA-N 0 0 409.526 5.411 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C(=O)OCC ZINC000225678440 568663373 /nfs/dbraw/zinc/66/33/73/568663373.db2.gz WUUQDBNUMKRMAJ-UHFFFAOYSA-N 0 0 409.526 5.411 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCC2)ccc1OC(C)C ZINC000225678476 568663243 /nfs/dbraw/zinc/66/32/43/568663243.db2.gz HEQHQAXMGMYIHD-UHFFFAOYSA-N 0 0 409.526 5.409 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C(=O)OCC ZINC000225678512 568663543 /nfs/dbraw/zinc/66/35/43/568663543.db2.gz NQFZAMPGWOKSFE-UHFFFAOYSA-N 0 0 423.553 5.801 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCC2)ccc1O[C@@H](C)CC ZINC000225678552 568663625 /nfs/dbraw/zinc/66/36/25/568663625.db2.gz FNUPNJCRUVWRRO-IBGZPJMESA-N 0 0 423.553 5.800 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCC2)ccc1O[C@H](C)CC ZINC000225678601 568663554 /nfs/dbraw/zinc/66/35/54/568663554.db2.gz FNUPNJCRUVWRRO-LJQANCHMSA-N 0 0 423.553 5.800 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCC2)ccc1OCC(C)C ZINC000225678650 568663618 /nfs/dbraw/zinc/66/36/18/568663618.db2.gz LRCUGQAYZYPBLT-UHFFFAOYSA-N 0 0 423.553 5.657 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(Br)cc1F ZINC000225678855 568663483 /nfs/dbraw/zinc/66/34/83/568663483.db2.gz KKMSGFACQZLSTM-INIZCTEOSA-N 0 0 423.351 5.485 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(Br)cc1F ZINC000225678875 568663494 /nfs/dbraw/zinc/66/34/94/568663494.db2.gz KKMSGFACQZLSTM-MRXNPFEDSA-N 0 0 423.351 5.485 40 0 HKABRN COC(=O)c1cc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)ccc1Cl ZINC000225678909 568663489 /nfs/dbraw/zinc/66/34/89/568663489.db2.gz ZUHJESINDOBAIX-QGZVFWFLSA-N 0 0 418.946 5.024 40 0 HKABRN COC(=O)c1cc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)ccc1Cl ZINC000225678934 568663487 /nfs/dbraw/zinc/66/34/87/568663487.db2.gz ZUHJESINDOBAIX-KRWDZBQOSA-N 0 0 418.946 5.024 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 ZINC000225678971 568663508 /nfs/dbraw/zinc/66/35/08/568663508.db2.gz WUMXIINJACUGAM-QGZVFWFLSA-N 0 0 418.946 5.024 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 ZINC000225678995 568663623 /nfs/dbraw/zinc/66/36/23/568663623.db2.gz WUMXIINJACUGAM-KRWDZBQOSA-N 0 0 418.946 5.024 40 0 HKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000225679214 568663480 /nfs/dbraw/zinc/66/34/80/568663480.db2.gz IEQXNWAWXZOIDL-QGZVFWFLSA-N 0 0 401.919 5.271 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1C ZINC000225679237 568663628 /nfs/dbraw/zinc/66/36/28/568663628.db2.gz AGTAKJUKDNYKBT-LJQANCHMSA-N 0 0 412.555 5.069 40 0 HKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000225679238 568663578 /nfs/dbraw/zinc/66/35/78/568663578.db2.gz IEQXNWAWXZOIDL-KRWDZBQOSA-N 0 0 401.919 5.271 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1C ZINC000225679260 568663477 /nfs/dbraw/zinc/66/34/77/568663477.db2.gz AGTAKJUKDNYKBT-IBGZPJMESA-N 0 0 412.555 5.069 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 ZINC000225679306 568663612 /nfs/dbraw/zinc/66/36/12/568663612.db2.gz CDRPHKKRADYVLU-LJQANCHMSA-N 0 0 412.555 5.069 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 ZINC000225679328 568663470 /nfs/dbraw/zinc/66/34/70/568663470.db2.gz CDRPHKKRADYVLU-IBGZPJMESA-N 0 0 412.555 5.069 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c(C)c1 ZINC000225679369 568663586 /nfs/dbraw/zinc/66/35/86/568663586.db2.gz JWXDSMUPYJWQJA-LJQANCHMSA-N 0 0 412.555 5.069 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c(C)c1 ZINC000225679396 568663461 /nfs/dbraw/zinc/66/34/61/568663461.db2.gz JWXDSMUPYJWQJA-IBGZPJMESA-N 0 0 412.555 5.069 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c2ccccc12 ZINC000225679494 568663546 /nfs/dbraw/zinc/66/35/46/568663546.db2.gz HPRSOPNETUSYFT-UHFFFAOYSA-N 0 0 401.550 6.778 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c2ccccc12 ZINC000225679534 568663795 /nfs/dbraw/zinc/66/37/95/568663795.db2.gz OJZYCGDWDRRZNZ-HXUWFJFHSA-N 0 0 401.550 6.776 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c2ccccc12 ZINC000225679557 568663722 /nfs/dbraw/zinc/66/37/22/568663722.db2.gz OJZYCGDWDRRZNZ-FQEVSTJZSA-N 0 0 401.550 6.776 40 0 HKABRN Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CCCC2)c1 ZINC000225679599 568663763 /nfs/dbraw/zinc/66/37/63/568663763.db2.gz PXGIXSIZTGCBQQ-UHFFFAOYSA-N 0 0 401.550 6.634 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C(=O)OC ZINC000225679846 568663732 /nfs/dbraw/zinc/66/37/32/568663732.db2.gz CIVBLHDQNNUCOV-GOSISDBHSA-N 0 0 409.526 5.409 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(OC2CCCC2)cc1 ZINC000225679860 568663802 /nfs/dbraw/zinc/66/38/02/568663802.db2.gz YOECUKURSNLLKJ-NRFANRHFSA-N 0 0 410.583 5.905 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C(=O)OC ZINC000225679872 568663782 /nfs/dbraw/zinc/66/37/82/568663782.db2.gz CIVBLHDQNNUCOV-SFHVURJKSA-N 0 0 409.526 5.409 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(OC2CCCC2)cc1 ZINC000225679883 568663695 /nfs/dbraw/zinc/66/36/95/568663695.db2.gz YOECUKURSNLLKJ-OAQYLSRUSA-N 0 0 410.583 5.905 40 0 HKABRN COC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)ccc1OCC(C)C ZINC000225679908 568663759 /nfs/dbraw/zinc/66/37/59/568663759.db2.gz PMVAYKDQKNNZJM-UHFFFAOYSA-N 0 0 409.526 5.267 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000225679917 568663843 /nfs/dbraw/zinc/66/38/43/568663843.db2.gz DNIZNJIVINPFLK-IBGZPJMESA-N 0 0 423.582 5.019 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000225679955 568663789 /nfs/dbraw/zinc/66/37/89/568663789.db2.gz DNIZNJIVINPFLK-LJQANCHMSA-N 0 0 423.582 5.019 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C(=O)OC ZINC000225679959 568663866 /nfs/dbraw/zinc/66/38/66/568663866.db2.gz PDFDZNFOJZRNRD-UHFFFAOYSA-N 0 0 409.526 5.411 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000225679986 568663700 /nfs/dbraw/zinc/66/37/00/568663700.db2.gz NVODKCRNTSRMFQ-IBGZPJMESA-N 0 0 423.582 5.019 40 0 HKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000225680002 568663708 /nfs/dbraw/zinc/66/37/08/568663708.db2.gz NVODKCRNTSRMFQ-LJQANCHMSA-N 0 0 423.582 5.019 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C(=O)OCC ZINC000225680051 568663836 /nfs/dbraw/zinc/66/38/36/568663836.db2.gz KEOWFPZFWYPULU-UHFFFAOYSA-N 0 0 409.526 5.411 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)ccc1OC(C)C ZINC000225680080 568663861 /nfs/dbraw/zinc/66/38/61/568663861.db2.gz SRCBTBSXVOMIKJ-UHFFFAOYSA-N 0 0 409.526 5.409 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C(=O)OCC ZINC000225680110 568663846 /nfs/dbraw/zinc/66/38/46/568663846.db2.gz YYDYEHNETBMNIH-UHFFFAOYSA-N 0 0 423.553 5.801 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)ccc1O[C@@H](C)CC ZINC000225680129 568663786 /nfs/dbraw/zinc/66/37/86/568663786.db2.gz YDICNCZGBYWNCC-IBGZPJMESA-N 0 0 423.553 5.800 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)ccc1O[C@H](C)CC ZINC000225680152 521436788 /nfs/dbraw/zinc/43/67/88/521436788.db2.gz YDICNCZGBYWNCC-LJQANCHMSA-N 0 0 423.553 5.800 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)ccc1OCC(C)C ZINC000225680185 521437365 /nfs/dbraw/zinc/43/73/65/521437365.db2.gz QXJIZJWUBUODFJ-UHFFFAOYSA-N 0 0 423.553 5.657 40 0 HKABRN COc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c2cccnc12 ZINC000225680593 568663821 /nfs/dbraw/zinc/66/38/21/568663821.db2.gz ZRBXHGNIJZLSPJ-GOSISDBHSA-N 0 0 407.539 5.141 40 0 HKABRN COc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c2cccnc12 ZINC000225680612 568663701 /nfs/dbraw/zinc/66/37/01/568663701.db2.gz ZRBXHGNIJZLSPJ-SFHVURJKSA-N 0 0 407.539 5.141 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c2ccccc12 ZINC000225680927 520883757 /nfs/dbraw/zinc/88/37/57/520883757.db2.gz YCLZPDXISTZLIC-UHFFFAOYSA-N 0 0 401.550 6.778 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c2ccccc12 ZINC000225680969 522265584 /nfs/dbraw/zinc/26/55/84/522265584.db2.gz YQIOKTSXOSNIQV-HXUWFJFHSA-N 0 0 401.550 6.776 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)c1 ZINC000225680994 526248839 /nfs/dbraw/zinc/24/88/39/526248839.db2.gz XMCBTIWPZMBDHW-INIZCTEOSA-N 0 0 423.981 5.728 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c2ccccc12 ZINC000225680996 521769629 /nfs/dbraw/zinc/76/96/29/521769629.db2.gz YQIOKTSXOSNIQV-FQEVSTJZSA-N 0 0 401.550 6.776 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)c1 ZINC000225681022 568663947 /nfs/dbraw/zinc/66/39/47/568663947.db2.gz XMCBTIWPZMBDHW-MRXNPFEDSA-N 0 0 423.981 5.728 40 0 HKABRN Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CCCC2)cc1 ZINC000225681041 524228354 /nfs/dbraw/zinc/22/83/54/524228354.db2.gz IRZNPNWKCGLLKE-UHFFFAOYSA-N 0 0 401.550 6.634 40 0 HKABRN COc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(Br)c1)CC(C)(C)O2 ZINC000225681250 525573650 /nfs/dbraw/zinc/57/36/50/525573650.db2.gz WVRCKIIDPKKOBT-INIZCTEOSA-N 0 0 421.360 5.047 40 0 HKABRN COc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(Br)c1)CC(C)(C)O2 ZINC000225681280 525586846 /nfs/dbraw/zinc/58/68/46/525586846.db2.gz WVRCKIIDPKKOBT-MRXNPFEDSA-N 0 0 421.360 5.047 40 0 HKABRN COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(Br)cc1)CC(C)(C)O2 ZINC000225681314 525574897 /nfs/dbraw/zinc/57/48/97/525574897.db2.gz BSHIXXYNROCCOV-INIZCTEOSA-N 0 0 421.360 5.047 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C(=O)OC ZINC000225681333 522264869 /nfs/dbraw/zinc/26/48/69/522264869.db2.gz SLYGFTGBRXAMCI-MRXNPFEDSA-N 0 0 413.489 5.240 40 0 HKABRN COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(Br)cc1)CC(C)(C)O2 ZINC000225681341 568664039 /nfs/dbraw/zinc/66/40/39/568664039.db2.gz BSHIXXYNROCCOV-MRXNPFEDSA-N 0 0 421.360 5.047 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C(=O)OC ZINC000225681360 521767809 /nfs/dbraw/zinc/76/78/09/521767809.db2.gz SLYGFTGBRXAMCI-INIZCTEOSA-N 0 0 413.489 5.240 40 0 HKABRN COC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCC2)ccc1OCC(C)C ZINC000225681403 521879189 /nfs/dbraw/zinc/87/91/89/521879189.db2.gz AWLKHCLGLOCLSD-UHFFFAOYSA-N 0 0 413.489 5.098 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C(=O)OC ZINC000225681440 568663978 /nfs/dbraw/zinc/66/39/78/568663978.db2.gz SKUKHXHRTFVESO-UHFFFAOYSA-N 0 0 413.489 5.242 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C(=O)OCC ZINC000225681569 568663943 /nfs/dbraw/zinc/66/39/43/568663943.db2.gz ZWOZWKBXIKCTHL-UHFFFAOYSA-N 0 0 413.489 5.242 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCC2)ccc1OC(C)C ZINC000225681610 521439248 /nfs/dbraw/zinc/43/92/48/521439248.db2.gz YKCRGMWTMGKFKE-UHFFFAOYSA-N 0 0 413.489 5.240 40 0 HKABRN COc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)CC(C)(C)O2 ZINC000225681694 525574934 /nfs/dbraw/zinc/57/49/34/525574934.db2.gz IIPHHCAMZBSACC-INIZCTEOSA-N 0 0 410.461 5.303 40 0 HKABRN COc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)CC(C)(C)O2 ZINC000225681718 525587335 /nfs/dbraw/zinc/58/73/35/525587335.db2.gz IIPHHCAMZBSACC-MRXNPFEDSA-N 0 0 410.461 5.303 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c2ccccc12 ZINC000225682541 520885597 /nfs/dbraw/zinc/88/55/97/520885597.db2.gz LDFHGOCTCNOUJC-UHFFFAOYSA-N 0 0 405.513 6.608 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c2ccccc12 ZINC000225682583 522265249 /nfs/dbraw/zinc/26/52/49/522265249.db2.gz DNODRESAULILOT-GOSISDBHSA-N 0 0 405.513 6.607 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c2ccccc12 ZINC000225682610 521767980 /nfs/dbraw/zinc/76/79/80/521767980.db2.gz DNODRESAULILOT-SFHVURJKSA-N 0 0 405.513 6.607 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c2ccccc12 ZINC000225682645 519763175 /nfs/dbraw/zinc/76/31/75/519763175.db2.gz JUAPLKLUMKAMHE-UHFFFAOYSA-N 0 0 405.513 6.464 40 0 HKABRN COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)CC(C)(C)O2 ZINC000225682860 568664070 /nfs/dbraw/zinc/66/40/70/568664070.db2.gz YIXUBQIQBNUZMO-INIZCTEOSA-N 0 0 410.461 5.303 40 0 HKABRN COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)CC(C)(C)O2 ZINC000225682883 525586552 /nfs/dbraw/zinc/58/65/52/525586552.db2.gz YIXUBQIQBNUZMO-MRXNPFEDSA-N 0 0 410.461 5.303 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C(=O)OC ZINC000225682917 568663948 /nfs/dbraw/zinc/66/39/48/568663948.db2.gz RHSPSMDYBSEDNZ-MRXNPFEDSA-N 0 0 413.489 5.240 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C(=O)OC ZINC000225682946 521768280 /nfs/dbraw/zinc/76/82/80/521768280.db2.gz RHSPSMDYBSEDNZ-INIZCTEOSA-N 0 0 413.489 5.240 40 0 HKABRN COC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)ccc1OCC(C)C ZINC000225682987 521878768 /nfs/dbraw/zinc/87/87/68/521878768.db2.gz GBTRIQCVKFJOCO-UHFFFAOYSA-N 0 0 413.489 5.098 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C(=O)OC ZINC000225683025 520883178 /nfs/dbraw/zinc/88/31/78/520883178.db2.gz KZJFCKJIHVULQC-UHFFFAOYSA-N 0 0 413.489 5.242 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C(=O)OCC ZINC000225683143 520388198 /nfs/dbraw/zinc/38/81/98/520388198.db2.gz JFCVXCICMWJUSO-UHFFFAOYSA-N 0 0 413.489 5.242 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)ccc1OC(C)C ZINC000225683189 521436643 /nfs/dbraw/zinc/43/66/43/521436643.db2.gz QQSMLAGXZQTFAE-UHFFFAOYSA-N 0 0 413.489 5.240 40 0 HKABRN COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(OC(C)C)cc1)CC(C)(C)O2 ZINC000225683885 568664146 /nfs/dbraw/zinc/66/41/46/568664146.db2.gz RSPSFDGJFNHBMX-IBGZPJMESA-N 0 0 400.544 5.071 40 0 HKABRN COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(OC(C)C)cc1)CC(C)(C)O2 ZINC000225683913 568664151 /nfs/dbraw/zinc/66/41/51/568664151.db2.gz RSPSFDGJFNHBMX-LJQANCHMSA-N 0 0 400.544 5.071 40 0 HKABRN COc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(OC(C)C)c1)CC(C)(C)O2 ZINC000225683950 568664199 /nfs/dbraw/zinc/66/41/99/568664199.db2.gz GOSISDHXGKCEGI-IBGZPJMESA-N 0 0 400.544 5.071 40 0 HKABRN COc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(OC(C)C)c1)CC(C)(C)O2 ZINC000225683977 568664136 /nfs/dbraw/zinc/66/41/36/568664136.db2.gz GOSISDHXGKCEGI-LJQANCHMSA-N 0 0 400.544 5.071 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c2ccccc12 ZINC000225684158 568664201 /nfs/dbraw/zinc/66/42/01/568664201.db2.gz NEFVBJXNWCXTIC-UHFFFAOYSA-N 0 0 405.513 6.608 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c2ccccc12 ZINC000225684201 568664195 /nfs/dbraw/zinc/66/41/95/568664195.db2.gz PTUYEIWQKJNUCS-GOSISDBHSA-N 0 0 405.513 6.607 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c2ccccc12 ZINC000225684225 568664200 /nfs/dbraw/zinc/66/42/00/568664200.db2.gz PTUYEIWQKJNUCS-SFHVURJKSA-N 0 0 405.513 6.607 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c2ccccc12 ZINC000225684260 519763180 /nfs/dbraw/zinc/76/31/80/519763180.db2.gz DJLJTDLZOIPOGJ-UHFFFAOYSA-N 0 0 405.513 6.464 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C(F)(F)F ZINC000225684335 568664182 /nfs/dbraw/zinc/66/41/82/568664182.db2.gz DZSGWRQOXCFPDF-UHFFFAOYSA-N 0 0 411.851 6.208 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C(=O)OC ZINC000225684466 520389241 /nfs/dbraw/zinc/38/92/41/520389241.db2.gz UKWPXOJZVLWFHV-UHFFFAOYSA-N 0 0 415.917 5.366 40 0 HKABRN COC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1OC(C)C ZINC000225684503 568664110 /nfs/dbraw/zinc/66/41/10/568664110.db2.gz WGZRXZNHPFOCCX-UHFFFAOYSA-N 0 0 415.917 5.364 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1OCC ZINC000225684739 521437308 /nfs/dbraw/zinc/43/73/08/521437308.db2.gz GJHKOCUAPLCJTM-UHFFFAOYSA-N 0 0 415.917 5.366 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cccc(Br)c1 ZINC000225685672 568664169 /nfs/dbraw/zinc/66/41/69/568664169.db2.gz LFBYUDBEEZPEJX-INIZCTEOSA-N 0 0 421.360 5.047 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(Br)c1 ZINC000225685698 525552796 /nfs/dbraw/zinc/55/27/96/525552796.db2.gz LFBYUDBEEZPEJX-MRXNPFEDSA-N 0 0 421.360 5.047 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2ccccc12 ZINC000225685713 568664165 /nfs/dbraw/zinc/66/41/65/568664165.db2.gz YSEQWZQWQNNITK-UHFFFAOYSA-N 0 0 407.941 6.733 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(Br)cc1 ZINC000225685737 568664186 /nfs/dbraw/zinc/66/41/86/568664186.db2.gz FWSSSDFDVWARJF-INIZCTEOSA-N 0 0 421.360 5.047 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2ccccc12 ZINC000225685753 568664194 /nfs/dbraw/zinc/66/41/94/568664194.db2.gz NIZKLRCQXVZNOQ-UHFFFAOYSA-N 0 0 407.941 6.731 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(Br)cc1 ZINC000225685765 568664193 /nfs/dbraw/zinc/66/41/93/568664193.db2.gz FWSSSDFDVWARJF-MRXNPFEDSA-N 0 0 421.360 5.047 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2ccccc12 ZINC000225685788 520882893 /nfs/dbraw/zinc/88/28/93/520882893.db2.gz NYDLAPJCUWROFM-UHFFFAOYSA-N 0 0 421.968 7.123 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2ccccc12 ZINC000225685824 522265602 /nfs/dbraw/zinc/26/56/02/522265602.db2.gz RUWMUKJQQXBFOR-GOSISDBHSA-N 0 0 421.968 7.121 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2ccccc12 ZINC000225685838 568664206 /nfs/dbraw/zinc/66/42/06/568664206.db2.gz RUWMUKJQQXBFOR-SFHVURJKSA-N 0 0 421.968 7.121 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2ccccc12 ZINC000225685861 568664117 /nfs/dbraw/zinc/66/41/17/568664117.db2.gz PDHDTGZIWWJDFH-UHFFFAOYSA-N 0 0 421.968 6.979 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000225685965 568664156 /nfs/dbraw/zinc/66/41/56/568664156.db2.gz SUSIHJLBGWFOFU-INIZCTEOSA-N 0 0 410.461 5.303 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000225685977 568664204 /nfs/dbraw/zinc/66/42/04/568664204.db2.gz SUSIHJLBGWFOFU-MRXNPFEDSA-N 0 0 410.461 5.303 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C(F)(F)F ZINC000225686067 568664192 /nfs/dbraw/zinc/66/41/92/568664192.db2.gz HHRMZQRZRGYPIG-UHFFFAOYSA-N 0 0 411.851 6.208 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C(=O)OC ZINC000225686194 568664149 /nfs/dbraw/zinc/66/41/49/568664149.db2.gz CZYFGNWFUGJHJN-UHFFFAOYSA-N 0 0 415.917 5.366 40 0 HKABRN COC(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CCCC2)ccc1OC(C)C ZINC000225686234 521878119 /nfs/dbraw/zinc/87/81/19/521878119.db2.gz QRXDCNIVLSWPFV-UHFFFAOYSA-N 0 0 415.917 5.364 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000225686949 568664364 /nfs/dbraw/zinc/66/43/64/568664364.db2.gz MUOIFNCUADEHPO-INIZCTEOSA-N 0 0 410.461 5.303 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000225686973 568664412 /nfs/dbraw/zinc/66/44/12/568664412.db2.gz MUOIFNCUADEHPO-MRXNPFEDSA-N 0 0 410.461 5.303 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(OC(C)C)cc1 ZINC000225687944 568664332 /nfs/dbraw/zinc/66/43/32/568664332.db2.gz YVVZYWAKEFEWIK-IBGZPJMESA-N 0 0 400.544 5.071 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(OC(C)C)cc1 ZINC000225687975 525553637 /nfs/dbraw/zinc/55/36/37/525553637.db2.gz YVVZYWAKEFEWIK-LJQANCHMSA-N 0 0 400.544 5.071 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cccc(OC(C)C)c1 ZINC000225688011 525553786 /nfs/dbraw/zinc/55/37/86/525553786.db2.gz PBDYYZWAFMMVSR-IBGZPJMESA-N 0 0 400.544 5.071 40 0 HKABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(OC(C)C)c1 ZINC000225688043 568664425 /nfs/dbraw/zinc/66/44/25/568664425.db2.gz PBDYYZWAFMMVSR-LJQANCHMSA-N 0 0 400.544 5.071 40 0 HKABRN CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(C)c(OC)cc3C)ccc21 ZINC000225691624 568664836 /nfs/dbraw/zinc/66/48/36/568664836.db2.gz AUTSYTGFHUHVGC-UHFFFAOYSA-N 0 0 408.523 5.241 40 0 HKABRN CCOC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1Cl ZINC000225693180 568665011 /nfs/dbraw/zinc/66/50/11/568665011.db2.gz QCWJLRZPBYJLOT-UHFFFAOYSA-N 0 0 416.301 5.181 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC000225694001 568665016 /nfs/dbraw/zinc/66/50/16/568665016.db2.gz XAVZVVXSQWMPPZ-IBGZPJMESA-N 0 0 408.542 5.151 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC000225694022 568664943 /nfs/dbraw/zinc/66/49/43/568664943.db2.gz XAVZVVXSQWMPPZ-LJQANCHMSA-N 0 0 408.542 5.151 40 0 HKABRN COc1cc(C)c(S(=O)(=O)NCCCc2cccc3ccccc32)cc1C(C)C ZINC000225695181 522222084 /nfs/dbraw/zinc/22/20/84/522222084.db2.gz ATXSMWIOFIAUEM-UHFFFAOYSA-N 0 0 411.567 5.191 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCSCc2cccc(Cl)c2)c1 ZINC000225696253 568665300 /nfs/dbraw/zinc/66/53/00/568665300.db2.gz AWBYSLQXXKMDLI-KRWDZBQOSA-N 0 0 405.991 5.589 40 0 HKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCSCc2cccc(Cl)c2)c1 ZINC000225696280 568665220 /nfs/dbraw/zinc/66/52/20/568665220.db2.gz AWBYSLQXXKMDLI-QGZVFWFLSA-N 0 0 405.991 5.589 40 0 HKABRN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 ZINC000225697085 521628736 /nfs/dbraw/zinc/62/87/36/521628736.db2.gz WBNHXSCWLYRYGX-UHFFFAOYSA-N 0 0 411.586 6.380 40 0 HKABRN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1 ZINC000225697486 521628144 /nfs/dbraw/zinc/62/81/44/521628144.db2.gz FMXQTMWBLLSLAG-KRWDZBQOSA-N 0 0 413.986 5.560 40 0 HKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000225697508 568665536 /nfs/dbraw/zinc/66/55/36/568665536.db2.gz JZPWOTCAOGSJKO-UHFFFAOYSA-N 0 0 418.276 6.055 40 0 HKABRN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1 ZINC000225697512 568665586 /nfs/dbraw/zinc/66/55/86/568665586.db2.gz FMXQTMWBLLSLAG-QGZVFWFLSA-N 0 0 413.986 5.560 40 0 HKABRN Cc1cccc([C@@H](NC(=S)Nc2cccc(Br)c2)c2ccccc2)c1 ZINC000225698039 568665521 /nfs/dbraw/zinc/66/55/21/568665521.db2.gz QKYDKKIKKFGHMG-FQEVSTJZSA-N 0 0 411.368 5.834 40 0 HKABRN Cc1cccc([C@H](NC(=S)Nc2cccc(Br)c2)c2ccccc2)c1 ZINC000225698061 568665534 /nfs/dbraw/zinc/66/55/34/568665534.db2.gz QKYDKKIKKFGHMG-HXUWFJFHSA-N 0 0 411.368 5.834 40 0 HKABRN Cc1cccc([C@@H](NC(=S)Nc2ccc(Br)cc2)c2ccccc2)c1 ZINC000225698096 568665541 /nfs/dbraw/zinc/66/55/41/568665541.db2.gz SNNLGQCPITXHNP-FQEVSTJZSA-N 0 0 411.368 5.834 40 0 HKABRN Cc1cccc([C@H](NC(=S)Nc2ccc(Br)cc2)c2ccccc2)c1 ZINC000225698119 568665572 /nfs/dbraw/zinc/66/55/72/568665572.db2.gz SNNLGQCPITXHNP-HXUWFJFHSA-N 0 0 411.368 5.834 40 0 HKABRN Cc1cccc([C@@H](NC(=S)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1 ZINC000225698470 568665549 /nfs/dbraw/zinc/66/55/49/568665549.db2.gz RXAGNOUGMAHPPB-FQEVSTJZSA-N 0 0 400.469 6.090 40 0 HKABRN Cc1cccc([C@H](NC(=S)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1 ZINC000225698496 568665606 /nfs/dbraw/zinc/66/56/06/568665606.db2.gz RXAGNOUGMAHPPB-HXUWFJFHSA-N 0 0 400.469 6.090 40 0 HKABRN CCc1ccc(CC)c(CNC(=O)COc2ccc(C(C)C)cc2Br)c1 ZINC000225699205 523911689 /nfs/dbraw/zinc/91/16/89/523911689.db2.gz KNKHBJOYZAVXOV-UHFFFAOYSA-N 0 0 418.375 5.393 40 0 HKABRN COC(=O)c1ccc(C)c(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c1 ZINC000225699291 521988352 /nfs/dbraw/zinc/98/83/52/521988352.db2.gz RGLVJSNRSIBQOF-QFIPXVFZSA-N 0 0 404.535 5.166 40 0 HKABRN COC(=O)c1ccc(C)c(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c1 ZINC000225699317 568665776 /nfs/dbraw/zinc/66/57/76/568665776.db2.gz RGLVJSNRSIBQOF-JOCHJYFZSA-N 0 0 404.535 5.166 40 0 HKABRN COC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c1C ZINC000225699607 522240106 /nfs/dbraw/zinc/24/01/06/522240106.db2.gz KWBHPUZURYGVCW-QFIPXVFZSA-N 0 0 404.535 5.166 40 0 HKABRN COC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c1C ZINC000225699633 568665790 /nfs/dbraw/zinc/66/57/90/568665790.db2.gz KWBHPUZURYGVCW-JOCHJYFZSA-N 0 0 404.535 5.166 40 0 HKABRN Cc1cccc([C@@H](NC(=S)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)c1 ZINC000225699670 524837562 /nfs/dbraw/zinc/83/75/62/524837562.db2.gz NISRCVGDPOYTBA-FQEVSTJZSA-N 0 0 400.469 6.090 40 0 HKABRN Cc1cccc([C@H](NC(=S)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)c1 ZINC000225699692 568665655 /nfs/dbraw/zinc/66/56/55/568665655.db2.gz NISRCVGDPOYTBA-HXUWFJFHSA-N 0 0 400.469 6.090 40 0 HKABRN COC(=O)c1cc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)ccc1Cl ZINC000225699988 568665786 /nfs/dbraw/zinc/66/57/86/568665786.db2.gz UOIDRYOPIZSPBZ-NRFANRHFSA-N 0 0 424.953 5.511 40 0 HKABRN COC(=O)c1cc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)ccc1Cl ZINC000225700012 568665716 /nfs/dbraw/zinc/66/57/16/568665716.db2.gz UOIDRYOPIZSPBZ-OAQYLSRUSA-N 0 0 424.953 5.511 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c1 ZINC000225700053 568665669 /nfs/dbraw/zinc/66/56/69/568665669.db2.gz IJDUETIBTVQVLS-NRFANRHFSA-N 0 0 424.953 5.511 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c1 ZINC000225700077 568665711 /nfs/dbraw/zinc/66/57/11/568665711.db2.gz IJDUETIBTVQVLS-OAQYLSRUSA-N 0 0 424.953 5.511 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c1 ZINC000225700237 568665818 /nfs/dbraw/zinc/66/58/18/568665818.db2.gz XKCYOPVLSODDMF-QFIPXVFZSA-N 0 0 404.535 5.248 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c1 ZINC000225700263 568665784 /nfs/dbraw/zinc/66/57/84/568665784.db2.gz XKCYOPVLSODDMF-JOCHJYFZSA-N 0 0 404.535 5.248 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c1C ZINC000225700300 568665739 /nfs/dbraw/zinc/66/57/39/568665739.db2.gz WANCIOTYWIOVOM-QHCPKHFHSA-N 0 0 418.562 5.556 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c1C ZINC000225700328 568665719 /nfs/dbraw/zinc/66/57/19/568665719.db2.gz WANCIOTYWIOVOM-HSZRJFAPSA-N 0 0 418.562 5.556 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c1 ZINC000225700368 568665800 /nfs/dbraw/zinc/66/58/00/568665800.db2.gz HIPAFMAOCOFESO-QHCPKHFHSA-N 0 0 418.562 5.556 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c1 ZINC000225700393 521471780 /nfs/dbraw/zinc/47/17/80/521471780.db2.gz HIPAFMAOCOFESO-HSZRJFAPSA-N 0 0 418.562 5.556 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c(C)c1 ZINC000225700430 568665787 /nfs/dbraw/zinc/66/57/87/568665787.db2.gz DCGILEZPQOMUFU-QHCPKHFHSA-N 0 0 418.562 5.556 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c(C)c1 ZINC000225700457 521516796 /nfs/dbraw/zinc/51/67/96/521516796.db2.gz DCGILEZPQOMUFU-HSZRJFAPSA-N 0 0 418.562 5.556 40 0 HKABRN Cc1cccc([C@@H](NC(=S)Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1 ZINC000225700491 568665758 /nfs/dbraw/zinc/66/57/58/568665758.db2.gz HRIHSLJGXRUHFA-DEOSSOPVSA-N 0 0 415.562 5.198 40 0 HKABRN Cc1cccc([C@H](NC(=S)Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1 ZINC000225700514 568665762 /nfs/dbraw/zinc/66/57/62/568665762.db2.gz HRIHSLJGXRUHFA-XMMPIXPASA-N 0 0 415.562 5.198 40 0 HKABRN Cc1cccc([C@@H](NC(=S)Nc2ccc(OC3CCCC3)cc2)c2ccccc2)c1 ZINC000225701007 568666019 /nfs/dbraw/zinc/66/60/19/568666019.db2.gz FBRQKDMFFWKCMR-VWLOTQADSA-N 0 0 416.590 6.392 40 0 HKABRN Cc1cccc([C@H](NC(=S)Nc2ccc(OC3CCCC3)cc2)c2ccccc2)c1 ZINC000225701029 568666053 /nfs/dbraw/zinc/66/60/53/568666053.db2.gz FBRQKDMFFWKCMR-RUZDIDTESA-N 0 0 416.590 6.392 40 0 HKABRN Cc1ccc(C)c([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c1 ZINC000225701170 524201543 /nfs/dbraw/zinc/20/15/43/524201543.db2.gz WGVDBBMONSXJHD-IQJJTXKVSA-N 0 0 418.562 5.322 40 0 HKABRN Cc1ccc(C)c([C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c1 ZINC000225701198 568665924 /nfs/dbraw/zinc/66/59/24/568665924.db2.gz WGVDBBMONSXJHD-MIDMBNTASA-N 0 0 418.562 5.322 40 0 HKABRN Cc1cccc([C@@H](NC(=S)Nc2cccc(N3CCCC3=O)c2)c2ccccc2)c1 ZINC000225701209 568666096 /nfs/dbraw/zinc/66/60/96/568666096.db2.gz GQBQEWFZRMDVTJ-DEOSSOPVSA-N 0 0 415.562 5.198 40 0 HKABRN Cc1cccc([C@H](NC(=S)Nc2cccc(N3CCCC3=O)c2)c2ccccc2)c1 ZINC000225701240 568666109 /nfs/dbraw/zinc/66/61/09/568666109.db2.gz GQBQEWFZRMDVTJ-XMMPIXPASA-N 0 0 415.562 5.198 40 0 HKABRN COc1ccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c2cccnc12 ZINC000225701916 524665857 /nfs/dbraw/zinc/66/58/57/524665857.db2.gz GYXZVZGEJYVFBA-QHCPKHFHSA-N 0 0 413.546 5.628 40 0 HKABRN COc1ccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c2cccnc12 ZINC000225701939 524665271 /nfs/dbraw/zinc/66/52/71/524665271.db2.gz GYXZVZGEJYVFBA-HSZRJFAPSA-N 0 0 413.546 5.628 40 0 HKABRN CCc1ccc([C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000225702955 568665983 /nfs/dbraw/zinc/66/59/83/568665983.db2.gz IHYZNXPKRUGVOY-LJQANCHMSA-N 0 0 405.563 5.911 40 0 HKABRN CCc1ccc([C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000225702977 524045228 /nfs/dbraw/zinc/04/52/28/524045228.db2.gz IHYZNXPKRUGVOY-IBGZPJMESA-N 0 0 405.563 5.911 40 0 HKABRN COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(Br)c(C)c1 ZINC000225703253 568665981 /nfs/dbraw/zinc/66/59/81/568665981.db2.gz DGWVREVRICJWGA-SFHVURJKSA-N 0 0 405.361 5.130 40 0 HKABRN COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(Br)c(C)c1 ZINC000225703280 525524084 /nfs/dbraw/zinc/52/40/84/525524084.db2.gz DGWVREVRICJWGA-GOSISDBHSA-N 0 0 405.361 5.130 40 0 HKABRN COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225703322 518162782 /nfs/dbraw/zinc/16/27/82/518162782.db2.gz NGHSPRRIMWICBI-KRWDZBQOSA-N 0 0 414.880 5.731 40 0 HKABRN COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225703351 568666056 /nfs/dbraw/zinc/66/60/56/568666056.db2.gz NGHSPRRIMWICBI-QGZVFWFLSA-N 0 0 414.880 5.731 40 0 HKABRN CC(C)(Cc1ccccc1)NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000225704568 568666294 /nfs/dbraw/zinc/66/62/94/568666294.db2.gz DSFGQPXHNVTBAU-UHFFFAOYSA-N 0 0 405.563 5.609 40 0 HKABRN CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1 ZINC000225705629 520296365 /nfs/dbraw/zinc/29/63/65/520296365.db2.gz HMUDUULXMVOAKP-JOCHJYFZSA-N 0 0 413.986 5.848 40 0 HKABRN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1 ZINC000225705659 568666379 /nfs/dbraw/zinc/66/63/79/568666379.db2.gz HMUDUULXMVOAKP-QFIPXVFZSA-N 0 0 413.986 5.848 40 0 HKABRN Cc1ccc([C@@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1C ZINC000225706482 525720505 /nfs/dbraw/zinc/72/05/05/525720505.db2.gz GLSCCRDPPTWEQQ-LJQANCHMSA-N 0 0 406.620 6.643 40 0 HKABRN Cc1ccc([C@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1C ZINC000225706503 525914257 /nfs/dbraw/zinc/91/42/57/525914257.db2.gz GLSCCRDPPTWEQQ-IBGZPJMESA-N 0 0 406.620 6.643 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c2ccccc2O1 ZINC000225707480 521691475 /nfs/dbraw/zinc/69/14/75/521691475.db2.gz KNLHEKDJKROJNR-WZONZLPQSA-N 0 0 403.522 5.806 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c2ccccc2O1 ZINC000225707510 568666365 /nfs/dbraw/zinc/66/63/65/568666365.db2.gz KNLHEKDJKROJNR-JPYJTQIMSA-N 0 0 403.522 5.806 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c2ccccc2O1 ZINC000225707539 521691445 /nfs/dbraw/zinc/69/14/45/521691445.db2.gz KNLHEKDJKROJNR-FDDCHVKYSA-N 0 0 403.522 5.806 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c2ccccc2O1 ZINC000225707562 568666396 /nfs/dbraw/zinc/66/63/96/568666396.db2.gz KNLHEKDJKROJNR-MBSDFSHPSA-N 0 0 403.522 5.806 40 0 HKABRN CC(C)n1c2ccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)cc2sc1=O ZINC000225709687 568666573 /nfs/dbraw/zinc/66/65/73/568666573.db2.gz CXVQZFJLCZVSOG-UHFFFAOYSA-N 0 0 424.547 5.112 40 0 HKABRN CC[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C)c(C)c1 ZINC000225710624 568666448 /nfs/dbraw/zinc/66/64/48/568666448.db2.gz OUYDHIRBFTUWSI-QGZVFWFLSA-N 0 0 400.897 6.413 40 0 HKABRN CC[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C)c(C)c1 ZINC000225710657 568666647 /nfs/dbraw/zinc/66/66/47/568666647.db2.gz OUYDHIRBFTUWSI-KRWDZBQOSA-N 0 0 400.897 6.413 40 0 HKABRN CC[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(C)c(C)c1 ZINC000225710754 568666471 /nfs/dbraw/zinc/66/64/71/568666471.db2.gz DJAHHWBSYCYTBZ-XMMPIXPASA-N 0 0 420.647 7.033 40 0 HKABRN CC[C@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(C)c(C)c1 ZINC000225710785 522557365 /nfs/dbraw/zinc/55/73/65/522557365.db2.gz DJAHHWBSYCYTBZ-DEOSSOPVSA-N 0 0 420.647 7.033 40 0 HKABRN CC[C@@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(C)c(C)c1 ZINC000225711133 568666490 /nfs/dbraw/zinc/66/64/90/568666490.db2.gz AKESGQDQYVZUBN-QGZVFWFLSA-N 0 0 411.796 6.157 40 0 HKABRN CC[C@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(C)c(C)c1 ZINC000225711159 522555924 /nfs/dbraw/zinc/55/59/24/522555924.db2.gz AKESGQDQYVZUBN-KRWDZBQOSA-N 0 0 411.796 6.157 40 0 HKABRN CCOC(=O)c1cc(NC(=S)N[C@@H](CC)c2ccc(C)c(C)c2)ccc1Cl ZINC000225711834 568666798 /nfs/dbraw/zinc/66/67/98/568666798.db2.gz IMAUYZSAJXHZFN-IBGZPJMESA-N 0 0 404.963 5.571 40 0 HKABRN CCOC(=O)c1cc(NC(=S)N[C@H](CC)c2ccc(C)c(C)c2)ccc1Cl ZINC000225711849 521443055 /nfs/dbraw/zinc/44/30/55/521443055.db2.gz IMAUYZSAJXHZFN-LJQANCHMSA-N 0 0 404.963 5.571 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@@H](CC)c2ccc(C)c(C)c2)cc1Cl ZINC000225711875 568666886 /nfs/dbraw/zinc/66/68/86/568666886.db2.gz SWCXUVQHIAWARY-IBGZPJMESA-N 0 0 404.963 5.571 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@H](CC)c2ccc(C)c(C)c2)cc1Cl ZINC000225711890 521515854 /nfs/dbraw/zinc/51/58/54/521515854.db2.gz SWCXUVQHIAWARY-LJQANCHMSA-N 0 0 404.963 5.571 40 0 HKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000225711934 521829246 /nfs/dbraw/zinc/82/92/46/521829246.db2.gz RTQGOWVDZJDVFU-DEOSSOPVSA-N 0 0 422.613 5.249 40 0 HKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000225711952 568666885 /nfs/dbraw/zinc/66/68/85/568666885.db2.gz RTQGOWVDZJDVFU-XMMPIXPASA-N 0 0 422.613 5.249 40 0 HKABRN CCOC1(C(=O)Nc2ccc(OCCC(C)(C)OC)c(Cl)c2)CCCCCC1 ZINC000225712291 568666861 /nfs/dbraw/zinc/66/68/61/568666861.db2.gz DCZKJYXNVMFEQA-UHFFFAOYSA-N 0 0 411.970 5.602 40 0 HKABRN CC[C@@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(C)c(C)c1 ZINC000225712424 568666887 /nfs/dbraw/zinc/66/68/87/568666887.db2.gz RPTJHUBUZMBOOL-JOCHJYFZSA-N 0 0 409.599 5.367 40 0 HKABRN CC[C@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(C)c(C)c1 ZINC000225712451 568666831 /nfs/dbraw/zinc/66/68/31/568666831.db2.gz RPTJHUBUZMBOOL-QFIPXVFZSA-N 0 0 409.599 5.367 40 0 HKABRN CC[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C)cc1C ZINC000225714947 568667075 /nfs/dbraw/zinc/66/70/75/568667075.db2.gz JQLASAOUGBOYBA-QGZVFWFLSA-N 0 0 400.897 6.413 40 0 HKABRN CC[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C)cc1C ZINC000225714970 568666990 /nfs/dbraw/zinc/66/69/90/568666990.db2.gz JQLASAOUGBOYBA-KRWDZBQOSA-N 0 0 400.897 6.413 40 0 HKABRN CC[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(C)cc1C ZINC000225715059 568667124 /nfs/dbraw/zinc/66/71/24/568667124.db2.gz LAMHRVQUGJNVIR-XMMPIXPASA-N 0 0 420.647 7.033 40 0 HKABRN CC[C@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(C)cc1C ZINC000225715087 568667026 /nfs/dbraw/zinc/66/70/26/568667026.db2.gz LAMHRVQUGJNVIR-DEOSSOPVSA-N 0 0 420.647 7.033 40 0 HKABRN CC[C@@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(C)cc1C ZINC000225715512 568666976 /nfs/dbraw/zinc/66/69/76/568666976.db2.gz PNLCXZZPWUHQDM-QGZVFWFLSA-N 0 0 411.796 6.157 40 0 HKABRN CC[C@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(C)cc1C ZINC000225715539 568667092 /nfs/dbraw/zinc/66/70/92/568667092.db2.gz PNLCXZZPWUHQDM-KRWDZBQOSA-N 0 0 411.796 6.157 40 0 HKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225716262 568667293 /nfs/dbraw/zinc/66/72/93/568667293.db2.gz WCSVYJUNXLYSPK-DEOSSOPVSA-N 0 0 408.586 5.075 40 0 HKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000225716293 568667334 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CC[C@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(C)cc1C ZINC000225717030 568667168 /nfs/dbraw/zinc/66/71/68/568667168.db2.gz USNHJUUEXGMNOE-QFIPXVFZSA-N 0 0 409.599 5.367 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)/C(=C/c2ccco2)c2ccccc2)c2ccccc2O1 ZINC000225717291 568667200 /nfs/dbraw/zinc/66/72/00/568667200.db2.gz POAUQOYCXZUJDP-YHBLIXGUSA-N 0 0 401.506 6.019 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)/C(=C/c2ccco2)c2ccccc2)c2ccccc2O1 ZINC000225717319 568667341 /nfs/dbraw/zinc/66/73/41/568667341.db2.gz POAUQOYCXZUJDP-UCPLLFFYSA-N 0 0 401.506 6.019 40 0 HKABRN CCSc1nnc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)s1 ZINC000225717459 521794500 /nfs/dbraw/zinc/79/45/00/521794500.db2.gz WJAHHSIMBOCWDQ-NTCAYCPXSA-N 0 0 401.944 5.483 40 0 HKABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000225717899 568667338 /nfs/dbraw/zinc/66/73/38/568667338.db2.gz ZNAORSWKQNEDJK-VWLOTQADSA-N 0 0 416.565 5.104 40 0 HKABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc21 ZINC000225717933 568667183 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CCO[C@@]1(C(=O)Nc2ccc(OCCC(C)(C)OC)c(Cl)c2)CCC[C@H](C)C1 ZINC000225718981 520456456 /nfs/dbraw/zinc/45/64/56/520456456.db2.gz XIILMYQAISAILG-AOMKIAJQSA-N 0 0 411.970 5.458 40 0 HKABRN CCO[C@]1(C(=O)Nc2ccc(OCCC(C)(C)OC)c(Cl)c2)CCC[C@H](C)C1 ZINC000225719009 520588727 /nfs/dbraw/zinc/58/87/27/520588727.db2.gz XIILMYQAISAILG-KSFYIVLOSA-N 0 0 411.970 5.458 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000225720327 523043815 /nfs/dbraw/zinc/04/38/15/523043815.db2.gz RUKVWYCPOQALAM-DNQXCXABSA-N 0 0 421.581 5.922 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000225720356 568667676 /nfs/dbraw/zinc/66/76/76/568667676.db2.gz RUKVWYCPOQALAM-RPWUZVMVSA-N 0 0 421.581 5.922 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 ZINC000225720383 568667667 /nfs/dbraw/zinc/66/76/67/568667667.db2.gz RUKVWYCPOQALAM-BJKOFHAPSA-N 0 0 421.581 5.922 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 ZINC000225720410 568667831 /nfs/dbraw/zinc/66/78/31/568667831.db2.gz RUKVWYCPOQALAM-ZEQRLZLVSA-N 0 0 421.581 5.922 40 0 HKABRN CC[C@@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(OC)c(OC)c1 ZINC000225720912 568667815 /nfs/dbraw/zinc/66/78/15/568667815.db2.gz QJCCQCUCYUHJBC-HXUWFJFHSA-N 0 0 414.571 5.463 40 0 HKABRN CC[C@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(OC)c(OC)c1 ZINC000225720939 568667717 /nfs/dbraw/zinc/66/77/17/568667717.db2.gz QJCCQCUCYUHJBC-FQEVSTJZSA-N 0 0 414.571 5.463 40 0 HKABRN CCOC1(C(=O)Nc2ccc(OCCC(C)(C)OC)c(Cl)c2)CCC(C)CC1 ZINC000225721790 521633246 /nfs/dbraw/zinc/63/32/46/521633246.db2.gz BZMAYIPTZSFWAW-UHFFFAOYSA-N 0 0 411.970 5.458 40 0 HKABRN O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1ccc(Oc2ccccc2)cc1 ZINC000225723478 527373503 /nfs/dbraw/zinc/37/35/03/527373503.db2.gz VZFWLFIOYNVWNL-UHFFFAOYSA-N 0 0 404.853 5.086 40 0 HKABRN O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1ccccc1Sc1ccccc1 ZINC000225725073 568668145 /nfs/dbraw/zinc/66/81/45/568668145.db2.gz HJBPBKPJHASNPS-UHFFFAOYSA-N 0 0 420.921 5.445 40 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LWUIJKFEDPDVAE-UHFFFAOYSA-N 0 0 405.623 6.534 40 0 HKABRN CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCOC)c(Cl)c1 ZINC000225743582 568670363 /nfs/dbraw/zinc/67/03/63/568670363.db2.gz LUAWUTURQICPNU-UHFFFAOYSA-N 0 0 413.986 5.561 40 0 HKABRN Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000225747149 568670769 /nfs/dbraw/zinc/67/07/69/568670769.db2.gz BOAOGFGXOPLICW-UHFFFAOYSA-N 0 0 400.503 5.100 40 0 HKABRN Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000225747187 568670709 /nfs/dbraw/zinc/67/07/09/568670709.db2.gz JKTASBODQPAUQA-UHFFFAOYSA-N 0 0 418.880 5.394 40 0 HKABRN COc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1Cl ZINC000225747630 523761299 /nfs/dbraw/zinc/76/12/99/523761299.db2.gz YGFDSEFRKJPSRE-UHFFFAOYSA-N 0 0 418.345 6.547 40 0 HKABRN CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1 ZINC000225748108 568671121 /nfs/dbraw/zinc/67/11/21/568671121.db2.gz QCJDZRSJAYHWLA-JOCHJYFZSA-N 0 0 413.986 5.848 40 0 HKABRN CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1 ZINC000225748136 521252721 /nfs/dbraw/zinc/25/27/21/521252721.db2.gz QCJDZRSJAYHWLA-QFIPXVFZSA-N 0 0 413.986 5.848 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(Br)cc2)cc1OCC ZINC000225749507 568671039 /nfs/dbraw/zinc/67/10/39/568671039.db2.gz GFYYGCZODVHCJR-CYBMUJFWSA-N 0 0 423.376 5.294 40 0 HKABRN CCOc1ccc([C@H](C)NC(=S)Nc2ccc(Br)cc2)cc1OCC ZINC000225749532 568671145 /nfs/dbraw/zinc/67/11/45/568671145.db2.gz GFYYGCZODVHCJR-ZDUSSCGKSA-N 0 0 423.376 5.294 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1OCC ZINC000225749655 568671034 /nfs/dbraw/zinc/67/10/34/568671034.db2.gz IVRGEGAROIIPCT-CYBMUJFWSA-N 0 0 412.477 5.550 40 0 HKABRN CCOc1ccc([C@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1OCC ZINC000225749685 521257028 /nfs/dbraw/zinc/25/70/28/521257028.db2.gz IVRGEGAROIIPCT-ZDUSSCGKSA-N 0 0 412.477 5.550 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(OC)c(Cl)c2)cc1OCC ZINC000225749985 568671083 /nfs/dbraw/zinc/67/10/83/568671083.db2.gz UKOGUHRKGFVLSW-CYBMUJFWSA-N 0 0 408.951 5.194 40 0 HKABRN CCOc1ccc([C@H](C)NC(=S)Nc2ccc(OC)c(Cl)c2)cc1OCC ZINC000225750013 568671105 /nfs/dbraw/zinc/67/11/05/568671105.db2.gz UKOGUHRKGFVLSW-ZDUSSCGKSA-N 0 0 408.951 5.194 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1OCC ZINC000225750527 521222598 /nfs/dbraw/zinc/22/25/98/521222598.db2.gz PTGBRUIZONZDLL-CYBMUJFWSA-N 0 0 412.477 5.550 40 0 HKABRN CCOc1ccc([C@H](C)NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1OCC ZINC000225750562 568671342 /nfs/dbraw/zinc/67/13/42/568671342.db2.gz PTGBRUIZONZDLL-ZDUSSCGKSA-N 0 0 412.477 5.550 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CCCC2)ccc1OCC ZINC000225750649 568671238 /nfs/dbraw/zinc/67/12/38/568671238.db2.gz YSRBFAGVYXFERL-UHFFFAOYSA-N 0 0 415.917 5.366 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(OC(C)C)cc2)cc1OCC ZINC000225751632 568671203 /nfs/dbraw/zinc/67/12/03/568671203.db2.gz JQFSEUMDVWVZPJ-MRXNPFEDSA-N 0 0 402.560 5.319 40 0 HKABRN CCOc1ccc([C@H](C)NC(=S)Nc2ccc(OC(C)C)cc2)cc1OCC ZINC000225751657 521257989 /nfs/dbraw/zinc/25/79/89/521257989.db2.gz JQFSEUMDVWVZPJ-INIZCTEOSA-N 0 0 402.560 5.319 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c2ccccc12 ZINC000225751680 568671215 /nfs/dbraw/zinc/67/12/15/568671215.db2.gz MOOHSRUGHBIUSZ-UHFFFAOYSA-N 0 0 407.941 6.733 40 0 HKABRN CCOc1ccc([C@@H](C)NC(=S)Nc2cccc(OC(C)C)c2)cc1OCC ZINC000225751691 521221968 /nfs/dbraw/zinc/22/19/68/521221968.db2.gz ZNBXAWSMMQISKN-MRXNPFEDSA-N 0 0 402.560 5.319 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c2ccccc12 ZINC000225751712 519780533 /nfs/dbraw/zinc/78/05/33/519780533.db2.gz SGAVPFVVRRJZNO-UHFFFAOYSA-N 0 0 407.941 6.731 40 0 HKABRN CCOc1ccc([C@H](C)NC(=S)Nc2cccc(OC(C)C)c2)cc1OCC ZINC000225751713 568671320 /nfs/dbraw/zinc/67/13/20/568671320.db2.gz ZNBXAWSMMQISKN-INIZCTEOSA-N 0 0 402.560 5.319 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c2ccccc12 ZINC000225751746 568671196 /nfs/dbraw/zinc/67/11/96/568671196.db2.gz WSTWUPUDCJPRKT-UHFFFAOYSA-N 0 0 421.968 7.123 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c2ccccc12 ZINC000225751771 568671276 /nfs/dbraw/zinc/67/12/76/568671276.db2.gz VJZTXVLKWLDJMX-GOSISDBHSA-N 0 0 421.968 7.121 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c2ccccc12 ZINC000225751792 568671222 /nfs/dbraw/zinc/67/12/22/568671222.db2.gz VJZTXVLKWLDJMX-SFHVURJKSA-N 0 0 421.968 7.121 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c2ccccc12 ZINC000225751816 568671292 /nfs/dbraw/zinc/67/12/92/568671292.db2.gz BXPFGWIYMUMWIV-UHFFFAOYSA-N 0 0 421.968 6.979 40 0 HKABRN COC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)ccc1OC ZINC000225751943 568671213 /nfs/dbraw/zinc/67/12/13/568671213.db2.gz KVVPLHKBALAMBQ-UHFFFAOYSA-N 0 0 422.308 5.239 40 0 HKABRN O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000225752557 527374584 /nfs/dbraw/zinc/37/45/84/527374584.db2.gz UDZGQKYLQBHDEI-UHFFFAOYSA-N 0 0 422.843 5.225 40 0 HKABRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c2ccccc12 ZINC000225752927 568671206 /nfs/dbraw/zinc/67/12/06/568671206.db2.gz VVVWRWCPHZPQAP-UHFFFAOYSA-N 0 0 414.332 6.606 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C(F)(F)F ZINC000225753218 568671253 /nfs/dbraw/zinc/67/12/53/568671253.db2.gz XNIKTPGVNUELDV-UHFFFAOYSA-N 0 0 407.432 5.563 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c2ccccc12 ZINC000225754962 568671511 /nfs/dbraw/zinc/67/15/11/568671511.db2.gz MZCKABXJDGAOQA-UHFFFAOYSA-N 0 0 403.522 6.088 40 0 HKABRN COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ccccc34)CCCC2)cc1 ZINC000225754997 568671483 /nfs/dbraw/zinc/67/14/83/568671483.db2.gz BELVGSULIMJFFI-UHFFFAOYSA-N 0 0 403.522 6.086 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c2ccccc12 ZINC000225755031 568671508 /nfs/dbraw/zinc/67/15/08/568671508.db2.gz WWFUGZKEVBLFEV-UHFFFAOYSA-N 0 0 417.549 6.478 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c2ccccc12 ZINC000225755066 522265621 /nfs/dbraw/zinc/26/56/21/522265621.db2.gz ZQGHDUCGEQZAEU-LJQANCHMSA-N 0 0 417.549 6.476 40 0 HKABRN Cc1ccc(CCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C ZINC000225755080 568671577 /nfs/dbraw/zinc/67/15/77/568671577.db2.gz KIZFWBSSIOVQAA-UHFFFAOYSA-N 0 0 413.561 6.403 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c2ccccc12 ZINC000225755089 568671570 /nfs/dbraw/zinc/67/15/70/568671570.db2.gz ZQGHDUCGEQZAEU-IBGZPJMESA-N 0 0 417.549 6.476 40 0 HKABRN COc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CCCC2)cc1 ZINC000225755126 523866323 /nfs/dbraw/zinc/86/63/23/523866323.db2.gz IZZSMXGHVDUIAU-UHFFFAOYSA-N 0 0 417.549 6.334 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C(=O)OC ZINC000225755368 568671526 /nfs/dbraw/zinc/67/15/26/568671526.db2.gz FFHNQXRYMYFDRA-GOSISDBHSA-N 0 0 409.526 5.491 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C(=O)OC ZINC000225755402 568671607 /nfs/dbraw/zinc/67/16/07/568671607.db2.gz FFHNQXRYMYFDRA-SFHVURJKSA-N 0 0 409.526 5.491 40 0 HKABRN COC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCCC2)ccc1OCC(C)C ZINC000225755424 521878277 /nfs/dbraw/zinc/87/82/77/521878277.db2.gz UVHKIFMXVGYSKL-UHFFFAOYSA-N 0 0 409.526 5.349 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C(=O)OC ZINC000225755453 520885533 /nfs/dbraw/zinc/88/55/33/520885533.db2.gz JHNDJTIATARMHT-UHFFFAOYSA-N 0 0 409.526 5.493 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C(=O)OCC ZINC000225755563 520388425 /nfs/dbraw/zinc/38/84/25/520388425.db2.gz AFKRYFCYOYENSV-UHFFFAOYSA-N 0 0 409.526 5.493 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCCC2)ccc1OC(C)C ZINC000225755598 568671540 /nfs/dbraw/zinc/67/15/40/568671540.db2.gz QAFMQGJPLPKHGC-UHFFFAOYSA-N 0 0 409.526 5.491 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C(=O)OCC ZINC000225755639 568671550 /nfs/dbraw/zinc/67/15/50/568671550.db2.gz IQSPOEOWZYUOEO-UHFFFAOYSA-N 0 0 423.553 5.883 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCCC2)ccc1O[C@@H](C)CC ZINC000225755672 568671465 /nfs/dbraw/zinc/67/14/65/568671465.db2.gz HCRLNNRJUYWTRS-IBGZPJMESA-N 0 0 423.553 5.881 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCCC2)ccc1O[C@H](C)CC ZINC000225755697 568671588 /nfs/dbraw/zinc/67/15/88/568671588.db2.gz HCRLNNRJUYWTRS-LJQANCHMSA-N 0 0 423.553 5.881 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCCC2)ccc1OCC(C)C ZINC000225755734 521439014 /nfs/dbraw/zinc/43/90/14/521439014.db2.gz UXFAYCTYMHQMEO-UHFFFAOYSA-N 0 0 423.553 5.739 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c2ccccc12 ZINC000225756556 520885281 /nfs/dbraw/zinc/88/52/81/520885281.db2.gz VNFIHDBDUGCJCF-UHFFFAOYSA-N 0 0 401.550 6.859 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c2ccccc12 ZINC000225756594 522265876 /nfs/dbraw/zinc/26/58/76/522265876.db2.gz WLIQVRYCDIOFIM-HXUWFJFHSA-N 0 0 401.550 6.858 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c2ccccc12 ZINC000225756620 521769280 /nfs/dbraw/zinc/76/92/80/521769280.db2.gz WLIQVRYCDIOFIM-FQEVSTJZSA-N 0 0 401.550 6.858 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c2ccccc12 ZINC000225756651 568671553 /nfs/dbraw/zinc/67/15/53/568671553.db2.gz XUQILKVZIKXMJQ-UHFFFAOYSA-N 0 0 401.550 6.715 40 0 HKABRN CC[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccccc1C ZINC000225757346 568671573 /nfs/dbraw/zinc/67/15/73/568671573.db2.gz INZGTANQUJBRTH-HSZRJFAPSA-N 0 0 406.620 6.725 40 0 HKABRN CC[C@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccccc1C ZINC000225757371 568671506 /nfs/dbraw/zinc/67/15/06/568671506.db2.gz INZGTANQUJBRTH-QHCPKHFHSA-N 0 0 406.620 6.725 40 0 HKABRN Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccccc3Sc3ccccc3)c2c1 ZINC000225757618 524342210 /nfs/dbraw/zinc/34/22/10/524342210.db2.gz CTRXOEQWGJYWAM-UHFFFAOYSA-N 0 0 414.530 5.408 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C(F)(F)F ZINC000225758247 568671680 /nfs/dbraw/zinc/67/16/80/568671680.db2.gz OYVJSPJQISHILD-UHFFFAOYSA-N 0 0 405.460 6.253 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C(=O)OC ZINC000225758358 568671860 /nfs/dbraw/zinc/67/18/60/568671860.db2.gz DUUQWVZYUFWUOA-UHFFFAOYSA-N 0 0 409.526 5.411 40 0 HKABRN COC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCCC2)ccc1OC(C)C ZINC000225758388 521877489 /nfs/dbraw/zinc/87/74/89/521877489.db2.gz HTVYLIDWQMXXSY-UHFFFAOYSA-N 0 0 409.526 5.409 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C(=O)OC ZINC000225758428 568671822 /nfs/dbraw/zinc/67/18/22/568671822.db2.gz MENWKUFACWJYPB-LJQANCHMSA-N 0 0 423.553 5.800 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C(=O)OC ZINC000225758463 568671819 /nfs/dbraw/zinc/67/18/19/568671819.db2.gz MENWKUFACWJYPB-IBGZPJMESA-N 0 0 423.553 5.800 40 0 HKABRN COC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCCC2)ccc1OCC(C)C ZINC000225758487 521877088 /nfs/dbraw/zinc/87/70/88/521877088.db2.gz ZTJNMBXWCYHRGJ-UHFFFAOYSA-N 0 0 423.553 5.657 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C(=O)OC ZINC000225758518 568671840 /nfs/dbraw/zinc/67/18/40/568671840.db2.gz HTUIVQSSUUYIOL-UHFFFAOYSA-N 0 0 423.553 5.801 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCCC2)ccc1OCC ZINC000225758581 568671736 /nfs/dbraw/zinc/67/17/36/568671736.db2.gz ATCMIQDQAPAMHH-UHFFFAOYSA-N 0 0 409.526 5.411 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C(=O)OCC ZINC000225758614 520388504 /nfs/dbraw/zinc/38/85/04/520388504.db2.gz UKOKYUGRUBTFTJ-UHFFFAOYSA-N 0 0 423.553 5.801 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCCC2)ccc1OC(C)C ZINC000225758641 568671885 /nfs/dbraw/zinc/67/18/85/568671885.db2.gz VXBYJVXWFDGKKP-UHFFFAOYSA-N 0 0 423.553 5.800 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c2ccccc12 ZINC000225759383 568671899 /nfs/dbraw/zinc/67/18/99/568671899.db2.gz QDOZEIAXWCGCFK-UHFFFAOYSA-N 0 0 401.550 6.778 40 0 HKABRN Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)c4ccccc34)CCCCC2)c1 ZINC000225759424 568671741 /nfs/dbraw/zinc/67/17/41/568671741.db2.gz ZIEJZJZTALKVRL-UHFFFAOYSA-N 0 0 401.550 6.776 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c2ccccc12 ZINC000225759448 568671874 /nfs/dbraw/zinc/67/18/74/568671874.db2.gz FCBLEOQKMQRNLV-UHFFFAOYSA-N 0 0 415.577 7.168 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c2ccccc12 ZINC000225759508 568671843 /nfs/dbraw/zinc/67/18/43/568671843.db2.gz MRMGJIZTPSVVLR-OAQYLSRUSA-N 0 0 415.577 7.166 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c2ccccc12 ZINC000225759524 568671829 /nfs/dbraw/zinc/67/18/29/568671829.db2.gz MRMGJIZTPSVVLR-NRFANRHFSA-N 0 0 415.577 7.166 40 0 HKABRN Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CCCCC2)c1 ZINC000225759546 568671858 /nfs/dbraw/zinc/67/18/58/568671858.db2.gz KYMFBNYCBSZHLZ-UHFFFAOYSA-N 0 0 415.577 7.024 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C(F)(F)F ZINC000225759622 568671766 /nfs/dbraw/zinc/67/17/66/568671766.db2.gz PNWJXOVFCUNSFV-UHFFFAOYSA-N 0 0 405.460 6.253 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C(=O)OC ZINC000225759698 568671881 /nfs/dbraw/zinc/67/18/81/568671881.db2.gz AKLYUSNFJMKQSW-UHFFFAOYSA-N 0 0 409.526 5.411 40 0 HKABRN COC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)ccc1OC(C)C ZINC000225759728 568671706 /nfs/dbraw/zinc/67/17/06/568671706.db2.gz IXAFNTQLCXKRAW-UHFFFAOYSA-N 0 0 409.526 5.409 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C(=O)OC ZINC000225759746 568671914 /nfs/dbraw/zinc/67/19/14/568671914.db2.gz VECLNONSMSYCNJ-LJQANCHMSA-N 0 0 423.553 5.800 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C(=O)OC ZINC000225759760 568671911 /nfs/dbraw/zinc/67/19/11/568671911.db2.gz VECLNONSMSYCNJ-IBGZPJMESA-N 0 0 423.553 5.800 40 0 HKABRN COC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)ccc1OCC(C)C ZINC000225759785 568671746 /nfs/dbraw/zinc/67/17/46/568671746.db2.gz AJDGIBQHAXQVSJ-UHFFFAOYSA-N 0 0 423.553 5.657 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C(=O)OC ZINC000225759815 568671727 /nfs/dbraw/zinc/67/17/27/568671727.db2.gz FPBGKNHQVIUQNC-UHFFFAOYSA-N 0 0 423.553 5.801 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)ccc1OCC ZINC000225759871 568671846 /nfs/dbraw/zinc/67/18/46/568671846.db2.gz KLONBGIWVCVZGK-UHFFFAOYSA-N 0 0 409.526 5.411 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C(=O)OCC ZINC000225759906 520388340 /nfs/dbraw/zinc/38/83/40/520388340.db2.gz DIZWPGNLUNASCM-UHFFFAOYSA-N 0 0 423.553 5.801 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)ccc1OC(C)C ZINC000225759931 568671703 /nfs/dbraw/zinc/67/17/03/568671703.db2.gz OUYBHIYTNCQRCZ-UHFFFAOYSA-N 0 0 423.553 5.800 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c2ccccc12 ZINC000225760588 520388481 /nfs/dbraw/zinc/38/84/81/520388481.db2.gz DLTGRHWQTGVYTL-UHFFFAOYSA-N 0 0 401.550 6.778 40 0 HKABRN Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ccccc34)CCCCC2)cc1 ZINC000225760604 524227757 /nfs/dbraw/zinc/22/77/57/524227757.db2.gz QTQIIEZRSNLORC-UHFFFAOYSA-N 0 0 401.550 6.776 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c2ccccc12 ZINC000225760628 520882542 /nfs/dbraw/zinc/88/25/42/520882542.db2.gz AKSPYNAFBPDSKB-UHFFFAOYSA-N 0 0 415.577 7.168 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c2ccccc12 ZINC000225760648 568672031 /nfs/dbraw/zinc/67/20/31/568672031.db2.gz NIGXNALXEIAFTE-OAQYLSRUSA-N 0 0 415.577 7.166 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c2ccccc12 ZINC000225760663 568671991 /nfs/dbraw/zinc/67/19/91/568671991.db2.gz NIGXNALXEIAFTE-NRFANRHFSA-N 0 0 415.577 7.166 40 0 HKABRN Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CCCCC2)cc1 ZINC000225760681 568671974 /nfs/dbraw/zinc/67/19/74/568671974.db2.gz KZKJGNIAONTNGQ-UHFFFAOYSA-N 0 0 415.577 7.024 40 0 HKABRN Cc1ccccc1[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)C(C)C ZINC000225760692 568672019 /nfs/dbraw/zinc/67/20/19/568672019.db2.gz ZQAKMTQMGPZJBE-KRWDZBQOSA-N 0 0 400.897 6.351 40 0 HKABRN Cc1ccccc1[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)C(C)C ZINC000225760709 525430053 /nfs/dbraw/zinc/43/00/53/525430053.db2.gz ZQAKMTQMGPZJBE-QGZVFWFLSA-N 0 0 400.897 6.351 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1snnc1-c1ccccc1 ZINC000225760732 568671953 /nfs/dbraw/zinc/67/19/53/568671953.db2.gz COROTZAEFKPHMH-UHFFFAOYSA-N 0 0 407.882 5.903 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C(F)(F)F ZINC000225760737 568672142 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Cc1ccccc1[C@@H](NC(=S)Nc1ccc(Br)c(Cl)c1)C(C)C ZINC000225761143 568671988 /nfs/dbraw/zinc/67/19/88/568671988.db2.gz DQTJWGTXHSUQAG-KRWDZBQOSA-N 0 0 411.796 6.095 40 0 HKABRN Cc1ccccc1[C@H](NC(=S)Nc1ccc(Br)c(Cl)c1)C(C)C ZINC000225761160 568672137 /nfs/dbraw/zinc/67/21/37/568672137.db2.gz DQTJWGTXHSUQAG-QGZVFWFLSA-N 0 0 411.796 6.095 40 0 HKABRN CCOC(=O)c1cc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)ccc1Cl ZINC000225761782 568671979 /nfs/dbraw/zinc/67/19/79/568671979.db2.gz BDBRWCDFAOUOCT-LJQANCHMSA-N 0 0 404.963 5.509 40 0 HKABRN CCOC(=O)c1cc(NC(=S)N[C@H](c2ccccc2C)C(C)C)ccc1Cl ZINC000225761805 568672023 /nfs/dbraw/zinc/67/20/23/568672023.db2.gz BDBRWCDFAOUOCT-IBGZPJMESA-N 0 0 404.963 5.509 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)cc1Cl ZINC000225761831 568672128 /nfs/dbraw/zinc/67/21/28/568672128.db2.gz DAKJCYKYQAQHNH-LJQANCHMSA-N 0 0 404.963 5.509 40 0 HKABRN COc1cccc(NC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000225761853 568672062 /nfs/dbraw/zinc/67/20/62/568672062.db2.gz IQWJMTHEAXSVBK-UHFFFAOYSA-N 0 0 402.494 5.868 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)cc1Cl ZINC000225761857 568672170 /nfs/dbraw/zinc/67/21/70/568672170.db2.gz DAKJCYKYQAQHNH-IBGZPJMESA-N 0 0 404.963 5.509 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c2ccccc12 ZINC000225761875 568672168 /nfs/dbraw/zinc/67/21/68/568672168.db2.gz QQPNUFKZJHAZJA-UHFFFAOYSA-N 0 0 405.513 6.608 40 0 HKABRN COc1cccc(NC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000225761888 568672005 /nfs/dbraw/zinc/67/20/05/568672005.db2.gz AKGQRUWCLSAFKQ-UHFFFAOYSA-N 0 0 417.509 5.889 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c2ccccc12 ZINC000225761909 568672097 /nfs/dbraw/zinc/67/20/97/568672097.db2.gz RVHOWKNRWWRFMW-UHFFFAOYSA-N 0 0 405.513 6.607 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c2ccccc12 ZINC000225761943 568672115 /nfs/dbraw/zinc/67/21/15/568672115.db2.gz WWRHLMXNFKUDKR-UHFFFAOYSA-N 0 0 419.540 6.998 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c2ccccc12 ZINC000225761981 568671996 /nfs/dbraw/zinc/67/19/96/568671996.db2.gz FWFFMFCYKHQMLF-LJQANCHMSA-N 0 0 419.540 6.997 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c2ccccc12 ZINC000225762006 521768975 /nfs/dbraw/zinc/76/89/75/521768975.db2.gz FWFFMFCYKHQMLF-IBGZPJMESA-N 0 0 419.540 6.997 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c2ccccc12 ZINC000225762034 519763028 /nfs/dbraw/zinc/76/30/28/519763028.db2.gz MYSDSEUXXZURII-UHFFFAOYSA-N 0 0 419.540 6.854 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C(F)(F)F ZINC000225762100 521052058 /nfs/dbraw/zinc/05/20/58/521052058.db2.gz JNCSHQMDISZPCN-UHFFFAOYSA-N 0 0 409.423 6.084 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C(=O)OC ZINC000225762197 520387589 /nfs/dbraw/zinc/38/75/89/520387589.db2.gz YNEYDUJPVBEANR-UHFFFAOYSA-N 0 0 413.489 5.242 40 0 HKABRN COC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1OC(C)C ZINC000225762235 568672120 /nfs/dbraw/zinc/67/21/20/568672120.db2.gz XMCPLQKVPLMEAG-UHFFFAOYSA-N 0 0 413.489 5.240 40 0 HKABRN Cc1ccccc1[C@@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)C(C)C ZINC000225762293 568672093 /nfs/dbraw/zinc/67/20/93/568672093.db2.gz SFUIEKNLHWMTAH-QFIPXVFZSA-N 0 0 409.599 5.305 40 0 HKABRN Cc1ccccc1[C@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)C(C)C ZINC000225762313 568672035 /nfs/dbraw/zinc/67/20/35/568672035.db2.gz SFUIEKNLHWMTAH-JOCHJYFZSA-N 0 0 409.599 5.305 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1OCC ZINC000225762415 568672026 /nfs/dbraw/zinc/67/20/26/568672026.db2.gz FHJQFFWBTDKDEM-UHFFFAOYSA-N 0 0 413.489 5.242 40 0 HKABRN COc1ccc(-c2nnsc2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000225762438 568671963 /nfs/dbraw/zinc/67/19/63/568671963.db2.gz PTCRLJJMWSITKG-UHFFFAOYSA-N 0 0 413.808 5.138 40 0 HKABRN COc1ccc(-c2nnsc2C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000225762464 523271039 /nfs/dbraw/zinc/27/10/39/523271039.db2.gz COKBMDBHPIONMU-UHFFFAOYSA-N 0 0 413.808 5.138 40 0 HKABRN COc1ccc(-c2nnsc2C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000225762568 568672042 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CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c2ccccc12 ZINC000225763415 568672382 /nfs/dbraw/zinc/67/23/82/568672382.db2.gz OGIOWILYQMOPGL-LJQANCHMSA-N 0 0 419.540 6.997 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c2ccccc12 ZINC000225763440 568672212 /nfs/dbraw/zinc/67/22/12/568672212.db2.gz OGIOWILYQMOPGL-IBGZPJMESA-N 0 0 419.540 6.997 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c2ccccc12 ZINC000225763471 519763169 /nfs/dbraw/zinc/76/31/69/519763169.db2.gz UAZBCYUOZPGJGK-UHFFFAOYSA-N 0 0 419.540 6.854 40 0 HKABRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C(F)(F)F ZINC000225763501 524469539 /nfs/dbraw/zinc/46/95/39/524469539.db2.gz SFHCHKOJWSLFDC-UHFFFAOYSA-N 0 0 411.851 6.208 40 0 HKABRN COc1ccc(-c2nnsc2C(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000225763572 568672312 /nfs/dbraw/zinc/67/23/12/568672312.db2.gz QQTVXDABSRWMTP-UHFFFAOYSA-N 0 0 419.531 5.617 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C(=O)OC ZINC000225763613 568672182 /nfs/dbraw/zinc/67/21/82/568672182.db2.gz KQUHALZMDXAIDO-UHFFFAOYSA-N 0 0 415.917 5.366 40 0 HKABRN COc1ccc(-c2nnsc2C(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000225763705 523272356 /nfs/dbraw/zinc/27/23/56/523272356.db2.gz QGSNTJVGPGCFMK-UHFFFAOYSA-N 0 0 403.463 5.258 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)ccc1OC ZINC000225763862 568672280 /nfs/dbraw/zinc/67/22/80/568672280.db2.gz WXVGOERUEHMJRU-UHFFFAOYSA-N 0 0 415.917 5.366 40 0 HKABRN Cc1ccc([C@@H](NC(=S)Nc2ccc(Br)c(C)c2)C(C)C)c(C)c1 ZINC000225764370 568672197 /nfs/dbraw/zinc/67/21/97/568672197.db2.gz JDLPDAWHXBSVDG-IBGZPJMESA-N 0 0 405.405 6.058 40 0 HKABRN Cc1ccc([C@H](NC(=S)Nc2ccc(Br)c(C)c2)C(C)C)c(C)c1 ZINC000225764388 568672350 /nfs/dbraw/zinc/67/23/50/568672350.db2.gz JDLPDAWHXBSVDG-LJQANCHMSA-N 0 0 405.405 6.058 40 0 HKABRN Cc1ccc([C@@H](NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)C(C)C)c(C)c1 ZINC000225764424 568672370 /nfs/dbraw/zinc/67/23/70/568672370.db2.gz BDTSLFNAXXGKPP-SFHVURJKSA-N 0 0 414.924 6.659 40 0 HKABRN Cc1ccc([C@H](NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)C(C)C)c(C)c1 ZINC000225764448 525967644 /nfs/dbraw/zinc/96/76/44/525967644.db2.gz BDTSLFNAXXGKPP-GOSISDBHSA-N 0 0 414.924 6.659 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c2ccccc12 ZINC000225764786 521051794 /nfs/dbraw/zinc/05/17/94/521051794.db2.gz CIGDYYOMOTXUEC-UHFFFAOYSA-N 0 0 407.941 6.733 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c2ccccc12 ZINC000225764825 568672308 /nfs/dbraw/zinc/67/23/08/568672308.db2.gz SUPDDCPIXKUIEC-UHFFFAOYSA-N 0 0 421.968 7.123 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c2ccccc12 ZINC000225764856 568672347 /nfs/dbraw/zinc/67/23/47/568672347.db2.gz BMDINMKPADNDKB-UHFFFAOYSA-N 0 0 421.968 7.121 40 0 HKABRN Cc1cccc([C@@H](NC(=O)CSCc2ccc(Cl)cc2F)c2ccccc2)c1 ZINC000225764931 568672264 /nfs/dbraw/zinc/67/22/64/568672264.db2.gz HVWHHGQMRYZKLS-QHCPKHFHSA-N 0 0 413.945 5.927 40 0 HKABRN Cc1cccc([C@H](NC(=O)CSCc2ccc(Cl)cc2F)c2ccccc2)c1 ZINC000225764952 568672236 /nfs/dbraw/zinc/67/22/36/568672236.db2.gz HVWHHGQMRYZKLS-HSZRJFAPSA-N 0 0 413.945 5.927 40 0 HKABRN COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C(F)(F)F ZINC000225765022 568672304 /nfs/dbraw/zinc/67/23/04/568672304.db2.gz IXMQNRCZFJFYAM-UHFFFAOYSA-N 0 0 411.851 6.208 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C(=O)OC ZINC000225765144 521050524 /nfs/dbraw/zinc/05/05/24/521050524.db2.gz QNVXSYXKDSQBLL-UHFFFAOYSA-N 0 0 415.917 5.366 40 0 HKABRN Cc1ccc([C@@H](NC(=S)Nc2ccc(Br)cc2F)C(C)C)c(C)c1 ZINC000225765197 568672250 /nfs/dbraw/zinc/67/22/50/568672250.db2.gz TUBXEXYYMLPAQS-SFHVURJKSA-N 0 0 409.368 5.889 40 0 HKABRN Cc1ccc([C@H](NC(=S)Nc2ccc(Br)cc2F)C(C)C)c(C)c1 ZINC000225765225 568672341 /nfs/dbraw/zinc/67/23/41/568672341.db2.gz TUBXEXYYMLPAQS-GOSISDBHSA-N 0 0 409.368 5.889 40 0 HKABRN COC(=O)c1cc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)ccc1Cl ZINC000225765264 568672299 /nfs/dbraw/zinc/67/22/99/568672299.db2.gz CUNOMCADOBBNTC-LJQANCHMSA-N 0 0 404.963 5.427 40 0 HKABRN COC(=O)c1cc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)ccc1Cl ZINC000225765286 568672486 /nfs/dbraw/zinc/67/24/86/568672486.db2.gz CUNOMCADOBBNTC-IBGZPJMESA-N 0 0 404.963 5.427 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)c1 ZINC000225765320 568672423 /nfs/dbraw/zinc/67/24/23/568672423.db2.gz PMFOAFSVADSFKU-LJQANCHMSA-N 0 0 404.963 5.427 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)c1 ZINC000225765342 568672506 /nfs/dbraw/zinc/67/25/06/568672506.db2.gz PMFOAFSVADSFKU-IBGZPJMESA-N 0 0 404.963 5.427 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CCCCC2)ccc1OC ZINC000225765390 568672516 /nfs/dbraw/zinc/67/25/16/568672516.db2.gz MNIRPFQCUGYEAW-UHFFFAOYSA-N 0 0 415.917 5.366 40 0 HKABRN CCC1(CC)C[C@@H](NC(=O)COc2cc(C)c(Cl)c(C)c2)c2ccccc2O1 ZINC000225765744 568672436 /nfs/dbraw/zinc/67/24/36/568672436.db2.gz UHTDCAIJWADXGS-LJQANCHMSA-N 0 0 401.934 5.534 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)COc2cc(C)c(Cl)c(C)c2)c2ccccc2O1 ZINC000225765765 568672591 /nfs/dbraw/zinc/67/25/91/568672591.db2.gz UHTDCAIJWADXGS-IBGZPJMESA-N 0 0 401.934 5.534 40 0 HKABRN CCOC(=O)c1cc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)ccc1Cl ZINC000225765787 568672520 /nfs/dbraw/zinc/67/25/20/568672520.db2.gz ALQNWIDOTNHIRO-HXUWFJFHSA-N 0 0 418.990 5.817 40 0 HKABRN CCOC(=O)c1cc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)ccc1Cl ZINC000225765811 568672547 /nfs/dbraw/zinc/67/25/47/568672547.db2.gz ALQNWIDOTNHIRO-FQEVSTJZSA-N 0 0 418.990 5.817 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)cc1Cl ZINC000225765840 568672424 /nfs/dbraw/zinc/67/24/24/568672424.db2.gz IQRXGKGEXGJASQ-HXUWFJFHSA-N 0 0 418.990 5.817 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)cc1Cl ZINC000225765859 568672495 /nfs/dbraw/zinc/67/24/95/568672495.db2.gz IQRXGKGEXGJASQ-FQEVSTJZSA-N 0 0 418.990 5.817 40 0 HKABRN Cc1ccc([C@@H](NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)C(C)C)c(C)c1 ZINC000225766122 568672482 /nfs/dbraw/zinc/67/24/82/568672482.db2.gz YXKVHXQAVNFNAQ-QHCPKHFHSA-N 0 0 409.599 5.422 40 0 HKABRN Cc1ccc([C@H](NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)C(C)C)c(C)c1 ZINC000225766138 568672542 /nfs/dbraw/zinc/67/25/42/568672542.db2.gz YXKVHXQAVNFNAQ-HSZRJFAPSA-N 0 0 409.599 5.422 40 0 HKABRN Cc1ccc([C@@H](NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)C(C)C)c(C)c1 ZINC000225766165 568672467 /nfs/dbraw/zinc/67/24/67/568672467.db2.gz YZOGWZCYBQYRTQ-QHCPKHFHSA-N 0 0 409.599 5.422 40 0 HKABRN Cc1ccc([C@H](NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)C(C)C)c(C)c1 ZINC000225766184 568672499 /nfs/dbraw/zinc/67/24/99/568672499.db2.gz YZOGWZCYBQYRTQ-HSZRJFAPSA-N 0 0 409.599 5.422 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c2ccccc12 ZINC000225766214 521050893 /nfs/dbraw/zinc/05/08/93/521050893.db2.gz GYODUPYZANVASY-UHFFFAOYSA-N 0 0 407.941 6.733 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c2ccccc12 ZINC000225766239 568672432 /nfs/dbraw/zinc/67/24/32/568672432.db2.gz HZUONCMUNFAUAY-UHFFFAOYSA-N 0 0 421.968 7.123 40 0 HKABRN Cc1ccc([C@@H](NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)C(C)C)c(C)c1 ZINC000225766251 568672447 /nfs/dbraw/zinc/67/24/47/568672447.db2.gz KTATUWKWMIVNCS-QHCPKHFHSA-N 0 0 423.626 5.613 40 0 HKABRN Cc1ccc([C@H](NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)C(C)C)c(C)c1 ZINC000225766270 568672490 /nfs/dbraw/zinc/67/24/90/568672490.db2.gz KTATUWKWMIVNCS-HSZRJFAPSA-N 0 0 423.626 5.613 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c2ccccc12 ZINC000225766271 568672594 /nfs/dbraw/zinc/67/25/94/568672594.db2.gz FDGDYRVGUHQTII-UHFFFAOYSA-N 0 0 421.968 7.121 40 0 HKABRN COc1cccc(-c2nnsc2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000225766374 525735723 /nfs/dbraw/zinc/73/57/23/525735723.db2.gz RVIGZJKXVUULBY-UHFFFAOYSA-N 0 0 413.808 5.138 40 0 HKABRN COc1cccc(-c2nnsc2C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000225766404 568672583 /nfs/dbraw/zinc/67/25/83/568672583.db2.gz YBONUBYJITVSMA-UHFFFAOYSA-N 0 0 413.808 5.138 40 0 HKABRN COc1cccc(-c2nnsc2C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000225766562 568672537 /nfs/dbraw/zinc/67/25/37/568672537.db2.gz WVTSEGVSMKTHFK-UHFFFAOYSA-N 0 0 417.490 5.045 40 0 HKABRN COc1cccc(-c2nnsc2C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000225766584 568672471 /nfs/dbraw/zinc/67/24/71/568672471.db2.gz JUBGYCWCPVOLCM-UHFFFAOYSA-N 0 0 403.463 5.258 40 0 HKABRN COc1cccc(-c2nnsc2C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000225767078 568672624 /nfs/dbraw/zinc/67/26/24/568672624.db2.gz APFCPIZRVFBVRA-UHFFFAOYSA-N 0 0 415.518 5.056 40 0 HKABRN COc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c(OC)c1 ZINC000225767473 568672550 /nfs/dbraw/zinc/67/25/50/568672550.db2.gz YYGBRHLISOFHHT-QHCPKHFHSA-N 0 0 406.551 5.397 40 0 HKABRN COc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)c(OC)c1 ZINC000225767491 568672463 /nfs/dbraw/zinc/67/24/63/568672463.db2.gz YYGBRHLISOFHHT-HSZRJFAPSA-N 0 0 406.551 5.397 40 0 HKABRN Cc1ccc([C@@H](NC(=S)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c(C)c1 ZINC000225767519 568672451 /nfs/dbraw/zinc/67/24/51/568672451.db2.gz IRIPQHWTQOVLME-NRFANRHFSA-N 0 0 414.496 6.398 40 0 HKABRN Cc1ccc([C@H](NC(=S)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c(C)c1 ZINC000225767541 568672533 /nfs/dbraw/zinc/67/25/33/568672533.db2.gz IRIPQHWTQOVLME-OAQYLSRUSA-N 0 0 414.496 6.398 40 0 HKABRN COc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)cc1OC ZINC000225767568 568672598 /nfs/dbraw/zinc/67/25/98/568672598.db2.gz ANBUEDMMAFNMDL-QHCPKHFHSA-N 0 0 406.551 5.397 40 0 HKABRN COc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)cc1OC ZINC000225767583 568672427 /nfs/dbraw/zinc/67/24/27/568672427.db2.gz ANBUEDMMAFNMDL-HSZRJFAPSA-N 0 0 406.551 5.397 40 0 HKABRN COc1ccc(C2(C(=O)Nc3ccc(OC)c(C(F)(F)F)c3)CCCCC2)cc1 ZINC000225767702 523867477 /nfs/dbraw/zinc/86/74/77/523867477.db2.gz RWSMWPDOFSGNCS-UHFFFAOYSA-N 0 0 407.432 5.563 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C(F)(F)F ZINC000225767737 568672572 /nfs/dbraw/zinc/67/25/72/568672572.db2.gz JXTBWPUIESOKDS-UHFFFAOYSA-N 0 0 421.459 5.953 40 0 HKABRN COc1ccccc1NC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000225767864 568672786 /nfs/dbraw/zinc/67/27/86/568672786.db2.gz YISWIQYCMCOUEH-UHFFFAOYSA-N 0 0 402.494 5.868 40 0 HKABRN COc1ccccc1NC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000225767893 568672809 /nfs/dbraw/zinc/67/28/09/568672809.db2.gz YWOWIMARHKAVDB-UHFFFAOYSA-N 0 0 417.509 5.889 40 0 HKABRN COc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)cc1Cl ZINC000225767894 568672694 /nfs/dbraw/zinc/67/26/94/568672694.db2.gz AXCLGFCDJQUVLW-QFIPXVFZSA-N 0 0 410.970 6.041 40 0 HKABRN COc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)cc1Cl ZINC000225767916 568672817 /nfs/dbraw/zinc/67/28/17/568672817.db2.gz AXCLGFCDJQUVLW-JOCHJYFZSA-N 0 0 410.970 6.041 40 0 HKABRN COc1cccc(-c2nnsc2C(=O)Nc2ccccc2Sc2ccccc2)c1 ZINC000225767934 568672733 /nfs/dbraw/zinc/67/27/33/568672733.db2.gz PVWVNQDEBLXXEZ-UHFFFAOYSA-N 0 0 419.531 5.617 40 0 HKABRN COc1cccc(-c2nnsc2C(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000225768047 568672768 /nfs/dbraw/zinc/67/27/68/568672768.db2.gz PJYZEQUOEJAOHL-UHFFFAOYSA-N 0 0 403.463 5.258 40 0 HKABRN COC(=O)c1ccc(C)c(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c1 ZINC000225768133 568672702 /nfs/dbraw/zinc/67/27/02/568672702.db2.gz YAFAJDSLLAPDQZ-QHCPKHFHSA-N 0 0 418.562 5.474 40 0 HKABRN COC(=O)c1ccc(C)c(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)c1 ZINC000225768156 521988317 /nfs/dbraw/zinc/98/83/17/521988317.db2.gz YAFAJDSLLAPDQZ-HSZRJFAPSA-N 0 0 418.562 5.474 40 0 HKABRN Cc1ccc([C@@H](NC(=S)Nc2ccc3c(c2)OCCO3)c2ccccc2)c(C)c1 ZINC000225768282 568672740 /nfs/dbraw/zinc/67/27/40/568672740.db2.gz HUAHYHRFOQRXSE-QHCPKHFHSA-N 0 0 404.535 5.151 40 0 HKABRN Cc1ccc([C@H](NC(=S)Nc2ccc3c(c2)OCCO3)c2ccccc2)c(C)c1 ZINC000225768303 525968025 /nfs/dbraw/zinc/96/80/25/525968025.db2.gz HUAHYHRFOQRXSE-HSZRJFAPSA-N 0 0 404.535 5.151 40 0 HKABRN COC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c1C ZINC000225768373 522238681 /nfs/dbraw/zinc/23/86/81/522238681.db2.gz GWUVYTPTNZFQQG-QHCPKHFHSA-N 0 0 418.562 5.474 40 0 HKABRN COC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)c1C ZINC000225768388 568672838 /nfs/dbraw/zinc/67/28/38/568672838.db2.gz GWUVYTPTNZFQQG-HSZRJFAPSA-N 0 0 418.562 5.474 40 0 HKABRN Cc1ccc([C@@H](NC(=S)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)c(C)c1 ZINC000225768411 525772067 /nfs/dbraw/zinc/77/20/67/525772067.db2.gz WQLVBJWMHZPDQK-NRFANRHFSA-N 0 0 414.496 6.398 40 0 HKABRN Cc1ccc([C@H](NC(=S)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)c(C)c1 ZINC000225768427 568672744 /nfs/dbraw/zinc/67/27/44/568672744.db2.gz WQLVBJWMHZPDQK-OAQYLSRUSA-N 0 0 414.496 6.398 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c2ccccc12 ZINC000225768739 568672703 /nfs/dbraw/zinc/67/27/03/568672703.db2.gz UUIQXSPTGWCIGA-UHFFFAOYSA-N 0 0 403.522 6.088 40 0 HKABRN COC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c1 ZINC000225768748 522239560 /nfs/dbraw/zinc/23/95/60/522239560.db2.gz SVLUMPDOHMKRHF-QFIPXVFZSA-N 0 0 404.535 5.166 40 0 HKABRN COC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)c1 ZINC000225768769 568672688 /nfs/dbraw/zinc/67/26/88/568672688.db2.gz SVLUMPDOHMKRHF-JOCHJYFZSA-N 0 0 404.535 5.166 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c2ccccc12 ZINC000225768778 568672794 /nfs/dbraw/zinc/67/27/94/568672794.db2.gz XATAORHVUYNPAY-UHFFFAOYSA-N 0 0 417.549 6.478 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c1 ZINC000225768787 521546632 /nfs/dbraw/zinc/54/66/32/521546632.db2.gz CUUGEBDNDYALJH-QHCPKHFHSA-N 0 0 418.562 5.556 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)c1 ZINC000225768801 568672843 /nfs/dbraw/zinc/67/28/43/568672843.db2.gz CUUGEBDNDYALJH-HSZRJFAPSA-N 0 0 418.562 5.556 40 0 HKABRN COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ccccc34)CCCCC2)cc1 ZINC000225768852 568672864 /nfs/dbraw/zinc/67/28/64/568672864.db2.gz GGCAVKDVVITCBK-UHFFFAOYSA-N 0 0 417.549 6.476 40 0 HKABRN Cc1ccc([C@@H](NC(=S)Nc2ccc(OC(C)C)cc2)c2ccccc2)c(C)c1 ZINC000225769065 568672710 /nfs/dbraw/zinc/67/27/10/568672710.db2.gz KDCYFFUQAIVTCG-DEOSSOPVSA-N 0 0 404.579 6.167 40 0 HKABRN Cc1ccc([C@H](NC(=S)Nc2ccc(OC(C)C)cc2)c2ccccc2)c(C)c1 ZINC000225769084 568672746 /nfs/dbraw/zinc/67/27/46/568672746.db2.gz KDCYFFUQAIVTCG-XMMPIXPASA-N 0 0 404.579 6.167 40 0 HKABRN Cc1ccc([C@@H](NC(=S)Nc2cccc(OC(C)C)c2)c2ccccc2)c(C)c1 ZINC000225769103 568672868 /nfs/dbraw/zinc/67/28/68/568672868.db2.gz PLGRXNVKJCLNRM-DEOSSOPVSA-N 0 0 404.579 6.167 40 0 HKABRN Cc1ccc([C@H](NC(=S)Nc2cccc(OC(C)C)c2)c2ccccc2)c(C)c1 ZINC000225769121 568672811 /nfs/dbraw/zinc/67/28/11/568672811.db2.gz PLGRXNVKJCLNRM-XMMPIXPASA-N 0 0 404.579 6.167 40 0 HKABRN Cc1ccc([C@@H](NC(=S)Nc2ccc(C(=O)N(C)C)cc2)c2ccccc2)c(C)c1 ZINC000225769451 525771559 /nfs/dbraw/zinc/77/15/59/525771559.db2.gz SXPSSYCPSXFNIM-QHCPKHFHSA-N 0 0 417.578 5.081 40 0 HKABRN Cc1ccc([C@H](NC(=S)Nc2ccc(C(=O)N(C)C)cc2)c2ccccc2)c(C)c1 ZINC000225769467 568672719 /nfs/dbraw/zinc/67/27/19/568672719.db2.gz SXPSSYCPSXFNIM-HSZRJFAPSA-N 0 0 417.578 5.081 40 0 HKABRN O=C(Nc1ccc(Br)cc1F)c1snnc1-c1ccc(Cl)cc1 ZINC000225770114 568673088 /nfs/dbraw/zinc/67/30/88/568673088.db2.gz SQCSPNCUSQXJNL-UHFFFAOYSA-N 0 0 412.671 5.012 40 0 HKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1snnc1-c1ccc(Cl)cc1 ZINC000225770189 568673022 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CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc12 ZINC000225770358 521768959 /nfs/dbraw/zinc/76/89/59/521768959.db2.gz MDZCIDHUTCJZQO-IBGZPJMESA-N 0 0 403.522 5.704 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc12 ZINC000225770386 568673018 /nfs/dbraw/zinc/67/30/18/568673018.db2.gz DNMGGTYQWZWBSJ-UHFFFAOYSA-N 0 0 403.522 5.562 40 0 HKABRN CCOc1cc(CNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC ZINC000225770430 520707122 /nfs/dbraw/zinc/70/71/22/520707122.db2.gz NNNQUHNLGDAYBE-UHFFFAOYSA-N 0 0 418.868 5.253 40 0 HKABRN O=C(c1snnc1-c1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000225770904 568672966 /nfs/dbraw/zinc/67/29/66/568672966.db2.gz KKAXKMGGYQMTJW-UHFFFAOYSA-N 0 0 419.937 5.701 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1C(F)(F)F ZINC000225771701 521051958 /nfs/dbraw/zinc/05/19/58/521051958.db2.gz ZBYBRAIEDAXDCL-UHFFFAOYSA-N 0 0 407.432 5.099 40 0 HKABRN O=C(Nc1ccccc1Sc1ccccc1)c1snnc1-c1ccc(Cl)cc1 ZINC000225771785 527435878 /nfs/dbraw/zinc/43/58/78/527435878.db2.gz HYUFDILQRXPLCB-UHFFFAOYSA-N 0 0 423.950 6.262 40 0 HKABRN O=C(Nc1ccccc1Oc1ccccc1)c1snnc1-c1ccc(Cl)cc1 ZINC000225771889 568673237 /nfs/dbraw/zinc/67/32/37/568673237.db2.gz WIXBQIQUKTXLTM-UHFFFAOYSA-N 0 0 407.882 5.903 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)c2snnc2-c2ccc(Cl)cc2)cc1 ZINC000225771961 568673434 /nfs/dbraw/zinc/67/34/34/568673434.db2.gz GTWQDQUREYUHSF-UHFFFAOYSA-N 0 0 415.902 5.068 40 0 HKABRN O=C(NC(c1ccccc1)c1ccccc1)c1snnc1-c1ccc(Cl)cc1 ZINC000225772061 568673269 /nfs/dbraw/zinc/67/32/69/568673269.db2.gz YHIDESOZBFNBLN-UHFFFAOYSA-N 0 0 405.910 5.378 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c2ccccc12 ZINC000225772887 568673307 /nfs/dbraw/zinc/67/33/07/568673307.db2.gz GSECHNUSMXOPCS-UHFFFAOYSA-N 0 0 403.522 5.624 40 0 HKABRN Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)c4ccccc34)CCOCC2)c1 ZINC000225772915 524329256 /nfs/dbraw/zinc/32/92/56/524329256.db2.gz JOXCNKFREDVNSR-UHFFFAOYSA-N 0 0 403.522 5.622 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c2ccccc12 ZINC000225772948 568673291 /nfs/dbraw/zinc/67/32/91/568673291.db2.gz NYUKCLCUUQWXEB-UHFFFAOYSA-N 0 0 417.549 6.014 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c2ccccc12 ZINC000225772985 568673274 /nfs/dbraw/zinc/67/32/74/568673274.db2.gz NMODJXIVKBBWNI-HXUWFJFHSA-N 0 0 417.549 6.012 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c2ccccc12 ZINC000225773010 568673403 /nfs/dbraw/zinc/67/34/03/568673403.db2.gz NMODJXIVKBBWNI-FQEVSTJZSA-N 0 0 417.549 6.012 40 0 HKABRN Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CCOCC2)c1 ZINC000225773046 568673363 /nfs/dbraw/zinc/67/33/63/568673363.db2.gz GMJBJFWEGNPQHJ-UHFFFAOYSA-N 0 0 417.549 5.870 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C(F)(F)F ZINC000225773120 568673302 /nfs/dbraw/zinc/67/33/02/568673302.db2.gz FTLSQMWFUGPIRL-UHFFFAOYSA-N 0 0 407.432 5.099 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c2ccccc12 ZINC000225774233 568673526 /nfs/dbraw/zinc/67/35/26/568673526.db2.gz XEYPXHYUZYUBTK-UHFFFAOYSA-N 0 0 403.522 5.624 40 0 HKABRN Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ccccc34)CCOCC2)cc1 ZINC000225774263 568673722 /nfs/dbraw/zinc/67/37/22/568673722.db2.gz YUAQYPMRVKTOIF-UHFFFAOYSA-N 0 0 403.522 5.622 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c2ccccc12 ZINC000225774295 568673518 /nfs/dbraw/zinc/67/35/18/568673518.db2.gz WPYOMDFOVHDNET-UHFFFAOYSA-N 0 0 417.549 6.014 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c2ccccc12 ZINC000225774329 522265338 /nfs/dbraw/zinc/26/53/38/522265338.db2.gz NGGFMPIPDHZZPT-HXUWFJFHSA-N 0 0 417.549 6.012 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c2ccccc12 ZINC000225774345 568673491 /nfs/dbraw/zinc/67/34/91/568673491.db2.gz NGGFMPIPDHZZPT-FQEVSTJZSA-N 0 0 417.549 6.012 40 0 HKABRN Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CCOCC2)cc1 ZINC000225774372 568673638 /nfs/dbraw/zinc/67/36/38/568673638.db2.gz RGPZPYHUGRMRRY-UHFFFAOYSA-N 0 0 417.549 5.870 40 0 HKABRN Cc1ccc(-c2nnc(NC(=O)c3ccc(CSc4ccccc4)cc3)s2)cc1 ZINC000225774422 568673665 /nfs/dbraw/zinc/67/36/65/568673665.db2.gz VZJLOKUXHSPQKE-UHFFFAOYSA-N 0 0 417.559 6.058 40 0 HKABRN Cc1ccc(-c2nnsc2C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000225774734 568673522 /nfs/dbraw/zinc/67/35/22/568673522.db2.gz LZARULMPQXXIDF-UHFFFAOYSA-N 0 0 401.491 5.345 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2ccccc12 ZINC000225775454 568673594 /nfs/dbraw/zinc/67/35/94/568673594.db2.gz NRTMCKMUCCPVQQ-UHFFFAOYSA-N 0 0 407.485 5.455 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2ccccc12 ZINC000225775486 568673611 /nfs/dbraw/zinc/67/36/11/568673611.db2.gz FAGYCZWFMNWDRI-UHFFFAOYSA-N 0 0 407.485 5.453 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2ccccc12 ZINC000225775521 520886314 /nfs/dbraw/zinc/88/63/14/520886314.db2.gz NETRTQHNXNKOHP-UHFFFAOYSA-N 0 0 421.512 5.845 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2ccccc12 ZINC000225775557 522264799 /nfs/dbraw/zinc/26/47/99/522264799.db2.gz ZBHSZURZQGCWQX-GOSISDBHSA-N 0 0 421.512 5.843 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2ccccc12 ZINC000225775584 568673566 /nfs/dbraw/zinc/67/35/66/568673566.db2.gz ZBHSZURZQGCWQX-SFHVURJKSA-N 0 0 421.512 5.843 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2ccccc12 ZINC000225775618 519763363 /nfs/dbraw/zinc/76/33/63/519763363.db2.gz VKVKEMHPVSLFKX-UHFFFAOYSA-N 0 0 421.512 5.701 40 0 HKABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000225775723 568673585 /nfs/dbraw/zinc/67/35/85/568673585.db2.gz FBIIAXDBESXRLH-LJQANCHMSA-N 0 0 401.506 5.550 40 0 HKABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000225775749 525951131 /nfs/dbraw/zinc/95/11/31/525951131.db2.gz FBIIAXDBESXRLH-IBGZPJMESA-N 0 0 401.506 5.550 40 0 HKABRN Cc1ccc(-c2nnsc2C(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000225776234 568673516 /nfs/dbraw/zinc/67/35/16/568673516.db2.gz DKZNXZQHYKUIII-UHFFFAOYSA-N 0 0 403.532 5.917 40 0 HKABRN Cc1ccc(-c2nnsc2C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000225776268 568673688 /nfs/dbraw/zinc/67/36/88/568673688.db2.gz HDYBBKAUNXOHKN-UHFFFAOYSA-N 0 0 421.909 6.212 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2ccccc12 ZINC000225776826 568673648 /nfs/dbraw/zinc/67/36/48/568673648.db2.gz ZPGBPOFQCPUWFH-UHFFFAOYSA-N 0 0 407.485 5.455 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2ccccc12 ZINC000225776852 568673969 /nfs/dbraw/zinc/67/39/69/568673969.db2.gz YAUZEEPESGENEB-UHFFFAOYSA-N 0 0 407.485 5.453 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2ccccc12 ZINC000225776877 520882499 /nfs/dbraw/zinc/88/24/99/520882499.db2.gz RXSNNBKYPCLYNY-UHFFFAOYSA-N 0 0 421.512 5.845 40 0 HKABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2ccccc12 ZINC000225776912 568673967 /nfs/dbraw/zinc/67/39/67/568673967.db2.gz BBDDLTPPGQRCQG-GOSISDBHSA-N 0 0 421.512 5.843 40 0 HKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2ccccc12 ZINC000225776936 521768579 /nfs/dbraw/zinc/76/85/79/521768579.db2.gz BBDDLTPPGQRCQG-SFHVURJKSA-N 0 0 421.512 5.843 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2ccccc12 ZINC000225776963 568673916 /nfs/dbraw/zinc/67/39/16/568673916.db2.gz XEMVGEKDSADWCA-UHFFFAOYSA-N 0 0 421.512 5.701 40 0 HKABRN COc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C(F)(F)F ZINC000225776994 524469614 /nfs/dbraw/zinc/46/96/14/524469614.db2.gz XSWXULWPKPYKJQ-UHFFFAOYSA-N 0 0 413.823 5.054 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1cccc2ccccc21 ZINC000225777085 568673877 /nfs/dbraw/zinc/67/38/77/568673877.db2.gz DDXVFXSCURCSHZ-AREMUKBSSA-N 0 0 401.550 5.625 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1cccc2ccccc21 ZINC000225777103 522875767 /nfs/dbraw/zinc/87/57/67/522875767.db2.gz DDXVFXSCURCSHZ-SANMLTNESA-N 0 0 401.550 5.625 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2ccccc12 ZINC000225778114 568673910 /nfs/dbraw/zinc/67/39/10/568673910.db2.gz XZGTUQRZJJMEQS-UHFFFAOYSA-N 0 0 409.913 5.579 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2ccccc12 ZINC000225778149 568673972 /nfs/dbraw/zinc/67/39/72/568673972.db2.gz RAXNPPUWRXMWOT-UHFFFAOYSA-N 0 0 423.940 5.969 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2ccccc12 ZINC000225778190 568673966 /nfs/dbraw/zinc/67/39/66/568673966.db2.gz CCICTWLONVFUEX-UHFFFAOYSA-N 0 0 423.940 5.967 40 0 HKABRN O=C(NCc1ccc(-n2ccnc2)cc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000225778224 568673860 /nfs/dbraw/zinc/67/38/60/568673860.db2.gz PATXTVSVMHASGQ-UHFFFAOYSA-N 0 0 417.896 5.035 40 0 HKABRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C(F)(F)F ZINC000225778342 568674111 /nfs/dbraw/zinc/67/41/11/568674111.db2.gz VIWRKYIVPSCOMS-UHFFFAOYSA-N 0 0 413.823 5.054 40 0 HKABRN O=C(NCCCN1CCc2ccccc21)c1cccc(OCc2ccccc2Cl)c1 ZINC000225779209 568674267 /nfs/dbraw/zinc/67/42/67/568674267.db2.gz YQWKLVKRESQHNF-UHFFFAOYSA-N 0 0 420.940 5.102 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2ccccc12 ZINC000225779317 568674203 /nfs/dbraw/zinc/67/42/03/568674203.db2.gz AOLWUOLIWYNTJD-UHFFFAOYSA-N 0 0 409.913 5.579 40 0 HKABRN O=C(NCCCOC1CCCCC1)c1cccc(OCc2ccccc2Cl)c1 ZINC000225779342 568674069 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COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000225779987 568674169 /nfs/dbraw/zinc/67/41/69/568674169.db2.gz HATKNNQVRRDSEW-DEOSSOPVSA-N 0 0 421.924 5.735 40 0 HKABRN COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000225780002 568674223 /nfs/dbraw/zinc/67/42/23/568674223.db2.gz HATKNNQVRRDSEW-XMMPIXPASA-N 0 0 421.924 5.735 40 0 HKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1snnc1-c1ccc(F)cc1 ZINC000225780014 527173772 /nfs/dbraw/zinc/17/37/72/527173772.db2.gz SJXFJZLCPXJFAF-UHFFFAOYSA-N 0 0 401.772 5.269 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1snnc1-c1ccc(F)cc1 ZINC000225780039 527103804 /nfs/dbraw/zinc/10/38/04/527103804.db2.gz BLILQZVZNONHQT-UHFFFAOYSA-N 0 0 401.772 5.269 40 0 HKABRN S=C(NCCOc1ccccc1Cl)Nc1ccc(Br)c(Cl)c1 ZINC000225780178 568674206 /nfs/dbraw/zinc/67/42/06/568674206.db2.gz URAVDDZGOKIVTN-UHFFFAOYSA-N 0 0 420.159 5.121 40 0 HKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1snnc1-c1ccc(F)cc1 ZINC000225780180 568674093 /nfs/dbraw/zinc/67/40/93/568674093.db2.gz DEDPBMKNLALTPT-UHFFFAOYSA-N 0 0 405.454 5.176 40 0 HKABRN O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(OCc2ccccc2Cl)c1 ZINC000225780389 568674226 /nfs/dbraw/zinc/67/42/26/568674226.db2.gz CRLRIJLNFYUSSW-UHFFFAOYSA-N 0 0 420.896 5.298 40 0 HKABRN O=C(c1snnc1-c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000225780582 568674209 /nfs/dbraw/zinc/67/42/09/568674209.db2.gz ACVJBDMAADLWSZ-UHFFFAOYSA-N 0 0 403.482 5.187 40 0 HKABRN CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000225780787 568674437 /nfs/dbraw/zinc/67/44/37/568674437.db2.gz PBPTZAZQEHXVGY-UHFFFAOYSA-N 0 0 400.305 5.845 40 0 HKABRN O=C(NCCOc1ccccc1Cl)c1cccc(OCc2ccccc2Cl)c1 ZINC000225780857 568674506 /nfs/dbraw/zinc/67/45/06/568674506.db2.gz FFGHWZRUXFQJEH-UHFFFAOYSA-N 0 0 416.304 5.381 40 0 HKABRN Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1C ZINC000225780990 568674458 /nfs/dbraw/zinc/67/44/58/568674458.db2.gz SALSTHZEIOLMOD-LJQANCHMSA-N 0 0 423.940 5.733 40 0 HKABRN Cc1ccc(OC[C@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1C ZINC000225781008 568674366 /nfs/dbraw/zinc/67/43/66/568674366.db2.gz SALSTHZEIOLMOD-IBGZPJMESA-N 0 0 423.940 5.733 40 0 HKABRN O=C(Nc1ccccc1Sc1ccccc1)c1snnc1-c1ccc(F)cc1 ZINC000225781394 568674495 /nfs/dbraw/zinc/67/44/95/568674495.db2.gz LETLYGMNCNVDBO-UHFFFAOYSA-N 0 0 407.495 5.748 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c2ccccc12 ZINC000225781779 568674431 /nfs/dbraw/zinc/67/44/31/568674431.db2.gz DWOUEJWOVFSMJZ-UHFFFAOYSA-N 0 0 419.521 5.324 40 0 HKABRN COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ccccc34)CCOCC2)cc1 ZINC000225781820 568674388 /nfs/dbraw/zinc/67/43/88/568674388.db2.gz HIDLFHMHCNLRJZ-UHFFFAOYSA-N 0 0 419.521 5.323 40 0 HKABRN C[C@@H](COc1ccccc1)NC(=S)Nc1ccc(CSc2ccccc2)cc1 ZINC000225782537 568674443 /nfs/dbraw/zinc/67/44/43/568674443.db2.gz GRASLOZMOLCORJ-SFHVURJKSA-N 0 0 408.592 5.733 40 0 HKABRN C[C@H](COc1ccccc1)NC(=S)Nc1ccc(CSc2ccccc2)cc1 ZINC000225782557 568674435 /nfs/dbraw/zinc/67/44/35/568674435.db2.gz GRASLOZMOLCORJ-GOSISDBHSA-N 0 0 408.592 5.733 40 0 HKABRN O=C(Cc1ccc(Cl)cc1F)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000225782771 527224602 /nfs/dbraw/zinc/22/46/02/527224602.db2.gz CIRXSLLOULPRPN-UHFFFAOYSA-N 0 0 401.840 5.056 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1snnc1-c1ccc(Br)cc1 ZINC000225783097 568674531 /nfs/dbraw/zinc/67/45/31/568674531.db2.gz JMSBGAWSGSHAHP-UHFFFAOYSA-N 0 0 402.317 5.091 40 0 HKABRN CC(C)c1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)cc1 ZINC000225783258 568674517 /nfs/dbraw/zinc/67/45/17/568674517.db2.gz LSRUCLOMPAVQPR-UHFFFAOYSA-N 0 0 402.317 5.343 40 0 HKABRN O=C(Nc1cccc2ccccc21)c1snnc1-c1ccc(Br)cc1 ZINC000225783292 568674568 /nfs/dbraw/zinc/67/45/68/568674568.db2.gz SAQFTCZCDICTHU-UHFFFAOYSA-N 0 0 410.296 5.373 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)c1snnc1-c1ccc(Br)cc1 ZINC000225783628 568674738 /nfs/dbraw/zinc/67/47/38/568674738.db2.gz OQQBCJBQZGKPMU-UHFFFAOYSA-N 0 0 408.708 5.182 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)c1snnc1-c1ccc(Br)cc1 ZINC000225783655 568674747 /nfs/dbraw/zinc/67/47/47/568674747.db2.gz GHZOKTYYUVJZHZ-UHFFFAOYSA-N 0 0 408.708 5.182 40 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5.345 40 0 HKABRN COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225786317 524682159 /nfs/dbraw/zinc/68/21/59/524682159.db2.gz YQWRFFLYTBUJBL-LLVKDONJSA-N 0 0 418.868 5.121 40 0 HKABRN COc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225786342 568674771 /nfs/dbraw/zinc/67/47/71/568674771.db2.gz YQWRFFLYTBUJBL-NSHDSACASA-N 0 0 418.868 5.121 40 0 HKABRN C[C@@H](NC(=O)c1snnc1-c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000225786461 568674600 /nfs/dbraw/zinc/67/46/00/568674600.db2.gz UBNIUSMJRPYKDM-SNVBAGLBSA-N 0 0 422.735 5.112 40 0 HKABRN C[C@H](NC(=O)c1snnc1-c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000225786483 568674714 /nfs/dbraw/zinc/67/47/14/568674714.db2.gz UBNIUSMJRPYKDM-JTQLQIEISA-N 0 0 422.735 5.112 40 0 HKABRN CCSc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 ZINC000225786686 568674555 /nfs/dbraw/zinc/67/45/55/568674555.db2.gz DVRUUWXTMFDBBM-HKWRFOASSA-N 0 0 422.575 5.578 40 0 HKABRN Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(Br)c(C)c2)cc1C ZINC000225790013 568674878 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C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000225793734 525952070 /nfs/dbraw/zinc/95/20/70/525952070.db2.gz NUUYZOLIWUAKRL-ZDUSSCGKSA-N 0 0 413.930 5.143 40 0 HKABRN Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225793956 568675224 /nfs/dbraw/zinc/67/52/24/568675224.db2.gz SKPFUAPDLRFWQK-UHFFFAOYSA-N 0 0 405.807 5.300 40 0 HKABRN Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000225793987 568675077 /nfs/dbraw/zinc/67/50/77/568675077.db2.gz GHGDUPDGORHACC-UHFFFAOYSA-N 0 0 405.807 5.300 40 0 HKABRN Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000225794162 568675084 /nfs/dbraw/zinc/67/50/84/568675084.db2.gz RPQLCMIFGOZVBE-UHFFFAOYSA-N 0 0 409.489 5.207 40 0 HKABRN Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccccc1Sc1ccccc1 ZINC000225795317 568675206 /nfs/dbraw/zinc/67/52/06/568675206.db2.gz DBDGCVQCJGTJQA-UHFFFAOYSA-N 0 0 411.530 5.779 40 0 HKABRN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc2c(ccc3ccccc23)o1 ZINC000225796630 568675391 /nfs/dbraw/zinc/67/53/91/568675391.db2.gz 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413.758 5.119 40 0 HKABRN O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000225799926 568675714 /nfs/dbraw/zinc/67/57/14/568675714.db2.gz LKYQOKNSLWQRRF-UHFFFAOYSA-N 0 0 413.758 5.119 40 0 HKABRN O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccc(OCc2ccccc2)cc1 ZINC000225800086 568675674 /nfs/dbraw/zinc/67/56/74/568675674.db2.gz BHOSZOVSEFOWQL-UHFFFAOYSA-N 0 0 417.440 5.026 40 0 HKABRN O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccc(Oc2ccccc2)cc1 ZINC000225800113 568675609 /nfs/dbraw/zinc/67/56/09/568675609.db2.gz UOHPFNFGEQHJIQ-UHFFFAOYSA-N 0 0 403.413 5.239 40 0 HKABRN O=C(CCc1nc(-c2cccc(F)c2)no1)N(Cc1ccccc1)Cc1ccccc1 ZINC000225800649 568675759 /nfs/dbraw/zinc/67/57/59/568675759.db2.gz DAZPQHQJOCCXMM-UHFFFAOYSA-N 0 0 415.468 5.037 40 0 HKABRN O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccccc1Sc1ccccc1 ZINC000225801353 568675570 /nfs/dbraw/zinc/67/55/70/568675570.db2.gz ARDAYLAEHORHQW-UHFFFAOYSA-N 0 0 419.481 5.598 40 0 HKABRN O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccccc1Oc1ccccc1 ZINC000225801477 526644624 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O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1cccc2ccccc21 ZINC000225803390 568676004 /nfs/dbraw/zinc/67/60/04/568676004.db2.gz YZLIXGKEXXQFMZ-UHFFFAOYSA-N 0 0 411.383 5.480 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000225803705 568675880 /nfs/dbraw/zinc/67/58/80/568675880.db2.gz QTACNHCFYISLHI-UHFFFAOYSA-N 0 0 409.795 5.289 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000225803732 568675924 /nfs/dbraw/zinc/67/59/24/568675924.db2.gz YXFXSYRVJGQMSM-UHFFFAOYSA-N 0 0 409.795 5.289 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000225803753 568676031 /nfs/dbraw/zinc/67/60/31/568676031.db2.gz HDOMANSSYBFGHT-UHFFFAOYSA-N 0 0 409.795 5.289 40 0 HKABRN COc1ccc(SCCCNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 ZINC000225803768 568675950 /nfs/dbraw/zinc/67/59/50/568675950.db2.gz LDAXDGUQSLAZKZ-UHFFFAOYSA-N 0 0 416.612 5.485 40 0 HKABRN Cc1ccc(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1Cl ZINC000225803779 525038305 /nfs/dbraw/zinc/03/83/05/525038305.db2.gz 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ZINC000225805659 568675959 /nfs/dbraw/zinc/67/59/59/568675959.db2.gz GXFAGTMGSPNNNZ-UHFFFAOYSA-N 0 0 403.404 5.252 40 0 HKABRN CCc1cccc(CC)c1NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000225805680 524067690 /nfs/dbraw/zinc/06/76/90/524067690.db2.gz WLGCNEURYSVFBK-UHFFFAOYSA-N 0 0 417.431 5.452 40 0 HKABRN C[C@@H](NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(Cl)cc1 ZINC000225806055 525095023 /nfs/dbraw/zinc/09/50/23/525095023.db2.gz DPOYJVHSMQNZSK-GFCCVEGCSA-N 0 0 423.822 5.219 40 0 HKABRN C[C@H](NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(Cl)cc1 ZINC000225806072 568675999 /nfs/dbraw/zinc/67/59/99/568675999.db2.gz DPOYJVHSMQNZSK-LBPRGKRZSA-N 0 0 423.822 5.219 40 0 HKABRN Cc1cc(NC(=S)NCCCc2ccc(C(C)C)cc2)ccc1Br ZINC000225806631 568676257 /nfs/dbraw/zinc/67/62/57/568676257.db2.gz IIRRXDMLBMBKOS-UHFFFAOYSA-N 0 0 405.405 5.800 40 0 HKABRN CC(C)c1ccc(CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000225806666 568676276 /nfs/dbraw/zinc/67/62/76/568676276.db2.gz SHUFANMBMREDJL-UHFFFAOYSA-N 0 0 414.924 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CCC1(CC)C[C@@H](NC(=O)COc2cccc(C(F)(F)F)c2)c2ccccc2O1 ZINC000225809019 568676283 /nfs/dbraw/zinc/67/62/83/568676283.db2.gz MIQWNIRTHWOYQZ-GOSISDBHSA-N 0 0 407.432 5.283 40 0 HKABRN CCC1(CC)C[C@H](NC(=O)COc2cccc(C(F)(F)F)c2)c2ccccc2O1 ZINC000225809035 568676058 /nfs/dbraw/zinc/67/60/58/568676058.db2.gz MIQWNIRTHWOYQZ-SFHVURJKSA-N 0 0 407.432 5.283 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)NCCCc2cccc3ccccc32)c1C ZINC000225809067 568676167 /nfs/dbraw/zinc/67/61/67/568676167.db2.gz WPJVLBSPYLAQQY-UHFFFAOYSA-N 0 0 406.551 5.244 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=S)NCCCc2cccc3ccccc32)c1 ZINC000225809090 568676524 /nfs/dbraw/zinc/67/65/24/568676524.db2.gz VBXLGOFNPGJTSU-UHFFFAOYSA-N 0 0 406.551 5.244 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)NCCCc2cccc3ccccc32)c(C)c1 ZINC000225809110 568676508 /nfs/dbraw/zinc/67/65/08/568676508.db2.gz JCERMYPWNCVWTJ-UHFFFAOYSA-N 0 0 406.551 5.244 40 0 HKABRN S=C(NCCCc1cccc2ccccc21)Nc1ccc(OC2CCCC2)cc1 ZINC000225809305 568676409 /nfs/dbraw/zinc/67/64/09/568676409.db2.gz 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CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 ZINC000225823315 568677688 /nfs/dbraw/zinc/67/76/88/568677688.db2.gz YNSPRMUMBUQSRN-GOSISDBHSA-N 0 0 421.578 5.457 40 0 HKABRN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 ZINC000225823342 568677751 /nfs/dbraw/zinc/67/77/51/568677751.db2.gz LQGSVYYOEAONKZ-UHFFFAOYSA-N 0 0 421.578 5.314 40 0 HKABRN CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1C(=O)OC ZINC000225823369 520883314 /nfs/dbraw/zinc/88/33/14/520883314.db2.gz CTEIJBOGVFKEPK-UHFFFAOYSA-N 0 0 421.578 5.458 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C(CC(C)C)(CC(C)C)OCC)ccc1OCC ZINC000225823424 568677711 /nfs/dbraw/zinc/67/77/11/568677711.db2.gz TUCDLVYCRKONTG-UHFFFAOYSA-N 0 0 407.551 5.068 40 0 HKABRN CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1C(=O)OCC ZINC000225823444 568677786 /nfs/dbraw/zinc/67/77/86/568677786.db2.gz KBFVGICSLDWRPB-UHFFFAOYSA-N 0 0 421.578 5.458 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C(CC(C)C)(CC(C)C)OCC)ccc1OC(C)C ZINC000225823468 568677743 /nfs/dbraw/zinc/67/77/43/568677743.db2.gz UBHZKYDCYSLSRF-UHFFFAOYSA-N 0 0 421.578 5.457 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccccc2C)c1 ZINC000225823680 524167825 /nfs/dbraw/zinc/16/78/25/524167825.db2.gz SRBLTLHRNTWFCF-CEZZIEKDSA-N 0 0 404.535 5.013 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccccc2C)c1 ZINC000225823696 568677938 /nfs/dbraw/zinc/67/79/38/568677938.db2.gz SRBLTLHRNTWFCF-OSVNEOKWSA-N 0 0 404.535 5.013 40 0 HKABRN CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)c2ccccc12 ZINC000225824155 520883044 /nfs/dbraw/zinc/88/30/44/520883044.db2.gz XLWRNAPNDCHNLC-UHFFFAOYSA-N 0 0 413.602 6.825 40 0 HKABRN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 ZINC000225824190 568677986 /nfs/dbraw/zinc/67/79/86/568677986.db2.gz VPHYMKDWJVGXHI-FQEVSTJZSA-N 0 0 413.602 6.823 40 0 HKABRN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 ZINC000225824208 521628460 /nfs/dbraw/zinc/62/84/60/521628460.db2.gz VPHYMKDWJVGXHI-HXUWFJFHSA-N 0 0 413.602 6.823 40 0 HKABRN COc1cccc(-c2noc(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)c1 ZINC000225824228 568677931 /nfs/dbraw/zinc/67/79/31/568677931.db2.gz VZSHHLFQSGLTKY-UHFFFAOYSA-N 0 0 415.449 5.109 40 0 HKABRN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 ZINC000225824237 568677916 /nfs/dbraw/zinc/67/79/16/568677916.db2.gz KLSXDGPHIJLTKO-UHFFFAOYSA-N 0 0 413.602 6.681 40 0 HKABRN O=C(Nc1cccc(Cl)c1)N1CCC2(CC1)CC(=O)c1c(ccc3ccccc31)O2 ZINC000225824420 527340495 /nfs/dbraw/zinc/34/04/95/527340495.db2.gz FTWFPHTUXCPODC-UHFFFAOYSA-N 0 0 420.896 5.525 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)N1CCC2(CC1)CC(=O)c1c(ccc3ccccc31)O2 ZINC000225824448 527178748 /nfs/dbraw/zinc/17/87/48/527178748.db2.gz XXCGTWHWOLYQMD-UHFFFAOYSA-N 0 0 420.896 5.525 40 0 HKABRN COc1cccc(-c2noc(CCC(=O)Nc3ccccc3Oc3ccccc3)n2)c1 ZINC000225825106 568678260 /nfs/dbraw/zinc/67/82/60/568678260.db2.gz MHJSLMLTFDKXCY-UHFFFAOYSA-N 0 0 415.449 5.109 40 0 HKABRN O=C(Nc1cccc(Cl)c1)N1CCC2(CC1)CC(=O)c1ccc3ccccc3c1O2 ZINC000225825128 568678300 /nfs/dbraw/zinc/67/83/00/568678300.db2.gz UBNRTJSYCIPLKX-UHFFFAOYSA-N 0 0 420.896 5.525 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)N1CCC2(CC1)CC(=O)c1ccc3ccccc3c1O2 ZINC000225825153 568678167 /nfs/dbraw/zinc/67/81/67/568678167.db2.gz ICJJDEGMIUMZRG-UHFFFAOYSA-N 0 0 420.896 5.525 40 0 HKABRN COc1ccc(OC)c([C@@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 ZINC000225825432 568678281 /nfs/dbraw/zinc/67/82/81/568678281.db2.gz LTOQUGVUDPZPAQ-GFCCVEGCSA-N 0 0 414.354 5.121 40 0 HKABRN COc1ccc(OC)c([C@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 ZINC000225825452 568678291 /nfs/dbraw/zinc/67/82/91/568678291.db2.gz LTOQUGVUDPZPAQ-LBPRGKRZSA-N 0 0 414.354 5.121 40 0 HKABRN O=C(Nc1cccc(Cl)c1)N1CCC2(CC1)CC(=O)c1cc3c(cc1O2)CCCC3 ZINC000225825956 527341262 /nfs/dbraw/zinc/34/12/62/527341262.db2.gz NBYGPOMVDDAQLC-UHFFFAOYSA-N 0 0 424.928 5.251 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)N1CCC2(CC1)CC(=O)c1cc3c(cc1O2)CCCC3 ZINC000225825981 568678277 /nfs/dbraw/zinc/67/82/77/568678277.db2.gz GKOJBOQPRYZITK-UHFFFAOYSA-N 0 0 424.928 5.251 40 0 HKABRN O=C(Nc1cccc(Cl)c1)N1CCC2(CC1)CC(=O)c1ccc(Cl)cc1O2 ZINC000225826700 568678174 /nfs/dbraw/zinc/67/81/74/568678174.db2.gz OGOYAVQCFBKEMH-UHFFFAOYSA-N 0 0 405.281 5.025 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)N1CCC2(CC1)CC(=O)c1ccc(Cl)cc1O2 ZINC000225826729 568678275 /nfs/dbraw/zinc/67/82/75/568678275.db2.gz XLMXMXIYIKRWQB-UHFFFAOYSA-N 0 0 405.281 5.025 40 0 HKABRN CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCC)c(C(=O)OCC)c1 ZINC000225826963 520297560 /nfs/dbraw/zinc/29/75/60/520297560.db2.gz LLMLNPQRNMWECQ-HSZRJFAPSA-N 0 0 407.551 5.356 40 0 HKABRN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCC)c(C(=O)OCC)c1 ZINC000225826982 520317467 /nfs/dbraw/zinc/31/74/67/520317467.db2.gz LLMLNPQRNMWECQ-QHCPKHFHSA-N 0 0 407.551 5.356 40 0 HKABRN CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 ZINC000225827007 568678288 /nfs/dbraw/zinc/67/82/88/568678288.db2.gz PPGLYYWEMNVRBD-GAJHUEQPSA-N 0 0 407.551 5.355 40 0 HKABRN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 ZINC000225827031 568678228 /nfs/dbraw/zinc/67/82/28/568678228.db2.gz PPGLYYWEMNVRBD-SBUREZEXSA-N 0 0 407.551 5.355 40 0 HKABRN CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 ZINC000225827052 520296419 /nfs/dbraw/zinc/29/64/19/520296419.db2.gz PPGLYYWEMNVRBD-UZUQRXQVSA-N 0 0 407.551 5.355 40 0 HKABRN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 ZINC000225827075 568678218 /nfs/dbraw/zinc/67/82/18/568678218.db2.gz PPGLYYWEMNVRBD-HXOBKFHXSA-N 0 0 407.551 5.355 40 0 HKABRN CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 ZINC000225827105 520297397 /nfs/dbraw/zinc/29/73/97/520297397.db2.gz WKGSMVNDBATULH-HSZRJFAPSA-N 0 0 407.551 5.212 40 0 HKABRN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 ZINC000225827125 568678197 /nfs/dbraw/zinc/67/81/97/568678197.db2.gz WKGSMVNDBATULH-QHCPKHFHSA-N 0 0 407.551 5.212 40 0 HKABRN O=C(CCc1nc(-c2cccc3ccccc32)no1)Nc1ccccc1Br ZINC000225828144 568678382 /nfs/dbraw/zinc/67/83/82/568678382.db2.gz KQXNCEVZDBNFPN-UHFFFAOYSA-N 0 0 422.282 5.224 40 0 HKABRN O=C(CCc1nc(-c2cccc3ccccc32)no1)Nc1cccc(Br)c1 ZINC000225828167 568678583 /nfs/dbraw/zinc/67/85/83/568678583.db2.gz FQJRSMBUZJXJIM-UHFFFAOYSA-N 0 0 422.282 5.224 40 0 HKABRN O=C(Nc1cccc(Cl)c1)N1CCC2(CC1)CC(=O)c1cccc(Cl)c1O2 ZINC000225828185 568678590 /nfs/dbraw/zinc/67/85/90/568678590.db2.gz JCGFONWRIGYYOJ-UHFFFAOYSA-N 0 0 405.281 5.025 40 0 HKABRN O=C(CCc1nc(-c2cccc3ccccc32)no1)Nc1ccc(Br)cc1 ZINC000225828196 568678387 /nfs/dbraw/zinc/67/83/87/568678387.db2.gz NQBGIMAGZGUQGD-UHFFFAOYSA-N 0 0 422.282 5.224 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)N1CCC2(CC1)CC(=O)c1cccc(Cl)c1O2 ZINC000225828208 568678341 /nfs/dbraw/zinc/67/83/41/568678341.db2.gz MVOYGZZCJISWCT-UHFFFAOYSA-N 0 0 405.281 5.025 40 0 HKABRN O=C(CCc1nc(-c2cccc3ccccc32)no1)Nc1cccc(Cl)c1Cl ZINC000225828359 568678404 /nfs/dbraw/zinc/67/84/04/568678404.db2.gz YTOBPHGVEHCQEC-UHFFFAOYSA-N 0 0 412.276 5.768 40 0 HKABRN O=C(CCc1nc(-c2cccc3ccccc32)no1)Nc1ccc(Cl)cc1Cl ZINC000225828383 568678391 /nfs/dbraw/zinc/67/83/91/568678391.db2.gz PYNVJDXRULPFRH-UHFFFAOYSA-N 0 0 412.276 5.768 40 0 HKABRN O=C(CCc1nc(-c2cccc3ccccc32)no1)Nc1cc(Cl)ccc1Cl ZINC000225828407 568678448 /nfs/dbraw/zinc/67/84/48/568678448.db2.gz LAFRQQOKCKUGRK-UHFFFAOYSA-N 0 0 412.276 5.768 40 0 HKABRN O=C(CCc1nc(-c2cccc3ccccc32)no1)Nc1c(Cl)cccc1Cl ZINC000225828429 568678511 /nfs/dbraw/zinc/67/85/11/568678511.db2.gz DQVCFWBRVPQEMQ-UHFFFAOYSA-N 0 0 412.276 5.768 40 0 HKABRN O=C(CCc1nc(-c2cccc3ccccc32)no1)Nc1ccc(Cl)c(Cl)c1 ZINC000225828453 568678515 /nfs/dbraw/zinc/67/85/15/568678515.db2.gz LWMIUKJNLINVSZ-UHFFFAOYSA-N 0 0 412.276 5.768 40 0 HKABRN O=C(CCc1nc(-c2cccc3ccccc32)no1)Nc1cc(Cl)cc(Cl)c1 ZINC000225828473 568678363 /nfs/dbraw/zinc/67/83/63/568678363.db2.gz WRLRWHNXIBEPGZ-UHFFFAOYSA-N 0 0 412.276 5.768 40 0 HKABRN O=C(CCc1nc(-c2cccc3ccccc32)no1)Nc1cccc(C(F)(F)F)c1 ZINC000225828603 568678370 /nfs/dbraw/zinc/67/83/70/568678370.db2.gz XWAODJGJYPVPRT-UHFFFAOYSA-N 0 0 411.383 5.480 40 0 HKABRN O=C(CCc1nc(-c2cccc3ccccc32)no1)Nc1ccc(C(F)(F)F)cc1 ZINC000225828631 526645352 /nfs/dbraw/zinc/64/53/52/526645352.db2.gz PTMMOJHLSUTBHN-UHFFFAOYSA-N 0 0 411.383 5.480 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)CCc1nc(-c2cccc3ccccc32)no1 ZINC000225828990 524221862 /nfs/dbraw/zinc/22/18/62/524221862.db2.gz YZFFIOUHPFPYGD-UHFFFAOYSA-N 0 0 407.857 5.123 40 0 HKABRN COc1ccc(NC(=O)CCc2nc(-c3cccc4ccccc43)no2)cc1Cl ZINC000225829008 568678736 /nfs/dbraw/zinc/67/87/36/568678736.db2.gz VUIAEDGCEXOFPC-UHFFFAOYSA-N 0 0 407.857 5.123 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000225829059 523045092 /nfs/dbraw/zinc/04/50/92/523045092.db2.gz IDMPIKARQOZASC-DHIUTWEWSA-N 0 0 407.554 5.450 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000225829074 568678752 /nfs/dbraw/zinc/67/87/52/568678752.db2.gz IDMPIKARQOZASC-PKTZIBPZSA-N 0 0 407.554 5.450 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000225829089 523044227 /nfs/dbraw/zinc/04/42/27/523044227.db2.gz IDMPIKARQOZASC-XZOQPEGZSA-N 0 0 407.554 5.450 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000225829103 522876981 /nfs/dbraw/zinc/87/69/81/522876981.db2.gz IDMPIKARQOZASC-GOTSBHOMSA-N 0 0 407.554 5.450 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cc1C(=O)OCC ZINC000225830605 571042031 /nfs/dbraw/zinc/04/20/31/571042031.db2.gz VWWJXNPABJBLFS-UHFFFAOYSA-N 0 0 405.535 5.110 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(OCC)CCCCCC2)ccc1O[C@@H](C)CC ZINC000225830625 571042020 /nfs/dbraw/zinc/04/20/20/571042020.db2.gz MNSJUQRMXHUEDC-KRWDZBQOSA-N 0 0 405.535 5.109 40 0 HKABRN CCOC(=O)c1cc(NC(=O)C2(OCC)CCCCCC2)ccc1O[C@H](C)CC ZINC000225830634 571042007 /nfs/dbraw/zinc/04/20/07/571042007.db2.gz MNSJUQRMXHUEDC-QGZVFWFLSA-N 0 0 405.535 5.109 40 0 HKABRN O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NCCC1=CCCCC1 ZINC000225830783 571042039 /nfs/dbraw/zinc/04/20/39/571042039.db2.gz VPJMDHCRAYIVHY-UHFFFAOYSA-N 0 0 401.510 5.343 40 0 HKABRN O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NCc1ccccc1Cl 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GUZMNFVSSYWPAL-UHFFFAOYSA-N 0 0 409.780 5.858 40 0 HKABRN COc1ccc(C2(NC(=S)Nc3cccc(Br)c3)CCCC2)cc1 ZINC000225845572 568680130 /nfs/dbraw/zinc/68/01/30/568680130.db2.gz GAIWJPVIEOLTNX-UHFFFAOYSA-N 0 0 405.361 5.214 40 0 HKABRN CCOc1ccc(C2(NC(=S)Nc3cccc(Br)c3)CCCC2)cc1 ZINC000225845596 568680147 /nfs/dbraw/zinc/68/01/47/568680147.db2.gz YRYQIUGLGWXJGE-UHFFFAOYSA-N 0 0 419.388 5.604 40 0 HKABRN S=C(Nc1cccc(Br)c1)NC1(CCc2ccccc2)CCCC1 ZINC000225845877 526385323 /nfs/dbraw/zinc/38/53/23/526385323.db2.gz YWRYWJNNPYTIFD-UHFFFAOYSA-N 0 0 403.389 5.681 40 0 HKABRN Cc1cccc(CCC2(NC(=S)Nc3cccc(Br)c3)CCCC2)c1 ZINC000225845902 524348063 /nfs/dbraw/zinc/34/80/63/524348063.db2.gz BCJFCBQFWFPQIP-UHFFFAOYSA-N 0 0 417.416 5.990 40 0 HKABRN CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OCCC)cc1C(=O)OCC ZINC000225846089 568679939 /nfs/dbraw/zinc/67/99/39/568679939.db2.gz UOSZWZMLIJEKDS-HSZRJFAPSA-N 0 0 407.551 5.356 40 0 HKABRN CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCCC)cc1C(=O)OCC ZINC000225846107 568679868 /nfs/dbraw/zinc/67/98/68/568679868.db2.gz UOSZWZMLIJEKDS-QHCPKHFHSA-N 0 0 407.551 5.356 40 0 HKABRN S=C(Nc1ccc(Br)cc1)NC1(c2ccccc2Cl)CCCC1 ZINC000225846122 568680110 /nfs/dbraw/zinc/68/01/10/568680110.db2.gz IPMAUVGFYZLZDK-UHFFFAOYSA-N 0 0 409.780 5.858 40 0 HKABRN CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 ZINC000225846133 521120201 /nfs/dbraw/zinc/12/02/01/521120201.db2.gz VVHGDKOCUMYBSW-GAJHUEQPSA-N 0 0 407.551 5.355 40 0 HKABRN COc1ccc(C2(NC(=S)Nc3ccc(Br)cc3)CCCC2)cc1 ZINC000225846146 523870964 /nfs/dbraw/zinc/87/09/64/523870964.db2.gz CVSAFCUZWOEMCY-UHFFFAOYSA-N 0 0 405.361 5.214 40 0 HKABRN CCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 ZINC000225846149 568680143 /nfs/dbraw/zinc/68/01/43/568680143.db2.gz VVHGDKOCUMYBSW-SBUREZEXSA-N 0 0 407.551 5.355 40 0 HKABRN CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 ZINC000225846165 521120314 /nfs/dbraw/zinc/12/03/14/521120314.db2.gz VVHGDKOCUMYBSW-UZUQRXQVSA-N 0 0 407.551 5.355 40 0 HKABRN CCOc1ccc(C2(NC(=S)Nc3ccc(Br)cc3)CCCC2)cc1 ZINC000225846172 568680056 /nfs/dbraw/zinc/68/00/56/568680056.db2.gz UMCLXBPAFDCHMN-UHFFFAOYSA-N 0 0 419.388 5.604 40 0 HKABRN CCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 ZINC000225846183 568680126 /nfs/dbraw/zinc/68/01/26/568680126.db2.gz VVHGDKOCUMYBSW-HXOBKFHXSA-N 0 0 407.551 5.355 40 0 HKABRN CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 ZINC000225846209 568680078 /nfs/dbraw/zinc/68/00/78/568680078.db2.gz BISYTHNOXMZNNV-HSZRJFAPSA-N 0 0 407.551 5.212 40 0 HKABRN CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 ZINC000225846225 568680123 /nfs/dbraw/zinc/68/01/23/568680123.db2.gz BISYTHNOXMZNNV-QHCPKHFHSA-N 0 0 407.551 5.212 40 0 HKABRN S=C(Nc1ccc(Br)cc1)NC1(CCc2ccccc2)CCCC1 ZINC000225846428 568680074 /nfs/dbraw/zinc/68/00/74/568680074.db2.gz PIJHFUQAXDUUPY-UHFFFAOYSA-N 0 0 403.389 5.681 40 0 HKABRN Cc1cccc(CCC2(NC(=S)Nc3ccc(Br)cc3)CCCC2)c1 ZINC000225846451 568679973 /nfs/dbraw/zinc/67/99/73/568679973.db2.gz SBYWESHKYSWEKY-UHFFFAOYSA-N 0 0 417.416 5.990 40 0 HKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 ZINC000225847674 568680196 /nfs/dbraw/zinc/68/01/96/568680196.db2.gz YLBHMOVXDXRITE-GAJHUEQPSA-N 0 0 407.551 5.355 40 0 HKABRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 ZINC000225847697 520317493 /nfs/dbraw/zinc/31/74/93/520317493.db2.gz YLBHMOVXDXRITE-SBUREZEXSA-N 0 0 407.551 5.355 40 0 HKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 ZINC000225847726 568680366 /nfs/dbraw/zinc/68/03/66/568680366.db2.gz YLBHMOVXDXRITE-UZUQRXQVSA-N 0 0 407.551 5.355 40 0 HKABRN CCOc1ccccc1NC(=S)NC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000225847737 568680354 /nfs/dbraw/zinc/68/03/54/568680354.db2.gz OTVGEDSNMUUEBB-UHFFFAOYSA-N 0 0 408.489 5.860 40 0 HKABRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 ZINC000225847743 520317062 /nfs/dbraw/zinc/31/70/62/520317062.db2.gz YLBHMOVXDXRITE-HXOBKFHXSA-N 0 0 407.551 5.355 40 0 HKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 ZINC000225847772 568680295 /nfs/dbraw/zinc/68/02/95/568680295.db2.gz WVFCTFLGVCWCTF-HSZRJFAPSA-N 0 0 407.551 5.212 40 0 HKABRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 ZINC000225847792 568680179 /nfs/dbraw/zinc/68/01/79/568680179.db2.gz WVFCTFLGVCWCTF-QHCPKHFHSA-N 0 0 407.551 5.212 40 0 HKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCC)c(C(=O)OC)c1 ZINC000225847817 568680298 /nfs/dbraw/zinc/68/02/98/568680298.db2.gz QBCSNTGFRJMTPW-HSZRJFAPSA-N 0 0 407.551 5.356 40 0 HKABRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCC)c(C(=O)OC)c1 ZINC000225847837 568680190 /nfs/dbraw/zinc/68/01/90/568680190.db2.gz QBCSNTGFRJMTPW-QHCPKHFHSA-N 0 0 407.551 5.356 40 0 HKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(C(=O)OCC)c1 ZINC000225847973 568680260 /nfs/dbraw/zinc/68/02/60/568680260.db2.gz KORCWSLVLOSJEY-HSZRJFAPSA-N 0 0 407.551 5.356 40 0 HKABRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(C(=O)OCC)c1 ZINC000225847996 568680269 /nfs/dbraw/zinc/68/02/69/568680269.db2.gz KORCWSLVLOSJEY-QHCPKHFHSA-N 0 0 407.551 5.356 40 0 HKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 ZINC000225848026 568680225 /nfs/dbraw/zinc/68/02/25/568680225.db2.gz RQKMEMMWPTYDJS-HSZRJFAPSA-N 0 0 407.551 5.355 40 0 HKABRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 ZINC000225848046 520317033 /nfs/dbraw/zinc/31/70/33/520317033.db2.gz RQKMEMMWPTYDJS-QHCPKHFHSA-N 0 0 407.551 5.355 40 0 HKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCC)c(C(=O)OCC)c1 ZINC000225848073 568680273 /nfs/dbraw/zinc/68/02/73/568680273.db2.gz BBJNEYNDCWQZRR-XMMPIXPASA-N 0 0 421.578 5.746 40 0 HKABRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCC)c(C(=O)OCC)c1 ZINC000225848099 520318160 /nfs/dbraw/zinc/31/81/60/520318160.db2.gz BBJNEYNDCWQZRR-DEOSSOPVSA-N 0 0 421.578 5.746 40 0 HKABRN CCOc1ccccc1NC(=S)NC1(CCc2ccc(Cl)cc2)CCCC1 ZINC000225848132 521552331 /nfs/dbraw/zinc/55/23/31/521552331.db2.gz PFNLZJDOIJHISB-UHFFFAOYSA-N 0 0 402.991 5.971 40 0 HKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 ZINC000225848133 520297301 /nfs/dbraw/zinc/29/73/01/520297301.db2.gz QEMAVRVOGXFRCT-MHECFPHRSA-N 0 0 421.578 5.745 40 0 HKABRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 ZINC000225848152 520316793 /nfs/dbraw/zinc/31/67/93/520316793.db2.gz QEMAVRVOGXFRCT-UUOWRZLLSA-N 0 0 421.578 5.745 40 0 HKABRN CCOc1ccccc1NC(=S)NC1(CCc2ccccc2Cl)CCCC1 ZINC000225848157 568680369 /nfs/dbraw/zinc/68/03/69/568680369.db2.gz QLWQYGCRWICTKS-UHFFFAOYSA-N 0 0 402.991 5.971 40 0 HKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 ZINC000225848174 568680379 /nfs/dbraw/zinc/68/03/79/568680379.db2.gz QEMAVRVOGXFRCT-HOYKHHGWSA-N 0 0 421.578 5.745 40 0 HKABRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 ZINC000225848193 520318176 /nfs/dbraw/zinc/31/81/76/520318176.db2.gz QEMAVRVOGXFRCT-KOSHJBKYSA-N 0 0 421.578 5.745 40 0 HKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 ZINC000225848218 568680277 /nfs/dbraw/zinc/68/02/77/568680277.db2.gz CZUALFVHZLAOMU-XMMPIXPASA-N 0 0 421.578 5.602 40 0 HKABRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 ZINC000225848237 568680280 /nfs/dbraw/zinc/68/02/80/568680280.db2.gz CZUALFVHZLAOMU-DEOSSOPVSA-N 0 0 421.578 5.602 40 0 HKABRN CCOc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1 ZINC000225848285 568680162 /nfs/dbraw/zinc/68/01/62/568680162.db2.gz SGFCULJVQFNJIE-UHFFFAOYSA-N 0 0 408.489 5.860 40 0 HKABRN CCOc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cc1 ZINC000225848633 568680233 /nfs/dbraw/zinc/68/02/33/568680233.db2.gz NBZPKGKOKDMTOQ-UHFFFAOYSA-N 0 0 402.991 5.971 40 0 HKABRN CCOc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cc1 ZINC000225848654 568680235 /nfs/dbraw/zinc/68/02/35/568680235.db2.gz CDMGSWZCDORMTM-UHFFFAOYSA-N 0 0 402.991 5.971 40 0 HKABRN COc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)c(OC)c1 ZINC000225848795 568680213 /nfs/dbraw/zinc/68/02/13/568680213.db2.gz GLJOTPHCKXURSP-UHFFFAOYSA-N 0 0 424.488 5.479 40 0 HKABRN COc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)c(OC)c1 ZINC000225849181 568680615 /nfs/dbraw/zinc/68/06/15/568680615.db2.gz MALQZHLWFZGWSC-UHFFFAOYSA-N 0 0 418.990 5.589 40 0 HKABRN COc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)c(OC)c1 ZINC000225849208 568680569 /nfs/dbraw/zinc/68/05/69/568680569.db2.gz MDLUQHATGPJPIA-UHFFFAOYSA-N 0 0 418.990 5.589 40 0 HKABRN CCOc1ccc(C2(NC(=S)Nc3cccc(C(F)(F)F)c3)CCCC2)cc1 ZINC000225849430 568680532 /nfs/dbraw/zinc/68/05/32/568680532.db2.gz PSPLRJBTHVBMMY-UHFFFAOYSA-N 0 0 408.489 5.860 40 0 HKABRN COc1ccc(C2(NC(=S)Nc3cccc(C(F)(F)F)c3)CCCC2)cc1OC ZINC000225849455 568680558 /nfs/dbraw/zinc/68/05/58/568680558.db2.gz KUOIGLHEFXDFSV-UHFFFAOYSA-N 0 0 424.488 5.479 40 0 HKABRN Cc1cccc(CCC2(NC(=S)Nc3cccc(C(F)(F)F)c3)CCCC2)c1 ZINC000225849730 524348457 /nfs/dbraw/zinc/34/84/57/524348457.db2.gz GOWDKBQKVAOUHJ-UHFFFAOYSA-N 0 0 406.517 6.246 40 0 HKABRN COc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1OC ZINC000225849902 568680464 /nfs/dbraw/zinc/68/04/64/568680464.db2.gz XNQIBLZTWKNTKP-UHFFFAOYSA-N 0 0 424.488 5.479 40 0 HKABRN COc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cc1OC ZINC000225850133 568680585 /nfs/dbraw/zinc/68/05/85/568680585.db2.gz XAAGCRQPUFXPRI-UHFFFAOYSA-N 0 0 418.990 5.589 40 0 HKABRN COc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cc1OC ZINC000225850147 568680445 /nfs/dbraw/zinc/68/04/45/568680445.db2.gz CTAWNEQQSJOGBJ-UHFFFAOYSA-N 0 0 418.990 5.589 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(OCCC)CCCCC2)cc1C(=O)OCC ZINC000225851527 520883292 /nfs/dbraw/zinc/88/32/92/520883292.db2.gz AMWZONTZVCJMRH-UHFFFAOYSA-N 0 0 405.535 5.110 40 0 HKABRN CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OCC)c2)CCCCC1 ZINC000225851559 568680601 /nfs/dbraw/zinc/68/06/01/568680601.db2.gz MLITYLTWACQSCD-KRWDZBQOSA-N 0 0 405.535 5.109 40 0 HKABRN CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OCC)c2)CCCCC1 ZINC000225851579 568680575 /nfs/dbraw/zinc/68/05/75/568680575.db2.gz MLITYLTWACQSCD-QGZVFWFLSA-N 0 0 405.535 5.109 40 0 HKABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000225851619 525043866 /nfs/dbraw/zinc/04/38/66/525043866.db2.gz PENQFMDXPXLOIB-LEYFIJQKSA-N 0 0 416.546 5.021 40 0 HKABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000225851635 568680509 /nfs/dbraw/zinc/68/05/09/568680509.db2.gz PENQFMDXPXLOIB-NRPPHEFGSA-N 0 0 416.546 5.021 40 0 HKABRN FC(F)(F)c1cccc(C2(NC(=S)Nc3ccc4c(c3)OCO4)CCCC2)c1 ZINC000225851961 568680526 /nfs/dbraw/zinc/68/05/26/568680526.db2.gz ACHOFLZJVYSZLL-UHFFFAOYSA-N 0 0 408.445 5.190 40 0 HKABRN S=C(Nc1ccc2c(c1)OCO2)NC1(CCc2ccc(Cl)cc2)CCCC1 ZINC000225852342 568680782 /nfs/dbraw/zinc/68/07/82/568680782.db2.gz LXQKJOPDCLIZJF-UHFFFAOYSA-N 0 0 402.947 5.301 40 0 HKABRN S=C(Nc1ccc2c(c1)OCO2)NC1(CCc2ccccc2Cl)CCCC1 ZINC000225852371 568680689 /nfs/dbraw/zinc/68/06/89/568680689.db2.gz LSJCFASKIUHOMF-UHFFFAOYSA-N 0 0 402.947 5.301 40 0 HKABRN CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OC)c2)CCCCCC1 ZINC000225852435 568680671 /nfs/dbraw/zinc/68/06/71/568680671.db2.gz HMJYZZMDZOQNRT-KRWDZBQOSA-N 0 0 405.535 5.109 40 0 HKABRN CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OC)c2)CCCCCC1 ZINC000225852459 520226778 /nfs/dbraw/zinc/22/67/78/520226778.db2.gz HMJYZZMDZOQNRT-QGZVFWFLSA-N 0 0 405.535 5.109 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)cc1C(=O)OC ZINC000225852500 568680801 /nfs/dbraw/zinc/68/08/01/568680801.db2.gz BCYAIUFQEZPCKU-UHFFFAOYSA-N 0 0 405.535 5.110 40 0 HKABRN Cc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1Cl ZINC000225852525 568680786 /nfs/dbraw/zinc/68/07/86/568680786.db2.gz NHAXAOJLYPTXQF-UHFFFAOYSA-N 0 0 412.908 6.423 40 0 HKABRN CCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)cc1C(=O)OCC ZINC000225852559 568680774 /nfs/dbraw/zinc/68/07/74/568680774.db2.gz FOABRNGCSZMBDW-UHFFFAOYSA-N 0 0 405.535 5.110 40 0 HKABRN CCCOC1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OCC)c2)CCCCCC1 ZINC000225852580 568680716 /nfs/dbraw/zinc/68/07/16/568680716.db2.gz FWNRWZMQPJWWMG-UHFFFAOYSA-N 0 0 405.535 5.109 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)cc1C(=O)OCC ZINC000225852602 568680778 /nfs/dbraw/zinc/68/07/78/568680778.db2.gz ROBNYIDXCRHJEI-UHFFFAOYSA-N 0 0 419.562 5.500 40 0 HKABRN COc1ccc(C2(NC(=S)Nc3ccc(C)c(Cl)c3)CCCC2)cc1OC ZINC000225852620 568680849 /nfs/dbraw/zinc/68/08/49/568680849.db2.gz ZPBFXYDNJFZYOC-UHFFFAOYSA-N 0 0 404.963 5.422 40 0 HKABRN CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OCC)c2)CCCCCC1 ZINC000225852629 520226715 /nfs/dbraw/zinc/22/67/15/520226715.db2.gz PWHGWKINQUXAGK-SFHVURJKSA-N 0 0 419.562 5.499 40 0 HKABRN CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OCC)c2)CCCCCC1 ZINC000225852650 520226878 /nfs/dbraw/zinc/22/68/78/520226878.db2.gz PWHGWKINQUXAGK-GOSISDBHSA-N 0 0 419.562 5.499 40 0 HKABRN CCCOC1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OCC)c2)CCCCCC1 ZINC000225852671 568680751 /nfs/dbraw/zinc/68/07/51/568680751.db2.gz WEFDFWVWWZJJQB-UHFFFAOYSA-N 0 0 419.562 5.356 40 0 HKABRN Cc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cc1Cl ZINC000225852884 568680770 /nfs/dbraw/zinc/68/07/70/568680770.db2.gz OMQHHHUDNROEIA-UHFFFAOYSA-N 0 0 407.410 6.534 40 0 HKABRN Cc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cc1Cl ZINC000225852907 568680675 /nfs/dbraw/zinc/68/06/75/568680675.db2.gz UUMJTAWHEQUWRU-UHFFFAOYSA-N 0 0 407.410 6.534 40 0 HKABRN CCOc1ccc(C2(NC(=S)Nc3ccc(OC)c(Cl)c3)CCCC2)cc1 ZINC000225853539 520928593 /nfs/dbraw/zinc/92/85/93/520928593.db2.gz XANNUXZYWOPUIG-UHFFFAOYSA-N 0 0 404.963 5.503 40 0 HKABRN COc1ccc(NC(=S)NC2(c3ccc(OC)c(OC)c3)CCCC2)cc1Cl ZINC000225853562 524665779 /nfs/dbraw/zinc/66/57/79/524665779.db2.gz SPUXOKJWXLXZJX-UHFFFAOYSA-N 0 0 420.962 5.122 40 0 HKABRN COc1ccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)cc1Cl ZINC000225853827 568680719 /nfs/dbraw/zinc/68/07/19/568680719.db2.gz FXCROLQIONKFIA-UHFFFAOYSA-N 0 0 402.991 5.889 40 0 HKABRN COc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cc1Cl ZINC000225853853 568680703 /nfs/dbraw/zinc/68/07/03/568680703.db2.gz RPDBBUREZCOWIU-UHFFFAOYSA-N 0 0 423.409 6.234 40 0 HKABRN COc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cc1Cl ZINC000225853875 568680709 /nfs/dbraw/zinc/68/07/09/568680709.db2.gz FFIRKSSGEBNJTJ-UHFFFAOYSA-N 0 0 423.409 6.234 40 0 HKABRN Cc1ccccc1C1(NC(=S)Nc2ccc(Br)c(C)c2)CCCC1 ZINC000225853935 568680817 /nfs/dbraw/zinc/68/08/17/568680817.db2.gz HWCSTJHHSGKOTO-UHFFFAOYSA-N 0 0 403.389 5.822 40 0 HKABRN Cc1cccc(C2(NC(=S)Nc3ccc(Br)c(C)c3)CCCC2)c1 ZINC000225853963 568680814 /nfs/dbraw/zinc/68/08/14/568680814.db2.gz XWFKGKZXOCNGBJ-UHFFFAOYSA-N 0 0 403.389 5.822 40 0 HKABRN Cc1ccc(C2(NC(=S)Nc3ccc(Br)c(C)c3)CCCC2)cc1 ZINC000225853984 568681050 /nfs/dbraw/zinc/68/10/50/568681050.db2.gz NJEXPUIRTCLOJK-UHFFFAOYSA-N 0 0 403.389 5.822 40 0 HKABRN Cc1cc(NC(=S)NC2(c3ccccc3Cl)CCCC2)ccc1Br ZINC000225854029 568680975 /nfs/dbraw/zinc/68/09/75/568680975.db2.gz OFWMINIWWDQNFN-UHFFFAOYSA-N 0 0 423.807 6.167 40 0 HKABRN COc1ccc(C2(NC(=S)Nc3ccc(Br)c(C)c3)CCCC2)cc1 ZINC000225854052 523870770 /nfs/dbraw/zinc/87/07/70/523870770.db2.gz DTFFXEQZJITNNX-UHFFFAOYSA-N 0 0 419.388 5.522 40 0 HKABRN CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)cc1C(=O)OCC ZINC000225854129 568680972 /nfs/dbraw/zinc/68/09/72/568680972.db2.gz ZONPCBFICWSRQG-HOYKHHGWSA-N 0 0 419.562 5.356 40 0 HKABRN CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)cc1C(=O)OCC ZINC000225854149 520888216 /nfs/dbraw/zinc/88/82/16/520888216.db2.gz ZONPCBFICWSRQG-KOSHJBKYSA-N 0 0 419.562 5.356 40 0 HKABRN CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)cc1C(=O)OCC ZINC000225854162 568680991 /nfs/dbraw/zinc/68/09/91/568680991.db2.gz ZONPCBFICWSRQG-MHECFPHRSA-N 0 0 419.562 5.356 40 0 HKABRN CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)cc1C(=O)OCC ZINC000225854184 568680979 /nfs/dbraw/zinc/68/09/79/568680979.db2.gz ZONPCBFICWSRQG-UUOWRZLLSA-N 0 0 419.562 5.356 40 0 HKABRN CCCO[C@@]1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OCC)c2)CCC[C@@H](C)C1 ZINC000225854211 568681008 /nfs/dbraw/zinc/68/10/08/568681008.db2.gz QYDMAFWGCGQNJD-YTZAWJCFSA-N 0 0 419.562 5.355 40 0 HKABRN CCCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OCC)c2)CCC[C@@H](C)C1 ZINC000225854231 568681039 /nfs/dbraw/zinc/68/10/39/568681039.db2.gz QYDMAFWGCGQNJD-NXMSCROESA-N 0 0 419.562 5.355 40 0 HKABRN CCCO[C@@]1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OCC)c2)CCC[C@@H](C)C1 ZINC000225854252 568681062 /nfs/dbraw/zinc/68/10/62/568681062.db2.gz QYDMAFWGCGQNJD-GGUMNFRJSA-N 0 0 419.562 5.355 40 0 HKABRN CCCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OCC)c2)CCC[C@@H](C)C1 ZINC000225854272 568681024 /nfs/dbraw/zinc/68/10/24/568681024.db2.gz QYDMAFWGCGQNJD-QZTZHPFYSA-N 0 0 419.562 5.355 40 0 HKABRN CCCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OCC)c2)CCC[C@@H](C)C1 ZINC000225854295 568680987 /nfs/dbraw/zinc/68/09/87/568680987.db2.gz KFYHCWGQWNARAT-KOSHJBKYSA-N 0 0 419.562 5.212 40 0 HKABRN CCCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OCC)c2)CCC[C@@H](C)C1 ZINC000225854317 568681059 /nfs/dbraw/zinc/68/10/59/568681059.db2.gz KFYHCWGQWNARAT-HOYKHHGWSA-N 0 0 419.562 5.212 40 0 HKABRN Cc1cc(NC(=S)NC2(CCc3ccccc3)CCCC2)ccc1Br ZINC000225854332 525262225 /nfs/dbraw/zinc/26/22/25/525262225.db2.gz HXIJQFWPIHETQJ-UHFFFAOYSA-N 0 0 417.416 5.990 40 0 HKABRN CCCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OCC)c2)CCC[C@H](C)C1 ZINC000225854334 568681053 /nfs/dbraw/zinc/68/10/53/568681053.db2.gz KFYHCWGQWNARAT-UUOWRZLLSA-N 0 0 419.562 5.212 40 0 HKABRN CCCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OCC)c2)CCC[C@H](C)C1 ZINC000225854355 568681005 /nfs/dbraw/zinc/68/10/05/568681005.db2.gz KFYHCWGQWNARAT-MHECFPHRSA-N 0 0 419.562 5.212 40 0 HKABRN Cc1ccccc1C1(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)CCCC1 ZINC000225854467 568681074 /nfs/dbraw/zinc/68/10/74/568681074.db2.gz JKNIACMCIGSDSW-UHFFFAOYSA-N 0 0 412.908 6.423 40 0 HKABRN Cc1cccc(C2(NC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)CCCC2)c1 ZINC000225854487 524331334 /nfs/dbraw/zinc/33/13/34/524331334.db2.gz OGSVUYHDIRAXJA-UHFFFAOYSA-N 0 0 412.908 6.423 40 0 HKABRN Cc1ccc(C2(NC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)CCCC2)cc1 ZINC000225854509 568681056 /nfs/dbraw/zinc/68/10/56/568681056.db2.gz RVNFTBXZSOUAJG-UHFFFAOYSA-N 0 0 412.908 6.423 40 0 HKABRN FC(F)(F)c1cc(NC(=S)NC2(c3cccs3)CCCC2)ccc1Cl ZINC000225854781 568680948 /nfs/dbraw/zinc/68/09/48/568680948.db2.gz RVSZFIRTVPHEKL-UHFFFAOYSA-N 0 0 404.910 6.176 40 0 HKABRN S=C(Nc1ccc(CSc2ccccc2)cc1)NC1(c2ccccc2)CCCC1 ZINC000225855478 568681046 /nfs/dbraw/zinc/68/10/46/568681046.db2.gz WSRNBWMSDNWTSS-UHFFFAOYSA-N 0 0 418.631 6.735 40 0 HKABRN S=C(Nc1ccc(CSc2ccccc2)cc1)NC1(c2ccccn2)CCCC1 ZINC000225855671 568680949 /nfs/dbraw/zinc/68/09/49/568680949.db2.gz LWBQVFBQQDVNJJ-UHFFFAOYSA-N 0 0 419.619 6.130 40 0 HKABRN S=C(Nc1ccc(CSc2ccccc2)cc1)NC1(c2cccnc2)CCCC1 ZINC000225855693 568680994 /nfs/dbraw/zinc/68/09/94/568680994.db2.gz ACTORPWPSKEFLQ-UHFFFAOYSA-N 0 0 419.619 6.130 40 0 HKABRN S=C(Nc1ccc(CSc2ccccc2)cc1)NC1(c2ccncc2)CCCC1 ZINC000225855715 568681002 /nfs/dbraw/zinc/68/10/02/568681002.db2.gz VNYBTGVFZQVWBP-UHFFFAOYSA-N 0 0 419.619 6.130 40 0 HKABRN COCCC1(NC(=S)Nc2ccc(CSc3ccccc3)cc2)CCCC1 ZINC000225855785 568680982 /nfs/dbraw/zinc/68/09/82/568680982.db2.gz IQUYSTRNSJKASH-UHFFFAOYSA-N 0 0 400.613 5.615 40 0 HKABRN S=C(Nc1ccc(CSc2ccccc2)cc1)NC1(c2cccs2)CCCC1 ZINC000225855806 568681011 /nfs/dbraw/zinc/68/10/11/568681011.db2.gz LHXYXXIBCIYEJB-UHFFFAOYSA-N 0 0 424.660 6.796 40 0 HKABRN S=C(Nc1ccc(CSc2ccccc2)cc1)NC1(c2ccco2)CCCC1 ZINC000225855829 568680977 /nfs/dbraw/zinc/68/09/77/568680977.db2.gz DTZXDPUUIJURTQ-UHFFFAOYSA-N 0 0 408.592 6.328 40 0 HKABRN COC(=O)c1ccc(C)c(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1 ZINC000225856140 568680961 /nfs/dbraw/zinc/68/09/61/568680961.db2.gz IDBSKSCPMNPUKE-UHFFFAOYSA-N 0 0 402.947 5.191 40 0 HKABRN COC(=O)c1ccc(C)c(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)c1 ZINC000225856494 521987412 /nfs/dbraw/zinc/98/74/12/521987412.db2.gz IGBIYZAQBOWWIG-UHFFFAOYSA-N 0 0 410.583 5.322 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(OCCC)CCC(C)CC2)cc1C(=O)OCC ZINC000225856644 568681296 /nfs/dbraw/zinc/68/12/96/568681296.db2.gz XTQMMPJNPCIXOG-UHFFFAOYSA-N 0 0 419.562 5.356 40 0 HKABRN CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OCC)c2)CCC(C)CC1 ZINC000225856672 568681253 /nfs/dbraw/zinc/68/12/53/568681253.db2.gz HIOMNNMAXBMSDJ-JZGPVCMCSA-N 0 0 419.562 5.355 40 0 HKABRN Fc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1Cl ZINC000225856693 526353668 /nfs/dbraw/zinc/35/36/68/526353668.db2.gz BXTVSKCKUTTYTI-UHFFFAOYSA-N 0 0 416.871 6.254 40 0 HKABRN CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OCC)c2)CCC(C)CC1 ZINC000225856694 520225894 /nfs/dbraw/zinc/22/58/94/520225894.db2.gz HIOMNNMAXBMSDJ-RKDDFOCISA-N 0 0 419.562 5.355 40 0 HKABRN CCCOC1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OCC)c2)CCC(C)CC1 ZINC000225856715 568681196 /nfs/dbraw/zinc/68/11/96/568681196.db2.gz RBJCPBRSLSMEFR-UHFFFAOYSA-N 0 0 419.562 5.212 40 0 HKABRN COc1ccc(C2(NC(=S)Nc3ccc(F)c(Cl)c3)CCCC2)cc1OC ZINC000225856790 568681200 /nfs/dbraw/zinc/68/12/00/568681200.db2.gz GUIAQVDZJWLUJW-UHFFFAOYSA-N 0 0 408.926 5.252 40 0 HKABRN Fc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cc1Cl ZINC000225857040 568681192 /nfs/dbraw/zinc/68/11/92/568681192.db2.gz NYSQURCURYATLG-UHFFFAOYSA-N 0 0 411.373 6.365 40 0 HKABRN Fc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cc1Cl ZINC000225857060 568681287 /nfs/dbraw/zinc/68/12/87/568681287.db2.gz QWPZBQUPABZXJF-UHFFFAOYSA-N 0 0 411.373 6.365 40 0 HKABRN Fc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)c(F)c1 ZINC000225857197 568681290 /nfs/dbraw/zinc/68/12/90/568681290.db2.gz RWAZCAHEEKFLHS-UHFFFAOYSA-N 0 0 400.416 5.740 40 0 HKABRN FC(F)(F)c1cccc(C2(NC(=S)Nc3ccc4c(c3)OCCO4)CCCC2)c1 ZINC000225857713 568681191 /nfs/dbraw/zinc/68/11/91/568681191.db2.gz PNPVAGHTGNOBLS-UHFFFAOYSA-N 0 0 422.472 5.233 40 0 HKABRN S=C(Nc1ccc2c(c1)OCCO2)NC1(CCc2ccc(Cl)cc2)CCCC1 ZINC000225858048 568681186 /nfs/dbraw/zinc/68/11/86/568681186.db2.gz ULLZOYZAXOGUTN-UHFFFAOYSA-N 0 0 416.974 5.343 40 0 HKABRN S=C(Nc1ccc2c(c1)OCCO2)NC1(CCc2ccccc2Cl)CCCC1 ZINC000225858071 568681185 /nfs/dbraw/zinc/68/11/85/568681185.db2.gz UVTRTVFTLVKFGX-UHFFFAOYSA-N 0 0 416.974 5.343 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1C ZINC000225858113 520919069 /nfs/dbraw/zinc/91/90/69/520919069.db2.gz COWAYGNFTBQTKW-UHFFFAOYSA-N 0 0 411.954 6.592 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000225858233 568681279 /nfs/dbraw/zinc/68/12/79/568681279.db2.gz TVPINHYGZMYJLT-LEYFIJQKSA-N 0 0 418.562 5.403 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000225858248 568681187 /nfs/dbraw/zinc/68/11/87/568681187.db2.gz TVPINHYGZMYJLT-NRPPHEFGSA-N 0 0 418.562 5.403 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000225858598 527022566 /nfs/dbraw/zinc/02/25/66/527022566.db2.gz NQNOUMAMRBXSQP-UHFFFAOYSA-N 0 0 410.351 5.384 40 0 HKABRN COC(=O)c1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1C ZINC000225858850 522239739 /nfs/dbraw/zinc/23/97/39/522239739.db2.gz IZPOZBLOIUODHC-UHFFFAOYSA-N 0 0 402.947 5.191 40 0 HKABRN COC(=O)c1cccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)c1C ZINC000225859152 568681190 /nfs/dbraw/zinc/68/11/90/568681190.db2.gz NVDTUBNGEXIQOI-UHFFFAOYSA-N 0 0 410.583 5.322 40 0 HKABRN CCOc1ccc(C2(NC(=S)Nc3ccc(C(F)(F)F)cc3)CCCC2)cc1 ZINC000225859367 568681224 /nfs/dbraw/zinc/68/12/24/568681224.db2.gz ICXQDHXGWOAKKW-UHFFFAOYSA-N 0 0 408.489 5.860 40 0 HKABRN COc1ccc(C2(NC(=S)Nc3ccc(C(F)(F)F)cc3)CCCC2)cc1OC ZINC000225859387 568681188 /nfs/dbraw/zinc/68/11/88/568681188.db2.gz VUXSHPYICQISNQ-UHFFFAOYSA-N 0 0 424.488 5.479 40 0 HKABRN Cc1cccc(CCC2(NC(=S)Nc3ccc(C(F)(F)F)cc3)CCCC2)c1 ZINC000225859595 524349008 /nfs/dbraw/zinc/34/90/08/524349008.db2.gz XWLCBTDIROPTAU-UHFFFAOYSA-N 0 0 406.517 6.246 40 0 HKABRN S=C(Nc1ccc(Br)c(Cl)c1)NC1(c2ccccc2)CCCC1 ZINC000225859667 526385477 /nfs/dbraw/zinc/38/54/77/526385477.db2.gz NZKMNAAQRNDCQK-UHFFFAOYSA-N 0 0 409.780 5.858 40 0 HKABRN Cc1ccccc1C1(NC(=S)Nc2ccc(Br)c(Cl)c2)CCCC1 ZINC000225859683 525081905 /nfs/dbraw/zinc/08/19/05/525081905.db2.gz ODTIMAFEODFZPM-UHFFFAOYSA-N 0 0 423.807 6.167 40 0 HKABRN Cc1cccc(C2(NC(=S)Nc3ccc(Br)c(Cl)c3)CCCC2)c1 ZINC000225859703 568681261 /nfs/dbraw/zinc/68/12/61/568681261.db2.gz ULPSWTGKUAQDHM-UHFFFAOYSA-N 0 0 423.807 6.167 40 0 HKABRN Cc1ccc(C2(NC(=S)Nc3ccc(Br)c(Cl)c3)CCCC2)cc1 ZINC000225859724 524227698 /nfs/dbraw/zinc/22/76/98/524227698.db2.gz WVEPOLLZAVJLJJ-UHFFFAOYSA-N 0 0 423.807 6.167 40 0 HKABRN S=C(Nc1ccc(Br)c(Cl)c1)NC1(c2ccccn2)CCCC1 ZINC000225859843 526385460 /nfs/dbraw/zinc/38/54/60/526385460.db2.gz YRBNLDPSKPTNRU-UHFFFAOYSA-N 0 0 410.768 5.253 40 0 HKABRN S=C(Nc1ccc(Br)c(Cl)c1)NC1(c2cccnc2)CCCC1 ZINC000225859858 568681276 /nfs/dbraw/zinc/68/12/76/568681276.db2.gz DVXOZWNHBDUGCE-UHFFFAOYSA-N 0 0 410.768 5.253 40 0 HKABRN S=C(Nc1ccc(Br)c(Cl)c1)NC1(c2ccncc2)CCCC1 ZINC000225859874 568681235 /nfs/dbraw/zinc/68/12/35/568681235.db2.gz LEQWWWRNNJVCKZ-UHFFFAOYSA-N 0 0 410.768 5.253 40 0 HKABRN S=C(Nc1ccc(Br)c(Cl)c1)NC1(c2cccs2)CCCC1 ZINC000225859950 526385674 /nfs/dbraw/zinc/38/56/74/526385674.db2.gz DUJKCSBPVHWUOF-UHFFFAOYSA-N 0 0 415.809 5.920 40 0 HKABRN Fc1cccc(F)c1NC(=S)NC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000225860140 568681525 /nfs/dbraw/zinc/68/15/25/568681525.db2.gz DOXLGKVBKWMWOD-UHFFFAOYSA-N 0 0 400.416 5.740 40 0 HKABRN Fc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1F ZINC000225860586 526353687 /nfs/dbraw/zinc/35/36/87/526353687.db2.gz OYZXFVDIBQQKTL-UHFFFAOYSA-N 0 0 400.416 5.740 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c2cccnc12 ZINC000225860844 520883486 /nfs/dbraw/zinc/88/34/86/520883486.db2.gz HZHZGARLRPWNQI-UHFFFAOYSA-N 0 0 402.538 6.173 40 0 HKABRN Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ncccc34)CCCC2)c1 ZINC000225860870 568681444 /nfs/dbraw/zinc/68/14/44/568681444.db2.gz ZGTSYTKFQGMLDY-UHFFFAOYSA-N 0 0 402.538 6.029 40 0 HKABRN Cc1ccccc1C1(NC(=S)Nc2ccc(Br)cc2F)CCCC1 ZINC000225860938 525082620 /nfs/dbraw/zinc/08/26/20/525082620.db2.gz NXIUABANYWRVOJ-UHFFFAOYSA-N 0 0 407.352 5.653 40 0 HKABRN Cc1cccc(C2(NC(=S)Nc3ccc(Br)cc3F)CCCC2)c1 ZINC000225860957 568681510 /nfs/dbraw/zinc/68/15/10/568681510.db2.gz ASWWPLRVIIDRFH-UHFFFAOYSA-N 0 0 407.352 5.653 40 0 HKABRN Cc1ccc(C2(NC(=S)Nc3ccc(Br)cc3F)CCCC2)cc1 ZINC000225860978 524228783 /nfs/dbraw/zinc/22/87/83/524228783.db2.gz QRCWKGOOLPSJKI-UHFFFAOYSA-N 0 0 407.352 5.653 40 0 HKABRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1C(C)C ZINC000225861025 568681537 /nfs/dbraw/zinc/68/15/37/568681537.db2.gz CBAMHYQYWGTPOA-KRWDZBQOSA-N 0 0 403.588 5.464 40 0 HKABRN COc1ccc(C2(NC(=S)Nc3ccc(Br)cc3F)CCCC2)cc1 ZINC000225861033 568681505 /nfs/dbraw/zinc/68/15/05/568681505.db2.gz FNTPWLVPXNRVPH-UHFFFAOYSA-N 0 0 423.351 5.353 40 0 HKABRN COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1C(C)C ZINC000225861038 522222765 /nfs/dbraw/zinc/22/27/65/522222765.db2.gz CBAMHYQYWGTPOA-QGZVFWFLSA-N 0 0 403.588 5.464 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cn2c3c(cccc3c1=O)CC2 ZINC000225861194 527114242 /nfs/dbraw/zinc/11/42/42/527114242.db2.gz STDSSIPIINUXJU-UHFFFAOYSA-N 0 0 416.864 5.256 40 0 HKABRN Fc1cc(Br)ccc1NC(=S)NC1(CCc2ccccc2)CCCC1 ZINC000225861245 526295293 /nfs/dbraw/zinc/29/52/93/526295293.db2.gz CNRADZNLNLNOKH-UHFFFAOYSA-N 0 0 421.379 5.820 40 0 HKABRN COC(=O)c1cc(NC(=S)NC2(c3ccccc3C)CCCC2)ccc1Cl ZINC000225861332 568681458 /nfs/dbraw/zinc/68/14/58/568681458.db2.gz PQWKKOIBUAOMMA-UHFFFAOYSA-N 0 0 402.947 5.191 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c2cccnc12 ZINC000225861345 568681509 /nfs/dbraw/zinc/68/15/09/568681509.db2.gz WEGQVVZLQXLGDL-UHFFFAOYSA-N 0 0 402.538 6.173 40 0 HKABRN COC(=O)c1cc(NC(=S)NC2(c3cccc(C)c3)CCCC2)ccc1Cl ZINC000225861346 521891357 /nfs/dbraw/zinc/89/13/57/521891357.db2.gz ZWTTWMNKUOTANU-UHFFFAOYSA-N 0 0 402.947 5.191 40 0 HKABRN COC(=O)c1cc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)ccc1Cl ZINC000225861359 568681442 /nfs/dbraw/zinc/68/14/42/568681442.db2.gz PSYZPPYOCVXHRL-UHFFFAOYSA-N 0 0 402.947 5.191 40 0 HKABRN Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ncccc34)CCCC2)cc1 ZINC000225861365 568681521 /nfs/dbraw/zinc/68/15/21/568681521.db2.gz OTTLVKPXEWRSNI-UHFFFAOYSA-N 0 0 402.538 6.029 40 0 HKABRN COC(=O)c1cc(NC(=S)NC2(c3ccccc3Cl)CCCC2)ccc1Cl ZINC000225861390 568681448 /nfs/dbraw/zinc/68/14/48/568681448.db2.gz LDTWTEPTUWUKTF-UHFFFAOYSA-N 0 0 423.365 5.536 40 0 HKABRN COC(=O)c1cc(NC(=S)NC2(CCc3ccccc3)CCCC2)ccc1Cl ZINC000225861622 568681453 /nfs/dbraw/zinc/68/14/53/568681453.db2.gz YWUYSNMXGVTNPC-UHFFFAOYSA-N 0 0 416.974 5.359 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)NC2(c3ccccc3C)CCCC2)c1 ZINC000225861750 568681462 /nfs/dbraw/zinc/68/14/62/568681462.db2.gz ASLPCLCFEWJPPU-UHFFFAOYSA-N 0 0 402.947 5.191 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)NC2(c3cccc(C)c3)CCCC2)c1 ZINC000225861771 522059135 /nfs/dbraw/zinc/05/91/35/522059135.db2.gz CTWRCXBYNNDGOC-UHFFFAOYSA-N 0 0 402.947 5.191 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)NC2(c3ccc(C)cc3)CCCC2)c1 ZINC000225861791 568681464 /nfs/dbraw/zinc/68/14/64/568681464.db2.gz NBCBNOQICQNTPS-UHFFFAOYSA-N 0 0 402.947 5.191 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1 ZINC000225861836 568681469 /nfs/dbraw/zinc/68/14/69/568681469.db2.gz XAGRTIXRAVSWBX-UHFFFAOYSA-N 0 0 423.365 5.536 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c2cccnc12 ZINC000225861988 568681465 /nfs/dbraw/zinc/68/14/65/568681465.db2.gz LPJZTRODPIIPEP-UHFFFAOYSA-N 0 0 406.501 6.003 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c2cccnc12 ZINC000225862015 568681503 /nfs/dbraw/zinc/68/15/03/568681503.db2.gz NLRAFKYKQHIXFC-UHFFFAOYSA-N 0 0 406.501 5.859 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=S)NC2(CCc3ccccc3)CCCC2)c1 ZINC000225862073 568681515 /nfs/dbraw/zinc/68/15/15/568681515.db2.gz WYYSWJZTKAPDRY-UHFFFAOYSA-N 0 0 416.974 5.359 40 0 HKABRN CCOc1cccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)c1 ZINC000225862245 568681519 /nfs/dbraw/zinc/68/15/19/568681519.db2.gz VZNHGOJIPYEQQE-UHFFFAOYSA-N 0 0 408.489 5.860 40 0 HKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 ZINC000225862411 526078701 /nfs/dbraw/zinc/07/87/01/526078701.db2.gz FTADUUZJFRJTKM-MIDMBNTASA-N 0 0 418.562 5.322 40 0 HKABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(C)cc2C)cc1 ZINC000225862423 526079273 /nfs/dbraw/zinc/07/92/73/526079273.db2.gz FTADUUZJFRJTKM-IQJJTXKVSA-N 0 0 418.562 5.322 40 0 HKABRN CCOc1cccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)c1 ZINC000225862552 568681467 /nfs/dbraw/zinc/68/14/67/568681467.db2.gz HOYMFRUVHVGDCZ-UHFFFAOYSA-N 0 0 402.991 5.971 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c2cccnc12 ZINC000225862560 568681480 /nfs/dbraw/zinc/68/14/80/568681480.db2.gz GNLXBFCVMBPGGH-UHFFFAOYSA-N 0 0 406.501 6.003 40 0 HKABRN CCOc1cccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)c1 ZINC000225862571 568681783 /nfs/dbraw/zinc/68/17/83/568681783.db2.gz ITCGVBPLBBHQDU-UHFFFAOYSA-N 0 0 402.991 5.971 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c2cccnc12 ZINC000225862579 568681754 /nfs/dbraw/zinc/68/17/54/568681754.db2.gz WSRVVAFAARWCQE-UHFFFAOYSA-N 0 0 406.501 5.859 40 0 HKABRN COC(=O)c1cccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)c1 ZINC000225862715 568681779 /nfs/dbraw/zinc/68/17/79/568681779.db2.gz MGEBTZPRLNZONU-UHFFFAOYSA-N 0 0 422.472 5.248 40 0 HKABRN COC(=O)c1cccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)c1 ZINC000225863067 568681693 /nfs/dbraw/zinc/68/16/93/568681693.db2.gz CNHWTCZKKJVHAK-UHFFFAOYSA-N 0 0 416.974 5.359 40 0 HKABRN COC(=O)c1cccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)c1 ZINC000225863088 568681732 /nfs/dbraw/zinc/68/17/32/568681732.db2.gz GNJMUPIXLRDQBH-UHFFFAOYSA-N 0 0 416.974 5.359 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2cccnc12 ZINC000225863128 568681699 /nfs/dbraw/zinc/68/16/99/568681699.db2.gz UFRJQLUCVJNPHS-UHFFFAOYSA-N 0 0 408.929 6.128 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2cccnc12 ZINC000225863149 519780503 /nfs/dbraw/zinc/78/05/03/519780503.db2.gz IGOITYXIUUKOQN-UHFFFAOYSA-N 0 0 408.929 6.126 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2cccnc12 ZINC000225863177 568681775 /nfs/dbraw/zinc/68/17/75/568681775.db2.gz ZBBSODXQIVKNHC-UHFFFAOYSA-N 0 0 422.956 6.518 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2cccnc12 ZINC000225863202 568681734 /nfs/dbraw/zinc/68/17/34/568681734.db2.gz ZDMTUEHEUZTDCM-UHFFFAOYSA-N 0 0 422.956 6.374 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1 ZINC000225863229 568681756 /nfs/dbraw/zinc/68/17/56/568681756.db2.gz QSLQEKMOXIIDBC-UHFFFAOYSA-N 0 0 402.947 5.273 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)NC2(c3ccc(OCC)cc3)CCCC2)c1 ZINC000225863265 568681692 /nfs/dbraw/zinc/68/16/92/568681692.db2.gz IWIFTHPIQGGYLM-UHFFFAOYSA-N 0 0 412.555 5.018 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)c1 ZINC000225863514 521545698 /nfs/dbraw/zinc/54/56/98/521545698.db2.gz YACOYWLLFWXGLJ-UHFFFAOYSA-N 0 0 410.583 5.404 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1C ZINC000225863693 568681759 /nfs/dbraw/zinc/68/17/59/568681759.db2.gz JKOQEVUMQQPWNP-UHFFFAOYSA-N 0 0 416.974 5.581 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c2cccnc12 ZINC000225863717 520388054 /nfs/dbraw/zinc/38/80/54/520388054.db2.gz ZWUPRZCTXVAZJP-UHFFFAOYSA-N 0 0 408.929 6.128 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c2cccnc12 ZINC000225863745 568681736 /nfs/dbraw/zinc/68/17/36/568681736.db2.gz JPIPOUSOUBKEMV-UHFFFAOYSA-N 0 0 408.929 6.126 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c2cccnc12 ZINC000225863772 520885741 /nfs/dbraw/zinc/88/57/41/520885741.db2.gz MMEQBUBWAXMIBO-UHFFFAOYSA-N 0 0 422.956 6.518 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c2cccnc12 ZINC000225863796 568681769 /nfs/dbraw/zinc/68/17/69/568681769.db2.gz NGERGOHUTMUJDD-UHFFFAOYSA-N 0 0 422.956 6.374 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cn1 ZINC000225863905 568681744 /nfs/dbraw/zinc/68/17/44/568681744.db2.gz QRQVROGNCSVMEX-UHFFFAOYSA-N 0 0 407.341 6.018 40 0 HKABRN CCOCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cn1 ZINC000225863956 568681715 /nfs/dbraw/zinc/68/17/15/568681715.db2.gz HLSDCZWZRAWYRL-UHFFFAOYSA-N 0 0 423.340 5.254 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c1C ZINC000225863971 568681727 /nfs/dbraw/zinc/68/17/27/568681727.db2.gz AJWGTJDGDXGCKK-UHFFFAOYSA-N 0 0 410.583 5.404 40 0 HKABRN CCOC(=O)c1cccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)c1C ZINC000225863992 521546070 /nfs/dbraw/zinc/54/60/70/521546070.db2.gz DOQWIHGPESVNBI-UHFFFAOYSA-N 0 0 424.610 5.712 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c(C)n1 ZINC000225864035 568681705 /nfs/dbraw/zinc/68/17/05/568681705.db2.gz VGPJOFBABNYSTE-UHFFFAOYSA-N 0 0 407.341 5.936 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c(C)n1 ZINC000225864058 568681730 /nfs/dbraw/zinc/68/17/30/568681730.db2.gz GYYRYRNDFCJVBS-UHFFFAOYSA-N 0 0 421.368 6.326 40 0 HKABRN COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c(C)n1 ZINC000225864084 568681720 /nfs/dbraw/zinc/68/17/20/568681720.db2.gz AWVWHFNWQOLSSZ-UHFFFAOYSA-N 0 0 423.340 5.173 40 0 HKABRN CCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C ZINC000225864174 568681765 /nfs/dbraw/zinc/68/17/65/568681765.db2.gz IULVNACBWLGBDK-UHFFFAOYSA-N 0 0 407.341 5.936 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1 ZINC000225864176 568681708 /nfs/dbraw/zinc/68/17/08/568681708.db2.gz DFUKUWUKOBZESO-UHFFFAOYSA-N 0 0 416.974 5.581 40 0 HKABRN CCCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C ZINC000225864202 520919144 /nfs/dbraw/zinc/91/91/44/520919144.db2.gz BZOQBGUREJQVFH-UHFFFAOYSA-N 0 0 421.368 6.326 40 0 HKABRN COCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C ZINC000225864231 568681763 /nfs/dbraw/zinc/68/17/63/568681763.db2.gz DBWUVDRFVMYWAI-UHFFFAOYSA-N 0 0 423.340 5.173 40 0 HKABRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c2cccnc12 ZINC000225864286 568681711 /nfs/dbraw/zinc/68/17/11/568681711.db2.gz UOUBWSJDEJRQNB-UHFFFAOYSA-N 0 0 415.320 6.001 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=S)NC2(CCc3ccccc3)CCCC2)c1 ZINC000225864473 568681739 /nfs/dbraw/zinc/68/17/39/568681739.db2.gz QMRKXPOEOVIGLG-UHFFFAOYSA-N 0 0 410.583 5.404 40 0 HKABRN CCOC(=O)c1ccc(C)c(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)c1 ZINC000225864497 568681701 /nfs/dbraw/zinc/68/17/01/568681701.db2.gz LRUZKEQNSGYMDK-UHFFFAOYSA-N 0 0 424.610 5.712 40 0 HKABRN CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c2ccccc2O1 ZINC000225864672 568681704 /nfs/dbraw/zinc/68/17/04/568681704.db2.gz LKZXHRNEYZJQPT-HXUWFJFHSA-N 0 0 417.571 5.180 40 0 HKABRN CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c2ccccc2O1 ZINC000225864690 521691204 /nfs/dbraw/zinc/69/12/04/521691204.db2.gz LKZXHRNEYZJQPT-FQEVSTJZSA-N 0 0 417.571 5.180 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c(C)c1 ZINC000225864701 568681700 /nfs/dbraw/zinc/68/17/00/568681700.db2.gz NCVRJZSUQJJSRQ-UHFFFAOYSA-N 0 0 416.974 5.581 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c2cccnc12 ZINC000225864973 568681696 /nfs/dbraw/zinc/68/16/96/568681696.db2.gz VEDODDDDTUPDKN-UHFFFAOYSA-N 0 0 404.510 5.483 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c(C)c1 ZINC000225864990 568681703 /nfs/dbraw/zinc/68/17/03/568681703.db2.gz GHJCOZMGYMTMHU-UHFFFAOYSA-N 0 0 410.583 5.404 40 0 HKABRN COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ncccc34)CCCC2)cc1 ZINC000225865006 568682018 /nfs/dbraw/zinc/68/20/18/568682018.db2.gz XRDWYRNGKXRCDY-UHFFFAOYSA-N 0 0 404.510 5.481 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)c(C)c1 ZINC000225865015 568681926 /nfs/dbraw/zinc/68/19/26/568681926.db2.gz ZXPCJQIWVMIQOI-UHFFFAOYSA-N 0 0 424.610 5.712 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c2cccnc12 ZINC000225865035 568681935 /nfs/dbraw/zinc/68/19/35/568681935.db2.gz NBDRAMMESRYYSV-UHFFFAOYSA-N 0 0 418.537 5.873 40 0 HKABRN COc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ncccc34)CCCC2)cc1 ZINC000225865062 568681940 /nfs/dbraw/zinc/68/19/40/568681940.db2.gz VKGJCVZOTSAHOL-UHFFFAOYSA-N 0 0 418.537 5.729 40 0 HKABRN O=C1CCCN1c1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)cc1 ZINC000225865209 568681987 /nfs/dbraw/zinc/68/19/87/568681987.db2.gz IFGSAOUGLYOYCB-UHFFFAOYSA-N 0 0 413.974 5.223 40 0 HKABRN O=C1CCCN1c1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1 ZINC000225865466 568681951 /nfs/dbraw/zinc/68/19/51/568681951.db2.gz HCGZPICQXIYEIJ-UHFFFAOYSA-N 0 0 407.583 5.045 40 0 HKABRN Cc1cccc(CCC2(NC(=S)Nc3ccc(N4CCCC4=O)cc3)CCCC2)c1 ZINC000225865484 524349025 /nfs/dbraw/zinc/34/90/25/524349025.db2.gz XBFIJRWTNYMCND-UHFFFAOYSA-N 0 0 421.610 5.354 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c2cccnc12 ZINC000225865612 520885262 /nfs/dbraw/zinc/88/52/62/520885262.db2.gz MSOYBQDZJXIUOB-UHFFFAOYSA-N 0 0 402.538 6.254 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c2cccnc12 ZINC000225865640 568681913 /nfs/dbraw/zinc/68/19/13/568681913.db2.gz YCHNWISZKIXSSF-UHFFFAOYSA-N 0 0 402.538 6.110 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000225865740 523039930 /nfs/dbraw/zinc/03/99/30/523039930.db2.gz WYZQOKOYCQRPEC-DHIUTWEWSA-N 0 0 423.597 6.340 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000225865752 568681971 /nfs/dbraw/zinc/68/19/71/568681971.db2.gz WYZQOKOYCQRPEC-PKTZIBPZSA-N 0 0 423.597 6.340 40 0 HKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 ZINC000225865769 568681998 /nfs/dbraw/zinc/68/19/98/568681998.db2.gz WYZQOKOYCQRPEC-XZOQPEGZSA-N 0 0 423.597 6.340 40 0 HKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 ZINC000225865784 568681942 /nfs/dbraw/zinc/68/19/42/568681942.db2.gz WYZQOKOYCQRPEC-GOTSBHOMSA-N 0 0 423.597 6.340 40 0 HKABRN CCC1(NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)CCCC1 ZINC000225865821 568682011 /nfs/dbraw/zinc/68/20/11/568682011.db2.gz HMHDDOLMBYABOB-UHFFFAOYSA-N 0 0 408.611 6.224 40 0 HKABRN CC(C)C1(NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)CCCC1 ZINC000225865846 568681984 /nfs/dbraw/zinc/68/19/84/568681984.db2.gz LZWNIKFXXONQSG-UHFFFAOYSA-N 0 0 422.638 6.470 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NC3(C4CC4)CCCC3)c2)cc1 ZINC000225865932 568681995 /nfs/dbraw/zinc/68/19/95/568681995.db2.gz NXKDOCLKICTSNK-UHFFFAOYSA-N 0 0 420.622 6.224 40 0 HKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NC3(C)CCCCC3)c2)cc1 ZINC000225866035 519024025 /nfs/dbraw/zinc/02/40/25/519024025.db2.gz BNJCMRHHBLYESH-UHFFFAOYSA-N 0 0 408.611 6.224 40 0 HKABRN CCOC(=O)c1cc(NC(=S)NC2(c3ccccc3)CCCC2)ccc1Cl ZINC000225866057 568681931 /nfs/dbraw/zinc/68/19/31/568681931.db2.gz FROVJKJIZVOWQF-UHFFFAOYSA-N 0 0 402.947 5.273 40 0 HKABRN CCOC(=O)c1cc(NC(=S)NC2(c3ccccc3C)CCCC2)ccc1Cl ZINC000225866078 568682001 /nfs/dbraw/zinc/68/20/01/568682001.db2.gz ILVCZBCQXVXEDL-UHFFFAOYSA-N 0 0 416.974 5.581 40 0 HKABRN CCOC(=O)c1cc(NC(=S)NC2(c3cccc(C)c3)CCCC2)ccc1Cl ZINC000225866092 568682013 /nfs/dbraw/zinc/68/20/13/568682013.db2.gz NMVKHVIPYYAOJD-UHFFFAOYSA-N 0 0 416.974 5.581 40 0 HKABRN CCOC(=O)c1cc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)ccc1Cl ZINC000225866114 568681909 /nfs/dbraw/zinc/68/19/09/568681909.db2.gz AASLZFLZTYNWEC-UHFFFAOYSA-N 0 0 416.974 5.581 40 0 HKABRN CCOC(=O)c1cc(NC(=S)NC2(c3cccs3)CCCC2)ccc1Cl ZINC000225866345 521443002 /nfs/dbraw/zinc/44/30/02/521443002.db2.gz IURJDNSCWZDOMN-UHFFFAOYSA-N 0 0 408.976 5.334 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1Cl ZINC000225866489 568682030 /nfs/dbraw/zinc/68/20/30/568682030.db2.gz FAZZCBOOSRFIFB-UHFFFAOYSA-N 0 0 402.947 5.273 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)NC2(c3ccccc3C)CCCC2)cc1Cl ZINC000225866503 521516859 /nfs/dbraw/zinc/51/68/59/521516859.db2.gz LZAXBWUBTXGPCP-UHFFFAOYSA-N 0 0 416.974 5.581 40 0 HKABRN COc1ccc(/C=C(/C(=O)Nc2nnc(-c3ccccc3)s2)c2ccccc2)cc1 ZINC000225866505 568681921 /nfs/dbraw/zinc/68/19/21/568681921.db2.gz TZQNOMUOSFTEKV-LTGZKZEYSA-N 0 0 413.502 5.393 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)cc1Cl ZINC000225866525 568682028 /nfs/dbraw/zinc/68/20/28/568682028.db2.gz QKRSVSVSTYRAIR-UHFFFAOYSA-N 0 0 416.974 5.581 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)cc1Cl ZINC000225866545 568682024 /nfs/dbraw/zinc/68/20/24/568682024.db2.gz VYFTXIWVWSPAJY-UHFFFAOYSA-N 0 0 416.974 5.581 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c2cccnc12 ZINC000225866724 568681919 /nfs/dbraw/zinc/68/19/19/568681919.db2.gz GYENXBNBLZTLGE-UHFFFAOYSA-N 0 0 402.538 6.173 40 0 HKABRN Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)c4ncccc34)CCCCC2)c1 ZINC000225866753 568682022 /nfs/dbraw/zinc/68/20/22/568682022.db2.gz OKIINNLKNXUFEA-UHFFFAOYSA-N 0 0 402.538 6.171 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c2cccnc12 ZINC000225866777 568682008 /nfs/dbraw/zinc/68/20/08/568682008.db2.gz INFNRSYODOKTRO-UHFFFAOYSA-N 0 0 416.565 6.563 40 0 HKABRN Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ncccc34)CCCCC2)c1 ZINC000225866804 524330237 /nfs/dbraw/zinc/33/02/37/524330237.db2.gz KPTOMABGENIACW-UHFFFAOYSA-N 0 0 416.565 6.419 40 0 HKABRN CCOC(=O)c1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1Cl ZINC000225866812 568681966 /nfs/dbraw/zinc/68/19/66/568681966.db2.gz OVNLYJNLWQVWMO-UHFFFAOYSA-N 0 0 408.976 5.334 40 0 HKABRN CC(C)Oc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1 ZINC000225867090 568681954 /nfs/dbraw/zinc/68/19/54/568681954.db2.gz RKPYENDZQBBSNW-UHFFFAOYSA-N 0 0 422.516 6.249 40 0 HKABRN COc1ccc(C2(NC(=S)Nc3ccc(OC(C)C)cc3)CCCC2)cc1OC ZINC000225867181 568682248 /nfs/dbraw/zinc/68/22/48/568682248.db2.gz UWQNPGPWIBVYIU-UHFFFAOYSA-N 0 0 414.571 5.247 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c2cccnc12 ZINC000225867358 568682246 /nfs/dbraw/zinc/68/22/46/568682246.db2.gz LCUJKPPUOUTOGJ-UHFFFAOYSA-N 0 0 402.538 6.173 40 0 HKABRN Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ncccc34)CCCCC2)cc1 ZINC000225867391 524228550 /nfs/dbraw/zinc/22/85/50/524228550.db2.gz HOAZKCSBSCAEIE-UHFFFAOYSA-N 0 0 402.538 6.171 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c2cccnc12 ZINC000225867413 568682143 /nfs/dbraw/zinc/68/21/43/568682143.db2.gz WVLCHKSBHSCXBO-UHFFFAOYSA-N 0 0 416.565 6.563 40 0 HKABRN Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ncccc34)CCCCC2)cc1 ZINC000225867438 524228727 /nfs/dbraw/zinc/22/87/27/524228727.db2.gz QWPDKSKIRQRRMD-UHFFFAOYSA-N 0 0 416.565 6.419 40 0 HKABRN CC(C)Oc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cc1 ZINC000225867439 568682184 /nfs/dbraw/zinc/68/21/84/568682184.db2.gz HNPYMJHSHLQREK-UHFFFAOYSA-N 0 0 417.018 6.359 40 0 HKABRN CC(C)Oc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cc1 ZINC000225867459 517454685 /nfs/dbraw/zinc/45/46/85/517454685.db2.gz LMIYFTNYOVCDAK-UHFFFAOYSA-N 0 0 417.018 6.359 40 0 HKABRN CC(C)Oc1cccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)c1 ZINC000225867589 568682207 /nfs/dbraw/zinc/68/22/07/568682207.db2.gz XYAYPALQJFVYPT-UHFFFAOYSA-N 0 0 422.516 6.249 40 0 HKABRN COc1ccc(C2(NC(=S)Nc3cccc(OC(C)C)c3)CCCC2)cc1OC ZINC000225867674 568682241 /nfs/dbraw/zinc/68/22/41/568682241.db2.gz DXVSWYPWDUNMKR-UHFFFAOYSA-N 0 0 414.571 5.247 40 0 HKABRN CC(C)Oc1cccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)c1 ZINC000225867918 568682239 /nfs/dbraw/zinc/68/22/39/568682239.db2.gz INFDCEUKARJJOO-UHFFFAOYSA-N 0 0 417.018 6.359 40 0 HKABRN CC(C)Oc1cccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)c1 ZINC000225867939 568682197 /nfs/dbraw/zinc/68/21/97/568682197.db2.gz SBOSQCKSFJZENA-UHFFFAOYSA-N 0 0 417.018 6.359 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c2cccnc12 ZINC000225867975 520387671 /nfs/dbraw/zinc/38/76/71/520387671.db2.gz DSNCHQNWKOOPJI-UHFFFAOYSA-N 0 0 406.501 6.003 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c2cccnc12 ZINC000225868004 568682172 /nfs/dbraw/zinc/68/21/72/568682172.db2.gz UKJMAGAZLMMXCV-UHFFFAOYSA-N 0 0 406.501 6.002 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c2cccnc12 ZINC000225868028 568682111 /nfs/dbraw/zinc/68/21/11/568682111.db2.gz XPEOUTZZALBSPP-UHFFFAOYSA-N 0 0 420.528 6.393 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c2cccnc12 ZINC000225868050 519763223 /nfs/dbraw/zinc/76/32/23/519763223.db2.gz YIYANDCGSRZEEA-UHFFFAOYSA-N 0 0 420.528 6.249 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c2cccnc12 ZINC000225868538 568682169 /nfs/dbraw/zinc/68/21/69/568682169.db2.gz JWAOVXZSLWQNKW-UHFFFAOYSA-N 0 0 406.501 6.003 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c2cccnc12 ZINC000225868567 568682181 /nfs/dbraw/zinc/68/21/81/568682181.db2.gz CQBYJJZVHXIPBW-UHFFFAOYSA-N 0 0 406.501 6.002 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c2cccnc12 ZINC000225868594 520882822 /nfs/dbraw/zinc/88/28/22/520882822.db2.gz CJGZDAPZFBFYSI-UHFFFAOYSA-N 0 0 420.528 6.393 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c2cccnc12 ZINC000225868615 568682096 /nfs/dbraw/zinc/68/20/96/568682096.db2.gz GSLCPXGRSCWAPY-UHFFFAOYSA-N 0 0 420.528 6.249 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C)n1 ZINC000225868863 568682175 /nfs/dbraw/zinc/68/21/75/568682175.db2.gz ZYJYENAUZSNJCN-UHFFFAOYSA-N 0 0 400.950 6.063 40 0 HKABRN CCOCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C)n1 ZINC000225868906 520040659 /nfs/dbraw/zinc/04/06/59/520040659.db2.gz OVBCTPHKTLZIBZ-UHFFFAOYSA-N 0 0 416.949 5.299 40 0 HKABRN CCCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C ZINC000225869002 568682122 /nfs/dbraw/zinc/68/21/22/568682122.db2.gz HBZISQSIEDFLGX-UHFFFAOYSA-N 0 0 400.950 6.063 40 0 HKABRN S=C(Nc1ccc(OC2CCCC2)cc1)NC1(c2ccccc2Cl)CCCC1 ZINC000225869016 568682234 /nfs/dbraw/zinc/68/22/34/568682234.db2.gz FTBLZKIYFIHQGG-UHFFFAOYSA-N 0 0 415.002 6.417 40 0 HKABRN COc1ccc(C2(NC(=S)Nc3ccc(OC4CCCC4)cc3)CCCC2)cc1 ZINC000225869037 568682236 /nfs/dbraw/zinc/68/22/36/568682236.db2.gz UDBOGNDTZCCQGJ-UHFFFAOYSA-N 0 0 410.583 5.773 40 0 HKABRN CCOCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C ZINC000225869049 520046108 /nfs/dbraw/zinc/04/61/08/520046108.db2.gz JYKXOVIRLJWNQX-UHFFFAOYSA-N 0 0 416.949 5.299 40 0 HKABRN CCOc1ccc(C2(NC(=S)Nc3ccc(OC4CCCC4)cc3)CCCC2)cc1 ZINC000225869059 568682163 /nfs/dbraw/zinc/68/21/63/568682163.db2.gz KNPYVORWNIZLAO-UHFFFAOYSA-N 0 0 424.610 6.163 40 0 HKABRN O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)C1(c2ccccc2)CCCC1 ZINC000225869179 568682107 /nfs/dbraw/zinc/68/21/07/568682107.db2.gz ICQXXOFWURWZIS-UHFFFAOYSA-N 0 0 403.497 5.533 40 0 HKABRN S=C(Nc1ccc(OC2CCCC2)cc1)NC1(CCc2ccccc2)CCCC1 ZINC000225869295 568682200 /nfs/dbraw/zinc/68/22/00/568682200.db2.gz HPEUIJNAUQXLNG-UHFFFAOYSA-N 0 0 408.611 6.240 40 0 HKABRN Cc1cccc(CCC2(NC(=S)Nc3ccc(OC4CCCC4)cc3)CCCC2)c1 ZINC000225869315 568682178 /nfs/dbraw/zinc/68/21/78/568682178.db2.gz AJNUOGJWCXNDLJ-UHFFFAOYSA-N 0 0 422.638 6.548 40 0 HKABRN Cc1ccccc1C1(NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)CCCC1 ZINC000225869424 525082058 /nfs/dbraw/zinc/08/20/58/525082058.db2.gz ZYLCOEHOJXXGJA-UHFFFAOYSA-N 0 0 407.583 5.186 40 0 HKABRN Cc1cccc(C2(NC(=S)Nc3ccc(N4CCCC4=O)c(C)c3)CCCC2)c1 ZINC000225869448 568682153 /nfs/dbraw/zinc/68/21/53/568682153.db2.gz NLAHSGYLAUEKRR-UHFFFAOYSA-N 0 0 407.583 5.186 40 0 HKABRN Cc1ccc(C2(NC(=S)Nc3ccc(N4CCCC4=O)c(C)c3)CCCC2)cc1 ZINC000225869472 568682227 /nfs/dbraw/zinc/68/22/27/568682227.db2.gz IIQBBEPXNKEFLS-UHFFFAOYSA-N 0 0 407.583 5.186 40 0 HKABRN Cc1cc(NC(=S)NC2(CCc3ccccc3)CCCC2)ccc1N1CCCC1=O ZINC000225869793 568682203 /nfs/dbraw/zinc/68/22/03/568682203.db2.gz SBMWWPJRRVJNNX-UHFFFAOYSA-N 0 0 421.610 5.354 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c2cccnc12 ZINC000225869852 568682156 /nfs/dbraw/zinc/68/21/56/568682156.db2.gz PSRGFQLJGLSZLP-UHFFFAOYSA-N 0 0 408.929 6.128 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c2cccnc12 ZINC000225869880 568682187 /nfs/dbraw/zinc/68/21/87/568682187.db2.gz XDZFBEPCLWDGLU-UHFFFAOYSA-N 0 0 422.956 6.518 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c2cccnc12 ZINC000225869907 568682119 /nfs/dbraw/zinc/68/21/19/568682119.db2.gz XHYNGXRCPDRIGA-UHFFFAOYSA-N 0 0 422.956 6.516 40 0 HKABRN Cc1ccc(NC(=S)NC2(c3ccccc3C)CCCC2)cc1N1CCCC1=O ZINC000225869923 525266419 /nfs/dbraw/zinc/26/64/19/525266419.db2.gz YZQQXUHROABBFP-UHFFFAOYSA-N 0 0 407.583 5.186 40 0 HKABRN Cc1cccc(C2(NC(=S)Nc3ccc(C)c(N4CCCC4=O)c3)CCCC2)c1 ZINC000225869942 568682213 /nfs/dbraw/zinc/68/22/13/568682213.db2.gz SINNUBKLTGCKGF-UHFFFAOYSA-N 0 0 407.583 5.186 40 0 HKABRN Cc1ccc(C2(NC(=S)Nc3ccc(C)c(N4CCCC4=O)c3)CCCC2)cc1 ZINC000225869962 568682229 /nfs/dbraw/zinc/68/22/29/568682229.db2.gz JDQTVLOGTZFBJF-UHFFFAOYSA-N 0 0 407.583 5.186 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c(C)n1 ZINC000225870206 520885230 /nfs/dbraw/zinc/88/52/30/520885230.db2.gz VQAWKGLWXREXNG-UHFFFAOYSA-N 0 0 400.950 6.063 40 0 HKABRN CCOCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c(C)n1 ZINC000225870250 568682446 /nfs/dbraw/zinc/68/24/46/568682446.db2.gz JPXFCMPXSBWTTO-UHFFFAOYSA-N 0 0 416.949 5.299 40 0 HKABRN Cc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1N1CCCC1=O ZINC000225870260 568682337 /nfs/dbraw/zinc/68/23/37/568682337.db2.gz NIJSSPXTCOMBKF-UHFFFAOYSA-N 0 0 421.610 5.354 40 0 HKABRN CCCCOc1ncc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C ZINC000225870349 568682329 /nfs/dbraw/zinc/68/23/29/568682329.db2.gz DTZJMUXTNBFKHB-UHFFFAOYSA-N 0 0 400.950 6.063 40 0 HKABRN CCOCCOc1ncc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C ZINC000225870380 568682331 /nfs/dbraw/zinc/68/23/31/568682331.db2.gz HTAQBNYADMHIFV-UHFFFAOYSA-N 0 0 416.949 5.299 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c2cccnc12 ZINC000225870420 568682354 /nfs/dbraw/zinc/68/23/54/568682354.db2.gz AXDKRKVDZFOJKF-UHFFFAOYSA-N 0 0 408.929 6.128 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c2cccnc12 ZINC000225870450 568682357 /nfs/dbraw/zinc/68/23/57/568682357.db2.gz FJATUAZTNQCMDX-UHFFFAOYSA-N 0 0 422.956 6.518 40 0 HKABRN O=C1CCCN1c1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1 ZINC000225870464 568682482 /nfs/dbraw/zinc/68/24/82/568682482.db2.gz ZVVUNRTYAKVTMD-UHFFFAOYSA-N 0 0 413.974 5.223 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c2cccnc12 ZINC000225870471 519780464 /nfs/dbraw/zinc/78/04/64/519780464.db2.gz RMIYBYVBIPGIQE-UHFFFAOYSA-N 0 0 422.956 6.516 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cn1 ZINC000225870602 520388038 /nfs/dbraw/zinc/38/80/38/520388038.db2.gz PFPOJOZBQFLLTO-UHFFFAOYSA-N 0 0 407.341 6.018 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cn1 ZINC000225870625 520883985 /nfs/dbraw/zinc/88/39/85/520883985.db2.gz KVKXFSAAQAFDBK-UHFFFAOYSA-N 0 0 421.368 6.408 40 0 HKABRN COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cn1 ZINC000225870671 568682427 /nfs/dbraw/zinc/68/24/27/568682427.db2.gz OCLJRKFDGKYVNC-UHFFFAOYSA-N 0 0 423.340 5.254 40 0 HKABRN O=C1CCCN1c1cccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c1 ZINC000225870688 568682441 /nfs/dbraw/zinc/68/24/41/568682441.db2.gz OSIAUFBPZMVDJI-UHFFFAOYSA-N 0 0 407.583 5.045 40 0 HKABRN Cc1cccc(CCC2(NC(=S)Nc3cccc(N4CCCC4=O)c3)CCCC2)c1 ZINC000225870709 568682455 /nfs/dbraw/zinc/68/24/55/568682455.db2.gz SMTCXESOKWZNFE-UHFFFAOYSA-N 0 0 421.610 5.354 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C)n1 ZINC000225870733 568682364 /nfs/dbraw/zinc/68/23/64/568682364.db2.gz NRUNEGFTEDYHAT-UHFFFAOYSA-N 0 0 407.341 5.936 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C)n1 ZINC000225870763 568682434 /nfs/dbraw/zinc/68/24/34/568682434.db2.gz CSBVCXJARBMPBX-UHFFFAOYSA-N 0 0 421.368 6.326 40 0 HKABRN O=C(c1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1)N1CCCCC1 ZINC000225870784 568682449 /nfs/dbraw/zinc/68/24/49/568682449.db2.gz NZYWHQRRRALAQF-UHFFFAOYSA-N 0 0 407.583 5.069 40 0 HKABRN Cc1ccccc1C1(NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)CCCC1 ZINC000225870804 568682383 /nfs/dbraw/zinc/68/23/83/568682383.db2.gz KCXQJKOAGZISMP-UHFFFAOYSA-N 0 0 421.610 5.377 40 0 HKABRN Cc1cccc(C2(NC(=S)Nc3ccc(C(=O)N4CCCCC4)cc3)CCCC2)c1 ZINC000225870826 568682390 /nfs/dbraw/zinc/68/23/90/568682390.db2.gz AJXOSTVDEMUEEV-UHFFFAOYSA-N 0 0 421.610 5.377 40 0 HKABRN Cc1ccc(C2(NC(=S)Nc3ccc(C(=O)N4CCCCC4)cc3)CCCC2)cc1 ZINC000225870845 568682408 /nfs/dbraw/zinc/68/24/08/568682408.db2.gz YRDIQDANIIVSSR-UHFFFAOYSA-N 0 0 421.610 5.377 40 0 HKABRN CSc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)c1 ZINC000225870869 568682476 /nfs/dbraw/zinc/68/24/76/568682476.db2.gz ZKOUQCDHZZFHNN-ZHZULCJRSA-N 0 0 408.548 5.188 40 0 HKABRN CCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C ZINC000225870884 521610828 /nfs/dbraw/zinc/61/08/28/521610828.db2.gz CHAOVHZDXFBEOS-UHFFFAOYSA-N 0 0 407.341 5.936 40 0 HKABRN CCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C ZINC000225870904 568682367 /nfs/dbraw/zinc/68/23/67/568682367.db2.gz CHIPIEHEQWWWFB-UHFFFAOYSA-N 0 0 421.368 6.326 40 0 HKABRN O=C(c1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1)N1CCCCC1 ZINC000225871104 568682417 /nfs/dbraw/zinc/68/24/17/568682417.db2.gz STGFWMKYXURMEM-UHFFFAOYSA-N 0 0 413.612 5.130 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c2cccnc12 ZINC000225871619 568682393 /nfs/dbraw/zinc/68/23/93/568682393.db2.gz RQVGACKILKMPQN-UHFFFAOYSA-N 0 0 404.510 5.483 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c2cccnc12 ZINC000225871653 520389048 /nfs/dbraw/zinc/38/90/48/520389048.db2.gz GYRMGHJTIFDJRV-UHFFFAOYSA-N 0 0 418.537 5.873 40 0 HKABRN COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ncccc34)CCCCC2)cc1 ZINC000225871688 523867409 /nfs/dbraw/zinc/86/74/09/523867409.db2.gz WXLINJAOSADJHQ-UHFFFAOYSA-N 0 0 418.537 5.871 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c2cccnc12 ZINC000225872304 568682420 /nfs/dbraw/zinc/68/24/20/568682420.db2.gz LYPJVEADTIMMHD-UHFFFAOYSA-N 0 0 404.510 5.101 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1conc1-c1ccccc1 ZINC000225872447 568682396 /nfs/dbraw/zinc/68/23/96/568682396.db2.gz KSKZWUJFFKQKLU-UHFFFAOYSA-N 0 0 402.837 5.478 40 0 HKABRN O=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1SCc1ccccc1 ZINC000225873059 568682599 /nfs/dbraw/zinc/68/25/99/568682599.db2.gz WELCNUBJAIQSPI-UHFFFAOYSA-N 0 0 417.574 5.457 40 0 HKABRN Cc1cccc([C@@H](NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)c1 ZINC000225873361 568682709 /nfs/dbraw/zinc/68/27/09/568682709.db2.gz PEWUSLZSOPRFJZ-RLWLMLJZSA-N 0 0 401.550 6.100 40 0 HKABRN Cc1cccc([C@H](NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)c1 ZINC000225873373 568682564 /nfs/dbraw/zinc/68/25/64/568682564.db2.gz PEWUSLZSOPRFJZ-QFQXNSOFSA-N 0 0 401.550 6.100 40 0 HKABRN Cc1cccc([C@@H](NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)c1 ZINC000225873391 568682647 /nfs/dbraw/zinc/68/26/47/568682647.db2.gz PEWUSLZSOPRFJZ-LVXARBLLSA-N 0 0 401.550 6.100 40 0 HKABRN Cc1cccc([C@H](NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)c1 ZINC000225873403 568682674 /nfs/dbraw/zinc/68/26/74/568682674.db2.gz PEWUSLZSOPRFJZ-HFZDXXHNSA-N 0 0 401.550 6.100 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c2cccnc12 ZINC000225873457 568682569 /nfs/dbraw/zinc/68/25/69/568682569.db2.gz VDJDFRXHXQMGLX-UHFFFAOYSA-N 0 0 404.510 5.019 40 0 HKABRN Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)c4ncccc34)CCOCC2)c1 ZINC000225873478 568682664 /nfs/dbraw/zinc/68/26/64/568682664.db2.gz FAUFPSCQEJKZDY-UHFFFAOYSA-N 0 0 404.510 5.017 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c2cccnc12 ZINC000225873500 520883575 /nfs/dbraw/zinc/88/35/75/520883575.db2.gz HJPYXOHCPZSLEQ-UHFFFAOYSA-N 0 0 418.537 5.409 40 0 HKABRN Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ncccc34)CCOCC2)c1 ZINC000225873525 524330253 /nfs/dbraw/zinc/33/02/53/524330253.db2.gz OGWYQGXMLLPLHO-UHFFFAOYSA-N 0 0 418.537 5.265 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c2cccnc12 ZINC000225873981 568682643 /nfs/dbraw/zinc/68/26/43/568682643.db2.gz WRLMCJTYULGWHM-UHFFFAOYSA-N 0 0 404.510 5.019 40 0 HKABRN Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ncccc34)CCOCC2)cc1 ZINC000225874007 568682681 /nfs/dbraw/zinc/68/26/81/568682681.db2.gz FKWPSLXHXGLSKN-UHFFFAOYSA-N 0 0 404.510 5.017 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c2cccnc12 ZINC000225874026 568682718 /nfs/dbraw/zinc/68/27/18/568682718.db2.gz SUQBZRXCUCZKPP-UHFFFAOYSA-N 0 0 418.537 5.409 40 0 HKABRN Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ncccc34)CCOCC2)cc1 ZINC000225874041 568682661 /nfs/dbraw/zinc/68/26/61/568682661.db2.gz RBZNILGVPJZPOQ-UHFFFAOYSA-N 0 0 418.537 5.265 40 0 HKABRN Cc1ccc(CCC(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1C ZINC000225874155 568682620 /nfs/dbraw/zinc/68/26/20/568682620.db2.gz SOLMLPFDMCDRQK-UHFFFAOYSA-N 0 0 409.982 6.820 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2cccnc12 ZINC000225874648 520886579 /nfs/dbraw/zinc/88/65/79/520886579.db2.gz ZSVPZAGYTZQKND-UHFFFAOYSA-N 0 0 422.500 5.240 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2cccnc12 ZINC000225874671 568682630 /nfs/dbraw/zinc/68/26/30/568682630.db2.gz FLYWVCVAQBFYFC-UHFFFAOYSA-N 0 0 422.500 5.096 40 0 HKABRN COc1ccc2cc(S(=O)(=O)Nc3ccc(OCc4ccccc4)cc3)ccc2c1 ZINC000225875521 568682624 /nfs/dbraw/zinc/68/26/24/568682624.db2.gz UHFVRXITOUEKBB-UHFFFAOYSA-N 0 0 419.502 5.228 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2cccnc12 ZINC000225875986 568682650 /nfs/dbraw/zinc/68/26/50/568682650.db2.gz ZEUBWYISHPUQKU-UHFFFAOYSA-N 0 0 422.500 5.240 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2cccnc12 ZINC000225876011 568682639 /nfs/dbraw/zinc/68/26/39/568682639.db2.gz FYFIHUHGNAZMBL-UHFFFAOYSA-N 0 0 422.500 5.096 40 0 HKABRN CC(C)(C)c1ccccc1OCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000225876173 568682909 /nfs/dbraw/zinc/68/29/09/568682909.db2.gz YZSFPCFOSIYHEG-UHFFFAOYSA-N 0 0 401.919 5.174 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](c1ccccc1)c1cccc(C)c1 ZINC000225876437 568682882 /nfs/dbraw/zinc/68/28/82/568682882.db2.gz JLGLUTRGYPSHIG-SXOMAYOGSA-N 0 0 413.561 5.937 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2cccnc12 ZINC000225876443 568682965 /nfs/dbraw/zinc/68/29/65/568682965.db2.gz NZJVUVQPAVRIPD-UHFFFAOYSA-N 0 0 424.928 5.364 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](c1ccccc1)c1cccc(C)c1 ZINC000225876449 568682933 /nfs/dbraw/zinc/68/29/33/568682933.db2.gz JLGLUTRGYPSHIG-SVBPBHIXSA-N 0 0 413.561 5.937 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2cccnc12 ZINC000225876466 519780475 /nfs/dbraw/zinc/78/04/75/519780475.db2.gz GJMAMLTWRUXDCQ-UHFFFAOYSA-N 0 0 424.928 5.362 40 0 HKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](c1ccccc1)c1cccc(C)c1 ZINC000225876467 523044284 /nfs/dbraw/zinc/04/42/84/523044284.db2.gz JLGLUTRGYPSHIG-KAYWLYCHSA-N 0 0 413.561 5.937 40 0 HKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](c1ccccc1)c1cccc(C)c1 ZINC000225876482 568682975 /nfs/dbraw/zinc/68/29/75/568682975.db2.gz JLGLUTRGYPSHIG-RRPNLBNLSA-N 0 0 413.561 5.937 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2cccnc12 ZINC000225876951 568682957 /nfs/dbraw/zinc/68/29/57/568682957.db2.gz FHKPZFNUNSMAQR-UHFFFAOYSA-N 0 0 424.928 5.364 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2cccnc12 ZINC000225876975 568682919 /nfs/dbraw/zinc/68/29/19/568682919.db2.gz GBRHPFBRAXIAHF-UHFFFAOYSA-N 0 0 424.928 5.362 40 0 HKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cn1 ZINC000225877099 568682903 /nfs/dbraw/zinc/68/29/03/568682903.db2.gz FXISTXQAELOCQF-UHFFFAOYSA-N 0 0 423.340 5.254 40 0 HKABRN COc1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c2cccnc12 ZINC000225877250 568682923 /nfs/dbraw/zinc/68/29/23/568682923.db2.gz JBFXCGNAIWPABO-UHFFFAOYSA-N 0 0 411.958 5.653 40 0 HKABRN CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)c(C)n1 ZINC000225877262 568682905 /nfs/dbraw/zinc/68/29/05/568682905.db2.gz XNNPENKINFKDQN-UHFFFAOYSA-N 0 0 423.340 5.173 40 0 HKABRN COc1ccc(C2(NC(=S)Nc3ccc(OC)c4ncccc34)CCCC2)cc1 ZINC000225877274 523870400 /nfs/dbraw/zinc/87/04/00/523870400.db2.gz ILSLQZGKYVVXEQ-UHFFFAOYSA-N 0 0 407.539 5.008 40 0 HKABRN CCOc1ccc(C2(NC(=S)Nc3ccc(OC)c4ncccc34)CCCC2)cc1 ZINC000225877297 568682959 /nfs/dbraw/zinc/68/29/59/568682959.db2.gz DVPUQJZIKTZTJR-UHFFFAOYSA-N 0 0 421.566 5.398 40 0 HKABRN CCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C ZINC000225877433 520497892 /nfs/dbraw/zinc/49/78/92/520497892.db2.gz CJWAELUMDZBAHA-UHFFFAOYSA-N 0 0 423.340 5.173 40 0 HKABRN COc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c2cccnc12 ZINC000225877578 524666326 /nfs/dbraw/zinc/66/63/26/524666326.db2.gz HYWJGPLQROJHHT-UHFFFAOYSA-N 0 0 405.567 5.475 40 0 HKABRN COc1ccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)c2cccnc12 ZINC000225877605 524666308 /nfs/dbraw/zinc/66/63/08/524666308.db2.gz BLYLNLXAJOCMQO-UHFFFAOYSA-N 0 0 419.594 5.784 40 0 HKABRN CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccccc1 ZINC000225881750 568683204 /nfs/dbraw/zinc/68/32/04/568683204.db2.gz WERIJDBYCZUPSP-NCJDQSJGSA-N 0 0 404.535 5.095 40 0 HKABRN CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccccc1 ZINC000225881772 568683139 /nfs/dbraw/zinc/68/31/39/568683139.db2.gz WERIJDBYCZUPSP-YVUGPFRESA-N 0 0 404.535 5.095 40 0 HKABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2C(C)C)c1 ZINC000225883080 568683043 /nfs/dbraw/zinc/68/30/43/568683043.db2.gz SMTHBQUFIVEFGG-JCMHNJIXSA-N 0 0 404.535 5.590 40 0 HKABRN COc1cc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C(C)C ZINC000225884315 568683417 /nfs/dbraw/zinc/68/34/17/568683417.db2.gz BXCLJPQAIZGTKY-UHFFFAOYSA-N 0 0 421.868 5.600 40 0 HKABRN CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c2cccnc12 ZINC000225885359 568683451 /nfs/dbraw/zinc/68/34/51/568683451.db2.gz LIMUZKPNBHSHII-UHFFFAOYSA-N 0 0 400.563 5.830 40 0 HKABRN COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 ZINC000225885380 568683406 /nfs/dbraw/zinc/68/34/06/568683406.db2.gz XXSFRZMRWBSOLU-UHFFFAOYSA-N 0 0 400.563 5.686 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000225890003 568683681 /nfs/dbraw/zinc/68/36/81/568683681.db2.gz WYFHABMDNLPLMA-UHFFFAOYSA-N 0 0 403.869 5.629 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000225890063 568683679 /nfs/dbraw/zinc/68/36/79/568683679.db2.gz LEDUQVAGVJKSTC-UHFFFAOYSA-N 0 0 415.880 5.068 40 0 HKABRN Cc1nc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc2n1C ZINC000225894487 568683926 /nfs/dbraw/zinc/68/39/26/568683926.db2.gz KPVJKWNHYMHMAE-UHFFFAOYSA-N 0 0 403.869 5.018 40 0 HKABRN CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)c2cccnc12 ZINC000225896209 568684294 /nfs/dbraw/zinc/68/42/94/568684294.db2.gz HLNPJVBZHGQVFL-UHFFFAOYSA-N 0 0 400.563 5.830 40 0 HKABRN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c2ncccc12 ZINC000225896229 568684275 /nfs/dbraw/zinc/68/42/75/568684275.db2.gz FQEQNYNQJQTAGO-UHFFFAOYSA-N 0 0 400.563 5.828 40 0 HKABRN CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)c2cccnc12 ZINC000225896253 568684163 /nfs/dbraw/zinc/68/41/63/568684163.db2.gz JKKAWKOYRILYFX-UHFFFAOYSA-N 0 0 414.590 6.220 40 0 HKABRN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 ZINC000225896271 568684174 /nfs/dbraw/zinc/68/41/74/568684174.db2.gz WBQSFJNOKMNUOO-UHFFFAOYSA-N 0 0 414.590 6.076 40 0 HKABRN CCc1nc2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc2n1C ZINC000225897553 568684215 /nfs/dbraw/zinc/68/42/15/568684215.db2.gz MABPYFVXKIFDFK-UHFFFAOYSA-N 0 0 405.885 5.834 40 0 HKABRN CCc1nc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc2n1C ZINC000225897656 522482099 /nfs/dbraw/zinc/48/20/99/522482099.db2.gz WDSGAPYOCWMULC-UHFFFAOYSA-N 0 0 417.896 5.272 40 0 HKABRN C[C@@H]1Cc2cc(Br)ccc2N1C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000225898519 568684162 /nfs/dbraw/zinc/68/41/62/568684162.db2.gz BLERZSXLZDDFQP-LLVKDONJSA-N 0 0 417.690 5.349 40 0 HKABRN C[C@H]1Cc2cc(Br)ccc2N1C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000225898532 568684326 /nfs/dbraw/zinc/68/43/26/568684326.db2.gz BLERZSXLZDDFQP-NSHDSACASA-N 0 0 417.690 5.349 40 0 HKABRN CC(C)c1nc(Cc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cc2)no1 ZINC000225899081 568684503 /nfs/dbraw/zinc/68/45/03/568684503.db2.gz OJPLYNICHHMUME-UHFFFAOYSA-N 0 0 422.872 5.345 40 0 HKABRN O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccccc1)Cc1ccccc1 ZINC000225899818 526589091 /nfs/dbraw/zinc/58/90/91/526589091.db2.gz YNOFJVJZQSGIBX-UHFFFAOYSA-N 0 0 402.881 5.838 40 0 HKABRN O=C(Nc1ccccc1Sc1ccccc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000225899948 568684512 /nfs/dbraw/zinc/68/45/12/568684512.db2.gz RVBZQFBLHPTFPA-UHFFFAOYSA-N 0 0 406.894 6.399 40 0 HKABRN CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCOCC)nc1C ZINC000225906659 568684726 /nfs/dbraw/zinc/68/47/26/568684726.db2.gz CQZZGPNQQJJUBO-UHFFFAOYSA-N 0 0 408.583 5.001 40 0 HKABRN CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1cnc(OCCOCC)c(C)c1 ZINC000225906804 568685073 /nfs/dbraw/zinc/68/50/73/568685073.db2.gz XZEANRWZOMMOTH-UHFFFAOYSA-N 0 0 408.583 5.001 40 0 HKABRN CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC)c2ncccc12 ZINC000225906847 568685095 /nfs/dbraw/zinc/68/50/95/568685095.db2.gz FFYDQIOWXBMLEG-UHFFFAOYSA-N 0 0 400.563 5.830 40 0 HKABRN CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)c2cccnc12 ZINC000225906869 568685016 /nfs/dbraw/zinc/68/50/16/568685016.db2.gz PKZJUVVBZXFWSF-UHFFFAOYSA-N 0 0 414.590 6.220 40 0 HKABRN CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c2ncccc12 ZINC000225906890 520225776 /nfs/dbraw/zinc/22/57/76/520225776.db2.gz IGDGCGVLTWZLGI-UHFFFAOYSA-N 0 0 414.590 6.218 40 0 HKABRN O=C(Nc1ccc2sncc2c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000225906908 568685035 /nfs/dbraw/zinc/68/50/35/568685035.db2.gz WZLVNYAEBZVUBT-CQSZACIVSA-N 0 0 420.365 5.454 40 0 HKABRN O=C(Nc1ccc2sncc2c1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000225906923 568685173 /nfs/dbraw/zinc/68/51/73/568685173.db2.gz WZLVNYAEBZVUBT-AWEZNQCLSA-N 0 0 420.365 5.454 40 0 HKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCC)c2ncccc12 ZINC000225908834 568685116 /nfs/dbraw/zinc/68/51/16/568685116.db2.gz WZCNYNYHXPRNCA-XMMPIXPASA-N 0 0 400.563 6.118 40 0 HKABRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCC)c2ncccc12 ZINC000225908857 568685085 /nfs/dbraw/zinc/68/50/85/568685085.db2.gz WZCNYNYHXPRNCA-DEOSSOPVSA-N 0 0 400.563 6.118 40 0 HKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 ZINC000225908875 568685147 /nfs/dbraw/zinc/68/51/47/568685147.db2.gz IYTLXLDVQCMZKC-XMMPIXPASA-N 0 0 400.563 5.974 40 0 HKABRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 ZINC000225908890 568685123 /nfs/dbraw/zinc/68/51/23/568685123.db2.gz IYTLXLDVQCMZKC-DEOSSOPVSA-N 0 0 400.563 5.974 40 0 HKABRN O=C(Nc1ccc2sncc2c1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000225909923 568685527 /nfs/dbraw/zinc/68/55/27/568685527.db2.gz XLGRGVZOUFTZIQ-CYBMUJFWSA-N 0 0 420.365 5.454 40 0 HKABRN O=C(Nc1ccc2sncc2c1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000225909940 568685391 /nfs/dbraw/zinc/68/53/91/568685391.db2.gz XLGRGVZOUFTZIQ-ZDUSSCGKSA-N 0 0 420.365 5.454 40 0 HKABRN S=C(NCc1ccco1)Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1 ZINC000225913058 526385397 /nfs/dbraw/zinc/38/53/97/526385397.db2.gz NDCGZQVRRQSXQB-UHFFFAOYSA-N 0 0 418.478 5.141 40 0 HKABRN Cc1cc(C)nc(Nc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)n1 ZINC000225913754 524594467 /nfs/dbraw/zinc/59/44/67/524594467.db2.gz IEPCCCWKOHWSRS-UHFFFAOYSA-N 0 0 422.532 5.680 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)c2ccccc12 ZINC000225915032 568685721 /nfs/dbraw/zinc/68/57/21/568685721.db2.gz KCCGHHRZYJYLIM-UHFFFAOYSA-N 0 0 405.494 5.317 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)c2ccccc12 ZINC000225915080 568685656 /nfs/dbraw/zinc/68/56/56/568685656.db2.gz FDKVWMDILKTLAM-UHFFFAOYSA-N 0 0 419.521 5.565 40 0 HKABRN Cc1cc(C)nc(Nc2cccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c2)n1 ZINC000225915525 568685749 /nfs/dbraw/zinc/68/57/49/568685749.db2.gz RTWOSAQUWRMNBO-UHFFFAOYSA-N 0 0 422.532 5.680 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)c2ccccc12 ZINC000225915919 568685724 /nfs/dbraw/zinc/68/57/24/568685724.db2.gz MWZMGGDWJCIDSK-UHFFFAOYSA-N 0 0 411.542 5.527 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(C)COC(c3ccco3)OC2)c2ccccc12 ZINC000225917367 519763086 /nfs/dbraw/zinc/76/30/86/519763086.db2.gz VHCDDQHGRNYPSW-UHFFFAOYSA-N 0 0 409.482 5.158 40 0 HKABRN Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000225917902 568685998 /nfs/dbraw/zinc/68/59/98/568685998.db2.gz HBUFDAHNIOHXSS-UHFFFAOYSA-N 0 0 410.477 5.882 40 0 HKABRN Cc1cc(C)nc(Nc2ccccc2C(=O)N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000225918129 568685943 /nfs/dbraw/zinc/68/59/43/568685943.db2.gz RMSQUFDAKXMBLE-UHFFFAOYSA-N 0 0 422.532 5.680 40 0 HKABRN Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000225918568 524595012 /nfs/dbraw/zinc/59/50/12/524595012.db2.gz WOXBOVMYOAXWTP-UHFFFAOYSA-N 0 0 410.477 5.882 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)cc1 ZINC000225918600 568685965 /nfs/dbraw/zinc/68/59/65/568685965.db2.gz OROFKEASHHJPPA-UHFFFAOYSA-N 0 0 418.497 5.046 40 0 HKABRN Cc1cc(C)nc(Nc2ccccc2C(=O)NC(c2ccccc2)c2ccccc2)n1 ZINC000225918690 568685962 /nfs/dbraw/zinc/68/59/62/568685962.db2.gz SSPKSGBQLQCIHL-UHFFFAOYSA-N 0 0 408.505 5.356 40 0 HKABRN COc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)c2ccccc12 ZINC000225919255 568685923 /nfs/dbraw/zinc/68/59/23/568685923.db2.gz OHRJZVJDCLRCPO-UHFFFAOYSA-N 0 0 411.885 5.192 40 0 HKABRN Cc1cc(Oc2ccccc2)nc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 ZINC000225919349 568685984 /nfs/dbraw/zinc/68/59/84/568685984.db2.gz WVFRYRSFKMVKRD-UHFFFAOYSA-N 0 0 416.506 5.324 40 0 HKABRN CCOc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)c2ccccc12 ZINC000225919850 568685985 /nfs/dbraw/zinc/68/59/85/568685985.db2.gz SYSDTCNLRJKDCZ-UHFFFAOYSA-N 0 0 409.457 5.068 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)c2ccccc12 ZINC000225919882 568685993 /nfs/dbraw/zinc/68/59/93/568685993.db2.gz VXBYTWHGYIDNMS-UHFFFAOYSA-N 0 0 423.484 5.457 40 0 HKABRN CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)c2ccccc12 ZINC000225920312 568686161 /nfs/dbraw/zinc/68/61/61/568686161.db2.gz ZORANNLVTSVVEZ-UHFFFAOYSA-N 0 0 409.457 5.068 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)c2ccccc12 ZINC000225920337 568686181 /nfs/dbraw/zinc/68/61/81/568686181.db2.gz FJCWMAVHOKSYPM-UHFFFAOYSA-N 0 0 423.484 5.457 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(C)COC(c3cccc(C(F)(F)F)c3)OC2)cc1 ZINC000225920520 568686168 /nfs/dbraw/zinc/68/61/68/568686168.db2.gz LLDYRRONWFSKGQ-UHFFFAOYSA-N 0 0 423.431 5.183 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(C)COC(c3cccs3)OC2)c2ccccc12 ZINC000225921789 568686183 /nfs/dbraw/zinc/68/61/83/568686183.db2.gz CKXVOKPVCMJRMY-UHFFFAOYSA-N 0 0 411.523 5.379 40 0 HKABRN CC(C)COc1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)c2ccccc12 ZINC000225924752 568686464 /nfs/dbraw/zinc/68/64/64/568686464.db2.gz NDTRBLKGPGLIRV-UHFFFAOYSA-N 0 0 400.519 5.116 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)c2ccccc12 ZINC000225925172 568686491 /nfs/dbraw/zinc/68/64/91/568686491.db2.gz GWERPSITTCXHOR-UHFFFAOYSA-N 0 0 420.509 5.271 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)c2ccccc12 ZINC000225926687 568686720 /nfs/dbraw/zinc/68/67/20/568686720.db2.gz YDTBWBFHRTVZBC-UHFFFAOYSA-N 0 0 420.553 5.138 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)c2ccccc12 ZINC000225931859 568686975 /nfs/dbraw/zinc/68/69/75/568686975.db2.gz OWXHISXVYPPRGD-UHFFFAOYSA-N 0 0 407.513 5.914 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)c2ccccc12 ZINC000225931879 519780453 /nfs/dbraw/zinc/78/04/53/519780453.db2.gz SZVMVQXSLVKPPH-UHFFFAOYSA-N 0 0 421.540 6.302 40 0 HKABRN CCOC(=O)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 ZINC000225932342 568687180 /nfs/dbraw/zinc/68/71/80/568687180.db2.gz ISWDLBTWRSAWBJ-UHFFFAOYSA-N 0 0 415.917 5.123 40 0 HKABRN O=C(Nc1ccc(OC2CSC2)cc1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000225932540 527246347 /nfs/dbraw/zinc/24/63/47/527246347.db2.gz GVEBFDRHTIYGAR-UHFFFAOYSA-N 0 0 401.959 5.675 40 0 HKABRN Cc1ccc(C2(C(=O)Nc3ccc(OC(F)(F)F)cc3)Cc3ccccc3C2)cc1 ZINC000225933626 568687125 /nfs/dbraw/zinc/68/71/25/568687125.db2.gz JXKYADWHYQPGID-UHFFFAOYSA-N 0 0 411.423 5.569 40 0 HKABRN COc1ccc(NC(=O)C2(c3ccc(C)cc3)Cc3ccccc3C2)c2ccccc12 ZINC000225933651 568687162 /nfs/dbraw/zinc/68/71/62/568687162.db2.gz QABHKFHMXXQPIB-UHFFFAOYSA-N 0 0 407.513 5.832 40 0 HKABRN CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)Cc3ccccc3C2)c2ccccc12 ZINC000225933789 568687209 /nfs/dbraw/zinc/68/72/09/568687209.db2.gz AEOAOPRWNNULDF-UHFFFAOYSA-N 0 0 421.540 6.222 40 0 HKABRN Cc1ccc(C2(C(=O)Nc3ccc(OC4CSC4)cc3)Cc3ccccc3C2)cc1 ZINC000225933961 524228796 /nfs/dbraw/zinc/22/87/96/524228796.db2.gz ZFJJKRCDOVWJGT-UHFFFAOYSA-N 0 0 415.558 5.165 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)cc1 ZINC000225934055 568687137 /nfs/dbraw/zinc/68/71/37/568687137.db2.gz OBIRSIKOXKRUBD-UHFFFAOYSA-N 0 0 405.925 5.803 40 0 HKABRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)cc1OC ZINC000225934131 568687196 /nfs/dbraw/zinc/68/71/96/568687196.db2.gz QMRJUHGLNGRWOA-UHFFFAOYSA-N 0 0 407.897 5.033 40 0 HKABRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)c(OC)c1 ZINC000225934151 568687188 /nfs/dbraw/zinc/68/71/88/568687188.db2.gz NJGQBMAMFWMNEG-UHFFFAOYSA-N 0 0 407.897 5.033 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)cn1 ZINC000225934268 568687140 /nfs/dbraw/zinc/68/71/40/568687140.db2.gz HZJNJVOBRTUEDF-UHFFFAOYSA-N 0 0 406.913 5.198 40 0 HKABRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)cc1Cl ZINC000225934424 568687133 /nfs/dbraw/zinc/68/71/33/568687133.db2.gz SLJUFTAWOBQFIE-UHFFFAOYSA-N 0 0 412.316 5.677 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)c2ccccc12 ZINC000225934792 568687372 /nfs/dbraw/zinc/68/73/72/568687372.db2.gz ZFMKKHNSHGDCGY-UHFFFAOYSA-N 0 0 409.529 6.572 40 0 HKABRN CC(C)COc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)c2ccccc12 ZINC000225934846 568687374 /nfs/dbraw/zinc/68/73/74/568687374.db2.gz RJEOSKNROVKHSW-UHFFFAOYSA-N 0 0 423.556 6.819 40 0 HKABRN CCOc1ccc(NC(=O)C(CC)(c2ccccc2)c2ccccc2)c2ccccc12 ZINC000225935262 568687371 /nfs/dbraw/zinc/68/73/71/568687371.db2.gz XAQYFVICJZSOHV-UHFFFAOYSA-N 0 0 409.529 6.573 40 0 HKABRN CCC(C(=O)Nc1ccc(OC(C)C)c2ccccc12)(c1ccccc1)c1ccccc1 ZINC000225935284 568687355 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COc1ccc(NC(=O)C(Cc2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1 ZINC000225936353 568687391 /nfs/dbraw/zinc/68/73/91/568687391.db2.gz GZTBVILQVFRUSE-UHFFFAOYSA-N 0 0 421.540 6.171 40 0 HKABRN COc1ccc(NC(=O)C(Cc2ccc(C)cc2)(c2ccccc2)c2ccccc2)cc1 ZINC000225937408 568687379 /nfs/dbraw/zinc/68/73/79/568687379.db2.gz VNUQFWQTZKVBQP-UHFFFAOYSA-N 0 0 421.540 6.171 40 0 HKABRN COc1ccc(NC(=O)C(Cc2ccc(C)cc2)(c2ccccc2)c2ccccc2)cn1 ZINC000225937621 524467697 /nfs/dbraw/zinc/46/76/97/524467697.db2.gz LTELGLUBSVKROK-UHFFFAOYSA-N 0 0 422.528 5.566 40 0 HKABRN S=C(NCc1ccccc1Cl)Nc1nc(Cl)cc(Oc2ccccc2)n1 ZINC000225938959 526383981 /nfs/dbraw/zinc/38/39/81/526383981.db2.gz FQFHKKUMJZISEZ-UHFFFAOYSA-N 0 0 405.310 5.062 40 0 HKABRN CC(C)COc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)c2ccccc12 ZINC000225943528 519763088 /nfs/dbraw/zinc/76/30/88/519763088.db2.gz ICCZDURJCIWYMM-UHFFFAOYSA-N 0 0 409.957 6.735 40 0 HKABRN COc1ccc(NC(=O)C(Cc2ccccc2)(Cc2ccccc2)c2ccccc2)cc1 ZINC000225944005 568687941 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CC(C)Oc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)cc1C(F)(F)F ZINC000225953678 519780452 /nfs/dbraw/zinc/78/04/52/519780452.db2.gz ZXTYOCDLCUNUEU-UHFFFAOYSA-N 0 0 415.452 5.145 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)cc1C(F)(F)F ZINC000225954707 568688928 /nfs/dbraw/zinc/68/89/28/568688928.db2.gz AKYRQFVSFQHUTK-UHFFFAOYSA-N 0 0 415.452 5.002 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C(F)(F)F ZINC000225955023 568688848 /nfs/dbraw/zinc/68/88/48/568688848.db2.gz GJINHJMLYYWACM-UHFFFAOYSA-N 0 0 405.460 6.191 40 0 HKABRN COCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C(F)(F)F ZINC000225955071 568688915 /nfs/dbraw/zinc/68/89/15/568688915.db2.gz JOUHIEHXFXCEHL-UHFFFAOYSA-N 0 0 407.432 5.181 40 0 HKABRN CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C(F)(F)F ZINC000225955092 568688808 /nfs/dbraw/zinc/68/88/08/568688808.db2.gz WOSHJRJSYXPIMX-UHFFFAOYSA-N 0 0 405.460 6.333 40 0 HKABRN CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C(F)(F)F ZINC000225955114 519763213 /nfs/dbraw/zinc/76/32/13/519763213.db2.gz 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KQDBDAALWZAVJT-UHFFFAOYSA-N 0 0 420.538 5.680 40 0 HKABRN FC(F)(F)c1cc(Oc2ccccc2)nc(NC(=S)NC2CCCCCC2)n1 ZINC000226011226 527680079 /nfs/dbraw/zinc/68/00/79/527680079.db2.gz CGCNERCUKKVKNW-UHFFFAOYSA-N 0 0 410.465 5.297 40 0 HKABRN Cc1cccc2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(=O)oc12 ZINC000226035653 568691377 /nfs/dbraw/zinc/69/13/77/568691377.db2.gz DPIMCPCSGNJKGI-UHFFFAOYSA-N 0 0 405.837 5.799 40 0 HKABRN Cc1cccc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c(=O)oc12 ZINC000226035733 568691381 /nfs/dbraw/zinc/69/13/81/568691381.db2.gz BSBOWSDRHBWZGU-UHFFFAOYSA-N 0 0 417.848 5.238 40 0 HKABRN Cc1ccc2oc(=O)c(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2c1 ZINC000226037637 524087740 /nfs/dbraw/zinc/08/77/40/524087740.db2.gz HVHNYTJKURHFID-UHFFFAOYSA-N 0 0 405.837 5.799 40 0 HKABRN Cc1ccc2oc(=O)c(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2c1 ZINC000226037696 568691749 /nfs/dbraw/zinc/69/17/49/568691749.db2.gz CEAJVOWLUUEVST-UHFFFAOYSA-N 0 0 417.848 5.238 40 0 HKABRN COc1ccc2oc(=O)c(C(=O)Nc3ccccc3Sc3ccccc3)cc2c1 ZINC000226038493 525685343 /nfs/dbraw/zinc/68/53/43/525685343.db2.gz GCSXSKBXYZAGJP-UHFFFAOYSA-N 0 0 403.459 5.205 40 0 HKABRN COc1ccc2oc(=O)c(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2c1 ZINC000226038503 568691636 /nfs/dbraw/zinc/69/16/36/568691636.db2.gz FYXLUTHKRFYZDV-UHFFFAOYSA-N 0 0 421.836 5.500 40 0 HKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc2cccc(Cl)c2oc1=O ZINC000226039732 527173192 /nfs/dbraw/zinc/17/31/92/527173192.db2.gz IMXDYYWSTUJUDE-UHFFFAOYSA-N 0 0 402.155 5.371 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc2cccc(Cl)c2oc1=O ZINC000226039748 568691695 /nfs/dbraw/zinc/69/16/95/568691695.db2.gz BBWVRSWXFAWVRA-UHFFFAOYSA-N 0 0 402.155 5.371 40 0 HKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc2cccc(Cl)c2oc1=O ZINC000226039842 568691629 /nfs/dbraw/zinc/69/16/29/568691629.db2.gz AWGODUQSROUBBO-UHFFFAOYSA-N 0 0 405.837 5.278 40 0 HKABRN O=C(c1cc2cccc(Cl)c2oc1=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000226040164 526638267 /nfs/dbraw/zinc/63/82/67/526638267.db2.gz YMSREMPDGYXXCK-UHFFFAOYSA-N 0 0 403.865 5.289 40 0 HKABRN O=C(Nc1ccccc1Sc1ccccc1)c1cc2cccc(Cl)c2oc1=O ZINC000226040701 568691698 /nfs/dbraw/zinc/69/16/98/568691698.db2.gz VLCFOJRUVSPVKW-UHFFFAOYSA-N 0 0 407.878 5.850 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc2cc(Cl)ccc2oc1=O ZINC000226041549 527104030 /nfs/dbraw/zinc/10/40/30/527104030.db2.gz UUGOBZHDERMPGA-UHFFFAOYSA-N 0 0 402.155 5.371 40 0 HKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc2cc(Cl)ccc2oc1=O ZINC000226041586 568691623 /nfs/dbraw/zinc/69/16/23/568691623.db2.gz FMAPGYSORCSJEJ-UHFFFAOYSA-N 0 0 405.837 5.278 40 0 HKABRN O=C(c1cc2cc(Cl)ccc2oc1=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000226041799 568691707 /nfs/dbraw/zinc/69/17/07/568691707.db2.gz DDEGXLYSFBRCRZ-UHFFFAOYSA-N 0 0 403.865 5.289 40 0 HKABRN O=C(Nc1ccccc1Sc1ccccc1)c1cc2cc(Cl)ccc2oc1=O ZINC000226042138 568691615 /nfs/dbraw/zinc/69/16/15/568691615.db2.gz IARMXZINYASGGN-UHFFFAOYSA-N 0 0 407.878 5.850 40 0 HKABRN CCc1cc(Br)cc(C)c1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000226092299 568693910 /nfs/dbraw/zinc/69/39/10/568693910.db2.gz HTTGQQYTVMHDNN-UHFFFAOYSA-N 0 0 408.339 6.091 40 0 HKABRN CCc1cc(Br)cc(CC)c1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000226092311 568693902 /nfs/dbraw/zinc/69/39/02/568693902.db2.gz OYTMBCQLYDQFNE-UHFFFAOYSA-N 0 0 422.366 6.345 40 0 HKABRN CC(C)c1nc(Cc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)no1 ZINC000226092333 568693871 /nfs/dbraw/zinc/69/38/71/568693871.db2.gz XXTCLXNWOWZONR-UHFFFAOYSA-N 0 0 411.505 5.554 40 0 HKABRN CCc1cc(Br)cc(CC)c1NC(=O)c1ccc(Br)cc1 ZINC000226092533 568693957 /nfs/dbraw/zinc/69/39/57/568693957.db2.gz VRKJDLOEJCSVHK-UHFFFAOYSA-N 0 0 411.137 5.589 40 0 HKABRN CCc1cc(Br)cc(CC)c1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000226092614 568693790 /nfs/dbraw/zinc/69/37/90/568693790.db2.gz FSRWSKYPXDQQOV-UHFFFAOYSA-N 0 0 408.339 6.493 40 0 HKABRN CNc1nc(-c2ccc(OC)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cs1 ZINC000226092676 568693804 /nfs/dbraw/zinc/69/38/04/568693804.db2.gz CDEBNCPFORVTAJ-UHFFFAOYSA-N 0 0 415.518 5.780 40 0 HKABRN CCc1cc(Br)cc(CC)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000226093322 568693765 /nfs/dbraw/zinc/69/37/65/568693765.db2.gz KQHINQNEJNZBMY-UHFFFAOYSA-N 0 0 401.131 6.133 40 0 HKABRN CNc1nc(-c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3Cl)c2)cs1 ZINC000226093362 568693752 /nfs/dbraw/zinc/69/37/52/568693752.db2.gz IAGQNELDENOLMS-UHFFFAOYSA-N 0 0 408.310 5.420 40 0 HKABRN CCc1cc(Br)cc(CC)c1NC(=O)c1ccccc1Br ZINC000226093461 568693878 /nfs/dbraw/zinc/69/38/78/568693878.db2.gz IOADUXJBVSIZSQ-UHFFFAOYSA-N 0 0 411.137 5.589 40 0 HKABRN Cc1nc(-c2cccnc2)sc1C(=O)Nc1c(C)cc(Br)cc1C ZINC000226094442 568693916 /nfs/dbraw/zinc/69/39/16/568693916.db2.gz WGBXNILCARBJAN-UHFFFAOYSA-N 0 0 402.317 5.145 40 0 HKABRN CCc1cc(Br)cc(C)c1NC(=O)c1sc(-c2cccnc2)nc1C ZINC000226094453 568693756 /nfs/dbraw/zinc/69/37/56/568693756.db2.gz CBDOZEUDUQRNDJ-UHFFFAOYSA-N 0 0 416.344 5.399 40 0 HKABRN Cc1cc(Br)cc(C)c1NC(=O)c1cc2cc3ccccc3nc2s1 ZINC000226095712 568694039 /nfs/dbraw/zinc/69/40/39/568694039.db2.gz ADRUETXNDOQRRX-UHFFFAOYSA-N 0 0 411.324 6.081 40 0 HKABRN Cc1nc(-c2cccc(NC(=O)c3cc4cc5ccccc5nc4s3)c2)cs1 ZINC000226095835 568694188 /nfs/dbraw/zinc/69/41/88/568694188.db2.gz XQFMFQDISFOZQI-UHFFFAOYSA-N 0 0 401.516 6.134 40 0 HKABRN CCc1cc(Br)cc(CC)c1NC(=O)COc1cccc2cccnc21 ZINC000226095864 568694160 /nfs/dbraw/zinc/69/41/60/568694160.db2.gz HYRNGZIKTBAYGO-UHFFFAOYSA-N 0 0 413.315 5.140 40 0 HKABRN O=C(COc1cccc2cccnc21)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000226095927 568694033 /nfs/dbraw/zinc/69/40/33/568694033.db2.gz IUPZIYZZGBJEKB-UHFFFAOYSA-N 0 0 414.305 5.290 40 0 HKABRN CCc1cc(Br)cc(C)c1NC(=O)c1cc2cc(OC)ccc2nc1C ZINC000226095982 568694172 /nfs/dbraw/zinc/69/41/72/568694172.db2.gz VJXMVYQXAQKARS-UHFFFAOYSA-N 0 0 413.315 5.437 40 0 HKABRN COc1ccc(-c2ncc(C(=O)Nc3cccc(-c4csc(C)n4)c3)c(C)n2)cc1 ZINC000226096237 568694176 /nfs/dbraw/zinc/69/41/76/568694176.db2.gz KAKZFHUFXIPIQS-UHFFFAOYSA-N 0 0 416.506 5.145 40 0 HKABRN CCc1cc(Br)cc(CC)c1NC(=O)c1c(C)nc2ccc(C)cn21 ZINC000226096287 568694153 /nfs/dbraw/zinc/69/41/53/568694153.db2.gz RBCUBIAMHSGHNA-UHFFFAOYSA-N 0 0 400.320 5.091 40 0 HKABRN CCc1cc(Br)cc(CC)c1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000226096742 568694140 /nfs/dbraw/zinc/69/41/40/568694140.db2.gz APDYAMAZYAXMKQ-UHFFFAOYSA-N 0 0 400.238 5.845 40 0 HKABRN CNc1nc(-c2ccc(OC)c(NC(=O)c3cccc(C(F)(F)F)c3)c2)cs1 ZINC000226096781 568694195 /nfs/dbraw/zinc/69/41/95/568694195.db2.gz KJRGEDWQQKYFON-UHFFFAOYSA-N 0 0 407.417 5.132 40 0 HKABRN Cc1cc2[nH]c(-c3ccc(-c4nc5cc(Cl)c(C)cc5[nH]4)cc3)nc2cc1Cl ZINC000226237233 559273033 /nfs/dbraw/zinc/27/30/33/559273033.db2.gz SRHPOEKPNHMMBF-UHFFFAOYSA-N 0 0 407.304 6.697 40 0 HKABRN Cc1cc2[nH]c(-c3cccc(-c4nc5cc(Cl)c(C)cc5[nH]4)c3)nc2cc1Cl ZINC000226237294 559273029 /nfs/dbraw/zinc/27/30/29/559273029.db2.gz KVRWAWYUCGOOLA-UHFFFAOYSA-N 0 0 407.304 6.697 40 0 HKABRN Nc1c(Br)cc(-c2nc3ccc(F)cc3s2)cc1Br ZINC000226237704 559273011 /nfs/dbraw/zinc/27/30/11/559273011.db2.gz NOKDINNUYDTVTA-UHFFFAOYSA-N 0 0 402.086 5.210 40 0 HKABRN Clc1ccc(-c2ccc(CNc3cccc(Cl)c3N3CCOCC3)o2)cc1 ZINC000226240274 569278603 /nfs/dbraw/zinc/27/86/03/569278603.db2.gz PMOLOGDUHIMUSA-UHFFFAOYSA-N 0 0 403.309 5.702 40 0 HKABRN Clc1ccc(-c2ccc(CNc3cc(Cl)ccc3N3CCOCC3)o2)cc1 ZINC000226240298 569278723 /nfs/dbraw/zinc/27/87/23/569278723.db2.gz XAPYYWRLENKRIB-UHFFFAOYSA-N 0 0 403.309 5.702 40 0 HKABRN Brc1ccc(-c2ccc(CNc3ccccc3N3CCOCC3)o2)cc1 ZINC000226240321 569278630 /nfs/dbraw/zinc/27/86/30/569278630.db2.gz QRTZXWVLNULLEC-UHFFFAOYSA-N 0 0 413.315 5.158 40 0 HKABRN FC(F)(F)c1ccc(N2CCOCC2)c(NCc2ccc(Cl)cc2Cl)c1 ZINC000226240756 569278632 /nfs/dbraw/zinc/27/86/32/569278632.db2.gz BZRIXEGOHNVECB-UHFFFAOYSA-N 0 0 405.247 5.461 40 0 HKABRN Cc1cc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc(Br)c1O ZINC000226243087 569278605 /nfs/dbraw/zinc/27/86/05/569278605.db2.gz QNVPQFZNORMVSM-UHFFFAOYSA-N 0 0 412.283 5.148 40 0 HKABRN Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1O ZINC000226243218 569278598 /nfs/dbraw/zinc/27/85/98/569278598.db2.gz GUGNDSFYNGHZQR-SECBINFHSA-N 0 0 419.102 5.176 40 0 HKABRN Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1O ZINC000226243227 569278729 /nfs/dbraw/zinc/27/87/29/569278729.db2.gz GUGNDSFYNGHZQR-VIFPVBQESA-N 0 0 419.102 5.176 40 0 HKABRN Cc1cc(NC(=O)COc2c(C)cc(Cl)cc2Cl)cc(Br)c1O ZINC000226243309 569278812 /nfs/dbraw/zinc/27/88/12/569278812.db2.gz LYXUPAHTBGUKLZ-UHFFFAOYSA-N 0 0 419.102 5.096 40 0 HKABRN Cc1cc(NC(=O)c2cccc(OCc3ccccc3)c2)cc(Br)c1O ZINC000226243364 569278829 /nfs/dbraw/zinc/27/88/29/569278829.db2.gz UYYSKSKZJYHHJG-UHFFFAOYSA-N 0 0 412.283 5.294 40 0 HKABRN Cc1cc(NC(=O)c2ccc(COc3ccccc3)cc2)cc(Br)c1O ZINC000226243375 569278826 /nfs/dbraw/zinc/27/88/26/569278826.db2.gz ZEERNCVDGSRELW-UHFFFAOYSA-N 0 0 412.283 5.294 40 0 HKABRN Cc1cc(-n2cccc2)cc2nc(-c3cccc4c(Br)cccc34)oc21 ZINC000226246749 569278762 /nfs/dbraw/zinc/27/87/62/569278762.db2.gz GZGPTDKUOWMUPW-UHFFFAOYSA-N 0 0 403.279 6.510 40 0 HKABRN Cc1cc(-n2cccc2)cc2nc(-c3cccc(I)c3)oc21 ZINC000226247180 569278768 /nfs/dbraw/zinc/27/87/68/569278768.db2.gz URMCVEAANQHRHB-UHFFFAOYSA-N 0 0 400.219 5.199 40 0 HKABRN Cc1cc(-n2cccc2)cc2nc(-c3ccc(I)cc3)oc21 ZINC000226247214 569278763 /nfs/dbraw/zinc/27/87/63/569278763.db2.gz BQRQCZXACQBUKP-UHFFFAOYSA-N 0 0 400.219 5.199 40 0 HKABRN Clc1ccc(I)cc1-c1nc2cc(-n3cccc3)ccc2o1 ZINC000226248072 569278871 /nfs/dbraw/zinc/27/88/71/569278871.db2.gz HSJPIKVIFWYPDT-UHFFFAOYSA-N 0 0 420.637 5.544 40 0 HKABRN Cc1cc(-n2cccc2)cc2nc(-c3ccc(I)c(C)c3)oc21 ZINC000226248140 569278757 /nfs/dbraw/zinc/27/87/57/569278757.db2.gz BXJZPDAWULZNFV-UHFFFAOYSA-N 0 0 414.246 5.507 40 0 HKABRN Cc1cc(-c2nc3cc(-n4cccc4)ccc3o2)ccc1I ZINC000226248152 569278811 /nfs/dbraw/zinc/27/88/11/569278811.db2.gz VXQFNRVKWAFJNT-UHFFFAOYSA-N 0 0 400.219 5.199 40 0 HKABRN Cc1cc(-n2cccc2)cc2nc(-c3ccc(C)c(I)c3)oc21 ZINC000226248214 569278771 /nfs/dbraw/zinc/27/87/71/569278771.db2.gz CDEBEGDNAIUOHI-UHFFFAOYSA-N 0 0 414.246 5.507 40 0 HKABRN Cc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)cc1I ZINC000226248223 569278857 /nfs/dbraw/zinc/27/88/57/569278857.db2.gz DHYYSLOTZOCIBR-UHFFFAOYSA-N 0 0 400.219 5.199 40 0 HKABRN Cc1c(I)cccc1-c1nc2cc(-n3cccc3)ccc2o1 ZINC000226248394 569278758 /nfs/dbraw/zinc/27/87/58/569278758.db2.gz QZBUCSPXBPKMFW-UHFFFAOYSA-N 0 0 400.219 5.199 40 0 HKABRN Cc1cc(-n2cccc2)cc2nc(-c3cccc(I)c3C)oc21 ZINC000226248404 569278759 /nfs/dbraw/zinc/27/87/59/569278759.db2.gz NEYWSLRWGNEABB-UHFFFAOYSA-N 0 0 414.246 5.507 40 0 HKABRN Clc1cc2nc(CCc3nc4cc(Cl)cc(Cl)c4o3)oc2c(Cl)c1 ZINC000226248801 559273042 /nfs/dbraw/zinc/27/30/42/559273042.db2.gz LHPQELZSXFYSKE-UHFFFAOYSA-N 0 0 402.064 6.368 40 0 HKABRN c1ccc(-c2ccc3oc(CCc4nc5cc(-c6ccccc6)ccc5o4)nc3c2)cc1 ZINC000226248809 559273014 /nfs/dbraw/zinc/27/30/14/559273014.db2.gz GZEQAOBJYXEWOC-UHFFFAOYSA-N 0 0 416.480 7.088 40 0 HKABRN Clc1cc2nc(CCCc3nc4cc(Cl)cc(Cl)c4o3)oc2c(Cl)c1 ZINC000226248925 559273054 /nfs/dbraw/zinc/27/30/54/559273054.db2.gz NVMINZRDGOVPNB-UHFFFAOYSA-N 0 0 416.091 6.758 40 0 HKABRN Cc1ccc(-c2nnc3sc(C4=CCN(Cc5ccccc5Cl)CC4)nn32)cc1 ZINC000226250630 569278821 /nfs/dbraw/zinc/27/88/21/569278821.db2.gz GCTYCNOXZAVBAA-UHFFFAOYSA-N 0 0 421.957 5.104 40 0 HKABRN Cc1ccccc1-c1nnc2sc(C3=CCN(Cc4ccccc4Cl)CC3)nn21 ZINC000226250663 569278837 /nfs/dbraw/zinc/27/88/37/569278837.db2.gz CUIIKIQEBLZFAA-UHFFFAOYSA-N 0 0 421.957 5.104 40 0 HKABRN Cc1cccc(-c2nnc3sc(C4=CCN(Cc5ccccc5Cl)CC4)nn32)c1 ZINC000226250681 569278798 /nfs/dbraw/zinc/27/87/98/569278798.db2.gz WABVLFKMSCVVBF-UHFFFAOYSA-N 0 0 421.957 5.104 40 0 HKABRN Clc1ccccc1CN1CC=C(c2nc3cc(Br)ccc3o2)CC1 ZINC000226251082 569278833 /nfs/dbraw/zinc/27/88/33/569278833.db2.gz CGADDZYUEMJXNN-UHFFFAOYSA-N 0 0 403.707 5.533 40 0 HKABRN Clc1ccc(CN2CC=C(c3nc4cc(Br)ccc4o3)CC2)cc1 ZINC000226251105 569278745 /nfs/dbraw/zinc/27/87/45/569278745.db2.gz QLTMWYNFQUVLSE-UHFFFAOYSA-N 0 0 403.707 5.533 40 0 HKABRN Clc1ccc(CN2CC=C(c3nc4cc(-c5ccccc5)ccc4o3)CC2)cc1 ZINC000226251309 569278844 /nfs/dbraw/zinc/27/88/44/569278844.db2.gz CJCIYQFVUMZHRN-UHFFFAOYSA-N 0 0 400.909 6.438 40 0 HKABRN COc1c(Cl)cc(C(=O)Nc2cc(N)ccc2N2CCC(C)CC2)cc1Cl ZINC000226261874 569278703 /nfs/dbraw/zinc/27/87/03/569278703.db2.gz FRZHZENCNPQRTJ-UHFFFAOYSA-N 0 0 408.329 5.073 40 0 HKABRN COc1c(Cl)cc(C(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)cc1Cl ZINC000226261888 569278685 /nfs/dbraw/zinc/27/86/85/569278685.db2.gz GGWSFSNDYOGMFG-LBPRGKRZSA-N 0 0 408.329 5.215 40 0 HKABRN COc1c(Cl)cc(C(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1Cl ZINC000226261893 569278713 /nfs/dbraw/zinc/27/87/13/569278713.db2.gz GGWSFSNDYOGMFG-GFCCVEGCSA-N 0 0 408.329 5.215 40 0 HKABRN COc1c(Cl)cc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)cc1Cl ZINC000226268732 569278952 /nfs/dbraw/zinc/27/89/52/569278952.db2.gz BVYLECSWOADGBE-LBPRGKRZSA-N 0 0 408.329 5.215 40 0 HKABRN COc1c(Cl)cc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)cc1Cl ZINC000226268742 569278961 /nfs/dbraw/zinc/27/89/61/569278961.db2.gz BVYLECSWOADGBE-GFCCVEGCSA-N 0 0 408.329 5.215 40 0 HKABRN COc1c(Cl)cc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)cc1Cl ZINC000226268754 569278932 /nfs/dbraw/zinc/27/89/32/569278932.db2.gz WWDFUJLVRMUMCC-UHFFFAOYSA-N 0 0 408.329 5.073 40 0 HKABRN CN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000226269264 569278928 /nfs/dbraw/zinc/27/89/28/569278928.db2.gz GDZDADILHIVSRF-UHFFFAOYSA-N 0 0 404.775 5.827 40 0 HKABRN Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3cccc4c(Cl)cccc34)oc21 ZINC000226269486 569279080 /nfs/dbraw/zinc/27/90/80/569279080.db2.gz ZLYZEAVDUGYKEF-UHFFFAOYSA-N 0 0 404.775 6.111 40 0 HKABRN Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3cccc4c(Cl)cccc34)oc21 ZINC000226269568 569279035 /nfs/dbraw/zinc/27/90/35/569279035.db2.gz CINFTXVYCRNYAV-UHFFFAOYSA-N 0 0 418.802 6.135 40 0 HKABRN Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3ccc(-c4ccccc4)cc3)oc21 ZINC000226269662 569279044 /nfs/dbraw/zinc/27/90/44/569279044.db2.gz QQIQVTNTOMQTJN-UHFFFAOYSA-N 0 0 410.395 5.995 40 0 HKABRN CN(C(=O)C(F)(F)F)c1ccc2nc(-c3cccc4c(Cl)cccc34)oc2c1 ZINC000226269833 569279039 /nfs/dbraw/zinc/27/90/39/569279039.db2.gz DTVWXUVDEXQUNI-UHFFFAOYSA-N 0 0 404.775 5.827 40 0 HKABRN Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3ccc(Br)cc3)oc21 ZINC000226270521 569279034 /nfs/dbraw/zinc/27/90/34/569279034.db2.gz OYFLQFYBBLVZJT-UHFFFAOYSA-N 0 0 413.193 5.091 40 0 HKABRN Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3cccc(Br)c3)oc21 ZINC000226270583 569279064 /nfs/dbraw/zinc/27/90/64/569279064.db2.gz XUFAKPNJMUZFQW-UHFFFAOYSA-N 0 0 413.193 5.091 40 0 HKABRN Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3ccccc3Br)oc21 ZINC000226270594 569279047 /nfs/dbraw/zinc/27/90/47/569279047.db2.gz VCOQZGFVZJDOPQ-UHFFFAOYSA-N 0 0 413.193 5.091 40 0 HKABRN Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3ccc(Cl)cc3Cl)oc21 ZINC000226271364 569279063 /nfs/dbraw/zinc/27/90/63/569279063.db2.gz MSLMYYYGQKGBSC-UHFFFAOYSA-N 0 0 403.187 5.635 40 0 HKABRN Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3ccc(Cl)c(Cl)c3)oc21 ZINC000226271399 569279079 /nfs/dbraw/zinc/27/90/79/569279079.db2.gz PFCVLNCARGAGGS-UHFFFAOYSA-N 0 0 403.187 5.635 40 0 HKABRN Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3cc(Cl)ccc3Cl)oc21 ZINC000226271411 569279066 /nfs/dbraw/zinc/27/90/66/569279066.db2.gz WEHVLGDFEXKJAL-UHFFFAOYSA-N 0 0 403.187 5.635 40 0 HKABRN COc1c(Cl)cc(-c2nc3ccc(N(C)C(=O)C(F)(F)F)cc3o2)cc1Cl ZINC000226271919 569279031 /nfs/dbraw/zinc/27/90/31/569279031.db2.gz JYCLIGCWHQIUDU-UHFFFAOYSA-N 0 0 419.186 5.335 40 0 HKABRN COc1c(Cl)cc(-c2nc3ccc(NC(=O)C(F)(F)F)cc3o2)cc1Cl ZINC000226271929 569279059 /nfs/dbraw/zinc/27/90/59/569279059.db2.gz JMIDDSDWLQRVKY-UHFFFAOYSA-N 0 0 405.159 5.311 40 0 HKABRN COc1c(Cl)cc(-c2nc3cc(NC(=O)C(F)(F)F)cc(C)c3o2)cc1Cl ZINC000226272103 569279046 /nfs/dbraw/zinc/27/90/46/569279046.db2.gz QFNCXYOFACXPDI-UHFFFAOYSA-N 0 0 419.186 5.619 40 0 HKABRN COc1c(Cl)cc(-c2nc3cc(N(C)C(=O)C(F)(F)F)ccc3o2)cc1Cl ZINC000226272121 569279050 /nfs/dbraw/zinc/27/90/50/569279050.db2.gz PZSJOVVRMAPXOH-UHFFFAOYSA-N 0 0 419.186 5.335 40 0 HKABRN COc1c(Cl)cc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)cc1Cl ZINC000226272130 569279062 /nfs/dbraw/zinc/27/90/62/569279062.db2.gz RSCGIZOJMVIRHX-UHFFFAOYSA-N 0 0 405.159 5.311 40 0 HKABRN CCN(C(=O)C(F)(F)F)c1cc2nc(-c3ccc(C(C)(C)C)cc3)oc2c(C)c1 ZINC000226282038 569279078 /nfs/dbraw/zinc/27/90/78/569279078.db2.gz XBJAAWWBSHGYAM-UHFFFAOYSA-N 0 0 404.432 6.016 40 0 HKABRN CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000226282106 569279068 /nfs/dbraw/zinc/27/90/68/569279068.db2.gz LDXJXSXYZGDJBM-UHFFFAOYSA-N 0 0 410.395 6.077 40 0 HKABRN CCN(C(=O)C(F)(F)F)c1cc2nc(-c3ccc(-c4ccccc4)cc3)oc2c(C)c1 ZINC000226282118 569279075 /nfs/dbraw/zinc/27/90/75/569279075.db2.gz FZAUQDWOJUWEDB-UHFFFAOYSA-N 0 0 424.422 6.385 40 0 HKABRN CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000226282145 569279057 /nfs/dbraw/zinc/27/90/57/569279057.db2.gz RCKAKWQASHYDER-UHFFFAOYSA-N 0 0 418.802 6.217 40 0 HKABRN CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000226282461 569279041 /nfs/dbraw/zinc/27/90/41/569279041.db2.gz NFFCWTOIXGQFCU-UHFFFAOYSA-N 0 0 413.193 5.173 40 0 HKABRN CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000226282470 569279060 /nfs/dbraw/zinc/27/90/60/569279060.db2.gz UKVYZXGNOWNITP-UHFFFAOYSA-N 0 0 413.193 5.173 40 0 HKABRN CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc(Br)cc3)nc2c1 ZINC000226282808 569279038 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CCN(C(=O)C(F)(F)F)c1cc2nc(-c3cc(Cl)ccc3Cl)oc2c(C)c1 ZINC000226282965 569279058 /nfs/dbraw/zinc/27/90/58/569279058.db2.gz MAOYAAHCOLSTJI-UHFFFAOYSA-N 0 0 417.214 6.025 40 0 HKABRN CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccccc3Br)oc2c1 ZINC000226283876 569279175 /nfs/dbraw/zinc/27/91/75/569279175.db2.gz KAOXCTODWQTWFE-UHFFFAOYSA-N 0 0 413.193 5.173 40 0 HKABRN CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3cccc(Br)c3)oc2c1 ZINC000226283884 569279163 /nfs/dbraw/zinc/27/91/63/569279163.db2.gz ZWCDWCNRCNJUAX-UHFFFAOYSA-N 0 0 413.193 5.173 40 0 HKABRN CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccc(Br)cc3)oc2c1 ZINC000226283924 569279160 /nfs/dbraw/zinc/27/91/60/569279160.db2.gz DMTUEGLJAODZRP-UHFFFAOYSA-N 0 0 413.193 5.173 40 0 HKABRN CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccc(-c4ccccc4)cc3)oc2c1 ZINC000226284007 569279186 /nfs/dbraw/zinc/27/91/86/569279186.db2.gz IDGDCQMVXHEUSX-UHFFFAOYSA-N 0 0 410.395 6.077 40 0 HKABRN CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3cccc4c(Cl)cccc34)oc2c1 ZINC000226284025 569279171 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Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3ccc(-c4ccccc4)cc3)oc21 ZINC000226286277 569279192 /nfs/dbraw/zinc/27/91/92/569279192.db2.gz TYMNTTHZNSDRIA-UHFFFAOYSA-N 0 0 416.480 6.631 40 0 HKABRN Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3ccccc3Br)oc21 ZINC000226286324 569279173 /nfs/dbraw/zinc/27/91/73/569279173.db2.gz JYUFTNFNLFZJTG-UHFFFAOYSA-N 0 0 419.278 5.726 40 0 HKABRN O=C1c2ccccc2CN1c1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000226286333 569279157 /nfs/dbraw/zinc/27/91/57/569279157.db2.gz NFIIQSQRBQLQHN-UHFFFAOYSA-N 0 0 405.251 5.418 40 0 HKABRN O=C1c2ccccc2CN1c1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000226286346 569279179 /nfs/dbraw/zinc/27/91/79/569279179.db2.gz BCPIPDDWQHPKFJ-UHFFFAOYSA-N 0 0 405.251 5.418 40 0 HKABRN Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3cccc(Br)c3)oc21 ZINC000226286356 569279193 /nfs/dbraw/zinc/27/91/93/569279193.db2.gz LWFKLQKZTNQCLI-UHFFFAOYSA-N 0 0 419.278 5.726 40 0 HKABRN Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3ccc(Br)cc3)oc21 ZINC000226286444 569279164 /nfs/dbraw/zinc/27/91/64/569279164.db2.gz OMHLTHPTYJBBFO-UHFFFAOYSA-N 0 0 419.278 5.726 40 0 HKABRN O=C1c2ccccc2CN1c1ccc2oc(-c3ccc(Br)cc3)nc2c1 ZINC000226286455 569279178 /nfs/dbraw/zinc/27/91/78/569279178.db2.gz GKADVVWTSGQTGK-UHFFFAOYSA-N 0 0 405.251 5.418 40 0 HKABRN Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3ccc(Cl)c(Cl)c3)oc21 ZINC000226286494 569279177 /nfs/dbraw/zinc/27/91/77/569279177.db2.gz WKZGDQCGFGEGDE-UHFFFAOYSA-N 0 0 409.272 6.270 40 0 HKABRN Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3ccc(Cl)cc3Cl)oc21 ZINC000226286503 569279203 /nfs/dbraw/zinc/27/92/03/569279203.db2.gz SFLQNKDYJHXLPQ-UHFFFAOYSA-N 0 0 409.272 6.270 40 0 HKABRN Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3cc(Cl)ccc3Cl)oc21 ZINC000226286553 569279184 /nfs/dbraw/zinc/27/91/84/569279184.db2.gz VIAGXIYJCWTXKP-UHFFFAOYSA-N 0 0 409.272 6.270 40 0 HKABRN O=C1c2ccccc2CN1c1ccc2nc(-c3ccc(-c4ccccc4)cc3)oc2c1 ZINC000226286897 569279172 /nfs/dbraw/zinc/27/91/72/569279172.db2.gz VEKYBPXRZNLIPS-UHFFFAOYSA-N 0 0 402.453 6.322 40 0 HKABRN O=C1c2ccccc2CN1c1ccc2nc(-c3cccc4c(Cl)cccc34)oc2c1 ZINC000226286951 569279198 /nfs/dbraw/zinc/27/91/98/569279198.db2.gz FDURJNQCXQILOR-UHFFFAOYSA-N 0 0 410.860 6.462 40 0 HKABRN O=C1c2ccccc2CN1c1ccc2nc(-c3ccccc3Br)oc2c1 ZINC000226286973 569279185 /nfs/dbraw/zinc/27/91/85/569279185.db2.gz FQQCKCIBBHGAQR-UHFFFAOYSA-N 0 0 405.251 5.418 40 0 HKABRN O=C1c2ccccc2CN1c1ccc2nc(-c3cccc(Br)c3)oc2c1 ZINC000226287005 569279204 /nfs/dbraw/zinc/27/92/04/569279204.db2.gz DBFAYCNIZZALPX-UHFFFAOYSA-N 0 0 405.251 5.418 40 0 HKABRN O=C1c2ccccc2CN1c1ccc2nc(-c3ccc(Br)cc3)oc2c1 ZINC000226287036 569279170 /nfs/dbraw/zinc/27/91/70/569279170.db2.gz KMCPXECYASQLJG-UHFFFAOYSA-N 0 0 405.251 5.418 40 0 HKABRN O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl)c1cc2ccccc2o1 ZINC000226287629 569279197 /nfs/dbraw/zinc/27/91/97/569279197.db2.gz FVIOLWJATOEYOA-UHFFFAOYSA-N 0 0 402.837 5.499 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3Cc4ccccc4C3=O)cc2Cl)cc1 ZINC000226287817 569279183 /nfs/dbraw/zinc/27/91/83/569279183.db2.gz CUZVHTXAEDEHTA-UHFFFAOYSA-N 0 0 418.924 6.050 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(N3Cc4ccccc4C3=O)cc2Br)cc1 ZINC000226287836 569279159 /nfs/dbraw/zinc/27/91/59/569279159.db2.gz PGKMTIVDIRWJLC-UHFFFAOYSA-N 0 0 421.294 5.170 40 0 HKABRN Cc1cccc(C(=O)Nc2ccc(N3Cc4ccccc4C3=O)cc2Br)c1 ZINC000226287857 569279158 /nfs/dbraw/zinc/27/91/58/569279158.db2.gz SJAIFFRMTCBTPY-UHFFFAOYSA-N 0 0 421.294 5.170 40 0 HKABRN Cc1ccccc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1Br ZINC000226287864 569279188 /nfs/dbraw/zinc/27/91/88/569279188.db2.gz ZNHIMTOQOTXFHS-UHFFFAOYSA-N 0 0 421.294 5.170 40 0 HKABRN Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccccc1Br ZINC000226287936 569279161 /nfs/dbraw/zinc/27/91/61/569279161.db2.gz JIUKOJINFDTJJC-UHFFFAOYSA-N 0 0 421.294 5.170 40 0 HKABRN Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccc(Br)cc1 ZINC000226287989 569279200 /nfs/dbraw/zinc/27/92/00/569279200.db2.gz MOARDIJDBQJVDB-UHFFFAOYSA-N 0 0 421.294 5.170 40 0 HKABRN Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1cccc(Br)c1 ZINC000226288000 569279187 /nfs/dbraw/zinc/27/91/87/569279187.db2.gz FKSPMJRTKGBEGU-UHFFFAOYSA-N 0 0 421.294 5.170 40 0 HKABRN COc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000226288112 569279168 /nfs/dbraw/zinc/27/91/68/569279168.db2.gz OVZHCIAZRPDJRI-UHFFFAOYSA-N 0 0 414.505 5.405 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 ZINC000226295484 568694718 /nfs/dbraw/zinc/69/47/18/568694718.db2.gz JWMCNGZAHWTGLW-SRSDBTLWSA-N 0 0 412.508 6.375 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 ZINC000226295488 568694628 /nfs/dbraw/zinc/69/46/28/568694628.db2.gz JWMCNGZAHWTGLW-HPPHSEJCSA-N 0 0 412.508 6.375 40 0 HKABRN Brc1cccc2c(-c3nn4c(Cc5ccccc5)nnc4s3)cccc12 ZINC000226300142 559273125 /nfs/dbraw/zinc/27/31/25/559273125.db2.gz VIYGFFRZKIMSOV-UHFFFAOYSA-N 0 0 421.323 5.359 40 0 HKABRN Clc1ccc(Cc2nnc3sc(-c4cccc5c(Cl)cccc45)nn23)cc1 ZINC000226300166 559273104 /nfs/dbraw/zinc/27/31/04/559273104.db2.gz UJSMYMSTULOQEA-UHFFFAOYSA-N 0 0 411.317 5.904 40 0 HKABRN Clc1ccc(Cc2nnc3sc(-c4ccc(-c5ccccc5)cc4)nn23)cc1 ZINC000226300201 559273108 /nfs/dbraw/zinc/27/31/08/559273108.db2.gz RQMQQWPEBABQAR-UHFFFAOYSA-N 0 0 402.910 5.764 40 0 HKABRN Clc1ccc(I)cc1-c1nc2c(ccc3ccccc23)o1 ZINC000226300335 559273110 /nfs/dbraw/zinc/27/31/10/559273110.db2.gz BPOFGANOLNVHSI-UHFFFAOYSA-N 0 0 405.622 5.906 40 0 HKABRN CCOC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000226318524 559273249 /nfs/dbraw/zinc/27/32/49/559273249.db2.gz UZANGZCOAKIRLO-UHFFFAOYSA-N 0 0 404.087 5.512 40 0 HKABRN C(=C1/c2ccccc2[C@@H]2[C@@H]1O[C@@H]1/C(=C\c3ccccc3)c3ccccc3[C@H]21)\c1ccccc1 ZINC000226323513 568694800 /nfs/dbraw/zinc/69/48/00/568694800.db2.gz QTCLDESTKURNLW-GDMVZSBMSA-N 0 0 424.543 7.430 40 0 HKABRN C(=C1\c2ccccc2[C@@H]2[C@@H]1O[C@@H]1/C(=C\c3ccccc3)c3ccccc3[C@H]21)\c1ccccc1 ZINC000226323521 568695010 /nfs/dbraw/zinc/69/50/10/568695010.db2.gz QTCLDESTKURNLW-ANAHQKRDSA-N 0 0 424.543 7.430 40 0 HKABRN CCN(CC)c1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1Br ZINC000226332165 559273266 /nfs/dbraw/zinc/27/32/66/559273266.db2.gz DLYJYNHFJZNQGT-UHFFFAOYSA-N 0 0 421.338 6.771 40 0 HKABRN CC(=O)[C@H](C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(c1ccccc1)c1ccccc1 ZINC000226338255 568694972 /nfs/dbraw/zinc/69/49/72/568694972.db2.gz PBSTWIYTCPQRBP-KTEAYJLESA-N 0 0 406.566 6.028 40 0 HKABRN O=Cc1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 ZINC000226339513 559273355 /nfs/dbraw/zinc/27/33/55/559273355.db2.gz WJCSDTBOABLBNM-UHFFFAOYSA-N 0 0 404.485 5.257 40 0 HKABRN NC(=O)c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000226339741 559273376 /nfs/dbraw/zinc/27/33/76/559273376.db2.gz HWTDIMFAPPOGAJ-UHFFFAOYSA-N 0 0 409.494 5.087 40 0 HKABRN NC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000226339763 559273334 /nfs/dbraw/zinc/27/33/34/559273334.db2.gz OZKGIJNJINDPSJ-UHFFFAOYSA-N 0 0 409.494 5.087 40 0 HKABRN Cc1cc2[nH]c(-c3ccc(Cc4ccc(Cl)cc4)cc3)nc2c(Br)c1 ZINC000226342549 559273674 /nfs/dbraw/zinc/27/36/74/559273674.db2.gz TZIILKLAKXEYEY-UHFFFAOYSA-N 0 0 411.730 6.545 40 0 HKABRN CC(C)(C)c1ccc(-c2nc3c(cc(Br)cc3Br)[nH]2)cc1 ZINC000226342738 559273726 /nfs/dbraw/zinc/27/37/26/559273726.db2.gz DHUIVCDYQWURAZ-UHFFFAOYSA-N 0 0 408.137 6.052 40 0 HKABRN Clc1cc2[nH]c(Cc3ccc(Br)cc3)nc2c(Br)c1 ZINC000226342862 559273358 /nfs/dbraw/zinc/27/33/58/559273358.db2.gz UHWWTFKFMCEKBL-UHFFFAOYSA-N 0 0 400.501 5.332 40 0 HKABRN Clc1ccc(Cc2nc3c(cc(Br)cc3Br)[nH]2)cc1 ZINC000226342894 559273309 /nfs/dbraw/zinc/27/33/09/559273309.db2.gz FQISOQMGWAUPOD-UHFFFAOYSA-N 0 0 400.501 5.332 40 0 HKABRN Clc1cc(Br)cc2[nH]c(Cc3ccc(Br)cc3)nc21 ZINC000226342910 559273368 /nfs/dbraw/zinc/27/33/68/559273368.db2.gz CGYXMMNFXBHVQA-UHFFFAOYSA-N 0 0 400.501 5.332 40 0 HKABRN Brc1cc2[nH]c(-c3cccc4ccccc43)nc2c(Br)c1 ZINC000226342925 559273294 /nfs/dbraw/zinc/27/32/94/559273294.db2.gz BBBXUKBQCRAMRM-UHFFFAOYSA-N 0 0 402.089 5.908 40 0 HKABRN Clc1ccc(-c2nc3c(cc(Br)cc3Br)[nH]2)c(Cl)c1 ZINC000226343318 559273361 /nfs/dbraw/zinc/27/33/61/559273361.db2.gz MIEAESKNPMTTFT-UHFFFAOYSA-N 0 0 420.919 6.062 40 0 HKABRN Clc1ccc(-c2nc3c(cc(Br)cc3Br)[nH]2)cc1Cl ZINC000226343345 559273330 /nfs/dbraw/zinc/27/33/30/559273330.db2.gz CJLJSBKVMDKOFH-UHFFFAOYSA-N 0 0 420.919 6.062 40 0 HKABRN Clc1ccc(Cl)c(-c2nc3c(cc(Br)cc3Br)[nH]2)c1 ZINC000226343374 559273301 /nfs/dbraw/zinc/27/33/01/559273301.db2.gz WHFBSKFQONTODG-UHFFFAOYSA-N 0 0 420.919 6.062 40 0 HKABRN Cc1ccc(-c2nc3c(cc(Br)cc3Br)[nH]2)cc1Cl ZINC000226343415 559273346 /nfs/dbraw/zinc/27/33/46/559273346.db2.gz YVPOORLCZKFRLU-UHFFFAOYSA-N 0 0 400.501 5.717 40 0 HKABRN COc1ccc(-c2nc3c(cc(Cl)cc3Br)[nH]2)cc1Br ZINC000226343516 559273349 /nfs/dbraw/zinc/27/33/49/559273349.db2.gz VMKWNALKVNFFLV-UHFFFAOYSA-N 0 0 416.500 5.417 40 0 HKABRN COc1ccc(-c2nc3c(cc(Br)cc3Br)[nH]2)cc1Cl ZINC000226343600 559273322 /nfs/dbraw/zinc/27/33/22/559273322.db2.gz ZRMMTQUKYSHUIL-UHFFFAOYSA-N 0 0 416.500 5.417 40 0 HKABRN COc1ccc(-c2nc3c(cc(Br)cc3Cl)[nH]2)cc1Br ZINC000226343612 559273460 /nfs/dbraw/zinc/27/34/60/559273460.db2.gz ALOFZKCLMWWQAB-UHFFFAOYSA-N 0 0 416.500 5.417 40 0 HKABRN CCOC(=O)c1cc2nc(-c3ccc(Cl)cc3Cl)[nH]c2c(Br)c1 ZINC000226344716 559273451 /nfs/dbraw/zinc/27/34/51/559273451.db2.gz DKFCJYQWXPCLKD-UHFFFAOYSA-N 0 0 414.086 5.476 40 0 HKABRN COC(=O)c1cc2nc(-c3ccc(Cl)cc3Cl)[nH]c2c(Br)c1 ZINC000226344727 559273453 /nfs/dbraw/zinc/27/34/53/559273453.db2.gz OUBVUAAACJVQNT-UHFFFAOYSA-N 0 0 400.059 5.086 40 0 HKABRN CCOC(=O)c1cc2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c(Br)c1 ZINC000226344867 559273458 /nfs/dbraw/zinc/27/34/58/559273458.db2.gz WATNRSVTYADXNU-UHFFFAOYSA-N 0 0 414.086 5.476 40 0 HKABRN COC(=O)c1cc2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c(Br)c1 ZINC000226344877 559273476 /nfs/dbraw/zinc/27/34/76/559273476.db2.gz DFLVQDGCPCQZNV-UHFFFAOYSA-N 0 0 400.059 5.086 40 0 HKABRN O=Cc1cn(C(=O)c2ccc(-c3ccc(Br)cc3F)o2)c2ccccc12 ZINC000226769306 559273972 /nfs/dbraw/zinc/27/39/72/559273972.db2.gz GGMBLDDZEPUGRA-UHFFFAOYSA-N 0 0 412.214 5.304 40 0 HKABRN O=Cc1cn(C(=O)c2ccc(-c3ccc(F)cc3Br)o2)c2ccccc12 ZINC000226769572 559273953 /nfs/dbraw/zinc/27/39/53/559273953.db2.gz FRHVAKSFHOYINF-UHFFFAOYSA-N 0 0 412.214 5.304 40 0 HKABRN O=S(=O)(Oc1cc(Cl)ccc1Cl)c1cc(Cl)c(Cl)cc1Cl ZINC000226855900 559274115 /nfs/dbraw/zinc/27/41/15/559274115.db2.gz YZAXEJWDRRHOLW-UHFFFAOYSA-N 0 0 406.501 5.721 40 0 HKABRN CCCCCCOc1ccc(OS(=O)(=O)c2ccc3c4c(cccc42)CC3)cc1 ZINC000226861684 559274162 /nfs/dbraw/zinc/27/41/62/559274162.db2.gz VUZBZUVVHHGEIE-UHFFFAOYSA-N 0 0 410.535 5.665 40 0 HKABRN O=S(=O)(Oc1ccc2oc3ccccc3c2c1)c1ccc2c3c(cccc31)CC2 ZINC000226861872 559274234 /nfs/dbraw/zinc/27/42/34/559274234.db2.gz ADRNXVFNXUAMAM-UHFFFAOYSA-N 0 0 400.455 5.606 40 0 HKABRN O=S(=O)(c1ccc2c3c(cccc31)CC2)N(Cc1ccccc1)Cc1ccccc1 ZINC000226862025 559274200 /nfs/dbraw/zinc/27/42/00/559274200.db2.gz RWFZMIMIPINYHR-UHFFFAOYSA-N 0 0 413.542 5.330 40 0 HKABRN O=C1CCC[C@@]2(C1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccs3)=NN12 ZINC000227054502 568827782 /nfs/dbraw/zinc/82/77/82/568827782.db2.gz JQRLXQZOWNBHDG-LPHOPBHVSA-N 0 0 417.328 5.376 40 0 HKABRN O=C1CCC[C@@]2(C1)Oc1ccc(Br)cc1[C@H]1CC(c3cccs3)=NN12 ZINC000227054509 568827785 /nfs/dbraw/zinc/82/77/85/568827785.db2.gz JQRLXQZOWNBHDG-APWZRJJASA-N 0 0 417.328 5.376 40 0 HKABRN Cc1nc2ccccn2c1-c1nnc2sc(-c3cccc4c(Cl)cccc34)nn21 ZINC000227143199 568827959 /nfs/dbraw/zinc/82/79/59/568827959.db2.gz KQAQVCJFDQDRFF-UHFFFAOYSA-N 0 0 416.897 5.283 40 0 HKABRN Cc1nc2ccccn2c1-c1nnc2sc(-c3ccc(-c4ccccc4)cc3)nn21 ZINC000227143207 568827984 /nfs/dbraw/zinc/82/79/84/568827984.db2.gz MXONJZYPNMBOFB-UHFFFAOYSA-N 0 0 408.490 5.143 40 0 HKABRN Cc1nc2ccccn2c1-c1nnc2sc(Cc3ccc(-c4ccccc4)cc3)nn21 ZINC000227143312 568828010 /nfs/dbraw/zinc/82/80/10/568828010.db2.gz GXMOCHUVPUPFRS-UHFFFAOYSA-N 0 0 422.517 5.067 40 0 HKABRN Cc1nc2ccccn2c1-c1nnc2sc([C@@H](C)c3ccc(CC(C)C)cc3)nn21 ZINC000227143341 568827964 /nfs/dbraw/zinc/82/79/64/568827964.db2.gz OIWUTTJWOTXZDX-HNNXBMFYSA-N 0 0 416.554 5.159 40 0 HKABRN Cc1nc2ccccn2c1-c1nnc2sc([C@H](C)c3ccc(CC(C)C)cc3)nn21 ZINC000227143349 559274205 /nfs/dbraw/zinc/27/42/05/559274205.db2.gz OIWUTTJWOTXZDX-OAHLLOKOSA-N 0 0 416.554 5.159 40 0 HKABRN Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c(Br)c1 ZINC000227148006 559274207 /nfs/dbraw/zinc/27/42/07/559274207.db2.gz HWFPPMPUFZWNET-JXMROGBWSA-N 0 0 417.690 5.597 40 0 HKABRN Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Br)o2)c(Cl)c1 ZINC000227148054 559274203 /nfs/dbraw/zinc/27/42/03/559274203.db2.gz BWJRCRGBXBTNMZ-JXMROGBWSA-N 0 0 417.690 5.597 40 0 HKABRN Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3F)o2)c(Br)c1 ZINC000227148069 559274187 /nfs/dbraw/zinc/27/41/87/559274187.db2.gz TWATVWZYIVOZSN-JXMROGBWSA-N 0 0 401.235 5.082 40 0 HKABRN Nc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3)o2)c(Br)c1 ZINC000227148105 559274164 /nfs/dbraw/zinc/27/41/64/559274164.db2.gz CNIXYWLNXHMTLR-RMKNXTFCSA-N 0 0 417.690 5.597 40 0 HKABRN Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)c(Br)c1 ZINC000227148110 559274240 /nfs/dbraw/zinc/27/42/40/559274240.db2.gz NAGDOCYBNFGACY-JXMROGBWSA-N 0 0 401.235 5.082 40 0 HKABRN Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c(Br)c1 ZINC000227148144 559274215 /nfs/dbraw/zinc/27/42/15/559274215.db2.gz GCSGYUGDYJIFQV-JXMROGBWSA-N 0 0 417.690 5.597 40 0 HKABRN Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)c(Cl)c1 ZINC000227148163 559274192 /nfs/dbraw/zinc/27/41/92/559274192.db2.gz WWRLFGKBBWPJAN-JXMROGBWSA-N 0 0 417.690 5.597 40 0 HKABRN Nc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(Cl)c1 ZINC000227148182 559274179 /nfs/dbraw/zinc/27/41/79/559274179.db2.gz MZHGWLULDSFOMQ-RMKNXTFCSA-N 0 0 407.684 6.141 40 0 HKABRN Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(Cl)c1 ZINC000227148212 559274238 /nfs/dbraw/zinc/27/42/38/559274238.db2.gz IOIFYNYWSUFIQC-XBXARRHUSA-N 0 0 407.684 6.141 40 0 HKABRN Nc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(Cl)c1 ZINC000227148244 559274213 /nfs/dbraw/zinc/27/42/13/559274213.db2.gz FOAQLTOTTHTODZ-XBXARRHUSA-N 0 0 407.684 6.141 40 0 HKABRN Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(Cl)c1 ZINC000227148272 559274303 /nfs/dbraw/zinc/27/43/03/559274303.db2.gz WCLSPUFOFXAPMZ-XBXARRHUSA-N 0 0 407.684 6.141 40 0 HKABRN COc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N)cc3Cl)o2)cc1Cl ZINC000227148324 559274312 /nfs/dbraw/zinc/27/43/12/559274312.db2.gz GNCMNHHEAPAKJP-WEVVVXLNSA-N 0 0 403.265 5.496 40 0 HKABRN Nc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(Cl)c1 ZINC000227148378 559274324 /nfs/dbraw/zinc/27/43/24/559274324.db2.gz OEKJCQCNCUIXHX-ZZXKWVIFSA-N 0 0 407.684 6.141 40 0 HKABRN Cc1ccnc(N(C(=O)OC(C)(C)C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000228949766 569284385 /nfs/dbraw/zinc/28/43/85/569284385.db2.gz VPIQNFOOGASHET-UHFFFAOYSA-N 0 0 420.353 6.501 40 0 HKABRN Cc1ccnc(N(C(=O)OC(C)(C)C)c2cc(C(F)(F)F)ccc2C(F)(F)F)c1 ZINC000228952265 569284366 /nfs/dbraw/zinc/28/43/66/569284366.db2.gz QENKKDNEFJGEOE-UHFFFAOYSA-N 0 0 420.353 6.501 40 0 HKABRN CC(C)(C)c1ccc2oc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 ZINC000228954695 569284381 /nfs/dbraw/zinc/28/43/81/569284381.db2.gz GEANOBNWKXXOPA-UHFFFAOYSA-N 0 0 401.350 6.754 40 0 HKABRN Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccccc2I)c1 ZINC000228966523 569284504 /nfs/dbraw/zinc/28/45/04/569284504.db2.gz IKXMRRGBTQERFG-UHFFFAOYSA-N 0 0 410.255 5.068 40 0 HKABRN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H](c2ccccc2)CC[C@H]3c2ccccc2)cc1 ZINC000229877269 569287134 /nfs/dbraw/zinc/28/71/34/569287134.db2.gz QLBWEDTZLSUCNV-ZFFYZDHPSA-N 0 0 411.501 5.162 40 0 HKABRN Clc1cc(Nc2ccc(I)cc2Cl)nc(C2CC2)n1 ZINC000232152885 568938326 /nfs/dbraw/zinc/93/83/26/568938326.db2.gz FWDUZMDYIHTKFB-UHFFFAOYSA-N 0 0 406.054 5.009 40 0 HKABRN CC(C)(C)c1nc(Cl)cc(Nc2ccc(I)cc2Cl)n1 ZINC000232153017 569288923 /nfs/dbraw/zinc/28/89/23/569288923.db2.gz KDIBMXAWBMGICU-UHFFFAOYSA-N 0 0 422.097 5.429 40 0 HKABRN CC(C)c1nc(Cl)cc(Nc2ccc(I)cc2Cl)n1 ZINC000232153054 568938259 /nfs/dbraw/zinc/93/82/59/568938259.db2.gz PPNAMRUZVVQLMQ-UHFFFAOYSA-N 0 0 408.070 5.255 40 0 HKABRN COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000237260325 569291488 /nfs/dbraw/zinc/29/14/88/569291488.db2.gz DYDGSTVQIOPNAD-UHFFFAOYSA-N 0 0 410.901 5.287 40 0 HKABRN COc1ccc(C(=O)N2CC[C@]3(Cl)CCCC[C@H]3[C@H]2c2ccccc2)cc1OC ZINC000245227281 569114279 /nfs/dbraw/zinc/11/42/79/569114279.db2.gz JKAIHNBLNWWOSE-BPUDTRNYSA-N 0 0 413.945 5.459 40 0 HKABRN COc1ccc(C(=O)N2CC[C@]3(Cl)CCCC[C@@H]3[C@H]2c2ccccc2)cc1OC ZINC000245227282 569114260 /nfs/dbraw/zinc/11/42/60/569114260.db2.gz JKAIHNBLNWWOSE-ZFJSRUIDSA-N 0 0 413.945 5.459 40 0 HKABRN C[C@@H]1C[C@@]2(C)[C@H](CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C[C@H]1OC(=O)c1ccccc1 ZINC000245227389 569370220 /nfs/dbraw/zinc/37/02/20/569370220.db2.gz FODHMRRHZAVFBM-LMLORSDWSA-N 0 0 408.582 6.070 40 0 HKABRN CC1(C)[C@H](C(=O)N[C@H](c2ccccc2)C(Cl)(Cl)Cl)[C@H]1C=C(Cl)Cl ZINC000245231990 569370233 /nfs/dbraw/zinc/37/02/33/569370233.db2.gz NODGGCSNXDZVRD-KGYLQXTDSA-N 0 0 415.575 5.805 40 0 HKABRN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000245231992 569370291 /nfs/dbraw/zinc/37/02/91/569370291.db2.gz NODGGCSNXDZVRD-RAIGVLPGSA-N 0 0 415.575 5.805 40 0 HKABRN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000245232365 569370243 /nfs/dbraw/zinc/37/02/43/569370243.db2.gz ULNUUSRBFWWGNO-KFWWJZLASA-N 0 0 423.504 5.433 40 0 HKABRN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(/C=C\c5ccccc5)=CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000245239113 569370340 /nfs/dbraw/zinc/37/03/40/569370340.db2.gz FLDVEKQSXXBPDV-FBVHAMQASA-N 0 0 418.621 7.211 40 0 HKABRN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(/C=C\c5ccccc5)=CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000245239116 569370352 /nfs/dbraw/zinc/37/03/52/569370352.db2.gz FLDVEKQSXXBPDV-WFNPQSARSA-N 0 0 418.621 7.211 40 0 HKABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC=C(C5(C)OCCO5)[C@@]4(C)CC[C@H]32)C1 ZINC000245239521 569370348 /nfs/dbraw/zinc/37/03/48/569370348.db2.gz JYRJWVYVMVQZQS-HIPJIPGDSA-N 0 0 400.559 5.180 40 0 HKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC=C(C5(C)OCCO5)[C@@]4(C)CC[C@H]32)C1 ZINC000245239522 569370361 /nfs/dbraw/zinc/37/03/61/569370361.db2.gz JYRJWVYVMVQZQS-XPUPLBFISA-N 0 0 400.559 5.180 40 0 HKABRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000245239673 569370357 /nfs/dbraw/zinc/37/03/57/569370357.db2.gz LNGLEOIUQBVRRY-KMKDBZSOSA-N 0 0 400.647 6.856 40 0 HKABRN CC(=O)[C@H](C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)C(c1ccccc1)c1ccccc1 ZINC000245240316 569370382 /nfs/dbraw/zinc/37/03/82/569370382.db2.gz PBSTWIYTCPQRBP-IODBPXAYSA-N 0 0 406.566 6.028 40 0 HKABRN CC(=O)[C@H](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(c1ccccc1)c1ccccc1 ZINC000245240317 569370378 /nfs/dbraw/zinc/37/03/78/569370378.db2.gz PBSTWIYTCPQRBP-KXMWUTRISA-N 0 0 406.566 6.028 40 0 HKABRN CC(=O)[C@H](C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(c1ccccc1)c1ccccc1 ZINC000245240318 569370342 /nfs/dbraw/zinc/37/03/42/569370342.db2.gz PBSTWIYTCPQRBP-MNVNNWCQSA-N 0 0 406.566 6.028 40 0 HKABRN C(=C1/c2ccccc2[C@H]2[C@@H]3c4ccccc4/C(=C/c4ccccc4)[C@H]3O[C@H]12)\c1ccccc1 ZINC000245240619 569370339 /nfs/dbraw/zinc/37/03/39/569370339.db2.gz QTCLDESTKURNLW-DYUPCHAYSA-N 0 0 424.543 7.430 40 0 HKABRN C(=C1\c2ccccc2[C@H]2[C@@H]3c4ccccc4/C(=C/c4ccccc4)[C@H]3O[C@H]12)\c1ccccc1 ZINC000245240620 569370358 /nfs/dbraw/zinc/37/03/58/569370358.db2.gz QTCLDESTKURNLW-MFUKQNIJSA-N 0 0 424.543 7.430 40 0 HKABRN CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000245240658 569370376 /nfs/dbraw/zinc/37/03/76/569370376.db2.gz RDWRBYXTTMJESU-PNIUZAESSA-N 0 0 409.573 5.962 40 0 HKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=CCc1ccccc1)C(=O)c1ccccc1 ZINC000245240784 569370364 /nfs/dbraw/zinc/37/03/64/569370364.db2.gz SQYUSQQNCYCPRO-DBGYELTGSA-N 0 0 404.550 6.203 40 0 HKABRN CC[C@](C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)(C(=O)c1ccccc1)c1ccccc1 ZINC000245241011 569370374 /nfs/dbraw/zinc/37/03/74/569370374.db2.gz WIASCYIKGZAQQR-IMKCGBLWSA-N 0 0 406.566 6.221 40 0 HKABRN CC[C@](C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)(C(=O)c1ccccc1)c1ccccc1 ZINC000245241012 569370365 /nfs/dbraw/zinc/37/03/65/569370365.db2.gz WIASCYIKGZAQQR-WJKQRCEYSA-N 0 0 406.566 6.221 40 0 HKABRN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](c2ccccc2)CC[C@H]3c2ccccc2)cc1 ZINC000245380076 569370594 /nfs/dbraw/zinc/37/05/94/569370594.db2.gz QLBWEDTZLSUCNV-CXSMSNRLSA-N 0 0 411.501 5.162 40 0 HKABRN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)CC[C@H]3c2ccccc2)cc1 ZINC000245380077 569370728 /nfs/dbraw/zinc/37/07/28/569370728.db2.gz QLBWEDTZLSUCNV-OJJQZRKESA-N 0 0 411.501 5.162 40 0 HKABRN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(Cl)cc1)[C@H]2O ZINC000245391860 569370691 /nfs/dbraw/zinc/37/06/91/569370691.db2.gz FDGCFEWJEHAVJT-ISAMVGCQSA-N 0 0 413.001 6.018 40 0 HKABRN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(Cl)cc1)[C@@H]2O ZINC000245391862 569370746 /nfs/dbraw/zinc/37/07/46/569370746.db2.gz FDGCFEWJEHAVJT-VWZRJUBTSA-N 0 0 413.001 6.018 40 0 HKABRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000247645326 569370882 /nfs/dbraw/zinc/37/08/82/569370882.db2.gz JQMQKOQOLPGBBE-RPLLTYNHSA-N 0 0 402.663 6.648 40 0 HKABRN O=C1[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N2C(=S)[C@H]1c1ccccc1 ZINC000247710217 569370874 /nfs/dbraw/zinc/37/08/74/569370874.db2.gz IVDBOCQRNBHGAG-AOHZBQACSA-N 0 0 408.526 5.178 40 0 HKABRN O=C1[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N2C(=S)[C@H]1c1ccccc1 ZINC000247710218 569370854 /nfs/dbraw/zinc/37/08/54/569370854.db2.gz IVDBOCQRNBHGAG-WPFOTENUSA-N 0 0 408.526 5.178 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000247752934 569370842 /nfs/dbraw/zinc/37/08/42/569370842.db2.gz VLOOOWSDUIJFTK-UHFFFAOYSA-N 0 0 410.811 5.118 40 0 HKABRN C[C@@H]1C[C@@H](C)C[C@H](C)N1C(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000247876379 569371006 /nfs/dbraw/zinc/37/10/06/569371006.db2.gz AFUZUSPUDYOVQC-QKDCVEJESA-N 0 0 416.447 5.064 40 0 HKABRN COCCCCCC(=O)Oc1cc(Cl)ccc1Cc1ccc(Cl)cc1Cl ZINC000247889729 569371013 /nfs/dbraw/zinc/37/10/13/569371013.db2.gz STGTZQSKEOTTBO-UHFFFAOYSA-N 0 0 415.744 6.350 40 0 HKABRN COc1ccc2[nH]c(S[C@H](C(=O)NC3CCCCCC3)c3ccccc3)nc2c1 ZINC000247938974 569371008 /nfs/dbraw/zinc/37/10/08/569371008.db2.gz HVVWXQMVNAHQFT-NRFANRHFSA-N 0 0 409.555 5.244 40 0 HKABRN COc1ccc2[nH]c(S[C@@H](C(=O)NC3CCCCCC3)c3ccccc3)nc2c1 ZINC000247938981 569370990 /nfs/dbraw/zinc/37/09/90/569370990.db2.gz HVVWXQMVNAHQFT-OAQYLSRUSA-N 0 0 409.555 5.244 40 0 HKABRN COc1ccc2[nH]c(SCC(=O)N3c4ccccc4CCc4ccccc43)nc2c1 ZINC000247971296 569370985 /nfs/dbraw/zinc/37/09/85/569370985.db2.gz UXCNCYGKFHJJOE-UHFFFAOYSA-N 0 0 415.518 5.127 40 0 HKABRN Cc1nnc(SCCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000248048532 569371137 /nfs/dbraw/zinc/37/11/37/569371137.db2.gz WEMCCGOEZWBFJK-UHFFFAOYSA-N 0 0 415.384 5.005 40 0 HKABRN CC[C@H](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)C(C)C ZINC000248231377 569371464 /nfs/dbraw/zinc/37/14/64/569371464.db2.gz KZJWDPNRJALLNS-USLLMGQYSA-N 0 0 414.718 8.025 40 0 HKABRN CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)Oc3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000248246910 569371601 /nfs/dbraw/zinc/37/16/01/569371601.db2.gz HLAAQSOEPOMMTF-VVPTUSLJSA-N 0 0 410.520 7.202 40 0 HKABRN CCOc1ccc2[nH]c(S[C@@H](C(=O)NC3CCCCCC3)c3ccccc3)nc2c1 ZINC000248380328 569371794 /nfs/dbraw/zinc/37/17/94/569371794.db2.gz PSXOFAWWFDPASZ-JOCHJYFZSA-N 0 0 423.582 5.634 40 0 HKABRN CCOc1ccc2[nH]c(S[C@H](C(=O)NC3CCCCCC3)c3ccccc3)nc2c1 ZINC000248380329 569371777 /nfs/dbraw/zinc/37/17/77/569371777.db2.gz PSXOFAWWFDPASZ-QFIPXVFZSA-N 0 0 423.582 5.634 40 0 HKABRN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@]32C)O[C@@]12CC[C@H](C)CO2 ZINC000249699119 569143970 /nfs/dbraw/zinc/14/39/70/569143970.db2.gz WQLVFSAGQJTQCK-QITUHIDSSA-N 0 0 414.630 5.714 40 0 HKABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 ZINC000252189514 569371970 /nfs/dbraw/zinc/37/19/70/569371970.db2.gz RJQXEDHGUKIIPC-CABCVRRESA-N 0 0 407.341 5.778 40 0 HKABRN C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@H]3[C@H](O)C=C4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@@]12C ZINC000253476141 569373024 /nfs/dbraw/zinc/37/30/24/569373024.db2.gz BQMSKLCEWBSPPY-XABZALOQSA-N 0 0 418.662 5.474 40 0 HKABRN CC(=O)Oc1ccc(OC(C)=O)c(C[C@]2(C)[C@H](C)CC[C@]3(C)[C@H](C)CCC[C@@H]23)c1 ZINC000253490627 569373432 /nfs/dbraw/zinc/37/34/32/569373432.db2.gz JNPCOXQSZZCMMB-LGDYHXFWSA-N 0 0 400.559 5.958 40 0 HKABRN CC(=O)Oc1ccc(OC(C)=O)c(C[C@]2(C)[C@H](C)CC[C@]3(C)[C@H](C)CCC[C@H]23)c1 ZINC000253490628 569373445 /nfs/dbraw/zinc/37/34/45/569373445.db2.gz JNPCOXQSZZCMMB-LJYQMKLZSA-N 0 0 400.559 5.958 40 0 HKABRN CC(=O)Oc1ccc(OC(C)=O)c(C[C@]2(C)[C@H](C)CC[C@@]3(C)[C@H]2CCC[C@@H]3C)c1 ZINC000253490629 569373411 /nfs/dbraw/zinc/37/34/11/569373411.db2.gz JNPCOXQSZZCMMB-MABKOXAWSA-N 0 0 400.559 5.958 40 0 HKABRN CC(=O)Oc1ccc(OC(C)=O)c(C[C@]2(C)[C@H](C)CC[C@]3(C)[C@@H](C)CCC[C@H]23)c1 ZINC000253490630 569373426 /nfs/dbraw/zinc/37/34/26/569373426.db2.gz JNPCOXQSZZCMMB-PLPDYRPSSA-N 0 0 400.559 5.958 40 0 HKABRN CCCC1CCC([C@H]2CC[C@H](c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)CC1 ZINC000253497115 569373569 /nfs/dbraw/zinc/37/35/69/569373569.db2.gz LQRASBADJFXRBP-ZRPHKLAYSA-N 0 0 414.555 8.651 40 0 HKABRN CCOc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 ZINC000253497855 569373574 /nfs/dbraw/zinc/37/35/74/569373574.db2.gz SDDXAJAVPWQDGV-CTDBOCAGSA-N 0 0 408.626 6.872 40 0 HKABRN CCOc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 ZINC000253497856 569373564 /nfs/dbraw/zinc/37/35/64/569373564.db2.gz SDDXAJAVPWQDGV-ZCCMWAGFSA-N 0 0 408.626 6.872 40 0 HKABRN CCOc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1 ZINC000253497857 569373566 /nfs/dbraw/zinc/37/35/66/569373566.db2.gz SDDXAJAVPWQDGV-ZREJJHDXSA-N 0 0 408.626 6.872 40 0 HKABRN COc1ccc(/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)cc1 ZINC000253497879 569373563 /nfs/dbraw/zinc/37/35/63/569373563.db2.gz YIPJBSXSAMSSSQ-LVBUGXGYSA-N 0 0 410.598 5.453 40 0 HKABRN COc1ccc(/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)cc1 ZINC000253497880 569373606 /nfs/dbraw/zinc/37/36/06/569373606.db2.gz YIPJBSXSAMSSSQ-UXAJITLTSA-N 0 0 410.598 5.453 40 0 HKABRN COc1ccc(/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)cc1 ZINC000253497881 569373582 /nfs/dbraw/zinc/37/35/82/569373582.db2.gz YIPJBSXSAMSSSQ-VYXGHUMCSA-N 0 0 410.598 5.453 40 0 HKABRN COc1ccc(/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)cc1 ZINC000253497882 569373568 /nfs/dbraw/zinc/37/35/68/569373568.db2.gz YIPJBSXSAMSSSQ-YEVDDIFCSA-N 0 0 410.598 5.453 40 0 HKABRN C[C@@H]1C[C@@]2(C)[C@H](CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C[C@H]1OC(=O)c1ccccc1 ZINC000253499501 569373737 /nfs/dbraw/zinc/37/37/37/569373737.db2.gz FODHMRRHZAVFBM-BNEHXMSISA-N 0 0 408.582 6.070 40 0 HKABRN C[C@@H]1C[C@@]2(C)[C@H](CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C[C@H]1OC(=O)c1ccccc1 ZINC000253499506 569373770 /nfs/dbraw/zinc/37/37/70/569373770.db2.gz FODHMRRHZAVFBM-IELPHHCCSA-N 0 0 408.582 6.070 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC(=O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000253503920 560038553 /nfs/dbraw/zinc/03/85/53/560038553.db2.gz AYXDXVGGAIDTQI-AXOQWHMGSA-N 0 0 402.663 6.792 40 0 biogenic,in-vitro HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC(=O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000253503925 560038556 /nfs/dbraw/zinc/03/85/56/560038556.db2.gz AYXDXVGGAIDTQI-IMUJTPCMSA-N 0 0 402.663 6.792 40 0 biogenic,in-vitro HKABRN CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)C ZINC000253504123 560038568 /nfs/dbraw/zinc/03/85/68/560038568.db2.gz CSVWWLUMXNHWSU-LTLRZPIRSA-N 0 0 414.718 7.881 40 0 biogenic,in-vitro HKABRN CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000253504136 560038565 /nfs/dbraw/zinc/03/85/65/560038565.db2.gz CSVWWLUMXNHWSU-NEAWXRJUSA-N 0 0 414.718 7.881 40 0 biogenic,in-vitro HKABRN CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C ZINC000253504143 523748409 /nfs/dbraw/zinc/74/84/09/523748409.db2.gz CSVWWLUMXNHWSU-NFXGSVPSSA-N 0 0 414.718 7.881 40 0 biogenic,in-vitro HKABRN CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000253504144 560038551 /nfs/dbraw/zinc/03/85/51/560038551.db2.gz CSVWWLUMXNHWSU-YYNOSVHFSA-N 0 0 414.718 7.881 40 0 biogenic,in-vitro HKABRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253504557 560037810 /nfs/dbraw/zinc/03/78/10/560037810.db2.gz HKHHYUSFWJROEJ-FKAJXBDFSA-N 0 0 404.679 6.584 40 0 biogenic,in-vitro HKABRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@]4(O)CCCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253504558 560037806 /nfs/dbraw/zinc/03/78/06/560037806.db2.gz HKHHYUSFWJROEJ-IGOLDHQBSA-N 0 0 404.679 6.584 40 0 biogenic,in-vitro HKABRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253504561 560037815 /nfs/dbraw/zinc/03/78/15/560037815.db2.gz HKHHYUSFWJROEJ-OZXJBWNJSA-N 0 0 404.679 6.584 40 0 biogenic,in-vitro HKABRN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)C4=CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 ZINC000253505111 291278698 /nfs/dbraw/zinc/27/86/98/291278698.db2.gz QCVKYDNFSXDPSW-ABYZBOQSSA-N 0 0 414.630 5.714 40 0 biogenic,in-vitro HKABRN C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)C4=CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 ZINC000253505114 291279228 /nfs/dbraw/zinc/27/92/28/291279228.db2.gz QCVKYDNFSXDPSW-GBDUMCJGSA-N 0 0 414.630 5.714 40 0 biogenic,in-vitro HKABRN C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)C4=CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 ZINC000253505116 291279224 /nfs/dbraw/zinc/27/92/24/291279224.db2.gz QCVKYDNFSXDPSW-IMAIIGTQSA-N 0 0 414.630 5.714 40 0 biogenic,in-vitro HKABRN C[C@@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)C4=CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 ZINC000253505119 291278699 /nfs/dbraw/zinc/27/86/99/291278699.db2.gz QCVKYDNFSXDPSW-WNDGYDOMSA-N 0 0 414.630 5.714 40 0 biogenic,in-vitro HKABRN CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000253505155 291273054 /nfs/dbraw/zinc/27/30/54/291273054.db2.gz QQWIMVRGPKFDGM-BWMIPAFUSA-N 0 0 424.713 8.543 40 0 biogenic,in-vitro HKABRN CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000253505157 574421404 /nfs/dbraw/zinc/42/14/04/574421404.db2.gz QQWIMVRGPKFDGM-SGJHLFKVSA-N 0 0 424.713 8.543 40 0 endogenous,in-man HKABRN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)/C=C\c5ccccc5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000253505210 569373907 /nfs/dbraw/zinc/37/39/07/569373907.db2.gz BHWKXKHBCVBVDP-UKAVIDPUSA-N 0 0 418.577 6.144 40 0 HKABRN CC(C)CCC[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 ZINC000253505642 519648310 /nfs/dbraw/zinc/64/83/10/519648310.db2.gz YMMFNKXZULYSOQ-FBELJFJFSA-N 0 0 420.678 5.554 40 0 biogenic,in-vitro HKABRN CC(C)CCC[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 ZINC000253505645 560038292 /nfs/dbraw/zinc/03/82/92/560038292.db2.gz YMMFNKXZULYSOQ-GCCIQOFISA-N 0 0 420.678 5.554 40 0 biogenic,in-vitro HKABRN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C ZINC000253514174 569373908 /nfs/dbraw/zinc/37/39/08/569373908.db2.gz FXWAFDROLPRQFL-DJZIGAAASA-N 0 0 414.674 6.382 40 0 HKABRN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000253514175 569373872 /nfs/dbraw/zinc/37/38/72/569373872.db2.gz FXWAFDROLPRQFL-PQDNMPEFSA-N 0 0 414.674 6.382 40 0 HKABRN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C ZINC000253514176 569373890 /nfs/dbraw/zinc/37/38/90/569373890.db2.gz FXWAFDROLPRQFL-UYHNODBYSA-N 0 0 414.674 6.382 40 0 HKABRN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000253514177 569373875 /nfs/dbraw/zinc/37/38/75/569373875.db2.gz FXWAFDROLPRQFL-ZATIBYBESA-N 0 0 414.674 6.382 40 0 HKABRN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@H]2OC(=O)/C=C/c1ccccc1 ZINC000253530050 569373994 /nfs/dbraw/zinc/37/39/94/569373994.db2.gz YDLGPSRBKLWFAV-UZOKHENQSA-N 0 0 406.610 7.044 40 0 HKABRN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)/C=C/c1ccccc1 ZINC000253530051 569373966 /nfs/dbraw/zinc/37/39/66/569373966.db2.gz YDLGPSRBKLWFAV-YVNAQUSSSA-N 0 0 406.610 7.044 40 0 HKABRN COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)cc1 ZINC000253534298 523418288 /nfs/dbraw/zinc/41/82/88/523418288.db2.gz MDGYGSZQYJUTBN-GGBHNLLPSA-N 0 0 408.582 5.373 40 0 HKABRN COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)cc1 ZINC000253534299 523420183 /nfs/dbraw/zinc/42/01/83/523420183.db2.gz MDGYGSZQYJUTBN-VNYFHDOISA-N 0 0 408.582 5.373 40 0 HKABRN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000253534627 569382844 /nfs/dbraw/zinc/38/28/44/569382844.db2.gz GMBQZIIUCVWOCD-GESHBDCTSA-N 0 0 416.646 5.794 40 0 HKABRN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 ZINC000253534628 569382801 /nfs/dbraw/zinc/38/28/01/569382801.db2.gz GMBQZIIUCVWOCD-ODMVLZNVSA-N 0 0 416.646 5.794 40 0 HKABRN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@H](C)CO2 ZINC000253534629 569382836 /nfs/dbraw/zinc/38/28/36/569382836.db2.gz GMBQZIIUCVWOCD-TVNWUQNKSA-N 0 0 416.646 5.794 40 0 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HKABRN CSc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3CC(C)(C)CC(=O)[C@@H]32)cc1 ZINC000253564480 569374109 /nfs/dbraw/zinc/37/41/09/569374109.db2.gz GONTXJAEPHIUGB-AMDXRBSFSA-N 0 0 401.575 6.817 40 0 HKABRN CSc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3CC(C)(C)CC(=O)[C@H]23)cc1 ZINC000253564481 569374129 /nfs/dbraw/zinc/37/41/29/569374129.db2.gz GONTXJAEPHIUGB-ZPZUNKDASA-N 0 0 401.575 6.817 40 0 HKABRN CCc1nn2c(ncc3c2ccn([C@@H]2CCC[C@@H](C)[C@H]2C)c3=O)c1-c1ccccc1 ZINC000253564882 569374114 /nfs/dbraw/zinc/37/41/14/569374114.db2.gz HARLZKCNLRHXDY-CBGDNZLLSA-N 0 0 400.526 5.271 40 0 HKABRN CCc1nn2c(ncc3c2ccn([C@@H]2CCC[C@H](C)[C@H]2C)c3=O)c1-c1ccccc1 ZINC000253564883 569374119 /nfs/dbraw/zinc/37/41/19/569374119.db2.gz HARLZKCNLRHXDY-CSODHUTKSA-N 0 0 400.526 5.271 40 0 HKABRN Cc1nn2c(nnc3c2ccn([C@@H]2CCC[C@@H](C)[C@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000253566594 569374135 /nfs/dbraw/zinc/37/41/35/569374135.db2.gz JDADACFPPUPSLB-HBUWYVDXSA-N 0 0 421.932 5.065 40 0 HKABRN 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/nfs/dbraw/zinc/37/43/55/569374355.db2.gz HVJCKZFYZWPQOO-PPUYEYNDSA-N 0 0 414.718 8.433 40 0 HKABRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC=C(C5(C)OCCO5)[C@]4(C)CC[C@H]32)C1 ZINC000253612346 569374271 /nfs/dbraw/zinc/37/42/71/569374271.db2.gz JYRJWVYVMVQZQS-GUIPAGCOSA-N 0 0 400.559 5.180 40 0 HKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC=C(C5(C)OCCO5)[C@]4(C)CC[C@H]32)C1 ZINC000253612348 569374295 /nfs/dbraw/zinc/37/42/95/569374295.db2.gz JYRJWVYVMVQZQS-PGHFCAIBSA-N 0 0 400.559 5.180 40 0 HKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC(=O)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253617109 569374441 /nfs/dbraw/zinc/37/44/41/569374441.db2.gz GVAODFIKHWYQPE-NIPGGWMXSA-N 0 0 416.646 5.971 40 0 HKABRN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)C(/C=C\c5ccccc5)=CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000253617254 569374470 /nfs/dbraw/zinc/37/44/70/569374470.db2.gz FLDVEKQSXXBPDV-JGTJBOEESA-N 0 0 418.621 7.211 40 0 HKABRN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)C(/C=C\c5ccccc5)=CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000253617255 569374417 /nfs/dbraw/zinc/37/44/17/569374417.db2.gz FLDVEKQSXXBPDV-KYLKZVNKSA-N 0 0 418.621 7.211 40 0 HKABRN CC(C)CCC[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 ZINC000253617404 569374389 /nfs/dbraw/zinc/37/43/89/569374389.db2.gz YMMFNKXZULYSOQ-RGCAWARNSA-N 0 0 420.678 5.554 40 0 HKABRN CC(=O)O[C@H](C)[C@]1(C)CCC2=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C[C@H](OC(C)=O)CC[C@]12C ZINC000253617485 569374381 /nfs/dbraw/zinc/37/43/81/569374381.db2.gz PFGGRDCYFHNFSS-RPZCSDAGSA-N 0 0 416.602 5.983 40 0 HKABRN CC(=O)O[C@H](C)[C@]1(C)CCC2=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C[C@H](OC(C)=O)CC[C@@]12C ZINC000253617486 569374434 /nfs/dbraw/zinc/37/44/34/569374434.db2.gz PFGGRDCYFHNFSS-YRWNTYMISA-N 0 0 416.602 5.983 40 0 HKABRN CC(C)(C)OC(=O)N1[C@H](c2ccccc2Br)C[C@]2(C)C=CCCC[C@H]12 ZINC000254286840 569374719 /nfs/dbraw/zinc/37/47/19/569374719.db2.gz FLESWKCEYYVPIZ-WFXMLNOXSA-N 0 0 406.364 6.246 40 0 HKABRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000254515709 569374813 /nfs/dbraw/zinc/37/48/13/569374813.db2.gz LIIFBMGUDSHTOU-AMSCAJLWSA-N 0 0 424.713 8.377 40 0 HKABRN 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(=O)CC[C@]34C)[C@@H]2C1 ZINC000254515711 569374759 /nfs/dbraw/zinc/37/47/59/569374759.db2.gz LIIFBMGUDSHTOU-CASAJJRMSA-N 0 0 424.713 8.377 40 0 HKABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@@H](Nc1ccccn1)C(Cl)(Cl)Cl ZINC000254789390 569374916 /nfs/dbraw/zinc/37/49/16/569374916.db2.gz PQOGPQCDZDICOM-IXYNUQLISA-N 0 0 422.784 5.377 40 0 HKABRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)N[C@H](Nc1ccccn1)C(Cl)(Cl)Cl ZINC000254789391 569374942 /nfs/dbraw/zinc/37/49/42/569374942.db2.gz PQOGPQCDZDICOM-NYTXWWLZSA-N 0 0 422.784 5.377 40 0 HKABRN CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255222140 557531715 /nfs/dbraw/zinc/53/17/15/557531715.db2.gz JZVFJDZBLUFKCA-DWNRDSMASA-N 0 0 412.702 7.801 40 0 biogenic HKABRN Cc1cn(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c(-c2ccccc2)n1 ZINC000256055637 569376290 /nfs/dbraw/zinc/37/62/90/569376290.db2.gz OAHHBDFIAMXHGS-UHFFFAOYSA-N 0 0 401.702 5.056 40 0 HKABRN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SCc2ccccc2)cc1 ZINC000256055753 569376288 /nfs/dbraw/zinc/37/62/88/569376288.db2.gz RYCICBHULOCGTQ-UHFFFAOYSA-N 0 0 411.504 5.368 40 0 HKABRN CCCC[C@@H](CC)CO[P@](=O)(C[C@H](CC)CCCC)OC[C@@H](CC)CCCC ZINC000256089635 569376318 /nfs/dbraw/zinc/37/63/18/569376318.db2.gz GOCVCBDBQYEFQD-GFXAMXPBSA-N 0 0 418.643 8.862 40 0 HKABRN CCCC[C@@H](CC)CO[P@](=O)(C[C@@H](CC)CCCC)OC[C@@H](CC)CCCC ZINC000256089638 569376187 /nfs/dbraw/zinc/37/61/87/569376187.db2.gz GOCVCBDBQYEFQD-IMBSWCNGSA-N 0 0 418.643 8.862 40 0 HKABRN CC[C@@H](/C=C\[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)C(C)C ZINC000256429064 569376423 /nfs/dbraw/zinc/37/64/23/569376423.db2.gz HCXVJBMSMIARIN-HBJCEOFQSA-N 0 0 412.702 7.801 40 0 HKABRN CC[C@H](/C=C\[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)C(C)C ZINC000256429070 569376336 /nfs/dbraw/zinc/37/63/36/569376336.db2.gz HCXVJBMSMIARIN-YWHNWFRASA-N 0 0 412.702 7.801 40 0 HKABRN CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C ZINC000256449035 569376471 /nfs/dbraw/zinc/37/64/71/569376471.db2.gz OQMZNAMGEHIHNN-GANAANQTSA-N 0 0 410.686 7.721 40 0 HKABRN CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000256449040 569376512 /nfs/dbraw/zinc/37/65/12/569376512.db2.gz OQMZNAMGEHIHNN-QDVGYYBISA-N 0 0 410.686 7.721 40 0 HKABRN CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)C ZINC000256449044 569376470 /nfs/dbraw/zinc/37/64/70/569376470.db2.gz OQMZNAMGEHIHNN-UGNBPXPPSA-N 0 0 410.686 7.721 40 0 HKABRN CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000256449049 569376491 /nfs/dbraw/zinc/37/64/91/569376491.db2.gz OQMZNAMGEHIHNN-VJJDXSFESA-N 0 0 410.686 7.721 40 0 HKABRN O=C(Nc1sc2c(c1-c1nnc(-c3ccccc3)o1)CCCC2)c1ccccc1 ZINC000257173525 559166833 /nfs/dbraw/zinc/16/68/33/559166833.db2.gz PRCREUWPCUWYDC-UHFFFAOYSA-N 0 0 401.491 5.596 40 0 HKABRN COc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 ZINC000257173590 559166745 /nfs/dbraw/zinc/16/67/45/559166745.db2.gz RMEQTXYRULODMO-UHFFFAOYSA-N 0 0 422.337 5.100 40 0 HKABRN O=C(N1CCC[C@@H]1c1ccnc(-c2ccccc2)n1)C1(c2ccccc2F)CCCC1 ZINC000257199894 569376588 /nfs/dbraw/zinc/37/65/88/569376588.db2.gz ABEFWUNNSTXSES-HSZRJFAPSA-N 0 0 415.512 5.458 40 0 HKABRN O=C(N1CCC[C@H]1c1ccnc(-c2ccccc2)n1)C1(c2ccccc2F)CCCC1 ZINC000257199895 569376598 /nfs/dbraw/zinc/37/65/98/569376598.db2.gz ABEFWUNNSTXSES-QHCPKHFHSA-N 0 0 415.512 5.458 40 0 HKABRN COc1cccc(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)c1 ZINC000257200044 569376620 /nfs/dbraw/zinc/37/66/20/569376620.db2.gz ABUHBNOECMHDTO-JOCHJYFZSA-N 0 0 424.928 5.224 40 0 HKABRN COc1cccc(CC(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)c1 ZINC000257200045 569376637 /nfs/dbraw/zinc/37/66/37/569376637.db2.gz ABUHBNOECMHDTO-QFIPXVFZSA-N 0 0 424.928 5.224 40 0 HKABRN Cc1ccc(OCC(=O)N2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)cc1 ZINC000257201021 569376603 /nfs/dbraw/zinc/37/66/03/569376603.db2.gz AFVOGJRMLBVLOW-IBGZPJMESA-N 0 0 424.928 5.012 40 0 HKABRN Cc1ccc(OCC(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)cc1 ZINC000257201022 569376590 /nfs/dbraw/zinc/37/65/90/569376590.db2.gz AFVOGJRMLBVLOW-LJQANCHMSA-N 0 0 424.928 5.012 40 0 HKABRN CC(C)(C)OC(=O)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3ccsc3)n2)C1 ZINC000257201697 569376616 /nfs/dbraw/zinc/37/66/16/569376616.db2.gz AIPUVPSTXMKJSZ-INIZCTEOSA-N 0 0 422.554 5.673 40 0 HKABRN CC(C)(C)OC(=O)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3ccsc3)n2)C1 ZINC000257201698 569376630 /nfs/dbraw/zinc/37/66/30/569376630.db2.gz AIPUVPSTXMKJSZ-MRXNPFEDSA-N 0 0 422.554 5.673 40 0 HKABRN CC(C)C(=O)N[C@@]1(C)C[C@H](c2ccc(Cl)cc2F)O[C@H](c2ccc(F)cc2)C1 ZINC000257202274 569376762 /nfs/dbraw/zinc/37/67/62/569376762.db2.gz ALCYIJQQHZAKQX-TUNNFDKTSA-N 0 0 407.888 5.742 40 0 HKABRN CC(C)C(=O)N[C@]1(C)C[C@H](c2ccc(Cl)cc2F)O[C@H](c2ccc(F)cc2)C1 ZINC000257202275 569376748 /nfs/dbraw/zinc/37/67/48/569376748.db2.gz ALCYIJQQHZAKQX-VWPQPMDRSA-N 0 0 407.888 5.742 40 0 HKABRN CCCC(=O)N[C@@]1(C)C[C@@H](c2cc(Br)ccc2O)O[C@H]2C[C@@H](C)CC[C@@H]21 ZINC000257202487 569376715 /nfs/dbraw/zinc/37/67/15/569376715.db2.gz AMCFRXCYHLDRFI-MDOTZSGJSA-N 0 0 424.379 5.096 40 0 HKABRN Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C3CCCCC3)CC2)on1 ZINC000257203123 569376786 /nfs/dbraw/zinc/37/67/86/569376786.db2.gz AOTJDVTVZYUCIX-WGSAOQKQSA-N 0 0 424.589 5.534 40 0 HKABRN CCC(=O)N[C@]1(C)C[C@H](c2ccc(Cl)cc2F)O[C@H](c2cccc(Cl)c2)C1 ZINC000257203542 569376771 /nfs/dbraw/zinc/37/67/71/569376771.db2.gz AQNIYZGLTORODG-ZVDOUQERSA-N 0 0 410.316 6.010 40 0 HKABRN CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@]3(C2)[C@H]1NC(=O)Cc1ccccc1F ZINC000257203939 569376744 /nfs/dbraw/zinc/37/67/44/569376744.db2.gz ASHIAJFMCNNIBK-FKDXMPTGSA-N 0 0 407.529 5.067 40 0 HKABRN O=C(CCCc1ccc(F)cc1)N1CCC[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257204266 569376750 /nfs/dbraw/zinc/37/67/50/569376750.db2.gz ATTLLCSNXHRLEE-FQEVSTJZSA-N 0 0 418.516 5.088 40 0 HKABRN O=C(CCCc1ccc(F)cc1)N1CCC[C@@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257204267 569376783 /nfs/dbraw/zinc/37/67/83/569376783.db2.gz ATTLLCSNXHRLEE-HXUWFJFHSA-N 0 0 418.516 5.088 40 0 HKABRN O=C(c1ccc2ccccc2n1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257204660 569376742 /nfs/dbraw/zinc/37/67/42/569376742.db2.gz AVUHOOFEKHCNLY-HSZRJFAPSA-N 0 0 415.468 5.320 40 0 HKABRN O=C(c1ccc2ccccc2n1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257204661 569376720 /nfs/dbraw/zinc/37/67/20/569376720.db2.gz AVUHOOFEKHCNLY-QHCPKHFHSA-N 0 0 415.468 5.320 40 0 HKABRN O=C(c1nccc2ccccc21)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257206864 569376723 /nfs/dbraw/zinc/37/67/23/569376723.db2.gz BFFRWYBUDJWDGB-NRFANRHFSA-N 0 0 417.896 5.444 40 0 HKABRN O=C(c1nccc2ccccc21)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257206865 569376782 /nfs/dbraw/zinc/37/67/82/569376782.db2.gz BFFRWYBUDJWDGB-OAQYLSRUSA-N 0 0 417.896 5.444 40 0 HKABRN CC1(C)Oc2ccc(OCc3ccccc3)cc2[C@H]2O[C@@H](c3ccccc3)CC[C@@H]21 ZINC000257207899 569376740 /nfs/dbraw/zinc/37/67/40/569376740.db2.gz BJVLKPMPONDABQ-BFLUCZKCSA-N 0 0 400.518 6.646 40 0 HKABRN COc1ccc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(F)cc3)O2)c(F)c1 ZINC000257208453 569376777 /nfs/dbraw/zinc/37/67/77/569376777.db2.gz BMEZRYUHDNBPRI-XJUOHMSHSA-N 0 0 403.469 5.097 40 0 HKABRN CC(C)C[C@H]1C[C@@](C)(NC(=O)Cc2ccc(F)cc2)C[C@@H](c2ccc(Cl)cc2)O1 ZINC000257208625 569376735 /nfs/dbraw/zinc/37/67/35/569376735.db2.gz BMWYVFVQWFOEGU-WPFOTENUSA-N 0 0 417.952 5.863 40 0 HKABRN CC(C)=CCC[C@]1(C)Oc2ccc(OCc3ccccc3)cc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000257208884 569376770 /nfs/dbraw/zinc/37/67/70/569376770.db2.gz BNXHNZHPEHBNDW-STGNFMFJSA-N 0 0 406.566 7.019 40 0 HKABRN C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1cccc(C(F)(F)F)c1)C[C@]2(C)NC(=O)C1CCCC1 ZINC000257209490 569376763 /nfs/dbraw/zinc/37/67/63/569376763.db2.gz BQQACRJAHWGMQY-VUUZQCJOSA-N 0 0 423.519 6.037 40 0 HKABRN O=C(c1ccc(F)cc1)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 ZINC000257209582 569376694 /nfs/dbraw/zinc/37/66/94/569376694.db2.gz BQYSVVDJMOPHIO-PZJWPPBQSA-N 0 0 415.892 5.014 40 0 HKABRN O=C(NCCC1=CCCCC1)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257210009 569376790 /nfs/dbraw/zinc/37/67/90/569376790.db2.gz BSTFUINAMGSDFN-UHFFFAOYSA-N 0 0 421.556 5.839 40 0 HKABRN C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(Cl)ccc1OC21CCN(C(=O)OC(C)(C)C)CC1 ZINC000257210213 569376773 /nfs/dbraw/zinc/37/67/73/569376773.db2.gz BTRGOHIIGAEDMW-BJZITVGISA-N 0 0 407.938 5.358 40 0 HKABRN Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3c3ncc(Cc4ccc(F)cc4)o3)cc21 ZINC000257211435 569376754 /nfs/dbraw/zinc/37/67/54/569376754.db2.gz BYWAOTUIZBLXIX-HSZRJFAPSA-N 0 0 417.484 5.562 40 0 HKABRN Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3c3ncc(Cc4ccc(F)cc4)o3)cc21 ZINC000257211436 569376737 /nfs/dbraw/zinc/37/67/37/569376737.db2.gz BYWAOTUIZBLXIX-QHCPKHFHSA-N 0 0 417.484 5.562 40 0 HKABRN COc1cccc(C(=O)N2CCC[C@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)c1 ZINC000257212008 569376746 /nfs/dbraw/zinc/37/67/46/569376746.db2.gz CBNIDCZBCXRGEQ-FQEVSTJZSA-N 0 0 404.485 5.225 40 0 HKABRN COc1cccc(C(=O)N2CCC[C@@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)c1 ZINC000257212009 569376690 /nfs/dbraw/zinc/37/66/90/569376690.db2.gz CBNIDCZBCXRGEQ-HXUWFJFHSA-N 0 0 404.485 5.225 40 0 HKABRN COc1ccccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257212827 569376791 /nfs/dbraw/zinc/37/67/91/569376791.db2.gz CFDINAWQEOKDPX-FQEVSTJZSA-N 0 0 410.901 5.295 40 0 HKABRN COc1ccccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257212828 569376702 /nfs/dbraw/zinc/37/67/02/569376702.db2.gz CFDINAWQEOKDPX-HXUWFJFHSA-N 0 0 410.901 5.295 40 0 HKABRN C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccc(C(F)(F)F)cc1)C[C@]2(C)NC(=O)C1CCCC1 ZINC000257213375 569376792 /nfs/dbraw/zinc/37/67/92/569376792.db2.gz CHHGUTMLUVZNSA-VUUZQCJOSA-N 0 0 423.519 6.037 40 0 HKABRN COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cc4ccccc4[nH]3)o2)c1 ZINC000257214006 569376749 /nfs/dbraw/zinc/37/67/49/569376749.db2.gz CKBXLMDOPUZNDS-HSZRJFAPSA-N 0 0 415.493 5.123 40 0 HKABRN COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cc4ccccc4[nH]3)o2)c1 ZINC000257214007 569376710 /nfs/dbraw/zinc/37/67/10/569376710.db2.gz CKBXLMDOPUZNDS-QHCPKHFHSA-N 0 0 415.493 5.123 40 0 HKABRN Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2C(=O)c2ccnn2C(C)C)n1 ZINC000257214865 569376908 /nfs/dbraw/zinc/37/69/08/569376908.db2.gz CNTNSZJSLLDOAJ-JOCHJYFZSA-N 0 0 406.505 5.341 40 0 HKABRN Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCCN2C(=O)c2ccnn2C(C)C)n1 ZINC000257214866 569376918 /nfs/dbraw/zinc/37/69/18/569376918.db2.gz CNTNSZJSLLDOAJ-QFIPXVFZSA-N 0 0 406.505 5.341 40 0 HKABRN COc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3c3ncc(Cc4ccccc4)o3)cc2c1 ZINC000257215316 569376915 /nfs/dbraw/zinc/37/69/15/569376915.db2.gz CPONUIVFRKPLMJ-HSZRJFAPSA-N 0 0 415.493 5.123 40 0 HKABRN COc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3ncc(Cc4ccccc4)o3)cc2c1 ZINC000257215317 569376917 /nfs/dbraw/zinc/37/69/17/569376917.db2.gz CPONUIVFRKPLMJ-QHCPKHFHSA-N 0 0 415.493 5.123 40 0 HKABRN Cc1noc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)CCC3CCCC3)CC2)c1C ZINC000257215961 569376861 /nfs/dbraw/zinc/37/68/61/569376861.db2.gz CSKZTSXSHGEGPW-MEMLXQNLSA-N 0 0 424.589 5.417 40 0 HKABRN CCC(=O)N[C@]1(C)C[C@H](c2cccc(C(F)(F)F)c2)O[C@H](c2ccc(F)cc2)C1 ZINC000257216979 569376903 /nfs/dbraw/zinc/37/69/03/569376903.db2.gz CWZAYSYOIAIYSJ-ZVDOUQERSA-N 0 0 409.423 5.722 40 0 HKABRN C[C@@]1(NC(=O)c2ccccc2)C[C@H](c2cccc(F)c2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257217249 569376876 /nfs/dbraw/zinc/37/68/76/569376876.db2.gz CYFAYFASRWKKRB-ARNLJNQMSA-N 0 0 423.915 6.261 40 0 HKABRN O=C(c1cc2ccccc2o1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257218047 569376912 /nfs/dbraw/zinc/37/69/12/569376912.db2.gz DBQMUYFGEKPBTK-FQEVSTJZSA-N 0 0 404.441 5.518 40 0 HKABRN O=C(c1cc2ccccc2o1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257218048 569376913 /nfs/dbraw/zinc/37/69/13/569376913.db2.gz DBQMUYFGEKPBTK-HXUWFJFHSA-N 0 0 404.441 5.518 40 0 HKABRN COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)o1 ZINC000257218079 569376882 /nfs/dbraw/zinc/37/68/82/569376882.db2.gz DBUNJILBBDISFK-IBGZPJMESA-N 0 0 416.477 5.040 40 0 HKABRN COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)o1 ZINC000257218080 569376863 /nfs/dbraw/zinc/37/68/63/569376863.db2.gz DBUNJILBBDISFK-LJQANCHMSA-N 0 0 416.477 5.040 40 0 HKABRN CC(C)c1cc(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)on1 ZINC000257218125 569376875 /nfs/dbraw/zinc/37/68/75/569376875.db2.gz DBYZLYMQBIRXLD-INIZCTEOSA-N 0 0 413.905 5.050 40 0 HKABRN CC(C)c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)on1 ZINC000257218126 569376898 /nfs/dbraw/zinc/37/68/98/569376898.db2.gz DBYZLYMQBIRXLD-MRXNPFEDSA-N 0 0 413.905 5.050 40 0 HKABRN Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)CCC3CCCC3)CC2)on1 ZINC000257219770 569376899 /nfs/dbraw/zinc/37/68/99/569376899.db2.gz DIBQWVWNUITVQE-MXVIHJGJSA-N 0 0 410.562 5.109 40 0 HKABRN O=C([O-])c1ccc([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2)nc1Cc1ccccc1 ZINC000257219800 569376883 /nfs/dbraw/zinc/37/68/83/569376883.db2.gz DIFLAZCKRQTNRR-HSZRJFAPSA-N 0 0 406.913 5.361 40 0 HKABRN O=C([O-])c1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2)nc1Cc1ccccc1 ZINC000257219801 569376909 /nfs/dbraw/zinc/37/69/09/569376909.db2.gz DIFLAZCKRQTNRR-QHCPKHFHSA-N 0 0 406.913 5.361 40 0 HKABRN COc1cc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(Cl)cc3)O2)ccc1F ZINC000257220133 569376916 /nfs/dbraw/zinc/37/69/16/569376916.db2.gz DJRBWFXZPLAAFF-XJUOHMSHSA-N 0 0 419.924 5.611 40 0 HKABRN Cc1noc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)CC3CCCCC3)CC2)c1C ZINC000257220257 569376928 /nfs/dbraw/zinc/37/69/28/569376928.db2.gz DKEVOVNQDVDKHT-MEMLXQNLSA-N 0 0 424.589 5.417 40 0 HKABRN O=C(Cc1ccc(Cl)cc1)N[C@H]1C[C@@H](c2ccc(F)c(F)c2)O[C@H]2CCCC[C@H]12 ZINC000257221280 569376890 /nfs/dbraw/zinc/37/68/90/569376890.db2.gz DOGYPAJQXRVMIG-MNAPGUCWSA-N 0 0 419.899 5.366 40 0 HKABRN CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)C(C)C)CC1 ZINC000257221583 569376919 /nfs/dbraw/zinc/37/69/19/569376919.db2.gz DPSOHPANEDXXBW-QAQDUYKDSA-N 0 0 400.588 5.086 40 0 HKABRN COC(=O)c1ccc2c(c1)[C@H]1O[C@@H](C)[C@@H](c3cccc(Cl)c3)C[C@@H]1C(C)(C)O2 ZINC000257222313 569376870 /nfs/dbraw/zinc/37/68/70/569376870.db2.gz DSUWXAQGERSQKY-ANFFJROASA-N 0 0 400.902 5.548 40 0 HKABRN COC(=O)c1ccc2c(c1)[C@H]1O[C@@H](C)[C@H](c3cccc(Cl)c3)C[C@@H]1C(C)(C)O2 ZINC000257222314 569376914 /nfs/dbraw/zinc/37/69/14/569376914.db2.gz DSUWXAQGERSQKY-TUTGDRGFSA-N 0 0 400.902 5.548 40 0 HKABRN Cc1cc(Nc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cc3ccccc32)n[nH]1 ZINC000257222452 569376847 /nfs/dbraw/zinc/37/68/47/569376847.db2.gz DTJCOKMDWUDJBW-UHFFFAOYSA-N 0 0 407.518 5.124 40 0 HKABRN CCCC(=O)N1CCC(Cc2ccccc2-c2ccccc2C)(C(=O)NC(C)C)CC1 ZINC000257222721 569376900 /nfs/dbraw/zinc/37/69/00/569376900.db2.gz DULCFJXVUGKUOE-UHFFFAOYSA-N 0 0 420.597 5.138 40 0 HKABRN CCC(=O)N[C@@]1(C)C[C@H](c2cccc(Br)c2)O[C@H](c2ccc(F)cc2)C1 ZINC000257223601 569376871 /nfs/dbraw/zinc/37/68/71/569376871.db2.gz DYBHFWCJJYSAHI-QKNQBKEWSA-N 0 0 420.322 5.466 40 0 HKABRN C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccc(Cl)cc1)C[C@@]2(C)NC(=O)Cc1ccccc1 ZINC000257223677 569376891 /nfs/dbraw/zinc/37/68/91/569376891.db2.gz DYLGJSRMMWWYGV-COPJJLTNSA-N 0 0 411.973 5.724 40 0 HKABRN C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccc(Cl)cc1)C[C@]2(C)NC(=O)Cc1ccccc1 ZINC000257223678 569376853 /nfs/dbraw/zinc/37/68/53/569376853.db2.gz DYLGJSRMMWWYGV-YXAWXADKSA-N 0 0 411.973 5.724 40 0 HKABRN CC(C)CN1C(=O)N(c2ccc(F)cc2F)[C@H]2[C@@H]1CCCC[C@H]2c1ccccc1F ZINC000257224227 569376921 /nfs/dbraw/zinc/37/69/21/569376921.db2.gz FAWHFZXBACOJQF-OFAXGOBFSA-N 0 0 416.487 6.097 40 0 HKABRN C[C@@H]1O[C@@H]2c3cccc(O)c3O[C@@](C)(CCc3ccccc3)[C@H]2C[C@@H]1c1ccccc1 ZINC000257224674 569376976 /nfs/dbraw/zinc/37/69/76/569376976.db2.gz FCVFNMBWUHBWDS-IORSFGAYSA-N 0 0 414.545 6.426 40 0 HKABRN C[C@@H]1O[C@@H]2c3cccc(O)c3O[C@](C)(CCc3ccccc3)[C@H]2C[C@@H]1c1ccccc1 ZINC000257224675 569377001 /nfs/dbraw/zinc/37/70/01/569377001.db2.gz FCVFNMBWUHBWDS-RKZIAWGXSA-N 0 0 414.545 6.426 40 0 HKABRN CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3ccc(C)c(F)c3)CC2)n1 ZINC000257224893 569376980 /nfs/dbraw/zinc/37/69/80/569376980.db2.gz FDVWUUMKYYBMKM-UHFFFAOYSA-N 0 0 407.489 5.075 40 0 HKABRN O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257225182 569376993 /nfs/dbraw/zinc/37/69/93/569376993.db2.gz FFFAXTOZORSASL-JOCHJYFZSA-N 0 0 417.896 5.444 40 0 HKABRN O=C(c1ccc2ccccc2n1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257225183 569377003 /nfs/dbraw/zinc/37/70/03/569377003.db2.gz FFFAXTOZORSASL-QFIPXVFZSA-N 0 0 417.896 5.444 40 0 HKABRN C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1cccc(Cl)c1)C[C@@]2(C)NC(=O)Cc1ccccc1 ZINC000257226003 569376983 /nfs/dbraw/zinc/37/69/83/569376983.db2.gz FITCBKPNCIOQSU-COPJJLTNSA-N 0 0 411.973 5.724 40 0 HKABRN C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1cccc(Cl)c1)C[C@]2(C)NC(=O)Cc1ccccc1 ZINC000257226004 569377021 /nfs/dbraw/zinc/37/70/21/569377021.db2.gz FITCBKPNCIOQSU-YXAWXADKSA-N 0 0 411.973 5.724 40 0 HKABRN CCCc1cc(C(=O)N2CCC[C@H](c3cc(-c4cccc(OC)c4)cc(C)n3)C2)no1 ZINC000257226174 569377027 /nfs/dbraw/zinc/37/70/27/569377027.db2.gz FJLVDCFWLHCTRS-IBGZPJMESA-N 0 0 419.525 5.026 40 0 HKABRN CCCc1cc(C(=O)N2CCC[C@@H](c3cc(-c4cccc(OC)c4)cc(C)n3)C2)no1 ZINC000257226175 569377040 /nfs/dbraw/zinc/37/70/40/569377040.db2.gz FJLVDCFWLHCTRS-LJQANCHMSA-N 0 0 419.525 5.026 40 0 HKABRN Cc1cc(C)n(-c2cccc([C@H]3C[C@@](C)(NC(=O)C(C)C)[C@@H]4CC[C@@H](C)C[C@H]4O3)c2)n1 ZINC000257226744 569377045 /nfs/dbraw/zinc/37/70/45/569377045.db2.gz FLYFEHXUEPPYDW-OTJYMVIVSA-N 0 0 423.601 5.286 40 0 HKABRN Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CCC3CCCC3)CC2)n1 ZINC000257227054 569376988 /nfs/dbraw/zinc/37/69/88/569376988.db2.gz FNKLOGSPCWSAOG-AQYVVDRMSA-N 0 0 406.574 5.207 40 0 HKABRN CN(C)c1cccc(C(=O)N[C@H]2C(C)(C)[C@@H]3C[C@@H]4[C@@H](c5ccccc5)OCC[C@@]42C3)c1 ZINC000257227308 569377013 /nfs/dbraw/zinc/37/70/13/569377013.db2.gz FORDYVCYOIMSSA-WICZROIOSA-N 0 0 418.581 5.065 40 0 HKABRN O=C(c1ccccc1-c1ccccc1)N1CCOC[C@@H](Cc2cccc3cccnc32)C1 ZINC000257228650 569377026 /nfs/dbraw/zinc/37/70/26/569377026.db2.gz FURYIZXFSDHHMZ-NRFANRHFSA-N 0 0 422.528 5.233 40 0 HKABRN O=C(c1ccccc1-c1ccccc1)N1CCOC[C@H](Cc2cccc3cccnc32)C1 ZINC000257228651 569377019 /nfs/dbraw/zinc/37/70/19/569377019.db2.gz FURYIZXFSDHHMZ-OAQYLSRUSA-N 0 0 422.528 5.233 40 0 HKABRN Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3CC=CCC3)CC2)on1 ZINC000257229113 569377039 /nfs/dbraw/zinc/37/70/39/569377039.db2.gz FWSKQZUFRDNFFX-UFYCRDLUSA-N 0 0 422.573 5.310 40 0 HKABRN Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3CC=CCC3)CC2)on1 ZINC000257229114 569377043 /nfs/dbraw/zinc/37/70/43/569377043.db2.gz FWSKQZUFRDNFFX-VAMGGRTRSA-N 0 0 422.573 5.310 40 0 HKABRN CCOc1cccc2c1OC1(CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CC[C@@H](C)O[C@@H]21 ZINC000257229268 569377014 /nfs/dbraw/zinc/37/70/14/569377014.db2.gz FXKLJLXNGMDBCQ-POAQFYNOSA-N 0 0 417.546 5.104 40 0 HKABRN CC(C)[C@@H]1C[C@@]2(CCCN(C(=O)c3ccc(O)cc3)C2)CO[C@H]1c1ccc(F)cc1 ZINC000257229539 569377033 /nfs/dbraw/zinc/37/70/33/569377033.db2.gz FYMAKDPYEVOIHO-SONWIMMPSA-N 0 0 411.517 5.188 40 0 HKABRN CCC(=O)N[C@]1(C)C[C@H](c2ccc(Cl)cc2F)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257229634 569377004 /nfs/dbraw/zinc/37/70/04/569377004.db2.gz FYVRCJNVTFYYCF-ZVDOUQERSA-N 0 0 410.316 6.010 40 0 HKABRN COCCC(=O)N[C@]1(C)C[C@H](c2cc(F)ccc2F)O[C@H](c2cccc(Cl)c2)C1 ZINC000257229843 569377038 /nfs/dbraw/zinc/37/70/38/569377038.db2.gz FZRIDBZZLVQQDJ-VWPQPMDRSA-N 0 0 423.887 5.122 40 0 HKABRN Cc1nc(C)c(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)s1 ZINC000257230884 569377031 /nfs/dbraw/zinc/37/70/31/569377031.db2.gz GEJMEAPKGDRDBG-INIZCTEOSA-N 0 0 415.946 5.012 40 0 HKABRN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)s1 ZINC000257230885 569377012 /nfs/dbraw/zinc/37/70/12/569377012.db2.gz GEJMEAPKGDRDBG-MRXNPFEDSA-N 0 0 415.946 5.012 40 0 HKABRN COc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3c3ncc(Cc4ccccc4)o3)cc21 ZINC000257230993 569376967 /nfs/dbraw/zinc/37/69/67/569376967.db2.gz GETBHKAIBGWDCX-JOCHJYFZSA-N 0 0 415.493 5.123 40 0 HKABRN COc1cccc2[nH]c(C(=O)N3CCCC[C@H]3c3ncc(Cc4ccccc4)o3)cc21 ZINC000257230994 569377044 /nfs/dbraw/zinc/37/70/44/569377044.db2.gz GETBHKAIBGWDCX-QFIPXVFZSA-N 0 0 415.493 5.123 40 0 HKABRN CCC(=O)N[C@@]1(C)C[C@H](c2ccc(C(F)(F)F)cc2)O[C@H](c2ccc(F)cc2)C1 ZINC000257231259 569376991 /nfs/dbraw/zinc/37/69/91/569376991.db2.gz GFYQBFSLSMRIFG-DYXWJJEUSA-N 0 0 409.423 5.722 40 0 HKABRN C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccc(F)cc1)C[C@]2(C)NC(=O)Cc1ccc(F)cc1 ZINC000257231666 569377000 /nfs/dbraw/zinc/37/70/00/569377000.db2.gz GHSPRQHTXCTILT-MSVQFQDFSA-N 0 0 413.508 5.349 40 0 HKABRN COc1ccc(C(=O)N2CCC[C@H](c3cc(-c4ccccc4)cc(C)n3)C2)c(OC)c1 ZINC000257231714 569377018 /nfs/dbraw/zinc/37/70/18/569377018.db2.gz GHXOLTZORAGFAZ-FQEVSTJZSA-N 0 0 416.521 5.094 40 0 HKABRN COc1ccc(C(=O)N2CCC[C@@H](c3cc(-c4ccccc4)cc(C)n3)C2)c(OC)c1 ZINC000257231715 569377009 /nfs/dbraw/zinc/37/70/09/569377009.db2.gz GHXOLTZORAGFAZ-HXUWFJFHSA-N 0 0 416.521 5.094 40 0 HKABRN C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccc(Cl)c(F)c1)C[C@]2(C)NC(=O)C1CCCC1 ZINC000257232003 569377029 /nfs/dbraw/zinc/37/70/29/569377029.db2.gz GIYURIXZNFOGPD-SLHNMUTGSA-N 0 0 407.957 5.810 40 0 HKABRN CCC(=O)N[C@@]1(C)C[C@H](c2ccc(Br)cc2)O[C@H](c2ccc(F)cc2)C1 ZINC000257232319 569376978 /nfs/dbraw/zinc/37/69/78/569376978.db2.gz GKJGAFLSAZWSIH-DYXWJJEUSA-N 0 0 420.322 5.466 40 0 HKABRN CCC(=O)N[C@]1(C)C[C@H](c2ccc(Br)cc2)O[C@H](c2ccc(F)cc2)C1 ZINC000257232320 569377020 /nfs/dbraw/zinc/37/70/20/569377020.db2.gz GKJGAFLSAZWSIH-SVFBPWRDSA-N 0 0 420.322 5.466 40 0 HKABRN CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@]3(C2)[C@H]1NC(=O)c1ccc(F)c(F)c1 ZINC000257232585 569377030 /nfs/dbraw/zinc/37/70/30/569377030.db2.gz GLNLHQAHJNJXGY-NPNWRTNISA-N 0 0 411.492 5.277 40 0 HKABRN CC(C)C(=O)N[C@]1(C)C[C@H](c2ccc(F)cc2F)O[C@H](c2cccc(Cl)c2)C1 ZINC000257233574 569377042 /nfs/dbraw/zinc/37/70/42/569377042.db2.gz GPUBCZZPFWKXIC-VWPQPMDRSA-N 0 0 407.888 5.742 40 0 HKABRN Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)CC3CCCC3)CC2)on1 ZINC000257233791 569377168 /nfs/dbraw/zinc/37/71/68/569377168.db2.gz GQTGSOXEWJKNEF-MXVIHJGJSA-N 0 0 424.589 5.534 40 0 HKABRN CC(C)(C)OC(=O)N1CC[C@H]2O[C@](C)(Cc3cccc(C(F)(F)F)c3)CC[C@H]2C1 ZINC000257233894 569377083 /nfs/dbraw/zinc/37/70/83/569377083.db2.gz GRFDYOROLQNRNO-CDXJDZJCSA-N 0 0 413.480 5.443 40 0 HKABRN CC(C)(C)OC(=O)N1CC[C@H]2O[C@@](C)(Cc3cccc(C(F)(F)F)c3)CC[C@H]2C1 ZINC000257233895 569377112 /nfs/dbraw/zinc/37/71/12/569377112.db2.gz GRFDYOROLQNRNO-YRISNDGFSA-N 0 0 413.480 5.443 40 0 HKABRN Cc1cc(C)n(-c2cccc(C(=O)N3CCC[C@@H](Cc4cccc5ncccc45)C3)c2)n1 ZINC000257234332 569377111 /nfs/dbraw/zinc/37/71/11/569377111.db2.gz GTAKHUGOBNJKAM-NRFANRHFSA-N 0 0 424.548 5.132 40 0 HKABRN Cc1cc(C)n(-c2cccc(C(=O)N3CCC[C@H](Cc4cccc5ncccc45)C3)c2)n1 ZINC000257234333 569377092 /nfs/dbraw/zinc/37/70/92/569377092.db2.gz GTAKHUGOBNJKAM-OAQYLSRUSA-N 0 0 424.548 5.132 40 0 HKABRN COc1ccccc1-c1cccc(CC2(C(=O)NC3CCCCC3)CCOCC2)c1 ZINC000257234477 569377159 /nfs/dbraw/zinc/37/71/59/569377159.db2.gz GTQYUNHFJHOKCI-UHFFFAOYSA-N 0 0 407.554 5.150 40 0 HKABRN OCc1ccccc1CN(Cc1cnn(-c2ccc(Cl)cc2)c1)Cc1ccccc1 ZINC000257234481 569377094 /nfs/dbraw/zinc/37/70/94/569377094.db2.gz GTRJBFAYBPDIMX-UHFFFAOYSA-N 0 0 417.940 5.220 40 0 HKABRN CCC(=O)N[C@]1(C)C[C@H](c2cc(F)c(F)cc2F)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257234844 569377146 /nfs/dbraw/zinc/37/71/46/569377146.db2.gz GVIJVVSUGWSISO-ZVDOUQERSA-N 0 0 411.851 5.635 40 0 HKABRN COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cc3ccccc3[nH]2)o1 ZINC000257235242 569377173 /nfs/dbraw/zinc/37/71/73/569377173.db2.gz GWZZYMGLUINAPE-JOCHJYFZSA-N 0 0 415.493 5.123 40 0 HKABRN COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cc3ccccc3[nH]2)o1 ZINC000257235243 569377171 /nfs/dbraw/zinc/37/71/71/569377171.db2.gz GWZZYMGLUINAPE-QFIPXVFZSA-N 0 0 415.493 5.123 40 0 HKABRN COc1ccccc1-c1ccccc1[C@H]1C[C@@](C)(NC(C)=O)[C@@H]2CC[C@@H](C)C[C@H]2O1 ZINC000257237003 569377153 /nfs/dbraw/zinc/37/71/53/569377153.db2.gz HEUMJAZCFVDDFC-FQTAAUNPSA-N 0 0 407.554 5.523 40 0 HKABRN COc1ccc([C@@H]2CN(c3ccccc3)[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]23)cc1 ZINC000257238189 569377123 /nfs/dbraw/zinc/37/71/23/569377123.db2.gz HJYBYWYLHKVMOK-VABKMULXSA-N 0 0 408.542 5.067 40 0 HKABRN CC(C)C(=O)N[C@]1(C)C[C@H](c2cccc(F)c2F)O[C@H](c2cccc(Cl)c2)C1 ZINC000257238431 569377144 /nfs/dbraw/zinc/37/71/44/569377144.db2.gz HKZCGMUAGUWBMN-JQVVWYNYSA-N 0 0 407.888 5.742 40 0 HKABRN COc1ccccc1CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257239103 569377169 /nfs/dbraw/zinc/37/71/69/569377169.db2.gz HNZRJGZQOXGSOY-NRFANRHFSA-N 0 0 424.928 5.224 40 0 HKABRN COc1ccccc1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257239104 569377179 /nfs/dbraw/zinc/37/71/79/569377179.db2.gz HNZRJGZQOXGSOY-OAQYLSRUSA-N 0 0 424.928 5.224 40 0 HKABRN Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3c3ncc(Cc4cccc(F)c4)o3)cc21 ZINC000257239233 569377167 /nfs/dbraw/zinc/37/71/67/569377167.db2.gz HONMTGHCUJCJJB-HSZRJFAPSA-N 0 0 417.484 5.562 40 0 HKABRN Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3c3ncc(Cc4cccc(F)c4)o3)cc21 ZINC000257239234 569377133 /nfs/dbraw/zinc/37/71/33/569377133.db2.gz HONMTGHCUJCJJB-QHCPKHFHSA-N 0 0 417.484 5.562 40 0 HKABRN CC(C)[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO[C@@H]1c1ccccc1Cl ZINC000257239628 569377177 /nfs/dbraw/zinc/37/71/77/569377177.db2.gz HQDSIAGYAOXFOS-UYAOXDASSA-N 0 0 407.982 6.091 40 0 HKABRN O[C@H]1CCOC[C@H]1[C@H](Nc1ccc2scnc2c1)c1cccc(OC2CCCC2)c1 ZINC000257239954 569377089 /nfs/dbraw/zinc/37/70/89/569377089.db2.gz HRNFNZIWYNVVMU-JCTONOIOSA-N 0 0 424.566 5.168 40 0 HKABRN C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1cccc(Cl)c1)C[C@]2(C)NC(=O)c1ccc(F)cc1 ZINC000257240028 569377084 /nfs/dbraw/zinc/37/70/84/569377084.db2.gz HRTNXCSFZNSKGO-XKWXGUCDSA-N 0 0 415.936 5.934 40 0 HKABRN CCC(=O)N[C@]1(C)C[C@H](c2ccc(F)c(OC)c2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257240061 569377175 /nfs/dbraw/zinc/37/71/75/569377175.db2.gz HRWOSXGODYPWCQ-VWPQPMDRSA-N 0 0 405.897 5.365 40 0 HKABRN O=C(c1ccccc1-c1ccccc1)N1CCC2(C[C@@H](Oc3ccccc3)CO2)CC1 ZINC000257240082 569377151 /nfs/dbraw/zinc/37/71/51/569377151.db2.gz HRZCFUSJISVMEF-HSZRJFAPSA-N 0 0 413.517 5.196 40 0 HKABRN O=C(c1ccccc1-c1ccccc1)N1CCC2(C[C@H](Oc3ccccc3)CO2)CC1 ZINC000257240083 569377101 /nfs/dbraw/zinc/37/71/01/569377101.db2.gz HRZCFUSJISVMEF-QHCPKHFHSA-N 0 0 413.517 5.196 40 0 HKABRN Cc1ccc([C@H](C)C(=O)NC[C@H]2CC[C@H](c3ncncc3-c3ccncc3)CC2)cc1 ZINC000257240137 569377170 /nfs/dbraw/zinc/37/71/70/569377170.db2.gz HSEKSXPSXKBSQN-JTAQYXEDSA-N 0 0 414.553 5.041 40 0 HKABRN Cc1ccc([C@@H](C)C(=O)NC[C@H]2CC[C@H](c3ncncc3-c3ccncc3)CC2)cc1 ZINC000257240138 569377122 /nfs/dbraw/zinc/37/71/22/569377122.db2.gz HSEKSXPSXKBSQN-TXTKFYIRSA-N 0 0 414.553 5.041 40 0 HKABRN Cc1cccc(C(=O)N[C@@]2(C)C[C@@H](c3ccc(Cl)cc3)O[C@H]3C[C@@H](C)CC[C@@H]32)c1 ZINC000257240162 569377103 /nfs/dbraw/zinc/37/71/03/569377103.db2.gz HSHYVAVLSTUMTO-YXAWXADKSA-N 0 0 411.973 6.103 40 0 HKABRN Cc1scc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)c1C ZINC000257240183 569377174 /nfs/dbraw/zinc/37/71/74/569377174.db2.gz HSLZBVILTZRCQF-SHTZXODSSA-N 0 0 401.557 5.180 40 0 HKABRN Cc1ccccc1OCC(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257240292 569377120 /nfs/dbraw/zinc/37/71/20/569377120.db2.gz HSWVGWXFTKSFGF-IBGZPJMESA-N 0 0 424.928 5.012 40 0 HKABRN Cc1ccccc1OCC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257240293 569377076 /nfs/dbraw/zinc/37/70/76/569377076.db2.gz HSWVGWXFTKSFGF-LJQANCHMSA-N 0 0 424.928 5.012 40 0 HKABRN Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H](C)c3ccccc3)CC2)n1 ZINC000257240703 569377178 /nfs/dbraw/zinc/37/71/78/569377178.db2.gz HUTFNZIQEOLAHD-KKLQWCBXSA-N 0 0 414.553 5.041 40 0 HKABRN Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H](C)c3ccccc3)CC2)n1 ZINC000257240704 569377165 /nfs/dbraw/zinc/37/71/65/569377165.db2.gz HUTFNZIQEOLAHD-LEDOBFOHSA-N 0 0 414.553 5.041 40 0 HKABRN NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)CCC2CCCC2)CC1 ZINC000257240730 569377176 /nfs/dbraw/zinc/37/71/76/569377176.db2.gz HUXAPNMPBICHGX-UHFFFAOYSA-N 0 0 424.610 5.022 40 0 HKABRN O=C1N(Cc2ccccn2)[C@H]2CC[C@@H](c3ccc(F)cc3)[C@H]2N1c1ccc(F)cc1 ZINC000257242628 569377148 /nfs/dbraw/zinc/37/71/48/569377148.db2.gz IDJTUYCVPLRGOX-RJGXRXQPSA-N 0 0 405.448 5.117 40 0 HKABRN COc1cccc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(Cl)cc3)O2)c1F ZINC000257242659 569377172 /nfs/dbraw/zinc/37/71/72/569377172.db2.gz IDOPHGAASKVXTB-MZKRTTBSSA-N 0 0 419.924 5.611 40 0 HKABRN COc1ccccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257244438 569377261 /nfs/dbraw/zinc/37/72/61/569377261.db2.gz ILHMUWLYEDHVHZ-FQEVSTJZSA-N 0 0 410.901 5.295 40 0 HKABRN COc1ccccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257244439 569377229 /nfs/dbraw/zinc/37/72/29/569377229.db2.gz ILHMUWLYEDHVHZ-HXUWFJFHSA-N 0 0 410.901 5.295 40 0 HKABRN O=C1[C@H]2[C@H](C[C@H](c3ccccc3)N2Cc2ccccc2Cl)CN1c1ccccc1 ZINC000257244599 569377307 /nfs/dbraw/zinc/37/73/07/569377307.db2.gz IMALNBSVELLDES-AGILITTLSA-N 0 0 402.925 5.319 40 0 HKABRN COc1cccc(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c1 ZINC000257245917 569377252 /nfs/dbraw/zinc/37/72/52/569377252.db2.gz IRQRYKDCDAKNHL-JOCHJYFZSA-N 0 0 424.928 5.224 40 0 HKABRN COc1cccc(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c1 ZINC000257245918 569377293 /nfs/dbraw/zinc/37/72/93/569377293.db2.gz IRQRYKDCDAKNHL-QFIPXVFZSA-N 0 0 424.928 5.224 40 0 HKABRN CC(C)n1nccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257246223 569377306 /nfs/dbraw/zinc/37/73/06/569377306.db2.gz ITDHIIYRCMAUIA-IBGZPJMESA-N 0 0 412.921 5.064 40 0 HKABRN CC(C)n1nccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257246224 569377312 /nfs/dbraw/zinc/37/73/12/569377312.db2.gz ITDHIIYRCMAUIA-LJQANCHMSA-N 0 0 412.921 5.064 40 0 HKABRN CC1=C(C)C[C@H](C(=O)N2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)CC1 ZINC000257247130 569377220 /nfs/dbraw/zinc/37/72/20/569377220.db2.gz IXQUSIGKEVPWAY-HSZRJFAPSA-N 0 0 406.545 5.654 40 0 HKABRN CC1=C(C)C[C@@H](C(=O)N2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)CC1 ZINC000257247131 569377314 /nfs/dbraw/zinc/37/73/14/569377314.db2.gz IXQUSIGKEVPWAY-QHCPKHFHSA-N 0 0 406.545 5.654 40 0 HKABRN COCCC(=O)N[C@]1(C)C[C@H](c2cccc(F)c2F)O[C@H](c2cccc(Cl)c2)C1 ZINC000257247341 569377301 /nfs/dbraw/zinc/37/73/01/569377301.db2.gz IYOGMCFRMXUEPF-JQVVWYNYSA-N 0 0 423.887 5.122 40 0 HKABRN Cc1ccccc1OCC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257247513 569377283 /nfs/dbraw/zinc/37/72/83/569377283.db2.gz IZIBAMHIRPRLOC-IBGZPJMESA-N 0 0 424.928 5.012 40 0 HKABRN Cc1ccccc1OCC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257247514 569377242 /nfs/dbraw/zinc/37/72/42/569377242.db2.gz IZIBAMHIRPRLOC-LJQANCHMSA-N 0 0 424.928 5.012 40 0 HKABRN CC(C)C(=O)N[C@]1(C)C[C@H](c2cccc(Cl)c2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257247906 569377305 /nfs/dbraw/zinc/37/73/05/569377305.db2.gz JBCJBANUDVWRNG-VWPQPMDRSA-N 0 0 406.353 6.117 40 0 HKABRN CC(=O)N[C@]1(C)C[C@H](c2cccc(C(F)(F)F)c2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257248177 569377303 /nfs/dbraw/zinc/37/73/03/569377303.db2.gz JCMGHFAGCVELND-ZCNNSNEGSA-N 0 0 411.851 5.846 40 0 HKABRN CCC[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(CCNC(=O)OC(C)(C)C)ccc1OC2(C)C ZINC000257248533 569377284 /nfs/dbraw/zinc/37/72/84/569377284.db2.gz JEBSKGHXMGJCGH-QFUCXCTJSA-N 0 0 403.563 5.561 40 0 HKABRN O=C(Cc1ccc(O)cc1)N1CCCC[C@H]1c1ccc(Cc2ccccc2Cl)nc1 ZINC000257248652 569377245 /nfs/dbraw/zinc/37/72/45/569377245.db2.gz JEPYTPSNEOLZIK-DEOSSOPVSA-N 0 0 420.940 5.328 40 0 HKABRN O=C(Cc1ccc(O)cc1)N1CCCC[C@@H]1c1ccc(Cc2ccccc2Cl)nc1 ZINC000257248653 569377222 /nfs/dbraw/zinc/37/72/22/569377222.db2.gz JEPYTPSNEOLZIK-XMMPIXPASA-N 0 0 420.940 5.328 40 0 HKABRN CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H]3CC=CCC3)CC2)n1 ZINC000257250207 569377294 /nfs/dbraw/zinc/37/72/94/569377294.db2.gz JLNMDEBXKTUQNP-BVSLBCMMSA-N 0 0 418.585 5.408 40 0 HKABRN CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CC=CCC3)CC2)n1 ZINC000257250208 569377274 /nfs/dbraw/zinc/37/72/74/569377274.db2.gz JLNMDEBXKTUQNP-CEMLEFRQSA-N 0 0 418.585 5.408 40 0 HKABRN CCCc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000257250845 569377290 /nfs/dbraw/zinc/37/72/90/569377290.db2.gz JOGYQIHQKAIFQK-UHFFFAOYSA-N 0 0 417.579 5.052 40 0 HKABRN O=C(c1nccc2ccccc21)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257251303 569377217 /nfs/dbraw/zinc/37/72/17/569377217.db2.gz JQEXEYPEKAFJDJ-NRFANRHFSA-N 0 0 417.896 5.444 40 0 HKABRN O=C(c1nccc2ccccc21)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257251304 569377302 /nfs/dbraw/zinc/37/73/02/569377302.db2.gz JQEXEYPEKAFJDJ-OAQYLSRUSA-N 0 0 417.896 5.444 40 0 HKABRN CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C[C@@H]3C=CCC3)CC2)n1 ZINC000257251481 569377276 /nfs/dbraw/zinc/37/72/76/569377276.db2.gz JQYNDBPUWAMTQW-KCZVDYSFSA-N 0 0 418.585 5.408 40 0 HKABRN CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C[C@H]3C=CCC3)CC2)n1 ZINC000257251482 569377226 /nfs/dbraw/zinc/37/72/26/569377226.db2.gz JQYNDBPUWAMTQW-ONTIZHBOSA-N 0 0 418.585 5.408 40 0 HKABRN CC(=O)N[C@@]1(C)C[C@H](c2ccc(Br)cc2)O[C@H](c2ccc(F)cc2)C1 ZINC000257251544 569377295 /nfs/dbraw/zinc/37/72/95/569377295.db2.gz JREMTDOYDBMYAA-AABGKKOBSA-N 0 0 406.295 5.076 40 0 HKABRN COC(=O)CCc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccccc3)CC[C@@H]1C(C)(C)O2 ZINC000257251591 569377289 /nfs/dbraw/zinc/37/72/89/569377289.db2.gz JRKHMEKLKSRWKG-UWDQQESISA-N 0 0 408.538 5.432 40 0 HKABRN O=C(c1n[nH]c2ccccc21)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257251632 569377247 /nfs/dbraw/zinc/37/72/47/569377247.db2.gz JRNMYMKVVRSBQO-FQEVSTJZSA-N 0 0 420.900 5.163 40 0 HKABRN O=C(c1n[nH]c2ccccc21)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257251633 569377291 /nfs/dbraw/zinc/37/72/91/569377291.db2.gz JRNMYMKVVRSBQO-HXUWFJFHSA-N 0 0 420.900 5.163 40 0 HKABRN CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)CC(C)(C)C)CC1 ZINC000257251866 569377282 /nfs/dbraw/zinc/37/72/82/569377282.db2.gz JSPBEZJXEYLDKW-UHFFFAOYSA-N 0 0 420.597 5.077 40 0 HKABRN CCCC(=O)N1CCC(Cc2cccc(-c3ccccc3C)c2)(C(=O)NC(C)C)CC1 ZINC000257252098 569377237 /nfs/dbraw/zinc/37/72/37/569377237.db2.gz JTOGWSXSAHNTHZ-UHFFFAOYSA-N 0 0 420.597 5.138 40 0 HKABRN CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000257254396 569377255 /nfs/dbraw/zinc/37/72/55/569377255.db2.gz KCWRSAPTWGQNEW-UHFFFAOYSA-N 0 0 409.917 5.281 40 0 HKABRN Cc1ccc2cc(C(=O)N3CCC[C@H](c4ncc(Cc5cccc(F)c5)o4)C3)[nH]c2c1 ZINC000257254641 569377271 /nfs/dbraw/zinc/37/72/71/569377271.db2.gz KEBQCDDAGYURNB-IBGZPJMESA-N 0 0 417.484 5.214 40 0 HKABRN Cc1ccc2cc(C(=O)N3CCC[C@@H](c4ncc(Cc5cccc(F)c5)o4)C3)[nH]c2c1 ZINC000257254642 569377296 /nfs/dbraw/zinc/37/72/96/569377296.db2.gz KEBQCDDAGYURNB-LJQANCHMSA-N 0 0 417.484 5.214 40 0 HKABRN CC(C)C(=O)N[C@]1(C)C[C@H](c2ccc(F)c(F)c2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257256589 569377445 /nfs/dbraw/zinc/37/74/45/569377445.db2.gz KMCVMCRIWQCYIQ-VWPQPMDRSA-N 0 0 407.888 5.742 40 0 HKABRN Cc1cc(CCCC(=O)N2CCC[C@@H]2c2ccc(Cc3ccccc3)cn2)ccc1F ZINC000257257171 569377388 /nfs/dbraw/zinc/37/73/88/569377388.db2.gz KOIVKHGNMSHSTH-AREMUKBSSA-N 0 0 416.540 5.806 40 0 HKABRN Cc1cc(CCCC(=O)N2CCC[C@H]2c2ccc(Cc3ccccc3)cn2)ccc1F ZINC000257257172 569377356 /nfs/dbraw/zinc/37/73/56/569377356.db2.gz KOIVKHGNMSHSTH-SANMLTNESA-N 0 0 416.540 5.806 40 0 HKABRN COc1ccccc1-c1ccccc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(C)=O ZINC000257258800 569377379 /nfs/dbraw/zinc/37/73/79/569377379.db2.gz KVPKGMAXDBENPZ-HZJIUQSWSA-N 0 0 419.565 5.381 40 0 HKABRN COc1ccccc1-c1ccccc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(C)=O ZINC000257258801 569377381 /nfs/dbraw/zinc/37/73/81/569377381.db2.gz KVPKGMAXDBENPZ-YENLWOSISA-N 0 0 419.565 5.381 40 0 HKABRN CCC(CC)C(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2cc(C)no2)CC1 ZINC000257259027 569377398 /nfs/dbraw/zinc/37/73/98/569377398.db2.gz KWNCXLLNXMRMGI-UAPYVXQJSA-N 0 0 412.578 5.390 40 0 HKABRN COc1cccc(-c2cccc(CC3(C(=O)NCCC4CCCC4)CCOCC3)c2)c1 ZINC000257260730 569377438 /nfs/dbraw/zinc/37/74/38/569377438.db2.gz LECCGNVLGZOIFA-UHFFFAOYSA-N 0 0 421.581 5.398 40 0 HKABRN O=C(NCC[C@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccccc1 ZINC000257260774 569377371 /nfs/dbraw/zinc/37/73/71/569377371.db2.gz LEHHCKSYLFRHGA-HSZRJFAPSA-N 0 0 412.533 5.168 40 0 HKABRN O=C(NCC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccccc1 ZINC000257260775 569377429 /nfs/dbraw/zinc/37/74/29/569377429.db2.gz LEHHCKSYLFRHGA-QHCPKHFHSA-N 0 0 412.533 5.168 40 0 HKABRN Cc1nc(C)c(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)s1 ZINC000257261895 569377384 /nfs/dbraw/zinc/37/73/84/569377384.db2.gz LJFSMPADOJKLJP-INIZCTEOSA-N 0 0 415.946 5.012 40 0 HKABRN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)s1 ZINC000257261896 569377423 /nfs/dbraw/zinc/37/74/23/569377423.db2.gz LJFSMPADOJKLJP-MRXNPFEDSA-N 0 0 415.946 5.012 40 0 HKABRN CC(C)C(=O)N[C@]1(C)C[C@H](c2ccc(F)cc2F)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257261993 569377400 /nfs/dbraw/zinc/37/74/00/569377400.db2.gz LJPAFAQYWPKBDH-VWPQPMDRSA-N 0 0 407.888 5.742 40 0 HKABRN C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccccc1Cl)C[C@]2(C)NC(=O)c1ccc(F)cc1 ZINC000257262198 569377416 /nfs/dbraw/zinc/37/74/16/569377416.db2.gz LKOFXAMWCDBOPT-GMQKADSYSA-N 0 0 415.936 5.934 40 0 HKABRN CCCC(=O)N[C@@]1(C)C[C@@H](c2cccc(Br)c2O)O[C@H]2C[C@@H](C)CC[C@@H]21 ZINC000257262269 569377439 /nfs/dbraw/zinc/37/74/39/569377439.db2.gz LKTDAQDOINERTM-KBBVGDAESA-N 0 0 424.379 5.096 40 0 HKABRN Cc1cccc2[nH]c(C(=O)N3CCC[C@@H](c4ncc(Cc5cccc(F)c5)o4)C3)cc21 ZINC000257262514 569377422 /nfs/dbraw/zinc/37/74/22/569377422.db2.gz LLSAPSPKEHBSEV-GOSISDBHSA-N 0 0 417.484 5.214 40 0 HKABRN Cc1cccc2[nH]c(C(=O)N3CCC[C@H](c4ncc(Cc5cccc(F)c5)o4)C3)cc21 ZINC000257262515 569377404 /nfs/dbraw/zinc/37/74/04/569377404.db2.gz LLSAPSPKEHBSEV-SFHVURJKSA-N 0 0 417.484 5.214 40 0 HKABRN Cc1scc(C(=O)N2CCCC[C@H]2c2nnc(-c3nccc4ccccc43)o2)c1C ZINC000257262826 569377434 /nfs/dbraw/zinc/37/74/34/569377434.db2.gz LNBSMZTWBWYZRQ-IBGZPJMESA-N 0 0 418.522 5.331 40 0 HKABRN Cc1scc(C(=O)N2CCCC[C@@H]2c2nnc(-c3nccc4ccccc43)o2)c1C ZINC000257262827 569377435 /nfs/dbraw/zinc/37/74/35/569377435.db2.gz LNBSMZTWBWYZRQ-LJQANCHMSA-N 0 0 418.522 5.331 40 0 HKABRN CC(=O)N[C@@]1(C)C[C@H](c2cccc(Br)c2)O[C@H](c2ccc(F)cc2)C1 ZINC000257263823 569377412 /nfs/dbraw/zinc/37/74/12/569377412.db2.gz LRQGSWYOWTTZSP-XUVXKRRUSA-N 0 0 406.295 5.076 40 0 HKABRN Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2C(=O)c2n[nH]c3c2CCCC3)n1 ZINC000257264242 569377441 /nfs/dbraw/zinc/37/74/41/569377441.db2.gz LTOASVONFBHPLH-HSZRJFAPSA-N 0 0 418.516 5.165 40 0 HKABRN Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCCN2C(=O)c2n[nH]c3c2CCCC3)n1 ZINC000257264243 569377395 /nfs/dbraw/zinc/37/73/95/569377395.db2.gz LTOASVONFBHPLH-QHCPKHFHSA-N 0 0 418.516 5.165 40 0 HKABRN CC(C)C(=O)N[C@@]1(C)C[C@H](c2cccc(Oc3ncccn3)c2)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257264777 569377386 /nfs/dbraw/zinc/37/73/86/569377386.db2.gz LVZOEDQWRVIMRO-JWMUORBZSA-N 0 0 423.557 5.066 40 0 HKABRN Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3cc(C(C)(C)C)nn3C)C2)n1 ZINC000257265169 569377424 /nfs/dbraw/zinc/37/74/24/569377424.db2.gz LXPQKWHPRYIHNX-FQEVSTJZSA-N 0 0 416.569 5.108 40 0 HKABRN Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)c3cc(C(C)(C)C)nn3C)C2)n1 ZINC000257265170 569377428 /nfs/dbraw/zinc/37/74/28/569377428.db2.gz LXPQKWHPRYIHNX-HXUWFJFHSA-N 0 0 416.569 5.108 40 0 HKABRN CC(C)C(=O)N[C@]1(C)C[C@H](c2cc(F)c(F)cc2F)O[C@H](c2ccc(F)cc2)C1 ZINC000257265919 569377430 /nfs/dbraw/zinc/37/74/30/569377430.db2.gz MAWSXKKUALBIQA-VWPQPMDRSA-N 0 0 409.423 5.367 40 0 HKABRN CN(C)C(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)CC(C)(C)C)CC1 ZINC000257266202 569377417 /nfs/dbraw/zinc/37/74/17/569377417.db2.gz MBYYZAZRGFEIEK-UHFFFAOYSA-N 0 0 420.597 5.029 40 0 HKABRN CCC(=O)N[C@]1(C)C[C@H](c2ccc(NC(C)=O)cc2)O[C@H](c2cccc(Cl)c2)C1 ZINC000257268145 569377446 /nfs/dbraw/zinc/37/74/46/569377446.db2.gz MKKRNZKILGBYMY-FUPPJEDESA-N 0 0 414.933 5.176 40 0 HKABRN C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccc(F)c(Cl)c1)C[C@]2(C)NC(=O)C1CCCC1 ZINC000257269613 569377522 /nfs/dbraw/zinc/37/75/22/569377522.db2.gz MQRHTMAEKGMVEB-SLHNMUTGSA-N 0 0 407.957 5.810 40 0 HKABRN CC(C)n1nccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257269966 569377513 /nfs/dbraw/zinc/37/75/13/569377513.db2.gz MSFOOSCQQTUTHX-IBGZPJMESA-N 0 0 412.921 5.064 40 0 HKABRN CC(C)n1nccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257269967 569377540 /nfs/dbraw/zinc/37/75/40/569377540.db2.gz MSFOOSCQQTUTHX-LJQANCHMSA-N 0 0 412.921 5.064 40 0 HKABRN O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257269994 569377575 /nfs/dbraw/zinc/37/75/75/569377575.db2.gz MSHZCRPZDSOAQO-JOCHJYFZSA-N 0 0 417.896 5.444 40 0 HKABRN O=C(c1ccc2ccccc2n1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257269995 569377530 /nfs/dbraw/zinc/37/75/30/569377530.db2.gz MSHZCRPZDSOAQO-QFIPXVFZSA-N 0 0 417.896 5.444 40 0 HKABRN Cc1ncsc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257270827 569377554 /nfs/dbraw/zinc/37/75/54/569377554.db2.gz MVVCLLXYIITRNS-KRWDZBQOSA-N 0 0 401.919 5.051 40 0 HKABRN Cc1ncsc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257270828 569377557 /nfs/dbraw/zinc/37/75/57/569377557.db2.gz MVVCLLXYIITRNS-QGZVFWFLSA-N 0 0 401.919 5.051 40 0 HKABRN C[C@@]1(NC(=O)C2CCCC2)C[C@H](c2cccc(F)c2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257271044 569377489 /nfs/dbraw/zinc/37/74/89/569377489.db2.gz MWOWFNATDDHELM-ZDXQCDESSA-N 0 0 415.936 6.137 40 0 HKABRN O=C(c1nccc2ccccc21)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257271424 569377576 /nfs/dbraw/zinc/37/75/76/569377576.db2.gz MYGWVDXDYCIRNO-JOCHJYFZSA-N 0 0 415.468 5.320 40 0 HKABRN O=C(c1nccc2ccccc21)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257271425 569377573 /nfs/dbraw/zinc/37/75/73/569377573.db2.gz MYGWVDXDYCIRNO-QFIPXVFZSA-N 0 0 415.468 5.320 40 0 HKABRN O=C(c1ccc2ccccc2n1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257271740 569377574 /nfs/dbraw/zinc/37/75/74/569377574.db2.gz MZPXMJAKQZUKJA-HSZRJFAPSA-N 0 0 415.468 5.320 40 0 HKABRN O=C(c1ccc2ccccc2n1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257271741 569377509 /nfs/dbraw/zinc/37/75/09/569377509.db2.gz MZPXMJAKQZUKJA-QHCPKHFHSA-N 0 0 415.468 5.320 40 0 HKABRN COc1ccccc1CC(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257271887 569377504 /nfs/dbraw/zinc/37/75/04/569377504.db2.gz NAFJMFJABOEHPV-NRFANRHFSA-N 0 0 424.928 5.224 40 0 HKABRN COc1ccccc1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257271888 569377562 /nfs/dbraw/zinc/37/75/62/569377562.db2.gz NAFJMFJABOEHPV-OAQYLSRUSA-N 0 0 424.928 5.224 40 0 HKABRN O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@H](Cc2ccc3ccoc3c2)CC1 ZINC000257271932 569377542 /nfs/dbraw/zinc/37/75/42/569377542.db2.gz NAJUXJCTAGUXQE-FQEVSTJZSA-N 0 0 413.521 5.163 40 0 HKABRN O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@@H](Cc2ccc3ccoc3c2)CC1 ZINC000257271933 569377567 /nfs/dbraw/zinc/37/75/67/569377567.db2.gz NAJUXJCTAGUXQE-HXUWFJFHSA-N 0 0 413.521 5.163 40 0 HKABRN C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccccc1Cl)C[C@]2(C)NC(=O)Cc1ccccc1 ZINC000257272656 569377556 /nfs/dbraw/zinc/37/75/56/569377556.db2.gz NDIANKUMGAVXJE-VTBHLOPZSA-N 0 0 411.973 5.724 40 0 HKABRN COCCC(=O)N[C@]1(C)C[C@H](c2ccc(F)c(F)c2)O[C@H](c2cccc(Cl)c2)C1 ZINC000257272706 569377507 /nfs/dbraw/zinc/37/75/07/569377507.db2.gz NDMLNMHVUTVBIN-VWPQPMDRSA-N 0 0 423.887 5.122 40 0 HKABRN Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCCC4CCCC4)CCOCC3)c2)c1 ZINC000257273187 569377516 /nfs/dbraw/zinc/37/75/16/569377516.db2.gz NFOWZNUODWGTKS-UHFFFAOYSA-N 0 0 419.609 6.006 40 0 HKABRN O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257273587 569377564 /nfs/dbraw/zinc/37/75/64/569377564.db2.gz NHHFSWJVNFAVCH-NRFANRHFSA-N 0 0 423.875 5.517 40 0 HKABRN O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257273588 569377565 /nfs/dbraw/zinc/37/75/65/569377565.db2.gz NHHFSWJVNFAVCH-OAQYLSRUSA-N 0 0 423.875 5.517 40 0 HKABRN O=C(c1ccccc1)N1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000257273907 569377570 /nfs/dbraw/zinc/37/75/70/569377570.db2.gz NISHHKFISUVSTC-UHFFFAOYSA-N 0 0 424.466 5.711 40 0 HKABRN COCCC(=O)N[C@]1(C)C[C@H](c2cc(F)cc(F)c2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257274736 569377549 /nfs/dbraw/zinc/37/75/49/569377549.db2.gz NMKFWDKFGKVDCQ-VWPQPMDRSA-N 0 0 423.887 5.122 40 0 HKABRN CC(C)C(=O)N[C@]1(C)C[C@H](c2ccc(C(F)(F)F)cc2)O[C@H](c2ccc(F)cc2)C1 ZINC000257275372 569377478 /nfs/dbraw/zinc/37/74/78/569377478.db2.gz NPAZRRSTRIXRPX-RZUBCFFCSA-N 0 0 423.450 5.968 40 0 HKABRN Clc1ccc2[nH]c(CN3CCC(c4cccc(Nc5ccccn5)n4)CC3)nc2c1 ZINC000257276021 569377481 /nfs/dbraw/zinc/37/74/81/569377481.db2.gz NSBBYGQLEPUBMB-UHFFFAOYSA-N 0 0 418.932 5.130 40 0 HKABRN Cc1ccc2c(c1)oc1c2CC(C)(C)[C@H]2CC3(CCN(C(=O)C4CC4)CC3)CO[C@H]12 ZINC000257276732 569377561 /nfs/dbraw/zinc/37/75/61/569377561.db2.gz NUWUGLHFDBIZRJ-REWPJTCUSA-N 0 0 407.554 5.420 40 0 HKABRN COC(=O)CCc1ccc2c(c1)[C@H]1O[C@@H](Cc3ccc(F)cc3)CC[C@@H]1C(C)(C)O2 ZINC000257277381 569377533 /nfs/dbraw/zinc/37/75/33/569377533.db2.gz NXTPTNUYMXOILQ-NHCICSSKSA-N 0 0 412.501 5.181 40 0 HKABRN CC(C)c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)on1 ZINC000257278877 569377536 /nfs/dbraw/zinc/37/75/36/569377536.db2.gz OEBNWTRYUXSZKB-IBGZPJMESA-N 0 0 413.905 5.398 40 0 HKABRN CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)on1 ZINC000257278878 569377491 /nfs/dbraw/zinc/37/74/91/569377491.db2.gz OEBNWTRYUXSZKB-LJQANCHMSA-N 0 0 413.905 5.398 40 0 HKABRN Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C3CCCC3)CC2)on1 ZINC000257279979 569377621 /nfs/dbraw/zinc/37/76/21/569377621.db2.gz OIZJKTLLYPJKKZ-IYARVYRRSA-N 0 0 410.562 5.144 40 0 HKABRN CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@]3(C2)[C@H]1NC(=O)CCc1ccccc1 ZINC000257280391 569377674 /nfs/dbraw/zinc/37/76/74/569377674.db2.gz OKQRIBAIJNGHOC-USNSARJJSA-N 0 0 403.566 5.318 40 0 HKABRN COc1cccc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3cccc(Cl)c3)O2)c1F ZINC000257281181 569377689 /nfs/dbraw/zinc/37/76/89/569377689.db2.gz OOAFNVJTLBWXSY-MZKRTTBSSA-N 0 0 419.924 5.611 40 0 HKABRN Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)c3csc(C)c3C)CC2)on1 ZINC000257281754 569377708 /nfs/dbraw/zinc/37/77/08/569377708.db2.gz OQVXEZQLERAKFC-IYARVYRRSA-N 0 0 424.570 5.131 40 0 HKABRN CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C(c4ccccc4)c4ccccc4)OCC[C@@]31C2 ZINC000257282035 569377700 /nfs/dbraw/zinc/37/77/00/569377700.db2.gz OSASLMOYXAWAMF-NMKWPLBGSA-N 0 0 403.566 5.165 40 0 HKABRN CC(C)C(=O)N[C@]1(C)C[C@H](c2ccc(F)c(Cl)c2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257282295 569377659 /nfs/dbraw/zinc/37/76/59/569377659.db2.gz OTEAORVMZBYSJY-VWPQPMDRSA-N 0 0 424.343 6.256 40 0 HKABRN O=C(NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc43)o2)CC1)C1CCCCC1 ZINC000257282486 569377634 /nfs/dbraw/zinc/37/76/34/569377634.db2.gz OTXVZPCPAXMMRJ-IRJFHVNHSA-N 0 0 418.541 5.255 40 0 HKABRN CC(=O)N[C@]1(C)C[C@H](c2ccc(Br)cc2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257283223 569377666 /nfs/dbraw/zinc/37/76/66/569377666.db2.gz OXHIWORCKFCZCX-HSALFYBXSA-N 0 0 422.750 5.590 40 0 HKABRN Cc1noc(C)c1CCC(=O)N1CCC[C@]2(CO[C@@H](c3ccccc3)[C@H](C(C)C)C2)C1 ZINC000257283613 569377696 /nfs/dbraw/zinc/37/76/96/569377696.db2.gz OZACGULNPDCROT-AYRHNUGRSA-N 0 0 424.585 5.267 40 0 HKABRN CCOc1ccccc1Cc1ccc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)nc1 ZINC000257284879 569377613 /nfs/dbraw/zinc/37/76/13/569377613.db2.gz PERZELSJDJFIHF-HSZRJFAPSA-N 0 0 406.570 5.357 40 0 HKABRN CCOc1ccccc1Cc1ccc([C@H]2CCCN(C(=O)C3CCCCC3)C2)nc1 ZINC000257284880 569377688 /nfs/dbraw/zinc/37/76/88/569377688.db2.gz PERZELSJDJFIHF-QHCPKHFHSA-N 0 0 406.570 5.357 40 0 HKABRN Cc1ccc(C(=O)N2CCC[C@]3(CO[C@@H](c4ccc(F)cc4)[C@H](C(C)C)C3)C2)cn1 ZINC000257285130 569377610 /nfs/dbraw/zinc/37/76/10/569377610.db2.gz PFULSJSKHJZLTH-SONWIMMPSA-N 0 0 410.533 5.185 40 0 HKABRN C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccc(Cl)cc1)C[C@]2(C)NC(=O)c1ccc(F)cc1 ZINC000257285868 569377701 /nfs/dbraw/zinc/37/77/01/569377701.db2.gz PJGMLXMKOZNOHY-XKWXGUCDSA-N 0 0 415.936 5.934 40 0 HKABRN C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1cccc(Cl)c1Cl)C[C@]2(C)NC(=O)C1CCCC1 ZINC000257286040 569377629 /nfs/dbraw/zinc/37/76/29/569377629.db2.gz PJYVYKOYQVFSCR-JYCQOMSASA-N 0 0 424.412 6.325 40 0 HKABRN CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C3CCCCC3)CC2)n1 ZINC000257286224 569377605 /nfs/dbraw/zinc/37/76/05/569377605.db2.gz PKTYBYJRRNZIMW-XUTJKUGGSA-N 0 0 420.601 5.632 40 0 HKABRN O=C(c1ccc2[nH]ccc2c1)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000257286467 569377656 /nfs/dbraw/zinc/37/76/56/569377656.db2.gz PLRODAPIWLSHKD-FQEVSTJZSA-N 0 0 415.924 5.903 40 0 HKABRN O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000257286468 569377655 /nfs/dbraw/zinc/37/76/55/569377655.db2.gz PLRODAPIWLSHKD-HXUWFJFHSA-N 0 0 415.924 5.903 40 0 HKABRN O=C(c1cc2ccccc2o1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257286584 569377678 /nfs/dbraw/zinc/37/76/78/569377678.db2.gz PMDKMRRQTGFVCC-GOSISDBHSA-N 0 0 420.896 5.685 40 0 HKABRN O=C(c1cc2ccccc2o1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257286585 569377618 /nfs/dbraw/zinc/37/76/18/569377618.db2.gz PMDKMRRQTGFVCC-SFHVURJKSA-N 0 0 420.896 5.685 40 0 HKABRN CC(C)C(=O)N[C@@]1(C)C[C@H](c2ccc(F)c(Cl)c2)O[C@H](c2ccc(F)cc2)C1 ZINC000257287069 569377631 /nfs/dbraw/zinc/37/76/31/569377631.db2.gz POJGDGVUWYHBOU-TUNNFDKTSA-N 0 0 407.888 5.742 40 0 HKABRN O=C1[C@H]2[C@H](C[C@H](c3cccs3)N2Cc2ccccc2Cl)CN1c1ccccc1 ZINC000257289295 569377690 /nfs/dbraw/zinc/37/76/90/569377690.db2.gz PXYMAPSXPUDPCA-NQSCKRDGSA-N 0 0 408.954 5.380 40 0 HKABRN CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3[C@H](C)c3ccncc3)cc2n1 ZINC000257289306 569377668 /nfs/dbraw/zinc/37/76/68/569377668.db2.gz PYAXCEDGKCRUTM-KDOFPFPSSA-N 0 0 403.452 5.165 40 0 HKABRN CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3[C@H](C)c3ccncc3)cc2n1 ZINC000257289307 569377646 /nfs/dbraw/zinc/37/76/46/569377646.db2.gz PYAXCEDGKCRUTM-RDTXWAMCSA-N 0 0 403.452 5.165 40 0 HKABRN Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1c1ccc(-c2cccc(Cl)c2)nc1 ZINC000257289432 569377699 /nfs/dbraw/zinc/37/76/99/569377699.db2.gz PYOFERJXKBDHBK-JOCHJYFZSA-N 0 0 409.917 5.303 40 0 HKABRN Cc1noc(C)c1CC(=O)N1CCCC[C@H]1c1ccc(-c2cccc(Cl)c2)nc1 ZINC000257289433 569377709 /nfs/dbraw/zinc/37/77/09/569377709.db2.gz PYOFERJXKBDHBK-QFIPXVFZSA-N 0 0 409.917 5.303 40 0 HKABRN COCCC(=O)N[C@]1(C)C[C@H](c2ccc(Cl)cc2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257290272 569377702 /nfs/dbraw/zinc/37/77/02/569377702.db2.gz QCFWGMSICBSMRQ-VTYHHJSWSA-N 0 0 422.352 5.498 40 0 HKABRN CC(C)c1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)on1 ZINC000257290317 569377706 /nfs/dbraw/zinc/37/77/06/569377706.db2.gz QCKFVXGBJHEGCR-INIZCTEOSA-N 0 0 413.905 5.050 40 0 HKABRN CC(C)c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)on1 ZINC000257290318 569377698 /nfs/dbraw/zinc/37/76/98/569377698.db2.gz QCKFVXGBJHEGCR-MRXNPFEDSA-N 0 0 413.905 5.050 40 0 HKABRN CC(=O)N[C@]1(C)C[C@H](c2ccc(Oc3ccccc3)cc2)O[C@H](c2ccc(F)cc2)C1 ZINC000257291236 569377695 /nfs/dbraw/zinc/37/76/95/569377695.db2.gz QGEYJDCZQJSCTJ-NXCFDTQHSA-N 0 0 419.496 6.106 40 0 HKABRN CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CC(C)(C)C)CC1 ZINC000257291425 569377789 /nfs/dbraw/zinc/37/77/89/569377789.db2.gz QGXDUMWBOIMTCX-UHFFFAOYSA-N 0 0 420.597 5.077 40 0 HKABRN C[C@@]1(NC(=O)C2CCCC2)C[C@H](c2ccc(Cl)cc2)O[C@H](c2ccc(F)cc2)C1 ZINC000257291543 569377731 /nfs/dbraw/zinc/37/77/31/569377731.db2.gz QHLWUIQJIPQRNH-AOHZBQACSA-N 0 0 415.936 6.137 40 0 HKABRN COc1cccc([C@H]2C[C@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(Cl)cc3)O2)c1O ZINC000257292053 569377746 /nfs/dbraw/zinc/37/77/46/569377746.db2.gz QJTKCIBYSSXEKW-MIZPHKNDSA-N 0 0 417.933 5.178 40 0 HKABRN COc1cccc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(Cl)cc3)O2)c1O ZINC000257292054 569377787 /nfs/dbraw/zinc/37/77/87/569377787.db2.gz QJTKCIBYSSXEKW-MZKRTTBSSA-N 0 0 417.933 5.178 40 0 HKABRN CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C3CCCC3)CC2)n1 ZINC000257292207 569377831 /nfs/dbraw/zinc/37/78/31/569377831.db2.gz QKLRLFDAZOISQQ-KESTWPANSA-N 0 0 406.574 5.242 40 0 HKABRN CCC(=O)N[C@@]1(C)C[C@H](c2cccc(OC)c2F)O[C@H](c2cccc(Cl)c2)C1 ZINC000257292743 569377782 /nfs/dbraw/zinc/37/77/82/569377782.db2.gz QMUFYAREZUSJGC-NNMXDRDESA-N 0 0 405.897 5.365 40 0 HKABRN CN(C)c1ccc(C(=O)N[C@H]2C(C)(C)[C@@H]3C[C@@H]4[C@@H](c5ccccc5)OCC[C@@]42C3)cc1 ZINC000257293308 569377846 /nfs/dbraw/zinc/37/78/46/569377846.db2.gz QOYORGRDLPCOFF-WICZROIOSA-N 0 0 418.581 5.065 40 0 HKABRN Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCCCC4)C2)n1 ZINC000257294164 569377836 /nfs/dbraw/zinc/37/78/36/569377836.db2.gz QSWAHZKPNMQBMB-FQEVSTJZSA-N 0 0 414.553 5.069 40 0 HKABRN Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCCCC4)C2)n1 ZINC000257294165 569377832 /nfs/dbraw/zinc/37/78/32/569377832.db2.gz QSWAHZKPNMQBMB-HXUWFJFHSA-N 0 0 414.553 5.069 40 0 HKABRN Cc1cc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5cccs5)n4)C3)ccc2o1 ZINC000257294833 569377780 /nfs/dbraw/zinc/37/77/80/569377780.db2.gz QVXPHJMIYMTGSE-GOSISDBHSA-N 0 0 402.519 5.885 40 0 HKABRN Cc1cc2cc(C(=O)N3CCC[C@H](c4cccc(-c5cccs5)n4)C3)ccc2o1 ZINC000257294834 569377833 /nfs/dbraw/zinc/37/78/33/569377833.db2.gz QVXPHJMIYMTGSE-SFHVURJKSA-N 0 0 402.519 5.885 40 0 HKABRN COc1ccc([C@H]2C[C@](C)(NC(=O)C(C)C)C[C@@H](c3cccc(Cl)c3)O2)c(F)c1 ZINC000257295490 569377823 /nfs/dbraw/zinc/37/78/23/569377823.db2.gz QYMRVXICSOHGHZ-QZNHQXDQSA-N 0 0 419.924 5.611 40 0 HKABRN COc1ccc(CC(=O)N2CCCC[C@@H]2c2ccc(Cc3ccc(F)cc3)nc2)cc1 ZINC000257295759 569377793 /nfs/dbraw/zinc/37/77/93/569377793.db2.gz QZSBUKZFOVVGPH-RUZDIDTESA-N 0 0 418.512 5.116 40 0 HKABRN COc1ccc(CC(=O)N2CCCC[C@H]2c2ccc(Cc3ccc(F)cc3)nc2)cc1 ZINC000257295760 569377828 /nfs/dbraw/zinc/37/78/28/569377828.db2.gz QZSBUKZFOVVGPH-VWLOTQADSA-N 0 0 418.512 5.116 40 0 HKABRN CCC(=O)N[C@@]1(C)C[C@H](c2cc(Cl)ccc2O)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257295794 569377748 /nfs/dbraw/zinc/37/77/48/569377748.db2.gz QZWQLNPXPQYJRV-QKNQBKEWSA-N 0 0 408.325 5.577 40 0 HKABRN CCC(=O)N[C@]1(C)C[C@H](c2cc(Cl)ccc2O)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257295795 569377760 /nfs/dbraw/zinc/37/77/60/569377760.db2.gz QZWQLNPXPQYJRV-ZVDOUQERSA-N 0 0 408.325 5.577 40 0 HKABRN Cc1ccc(O)c([C@H]2C[C@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(Cl)cc3)O2)c1 ZINC000257296507 569377805 /nfs/dbraw/zinc/37/78/05/569377805.db2.gz RDDWBNMIQXCWCM-QZNHQXDQSA-N 0 0 401.934 5.478 40 0 HKABRN Cc1ccc(O)c([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(Cl)cc3)O2)c1 ZINC000257296508 569377841 /nfs/dbraw/zinc/37/78/41/569377841.db2.gz RDDWBNMIQXCWCM-XJUOHMSHSA-N 0 0 401.934 5.478 40 0 HKABRN Cc1ccccc1Cc1ccc(C2CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)CC2)nc1 ZINC000257299086 569377837 /nfs/dbraw/zinc/37/78/37/569377837.db2.gz RORNNXNELLHSBY-RUZDIDTESA-N 0 0 402.582 5.823 40 0 HKABRN Cc1ccccc1Cc1ccc(C2CCN(C(=O)[C@H]3CCC(C)=C(C)C3)CC2)nc1 ZINC000257299087 569377840 /nfs/dbraw/zinc/37/78/40/569377840.db2.gz RORNNXNELLHSBY-VWLOTQADSA-N 0 0 402.582 5.823 40 0 HKABRN O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1cccc2ncccc21 ZINC000257299126 569377818 /nfs/dbraw/zinc/37/78/18/569377818.db2.gz ROVLGWSZOZEPPL-WKILWMFISA-N 0 0 418.522 5.050 40 0 HKABRN O=C(N[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@H]2CCCC[C@H]12)C1CCCCC1 ZINC000257299749 569377785 /nfs/dbraw/zinc/37/77/85/569377785.db2.gz RRKLJHDRRQEHEQ-ANULTFPQSA-N 0 0 409.492 5.791 40 0 HKABRN CC(C)c1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)on1 ZINC000257299901 569377851 /nfs/dbraw/zinc/37/78/51/569377851.db2.gz RSCPVVAAQLTMBJ-INIZCTEOSA-N 0 0 413.905 5.050 40 0 HKABRN CC(C)c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)on1 ZINC000257299902 569377827 /nfs/dbraw/zinc/37/78/27/569377827.db2.gz RSCPVVAAQLTMBJ-MRXNPFEDSA-N 0 0 413.905 5.050 40 0 HKABRN Cc1ncsc1C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257299942 569377799 /nfs/dbraw/zinc/37/77/99/569377799.db2.gz RSGVIODHFGZPEC-KRWDZBQOSA-N 0 0 401.919 5.051 40 0 HKABRN Cc1ncsc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257299943 569377984 /nfs/dbraw/zinc/37/79/84/569377984.db2.gz RSGVIODHFGZPEC-QGZVFWFLSA-N 0 0 401.919 5.051 40 0 HKABRN O[C@@H]1CCN(c2ccccc2F)C[C@H]1[C@H](Nc1ccccc1)c1ccc(F)c(F)c1 ZINC000257300472 569377996 /nfs/dbraw/zinc/37/79/96/569377996.db2.gz RUKXGWROKBZHDW-DQMJNTIXSA-N 0 0 412.455 5.145 40 0 HKABRN CC(C)CN1C(=O)N(c2cccc(F)c2)[C@H]2[C@@H]1CCCC[C@H]2c1cccc(Cl)c1 ZINC000257302327 569377987 /nfs/dbraw/zinc/37/79/87/569377987.db2.gz SCMQNAPIJRGUFP-RJGXRXQPSA-N 0 0 414.952 6.472 40 0 HKABRN O=C(NCCC1CCCC1)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257302998 569377982 /nfs/dbraw/zinc/37/79/82/569377982.db2.gz SFJDNGAHYJAEKW-UHFFFAOYSA-N 0 0 409.545 5.529 40 0 HKABRN CC(C)C(=O)N[C@]1(C)C[C@H](c2cccc(C(F)(F)F)c2)O[C@H](c2ccc(F)cc2)C1 ZINC000257303310 569377935 /nfs/dbraw/zinc/37/79/35/569377935.db2.gz SGRNLTYSUCKLOY-VWPQPMDRSA-N 0 0 423.450 5.968 40 0 HKABRN CC(C)C(=O)N[C@@]1(C)C[C@H](c2cc(Cl)ccc2O)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257304125 569377910 /nfs/dbraw/zinc/37/79/10/569377910.db2.gz SKEJMOQPFSYKDJ-TUNNFDKTSA-N 0 0 422.352 5.823 40 0 HKABRN CC(C)C(=O)N[C@@]1(C)C[C@H](c2cc(F)ccc2O)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257305553 569377980 /nfs/dbraw/zinc/37/79/80/569377980.db2.gz SQNHUUBGUKTYBC-TUNNFDKTSA-N 0 0 405.897 5.308 40 0 HKABRN CC(C)C(=O)N[C@]1(C)C[C@H](c2cc(F)ccc2O)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257305554 569377985 /nfs/dbraw/zinc/37/79/85/569377985.db2.gz SQNHUUBGUKTYBC-VWPQPMDRSA-N 0 0 405.897 5.308 40 0 HKABRN COc1ccccc1C(=O)N1CCC[C@H](c2cc(-c3ccc(F)cc3)cc(C)n2)C1 ZINC000257305570 569377983 /nfs/dbraw/zinc/37/79/83/569377983.db2.gz SQOPBQYBZMGTBZ-IBGZPJMESA-N 0 0 404.485 5.225 40 0 HKABRN COc1ccccc1C(=O)N1CCC[C@@H](c2cc(-c3ccc(F)cc3)cc(C)n2)C1 ZINC000257305571 569377967 /nfs/dbraw/zinc/37/79/67/569377967.db2.gz SQOPBQYBZMGTBZ-LJQANCHMSA-N 0 0 404.485 5.225 40 0 HKABRN Cc1cc2cc(C(=O)N3CCC[C@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc2o1 ZINC000257305934 569377978 /nfs/dbraw/zinc/37/79/78/569377978.db2.gz SSDXFVIGYRPJGA-FQEVSTJZSA-N 0 0 414.480 5.962 40 0 HKABRN Cc1cc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc2o1 ZINC000257305935 569377946 /nfs/dbraw/zinc/37/79/46/569377946.db2.gz SSDXFVIGYRPJGA-HXUWFJFHSA-N 0 0 414.480 5.962 40 0 HKABRN COc1cccc(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)c1 ZINC000257305970 569377969 /nfs/dbraw/zinc/37/79/69/569377969.db2.gz SSHVXZAFFYRVPI-JOCHJYFZSA-N 0 0 424.928 5.224 40 0 HKABRN COc1cccc(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)c1 ZINC000257305971 569377992 /nfs/dbraw/zinc/37/79/92/569377992.db2.gz SSHVXZAFFYRVPI-QFIPXVFZSA-N 0 0 424.928 5.224 40 0 HKABRN COc1ccccc1-c1ccc(CC2(C(=O)NC3CCCCC3)CCOCC2)cc1 ZINC000257306392 569377902 /nfs/dbraw/zinc/37/79/02/569377902.db2.gz SUCXMZBUWWKVQG-UHFFFAOYSA-N 0 0 407.554 5.150 40 0 HKABRN CCC(CC)C(=O)NC[C@H]1CC[C@H](c2nc(C3CC3)ncc2-c2cc(C)no2)CC1 ZINC000257306547 569377933 /nfs/dbraw/zinc/37/79/33/569377933.db2.gz SURVSAMFOPWPKR-SAABIXHNSA-N 0 0 410.562 5.144 40 0 HKABRN COc1cccc(C(=O)N2CCC[C@H](c3cc(-c4ccccc4)cc(C)n3)C2)c1OC ZINC000257306938 569377940 /nfs/dbraw/zinc/37/79/40/569377940.db2.gz SWQMZTIQQPXVNN-FQEVSTJZSA-N 0 0 416.521 5.094 40 0 HKABRN COc1cccc(C(=O)N2CCC[C@@H](c3cc(-c4ccccc4)cc(C)n3)C2)c1OC ZINC000257306939 569377977 /nfs/dbraw/zinc/37/79/77/569377977.db2.gz SWQMZTIQQPXVNN-HXUWFJFHSA-N 0 0 416.521 5.094 40 0 HKABRN O=C(c1nccc2ccccc21)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257307056 569377904 /nfs/dbraw/zinc/37/79/04/569377904.db2.gz SXAMXJKOVLYIMI-JOCHJYFZSA-N 0 0 415.468 5.320 40 0 HKABRN O=C(c1nccc2ccccc21)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257307057 569377950 /nfs/dbraw/zinc/37/79/50/569377950.db2.gz SXAMXJKOVLYIMI-QFIPXVFZSA-N 0 0 415.468 5.320 40 0 HKABRN O=C(NCCC1CCCC1)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257307309 569377997 /nfs/dbraw/zinc/37/79/97/569377997.db2.gz SYDDBTUVEZGYIG-UHFFFAOYSA-N 0 0 409.545 5.529 40 0 HKABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4cccc(OC)c4)C3)c2)cc1 ZINC000257307335 569377923 /nfs/dbraw/zinc/37/79/23/569377923.db2.gz SYFRAAVCYRTICV-NRFANRHFSA-N 0 0 416.521 5.094 40 0 HKABRN COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4cccc(OC)c4)C3)c2)cc1 ZINC000257307336 569377988 /nfs/dbraw/zinc/37/79/88/569377988.db2.gz SYFRAAVCYRTICV-OAQYLSRUSA-N 0 0 416.521 5.094 40 0 HKABRN COCCC(=O)N[C@]1(C)C[C@H](c2ccc(F)cc2Cl)O[C@H](c2ccc(F)cc2)C1 ZINC000257307649 569377993 /nfs/dbraw/zinc/37/79/93/569377993.db2.gz SZQWGIFMMUVDLK-VWPQPMDRSA-N 0 0 423.887 5.122 40 0 HKABRN CCOc1ccc(Cc2ccc([C@@H]3CCCN(C(=O)CC4CCCC4)C3)nc2)cc1 ZINC000257307780 569377998 /nfs/dbraw/zinc/37/79/98/569377998.db2.gz TUCISNVOPZOPOX-HSZRJFAPSA-N 0 0 406.570 5.357 40 0 HKABRN CCOc1ccc(Cc2ccc([C@H]3CCCN(C(=O)CC4CCCC4)C3)nc2)cc1 ZINC000257307781 569377900 /nfs/dbraw/zinc/37/79/00/569377900.db2.gz TUCISNVOPZOPOX-QHCPKHFHSA-N 0 0 406.570 5.357 40 0 HKABRN Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)c3cc(C)c(C)s3)CC2)on1 ZINC000257308706 569377960 /nfs/dbraw/zinc/37/79/60/569377960.db2.gz TXUCKDNKIRMNJF-IYARVYRRSA-N 0 0 424.570 5.131 40 0 HKABRN CC(C)C(=O)N[C@]1(C)C[C@H](c2cc(F)ccc2F)O[C@H](c2cccc(Cl)c2)C1 ZINC000257308999 569377975 /nfs/dbraw/zinc/37/79/75/569377975.db2.gz TZCKFGSCSUKCFO-VWPQPMDRSA-N 0 0 407.888 5.742 40 0 HKABRN COCCC(=O)N[C@]1(C)C[C@H](c2cccc(Cl)c2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257309124 569377938 /nfs/dbraw/zinc/37/79/38/569377938.db2.gz TZQMNEJIXBCENJ-VWPQPMDRSA-N 0 0 422.352 5.498 40 0 HKABRN CC(C)c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)on1 ZINC000257309759 569377999 /nfs/dbraw/zinc/37/79/99/569377999.db2.gz UCHCWHIUAWZGPG-IBGZPJMESA-N 0 0 413.905 5.398 40 0 HKABRN CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)on1 ZINC000257309760 569377917 /nfs/dbraw/zinc/37/79/17/569377917.db2.gz UCHCWHIUAWZGPG-LJQANCHMSA-N 0 0 413.905 5.398 40 0 HKABRN Clc1ccc(CN2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)nc1 ZINC000257309987 569377925 /nfs/dbraw/zinc/37/79/25/569377925.db2.gz UDFCZYHNLFZUBC-PZJWPPBQSA-N 0 0 419.352 5.283 40 0 HKABRN O=C(c1cc2ccccc2o1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257310420 569377963 /nfs/dbraw/zinc/37/79/63/569377963.db2.gz UEZWHPDQSWDFQB-GOSISDBHSA-N 0 0 420.896 5.685 40 0 HKABRN O=C(c1cc2ccccc2o1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257310421 569377906 /nfs/dbraw/zinc/37/79/06/569377906.db2.gz UEZWHPDQSWDFQB-SFHVURJKSA-N 0 0 420.896 5.685 40 0 HKABRN O=C(c1ccccc1-c1ccccc1)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 ZINC000257312146 569377953 /nfs/dbraw/zinc/37/79/53/569377953.db2.gz UMQSLZVXDWAGRX-JOCHJYFZSA-N 0 0 422.528 5.233 40 0 HKABRN O=C(c1ccccc1-c1ccccc1)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1 ZINC000257312147 569377965 /nfs/dbraw/zinc/37/79/65/569377965.db2.gz UMQSLZVXDWAGRX-QFIPXVFZSA-N 0 0 422.528 5.233 40 0 HKABRN Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CC3CCCCC3)CC2)n1 ZINC000257312636 569377989 /nfs/dbraw/zinc/37/79/89/569377989.db2.gz UOXBPPFLTFZUQL-AQYVVDRMSA-N 0 0 406.574 5.207 40 0 HKABRN CC(C)c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)on1 ZINC000257313325 569377976 /nfs/dbraw/zinc/37/79/76/569377976.db2.gz URXJEYXFRTXNST-IBGZPJMESA-N 0 0 413.905 5.398 40 0 HKABRN CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)on1 ZINC000257313326 569377972 /nfs/dbraw/zinc/37/79/72/569377972.db2.gz URXJEYXFRTXNST-LJQANCHMSA-N 0 0 413.905 5.398 40 0 HKABRN O=C(NC[C@H]1CC[C@H](c2nnc(-c3cccs3)o2)CC1)c1cc2cc(F)ccc2[nH]1 ZINC000257313559 569378032 /nfs/dbraw/zinc/37/80/32/569378032.db2.gz UTELTDHXTRVNSU-HDJSIYSDSA-N 0 0 424.501 5.122 40 0 HKABRN CCOc1ccc(Nc2cccc(-c3ccc(-c4ccc(Cl)nc4)nc3)n2)cc1 ZINC000257313686 569378048 /nfs/dbraw/zinc/37/80/48/569378048.db2.gz UTQPULHLRBTORE-UHFFFAOYSA-N 0 0 402.885 6.001 40 0 HKABRN Cc1cccc(C(=O)N[C@@]2(C)C[C@@H](c3cccc(Cl)c3)O[C@H]3C[C@@H](C)CC[C@@H]32)c1 ZINC000257313995 569378060 /nfs/dbraw/zinc/37/80/60/569378060.db2.gz UUYPHKJAPDIAPM-YXAWXADKSA-N 0 0 411.973 6.103 40 0 HKABRN Cc1ccn(C[C@H](C)C(=O)N2CCCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)n1 ZINC000257314282 569378122 /nfs/dbraw/zinc/37/81/22/569378122.db2.gz UWFCGBMIOTVUKT-BXKMTCNYSA-N 0 0 420.532 5.091 40 0 HKABRN Cc1ccn(C[C@@H](C)C(=O)N2CCCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)n1 ZINC000257314283 569378105 /nfs/dbraw/zinc/37/81/05/569378105.db2.gz UWFCGBMIOTVUKT-MZNJEOGPSA-N 0 0 420.532 5.091 40 0 HKABRN Cc1ccn(C[C@@H](C)C(=O)N2CCCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)n1 ZINC000257314284 569378088 /nfs/dbraw/zinc/37/80/88/569378088.db2.gz UWFCGBMIOTVUKT-OSPHWJPCSA-N 0 0 420.532 5.091 40 0 HKABRN Cc1ccn(C[C@H](C)C(=O)N2CCCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)n1 ZINC000257314285 569378014 /nfs/dbraw/zinc/37/80/14/569378014.db2.gz UWFCGBMIOTVUKT-XDHUDOTRSA-N 0 0 420.532 5.091 40 0 HKABRN Cc1ccc2cc(C(=O)N3CCC[C@H](c4ncc(Cc5ccc(F)cc5)o4)C3)[nH]c2c1 ZINC000257314394 569378029 /nfs/dbraw/zinc/37/80/29/569378029.db2.gz UWTMETVHWUUXDY-IBGZPJMESA-N 0 0 417.484 5.214 40 0 HKABRN Cc1ccc2cc(C(=O)N3CCC[C@@H](c4ncc(Cc5ccc(F)cc5)o4)C3)[nH]c2c1 ZINC000257314395 569378055 /nfs/dbraw/zinc/37/80/55/569378055.db2.gz UWTMETVHWUUXDY-LJQANCHMSA-N 0 0 417.484 5.214 40 0 HKABRN Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C[C@H]3C=CCC3)CC2)on1 ZINC000257314677 569378097 /nfs/dbraw/zinc/37/80/97/569378097.db2.gz UYACXNGZFGXJIU-UFYCRDLUSA-N 0 0 422.573 5.310 40 0 HKABRN Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C[C@@H]3C=CCC3)CC2)on1 ZINC000257314678 569378063 /nfs/dbraw/zinc/37/80/63/569378063.db2.gz UYACXNGZFGXJIU-VAMGGRTRSA-N 0 0 422.573 5.310 40 0 HKABRN COCCC(=O)N[C@]1(C)C[C@H](c2ccc(F)c(F)c2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257314680 569378025 /nfs/dbraw/zinc/37/80/25/569378025.db2.gz UYAPVGZDKALTEG-VWPQPMDRSA-N 0 0 423.887 5.122 40 0 HKABRN COc1cccc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(F)cc3)O2)c1F ZINC000257314989 569378086 /nfs/dbraw/zinc/37/80/86/569378086.db2.gz UZLJTUCMFGDHEL-MZKRTTBSSA-N 0 0 403.469 5.097 40 0 HKABRN O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1csc2ccccc12 ZINC000257315652 569378017 /nfs/dbraw/zinc/37/80/17/569378017.db2.gz VCHBHMIVJOUBPV-SHTZXODSSA-N 0 0 423.563 5.717 40 0 HKABRN CCC(=O)N[C@]1(C)C[C@H](c2ccc(NC(C)=O)cc2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257316580 569378040 /nfs/dbraw/zinc/37/80/40/569378040.db2.gz VGEGVXBBPKKBEB-XJUOHMSHSA-N 0 0 414.933 5.176 40 0 HKABRN Cc1cccc(C(=O)N[C@@]2(C)C[C@@H](c3ccccc3Cl)O[C@H]3C[C@@H](C)CC[C@@H]32)c1 ZINC000257316985 569378123 /nfs/dbraw/zinc/37/81/23/569378123.db2.gz VHVQSXZPGAMQBO-VTBHLOPZSA-N 0 0 411.973 6.103 40 0 HKABRN Cc1ncsc1C(=O)N1CCCC[C@H]1c1ccc(Cc2ccccc2Cl)nc1 ZINC000257317527 569378117 /nfs/dbraw/zinc/37/81/17/569378117.db2.gz VKCVMHRNIPHGFE-FQEVSTJZSA-N 0 0 411.958 5.458 40 0 HKABRN Cc1ncsc1C(=O)N1CCCC[C@@H]1c1ccc(Cc2ccccc2Cl)nc1 ZINC000257317528 569378124 /nfs/dbraw/zinc/37/81/24/569378124.db2.gz VKCVMHRNIPHGFE-HXUWFJFHSA-N 0 0 411.958 5.458 40 0 HKABRN O=C(CCc1cccc(Cl)c1)N1CCC[C@@H](c2ccc(Cc3ccccc3)cn2)C1 ZINC000257317647 569378076 /nfs/dbraw/zinc/37/80/76/569378076.db2.gz VKPDMHFLGUNWAI-HSZRJFAPSA-N 0 0 418.968 5.665 40 0 HKABRN O=C(CCc1cccc(Cl)c1)N1CCC[C@H](c2ccc(Cc3ccccc3)cn2)C1 ZINC000257317648 569378115 /nfs/dbraw/zinc/37/81/15/569378115.db2.gz VKPDMHFLGUNWAI-QHCPKHFHSA-N 0 0 418.968 5.665 40 0 HKABRN Cc1ccc(OCC(=O)N2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)cc1 ZINC000257317669 569378020 /nfs/dbraw/zinc/37/80/20/569378020.db2.gz VKRXEAHRNHXCCD-IBGZPJMESA-N 0 0 424.928 5.012 40 0 HKABRN Cc1ccc(OCC(=O)N2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)cc1 ZINC000257317670 569378073 /nfs/dbraw/zinc/37/80/73/569378073.db2.gz VKRXEAHRNHXCCD-LJQANCHMSA-N 0 0 424.928 5.012 40 0 HKABRN COc1cc([C@H]2C[C@](C)(NC(=O)C(C)C)C[C@@H](c3cccc(Cl)c3)O2)ccc1F ZINC000257317743 569378112 /nfs/dbraw/zinc/37/81/12/569378112.db2.gz VKYCMYAHOKQLPG-QZNHQXDQSA-N 0 0 419.924 5.611 40 0 HKABRN COc1cc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3cccc(Cl)c3)O2)ccc1F ZINC000257317744 569378078 /nfs/dbraw/zinc/37/80/78/569378078.db2.gz VKYCMYAHOKQLPG-XJUOHMSHSA-N 0 0 419.924 5.611 40 0 HKABRN O=C(CCc1cccc(Cl)c1)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257318633 569378046 /nfs/dbraw/zinc/37/80/46/569378046.db2.gz VOULHKGYTYMVKC-UHFFFAOYSA-N 0 0 420.944 5.212 40 0 HKABRN Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)C3CCCC3)CC2)on1 ZINC000257318879 569378051 /nfs/dbraw/zinc/37/80/51/569378051.db2.gz VPUKUULOWNCTDL-IYARVYRRSA-N 0 0 424.589 5.318 40 0 HKABRN COCCC(=O)N[C@]1(C)C[C@H](c2ccc(Cl)c(F)c2)O[C@H](c2ccc(F)cc2)C1 ZINC000257320116 569378022 /nfs/dbraw/zinc/37/80/22/569378022.db2.gz VVLCXWMQXSSGBL-VWPQPMDRSA-N 0 0 423.887 5.122 40 0 HKABRN CC(C)[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO[C@@H]1c1cccc(Cl)c1 ZINC000257321109 569378128 /nfs/dbraw/zinc/37/81/28/569378128.db2.gz WACNNDPADWARLV-WOJBJXKFSA-N 0 0 407.982 6.091 40 0 HKABRN CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000257321334 569378090 /nfs/dbraw/zinc/37/80/90/569378090.db2.gz WBETXZLRNCDPEA-JOCHJYFZSA-N 0 0 422.960 5.063 40 0 HKABRN CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000257321335 569378118 /nfs/dbraw/zinc/37/81/18/569378118.db2.gz WBETXZLRNCDPEA-QFIPXVFZSA-N 0 0 422.960 5.063 40 0 HKABRN CCc1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)cs1 ZINC000257321383 569378053 /nfs/dbraw/zinc/37/80/53/569378053.db2.gz WBLMNUOKDUSYLK-HDJSIYSDSA-N 0 0 401.557 5.126 40 0 HKABRN Cc1ccc(C)c(N(Cc2cnn(Cc3ccccc3)c2)Cc2ccccc2CO)c1 ZINC000257321481 569378108 /nfs/dbraw/zinc/37/81/08/569378108.db2.gz WBWPLWJYKHDCHU-UHFFFAOYSA-N 0 0 411.549 5.247 40 0 HKABRN Cc1cccnc1Nc1cccc([C@H]2CCCN(C(=O)c3nccc4ccccc43)C2)n1 ZINC000257321622 569378107 /nfs/dbraw/zinc/37/81/07/569378107.db2.gz WCKNQBNZICUACQ-FQEVSTJZSA-N 0 0 423.520 5.097 40 0 HKABRN Cc1cccnc1Nc1cccc([C@@H]2CCCN(C(=O)c3nccc4ccccc43)C2)n1 ZINC000257321623 569378058 /nfs/dbraw/zinc/37/80/58/569378058.db2.gz WCKNQBNZICUACQ-HXUWFJFHSA-N 0 0 423.520 5.097 40 0 HKABRN COc1ccccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257321657 569378027 /nfs/dbraw/zinc/37/80/27/569378027.db2.gz WCPPKMPBPWOPPV-FQEVSTJZSA-N 0 0 410.901 5.295 40 0 HKABRN COc1ccccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257321658 569378065 /nfs/dbraw/zinc/37/80/65/569378065.db2.gz WCPPKMPBPWOPPV-HXUWFJFHSA-N 0 0 410.901 5.295 40 0 HKABRN CC(C)C(=O)N[C@]1(C)C[C@H](c2cc(Cl)ccc2O)O[C@H](c2ccc(F)cc2)C1 ZINC000257323868 569378099 /nfs/dbraw/zinc/37/80/99/569378099.db2.gz WMDYXUHOKLYKCO-VWPQPMDRSA-N 0 0 405.897 5.308 40 0 HKABRN CCC(=O)N[C@]1(C)C[C@H](c2ccc(F)c(Cl)c2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257324379 569378172 /nfs/dbraw/zinc/37/81/72/569378172.db2.gz WOLOFOMKBASNCK-ZVDOUQERSA-N 0 0 410.316 6.010 40 0 HKABRN CC(C)CN1C(=O)N(c2cccc(F)c2)[C@H]2[C@@H]1CCCC[C@H]2c1ccc(F)cc1F ZINC000257324611 569378213 /nfs/dbraw/zinc/37/82/13/569378213.db2.gz WPLLAZCTCZUEHM-ACIOBRDBSA-N 0 0 416.487 6.097 40 0 HKABRN Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 ZINC000257325682 569378209 /nfs/dbraw/zinc/37/82/09/569378209.db2.gz WTZRQRDAUPUKRY-NRFANRHFSA-N 0 0 409.533 5.487 40 0 HKABRN Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 ZINC000257325683 569378204 /nfs/dbraw/zinc/37/82/04/569378204.db2.gz WTZRQRDAUPUKRY-OAQYLSRUSA-N 0 0 409.533 5.487 40 0 HKABRN COc1ccccc1-c1ccc([C@H]2C[C@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1 ZINC000257325944 569378166 /nfs/dbraw/zinc/37/81/66/569378166.db2.gz WVCGKSSILDMEGV-BGSNPXOBSA-N 0 0 407.554 5.523 40 0 HKABRN CC(C)C(=O)N[C@]1(C)C[C@H](c2ccc(Cl)cc2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257327111 569378197 /nfs/dbraw/zinc/37/81/97/569378197.db2.gz WZZLSFLPDPSFLN-VTYHHJSWSA-N 0 0 406.353 6.117 40 0 HKABRN COc1ccc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(Cl)cc3)O2)c(F)c1 ZINC000257327784 569378132 /nfs/dbraw/zinc/37/81/32/569378132.db2.gz XCSWQXLGECLJGZ-XJUOHMSHSA-N 0 0 419.924 5.611 40 0 HKABRN Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)c3nc4cc(F)ccc4[nH]3)C2)n1 ZINC000257328073 569378193 /nfs/dbraw/zinc/37/81/93/569378193.db2.gz XEACVPVJQLLWCN-GOSISDBHSA-N 0 0 414.484 5.092 40 0 HKABRN Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3nc4cc(F)ccc4[nH]3)C2)n1 ZINC000257328074 569378222 /nfs/dbraw/zinc/37/82/22/569378222.db2.gz XEACVPVJQLLWCN-SFHVURJKSA-N 0 0 414.484 5.092 40 0 HKABRN Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)n1 ZINC000257328714 569378199 /nfs/dbraw/zinc/37/81/99/569378199.db2.gz XGVBQZFQPQOXFK-NRFANRHFSA-N 0 0 424.548 5.272 40 0 HKABRN Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)n1 ZINC000257328715 569378257 /nfs/dbraw/zinc/37/82/57/569378257.db2.gz XGVBQZFQPQOXFK-OAQYLSRUSA-N 0 0 424.548 5.272 40 0 HKABRN CC(C)[C@H]1C[C@@](C)(NC(=O)Cc2ccc(F)cc2)C[C@@H](c2ccc(Cl)cc2)O1 ZINC000257329122 569378202 /nfs/dbraw/zinc/37/82/02/569378202.db2.gz XIORLAAMPFEULK-FUPPJEDESA-N 0 0 403.925 5.473 40 0 HKABRN CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CC(C)(C)C)CC1 ZINC000257329808 569378233 /nfs/dbraw/zinc/37/82/33/569378233.db2.gz XLPVDYPSEHXYIA-UHFFFAOYSA-N 0 0 420.597 5.077 40 0 HKABRN CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000257330450 569378239 /nfs/dbraw/zinc/37/82/39/569378239.db2.gz XOMHLBOPPUOEAK-UHFFFAOYSA-N 0 0 409.917 5.281 40 0 HKABRN Cc1csc(C(=O)N2CCCC[C@H]2c2nnc(-c3nccc4ccccc43)o2)c1 ZINC000257332642 569378253 /nfs/dbraw/zinc/37/82/53/569378253.db2.gz XYCPHNJUYUZLMF-KRWDZBQOSA-N 0 0 404.495 5.022 40 0 HKABRN Cc1csc(C(=O)N2CCCC[C@@H]2c2nnc(-c3nccc4ccccc43)o2)c1 ZINC000257332643 569378168 /nfs/dbraw/zinc/37/81/68/569378168.db2.gz XYCPHNJUYUZLMF-QGZVFWFLSA-N 0 0 404.495 5.022 40 0 HKABRN CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@]3(C2)[C@H]1NC(=O)CCc1ccc(F)cc1 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/nfs/dbraw/zinc/37/82/58/569378258.db2.gz YJKYRUJXMGFHDG-ZVDOUQERSA-N 0 0 410.316 6.010 40 0 HKABRN CCC(CC)C(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2ccncc2)CC1 ZINC000257335281 569378215 /nfs/dbraw/zinc/37/82/15/569378215.db2.gz YJLPCTSYZJTRDV-XGAFWQRZSA-N 0 0 408.590 5.488 40 0 HKABRN CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CC3CCCC3)CC2)n1 ZINC000257335977 569378191 /nfs/dbraw/zinc/37/81/91/569378191.db2.gz YMQHTOLNLJGGRJ-AQYVVDRMSA-N 0 0 420.601 5.632 40 0 HKABRN CC1=C(C)C[C@H](C(=O)N2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)CC1 ZINC000257336476 569378228 /nfs/dbraw/zinc/37/82/28/569378228.db2.gz YOQLUVLYCMCBPV-HSZRJFAPSA-N 0 0 423.000 6.168 40 0 HKABRN CC1=C(C)C[C@@H](C(=O)N2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)CC1 ZINC000257336477 569378256 /nfs/dbraw/zinc/37/82/56/569378256.db2.gz YOQLUVLYCMCBPV-QHCPKHFHSA-N 0 0 423.000 6.168 40 0 HKABRN CC(C)CN1C(=O)N(c2ccc(F)cc2)[C@H]2[C@@H]1CCCC[C@H]2c1ccc(F)cc1F ZINC000257338428 569378363 /nfs/dbraw/zinc/37/83/63/569378363.db2.gz 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ZINC000257349630 569378851 /nfs/dbraw/zinc/37/88/51/569378851.db2.gz POCIWPZSSSLOPM-OIZOTFRBSA-N 0 0 418.706 6.685 40 0 HKABRN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@]21C ZINC000257349631 569378848 /nfs/dbraw/zinc/37/88/48/569378848.db2.gz POCIWPZSSSLOPM-UJAHLPJVSA-N 0 0 418.706 6.685 40 0 HKABRN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000257349632 569378844 /nfs/dbraw/zinc/37/88/44/569378844.db2.gz POCIWPZSSSLOPM-VEOUIUIRSA-N 0 0 418.706 6.685 40 0 HKABRN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)[C@H](O)C[C@@]4(C)[C@H]3CC[C@@]21C ZINC000257349633 569378897 /nfs/dbraw/zinc/37/88/97/569378897.db2.gz POCIWPZSSSLOPM-VTLULPMBSA-N 0 0 418.706 6.685 40 0 HKABRN CO[C@@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](CC[C@H]3[C@@H](C)CCCC(C)C)[C@H]21 ZINC000257350287 569378973 /nfs/dbraw/zinc/37/89/73/569378973.db2.gz WCLAESSRAKSOIR-HIDBRNDSSA-N 0 0 416.690 7.014 40 0 HKABRN CO[C@@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@H](C)CCCC(C)C)[C@H]21 ZINC000257350288 569378970 /nfs/dbraw/zinc/37/89/70/569378970.db2.gz WCLAESSRAKSOIR-KAZDOMLTSA-N 0 0 416.690 7.014 40 0 HKABRN CO[C@@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@@H](C)CCCC(C)C)[C@H]21 ZINC000257350289 569378996 /nfs/dbraw/zinc/37/89/96/569378996.db2.gz WCLAESSRAKSOIR-MWGZXGHLSA-N 0 0 416.690 7.014 40 0 HKABRN CO[C@@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](CC[C@H]3[C@H](C)CCCC(C)C)[C@H]21 ZINC000257350290 569378958 /nfs/dbraw/zinc/37/89/58/569378958.db2.gz WCLAESSRAKSOIR-WMSNMPISSA-N 0 0 416.690 7.014 40 0 HKABRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@]4(O)[C@H](O)CCC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257350415 569378984 /nfs/dbraw/zinc/37/89/84/569378984.db2.gz XHJMYRAEGCTDKQ-CNCXHYKDSA-N 0 0 404.679 6.584 40 0 HKABRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@]4(O)[C@H](O)CCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257350416 569378987 /nfs/dbraw/zinc/37/89/87/569378987.db2.gz XHJMYRAEGCTDKQ-JKCJHPSFSA-N 0 0 404.679 6.584 40 0 HKABRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@]4(O)[C@H](O)CCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257350417 569379001 /nfs/dbraw/zinc/37/90/01/569379001.db2.gz XHJMYRAEGCTDKQ-PXADIBECSA-N 0 0 404.679 6.584 40 0 HKABRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@]4(O)[C@H](O)CCC[C@]4(C)[C@H]3CC[C@]21C ZINC000257350418 569378998 /nfs/dbraw/zinc/37/89/98/569378998.db2.gz XHJMYRAEGCTDKQ-RFBYBFSHSA-N 0 0 404.679 6.584 40 0 HKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H]([C@@]5(C)CCC(=O)O5)[C@@]4(C)CC[C@H]32)C1 ZINC000257373177 569379316 /nfs/dbraw/zinc/37/93/16/569379316.db2.gz ZSUHSKYVVTXINZ-DQDZBENBSA-N 0 0 414.586 5.593 40 0 HKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H]([C@@]5(C)CCC(=O)O5)[C@@]4(C)CC[C@@H]32)C1 ZINC000257373178 569379323 /nfs/dbraw/zinc/37/93/23/569379323.db2.gz ZSUHSKYVVTXINZ-OVXOOZFTSA-N 0 0 414.586 5.593 40 0 HKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H]([C@@]5(C)CCC(=O)O5)[C@@]4(C)CC[C@H]32)C1 ZINC000257373179 569379278 /nfs/dbraw/zinc/37/92/78/569379278.db2.gz ZSUHSKYVVTXINZ-UTYCNODKSA-N 0 0 414.586 5.593 40 0 HKABRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H]([C@@]5(C)CCC(=O)O5)[C@@]4(C)CC[C@@H]32)C1 ZINC000257373180 569379273 /nfs/dbraw/zinc/37/92/73/569379273.db2.gz ZSUHSKYVVTXINZ-UYBAFJQYSA-N 0 0 414.586 5.593 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(Cl)c(OC)c(Cl)c3)N21 ZINC000260752830 569379753 /nfs/dbraw/zinc/37/97/53/569379753.db2.gz ACLCDJWGWRXWNO-DQYPLSBCSA-N 0 0 408.354 5.376 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(Cl)c(OC)c(Cl)c3)N21 ZINC000260752838 569379739 /nfs/dbraw/zinc/37/97/39/569379739.db2.gz ACLCDJWGWRXWNO-JLZZUVOBSA-N 0 0 408.354 5.376 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(OC(C)C)c(Cl)c3)N21 ZINC000260753027 569379684 /nfs/dbraw/zinc/37/96/84/569379684.db2.gz AWSZUYBYEFKXKB-XPGWFJOJSA-N 0 0 401.963 5.502 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(OC(C)C)c(Cl)c3)N21 ZINC000260753030 569379768 /nfs/dbraw/zinc/37/97/68/569379768.db2.gz AWSZUYBYEFKXKB-YSGRDPCXSA-N 0 0 401.963 5.502 40 0 HKABRN CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)N=C4SC[C@H](CC)N43)o2)cc1 ZINC000260753039 569379685 /nfs/dbraw/zinc/37/96/85/569379685.db2.gz AZSODEDGHIIOEC-JJEOQYAHSA-N 0 0 419.550 5.720 40 0 HKABRN CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)N=C4SC[C@H](CC)N43)o2)cc1 ZINC000260753042 569379725 /nfs/dbraw/zinc/37/97/25/569379725.db2.gz AZSODEDGHIIOEC-PDIWNELESA-N 0 0 419.550 5.720 40 0 HKABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccccc2Sc2ccccc2)S1 ZINC000260753179 569379722 /nfs/dbraw/zinc/37/97/22/569379722.db2.gz BPSSCIFRCNXIPC-NPFVIJTESA-N 0 0 403.576 5.822 40 0 HKABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccccc2Sc2ccccc2)S1 ZINC000260753185 569379693 /nfs/dbraw/zinc/37/96/93/569379693.db2.gz BPSSCIFRCNXIPC-URZJWIJPSA-N 0 0 403.576 5.822 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccc4ccccc4c3)N21 ZINC000260755949 569379709 /nfs/dbraw/zinc/37/97/09/569379709.db2.gz CKVQKPLVCNPPOJ-YNJKOYDBSA-N 0 0 424.573 6.005 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc4ccccc4c3)N21 ZINC000260755954 569379707 /nfs/dbraw/zinc/37/97/07/569379707.db2.gz CKVQKPLVCNPPOJ-ZPZUNKDASA-N 0 0 424.573 6.005 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4ccc(Cl)cc4)o3)N21 ZINC000260756046 569379747 /nfs/dbraw/zinc/37/97/47/569379747.db2.gz DAKZMLRQPQXEDW-CZAAIQMYSA-N 0 0 409.942 5.974 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4ccc(Cl)cc4)o3)N21 ZINC000260756050 569379766 /nfs/dbraw/zinc/37/97/66/569379766.db2.gz DAKZMLRQPQXEDW-HBGVWJBISA-N 0 0 409.942 5.974 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(Cc4ccco4)c3C)N21 ZINC000260756067 569379761 /nfs/dbraw/zinc/37/97/61/569379761.db2.gz DCJAQUZZJNRZNH-WTNAPCKOSA-N 0 0 406.555 5.121 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(Cc4ccco4)c3C)N21 ZINC000260756071 569379744 /nfs/dbraw/zinc/37/97/44/569379744.db2.gz DCJAQUZZJNRZNH-YHYVQYDKSA-N 0 0 406.555 5.121 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4cc(Cl)ccc4C)o3)N21 ZINC000260756107 569379749 /nfs/dbraw/zinc/37/97/49/569379749.db2.gz DJEHXVPBGXPVBV-HVETUWLQSA-N 0 0 423.969 6.283 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4cc(Cl)ccc4C)o3)N21 ZINC000260756110 569379770 /nfs/dbraw/zinc/37/97/70/569379770.db2.gz DJEHXVPBGXPVBV-XGRCMKMKSA-N 0 0 423.969 6.283 40 0 HKABRN CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)o2)cc1 ZINC000260759250 569379772 /nfs/dbraw/zinc/37/97/72/569379772.db2.gz FJZZEVPHVHNTLL-KBJGYGKASA-N 0 0 405.523 5.330 40 0 HKABRN CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)o2)cc1 ZINC000260759278 569379846 /nfs/dbraw/zinc/37/98/46/569379846.db2.gz FJZZEVPHVHNTLL-UJUVCNOISA-N 0 0 405.523 5.330 40 0 HKABRN CCOc1c(Cl)cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc1OC ZINC000260759444 569379830 /nfs/dbraw/zinc/37/98/30/569379830.db2.gz GOIPQXABLJWGAM-GDIGMMSISA-N 0 0 417.962 5.122 40 0 HKABRN CCOc1c(Cl)cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc1OC ZINC000260759451 569379820 /nfs/dbraw/zinc/37/98/20/569379820.db2.gz GOIPQXABLJWGAM-ZOCIIQOWSA-N 0 0 417.962 5.122 40 0 HKABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)o1 ZINC000260762880 569379855 /nfs/dbraw/zinc/37/98/55/569379855.db2.gz HUQHWZWJNQMHKX-HBUDHLSFSA-N 0 0 409.942 5.893 40 0 HKABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)o1 ZINC000260762887 569379826 /nfs/dbraw/zinc/37/98/26/569379826.db2.gz HUQHWZWJNQMHKX-OBVPDXSSSA-N 0 0 409.942 5.893 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3cccc(Cl)c3)N21 ZINC000260763034 569379847 /nfs/dbraw/zinc/37/98/47/569379847.db2.gz IEIUJRUMXVYQIH-CZAAIQMYSA-N 0 0 408.958 5.505 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3cccc(Cl)c3)N21 ZINC000260763038 569379878 /nfs/dbraw/zinc/37/98/78/569379878.db2.gz IEIUJRUMXVYQIH-HBGVWJBISA-N 0 0 408.958 5.505 40 0 HKABRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)o1 ZINC000260763104 569379840 /nfs/dbraw/zinc/37/98/40/569379840.db2.gz INXFKVGVRHICLX-PUCZYUMASA-N 0 0 409.942 5.893 40 0 HKABRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)o1 ZINC000260763107 569379827 /nfs/dbraw/zinc/37/98/27/569379827.db2.gz INXFKVGVRHICLX-XMDBHEJHSA-N 0 0 409.942 5.893 40 0 HKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 ZINC000260765967 569379834 /nfs/dbraw/zinc/37/98/34/569379834.db2.gz IOCOOTXIXKNTFT-AIYSXCBHSA-N 0 0 402.567 5.387 40 0 HKABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 ZINC000260765973 569379824 /nfs/dbraw/zinc/37/98/24/569379824.db2.gz IOCOOTXIXKNTFT-DURYTUKUSA-N 0 0 402.567 5.387 40 0 HKABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(Sc3ccccc3)cc2)S1 ZINC000260766021 569379831 /nfs/dbraw/zinc/37/98/31/569379831.db2.gz IRJGNJVUWPYAHQ-NPFVIJTESA-N 0 0 403.576 5.822 40 0 HKABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(Sc3ccccc3)cc2)S1 ZINC000260766026 569379838 /nfs/dbraw/zinc/37/98/38/569379838.db2.gz IRJGNJVUWPYAHQ-URZJWIJPSA-N 0 0 403.576 5.822 40 0 HKABRN CCOc1cc(C)c([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc1OCC ZINC000260769228 569379862 /nfs/dbraw/zinc/37/98/62/569379862.db2.gz KOJLVYBJRGFKBO-KNXBSLHKSA-N 0 0 411.571 5.167 40 0 HKABRN CCOc1cc(C)c([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc1OCC ZINC000260769231 569379976 /nfs/dbraw/zinc/37/99/76/569379976.db2.gz KOJLVYBJRGFKBO-WQTXXOFMSA-N 0 0 411.571 5.167 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(Cc4ccccc4)c3C)N21 ZINC000260769265 569379933 /nfs/dbraw/zinc/37/99/33/569379933.db2.gz LEFCVQTYQVQHSP-HUVFLSCGSA-N 0 0 416.594 5.528 40 0 HKABRN 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CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4ccc(C)c(Cl)c4)o3)N21 ZINC000260769340 569379991 /nfs/dbraw/zinc/37/99/91/569379991.db2.gz LPXUTMZINJLALU-HVETUWLQSA-N 0 0 423.969 6.283 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4ccc(C)c(Cl)c4)o3)N21 ZINC000260769343 569379962 /nfs/dbraw/zinc/37/99/62/569379962.db2.gz LPXUTMZINJLALU-XGRCMKMKSA-N 0 0 423.969 6.283 40 0 HKABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc(Cl)c(C)c3)N21 ZINC000260772039 569379972 /nfs/dbraw/zinc/37/99/72/569379972.db2.gz MFTIKJBZPYVITI-HVETUWLQSA-N 0 0 422.985 5.814 40 0 HKABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccc(Cl)c(C)c3)N21 ZINC000260772046 569379961 /nfs/dbraw/zinc/37/99/61/569379961.db2.gz MFTIKJBZPYVITI-XGRCMKMKSA-N 0 0 422.985 5.814 40 0 HKABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc3ccccc3c2)S1 ZINC000260772160 569379943 /nfs/dbraw/zinc/37/99/43/569379943.db2.gz MNZMNIMDYLRJHC-GAZXMLTASA-N 0 0 410.546 5.615 40 0 HKABRN 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/nfs/dbraw/zinc/38/07/61/569380761.db2.gz LVFYHUIQUAZOKG-GOTPNQGBSA-N 0 0 414.586 5.437 40 0 HKABRN CC(=O)OCC(=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3 ZINC000263602059 569380782 /nfs/dbraw/zinc/38/07/82/569380782.db2.gz LVFYHUIQUAZOKG-NIJLDMAFSA-N 0 0 414.586 5.437 40 0 HKABRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3C4=CC[C@H]([C@@H]5COC(=O)C5)[C@@]4(C)CC[C@@H]32)C1 ZINC000263606861 569380732 /nfs/dbraw/zinc/38/07/32/569380732.db2.gz RIXRDVKJMJLULT-JLFLNNJFSA-N 0 0 400.559 5.060 40 0 HKABRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3C4=CC[C@H]([C@@H]5COC(=O)C5)[C@]4(C)CC[C@H]32)C1 ZINC000263606862 569380804 /nfs/dbraw/zinc/38/08/04/569380804.db2.gz RIXRDVKJMJLULT-JRRIDDKQSA-N 0 0 400.559 5.060 40 0 HKABRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3C4=CC[C@H]([C@@H]5COC(=O)C5)[C@]4(C)CC[C@@H]32)C1 ZINC000263606863 569380753 /nfs/dbraw/zinc/38/07/53/569380753.db2.gz RIXRDVKJMJLULT-UVXQYKMFSA-N 0 0 400.559 5.060 40 0 HKABRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3C4=CC[C@H]([C@@H]5COC(=O)C5)[C@@]4(C)CC[C@H]32)C1 ZINC000263606864 569380773 /nfs/dbraw/zinc/38/07/73/569380773.db2.gz RIXRDVKJMJLULT-YFJZQRPZSA-N 0 0 400.559 5.060 40 0 HKABRN CC(=O)Nc1cc(Oc2ccc3c(nc(Nc4ccc(F)cc4F)n3C)c2C)ccn1 ZINC000263614455 569317027 /nfs/dbraw/zinc/31/70/27/569317027.db2.gz KQQLBXFPTDVFAJ-UHFFFAOYSA-N 0 0 423.423 5.049 40 0 in-vitro HKABRN CCCCCC1CCC([C@H]2CC[C@H](c3ccc(-c4ccc(F)c(F)c4)cc3)CC2)CC1 ZINC000299803310 569382390 /nfs/dbraw/zinc/38/23/90/569382390.db2.gz HRTSRDFZYBCCMA-UUNIZHOLSA-N 0 0 424.619 9.292 40 0 HKABRN CC(C)(C)Cn1c(N)nc2ccc(C3=NC(C(C)(C)C)=N[C@@H]3c3ccc(F)cc3)nc21 ZINC000299803708 569382392 /nfs/dbraw/zinc/38/23/92/569382392.db2.gz VNYMUMUIZWPLPT-GOSISDBHSA-N 0 0 420.536 5.187 40 0 HKABRN CC(C)(C)Cn1c(N)nc2ccc(C3=NC(C(C)(C)C)=N[C@H]3c3ccc(F)cc3)nc21 ZINC000299803709 569382280 /nfs/dbraw/zinc/38/22/80/569382280.db2.gz VNYMUMUIZWPLPT-SFHVURJKSA-N 0 0 420.536 5.187 40 0 HKABRN CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000299817164 571049746 /nfs/dbraw/zinc/04/97/46/571049746.db2.gz ISBSSBGEYIBVTO-FITPEODRSA-N 0 0 418.662 5.474 40 0 in-vitro HKABRN O=C(c1ccc2c(c1)c1ccccc1n2CCCCCF)c1cccc2ccccc21 ZINC000299817204 571049815 /nfs/dbraw/zinc/04/98/15/571049815.db2.gz LYDDINAZVHIBGP-UHFFFAOYSA-N 0 0 409.504 7.319 40 0 in-vitro HKABRN CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000299888338 569382440 /nfs/dbraw/zinc/38/24/40/569382440.db2.gz FXWAFDROLPRQFL-GRTWRMIDSA-N 0 0 414.674 6.382 40 0 HKABRN CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000299888339 569382421 /nfs/dbraw/zinc/38/24/21/569382421.db2.gz FXWAFDROLPRQFL-MNITZQOCSA-N 0 0 414.674 6.382 40 0 HKABRN Clc1cc(NCc2ccc(OCc3ccccc3)cc2)ccc1Br ZINC000301135423 569382486 /nfs/dbraw/zinc/38/24/86/569382486.db2.gz PFLFFCJPLMSNJD-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN O=C(Nc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1)c1cccnc1 ZINC000302768532 569382757 /nfs/dbraw/zinc/38/27/57/569382757.db2.gz VAYHPONOFUOMKJ-UHFFFAOYSA-N 0 0 423.472 5.165 40 0 HKABRN CC(C)c1nc2c(n1CC1CC1)-c1ccccc1OC21CCN(C(=O)CC2CC2)CC1 ZINC000306143672 569383107 /nfs/dbraw/zinc/38/31/07/569383107.db2.gz YINBPPVTVPNPDG-UHFFFAOYSA-N 0 0 419.569 5.094 40 0 HKABRN CCOP(=O)(OCC)C(F)(F)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000306145772 569383094 /nfs/dbraw/zinc/38/30/94/569383094.db2.gz PSPNZMTVPPAFNW-KRWDZBQOSA-N 0 0 403.793 6.352 40 0 HKABRN CCOP(=O)(OCC)C(F)(F)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000306145773 569383106 /nfs/dbraw/zinc/38/31/06/569383106.db2.gz PSPNZMTVPPAFNW-QGZVFWFLSA-N 0 0 403.793 6.352 40 0 HKABRN O=C(Nc1ccc(Br)cc1F)c1cccc(OCc2ccccc2)c1 ZINC000310903750 569383211 /nfs/dbraw/zinc/38/32/11/569383211.db2.gz PMJIQHZUAFQLFC-UHFFFAOYSA-N 0 0 400.247 5.420 40 0 HKABRN O=C(Nc1ccc(Br)cc1F)c1ccc(OCc2ccccc2)cc1 ZINC000311022940 569383223 /nfs/dbraw/zinc/38/32/23/569383223.db2.gz MAVWQHNHFDHXQA-UHFFFAOYSA-N 0 0 400.247 5.420 40 0 HKABRN O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(OCc2ccccc2)cc1 ZINC000311138445 569383196 /nfs/dbraw/zinc/38/31/96/569383196.db2.gz KTRXHQLSXXSYOP-UHFFFAOYSA-N 0 0 416.702 5.934 40 0 HKABRN COc1ccc(Br)cc1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000312420254 569383384 /nfs/dbraw/zinc/38/33/84/569383384.db2.gz SCQWMEAQXJREIY-UHFFFAOYSA-N 0 0 419.500 5.126 40 0 HKABRN OCc1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000319021096 569383742 /nfs/dbraw/zinc/38/37/42/569383742.db2.gz GPNPLAMKVLWXBV-UHFFFAOYSA-N 0 0 422.116 5.436 40 0 HKABRN CC(C)c1nc(Cl)cc(Nc2ccc(OC(F)(F)F)c(Br)c2)n1 ZINC000323864460 569383721 /nfs/dbraw/zinc/38/37/21/569383721.db2.gz RUMVFLDWYMRPOU-UHFFFAOYSA-N 0 0 410.621 5.658 40 0 HKABRN CNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(C(F)(F)F)n1 ZINC000326125244 569384105 /nfs/dbraw/zinc/38/41/05/569384105.db2.gz AZBJBGMSVWNGGG-UHFFFAOYSA-N 0 0 415.135 5.062 40 0 HKABRN CC(C)(C)c1nc(Cl)cc(Nc2ccc(OC(F)(F)F)c(Br)c2)n1 ZINC000326345657 569384222 /nfs/dbraw/zinc/38/42/22/569384222.db2.gz TVGJJPMDOJVQSW-UHFFFAOYSA-N 0 0 424.648 5.832 40 0 HKABRN CC[C@@H](C)Nc1nc(-c2ccccc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328955220 571309185 /nfs/dbraw/zinc/30/91/85/571309185.db2.gz AASGGCFFJGCXFC-CYBMUJFWSA-N 0 0 402.329 6.100 40 0 HKABRN CC[C@H](C)Nc1nc(-c2ccccc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328955224 571309479 /nfs/dbraw/zinc/30/94/79/571309479.db2.gz AASGGCFFJGCXFC-ZDUSSCGKSA-N 0 0 402.329 6.100 40 0 HKABRN CC(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccc2)n1 ZINC000328955320 569384268 /nfs/dbraw/zinc/38/42/68/569384268.db2.gz ABODRQSYZAPPBU-UHFFFAOYSA-N 0 0 406.839 5.224 40 0 HKABRN CCc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(Nc2cccc(Cl)c2)n1 ZINC000328955938 569384176 /nfs/dbraw/zinc/38/41/76/569384176.db2.gz AEPLJKLBCAQDBW-HNNXBMFYSA-N 0 0 408.933 5.052 40 0 HKABRN CCc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(Nc2cccc(Cl)c2)n1 ZINC000328955939 569384244 /nfs/dbraw/zinc/38/42/44/569384244.db2.gz AEPLJKLBCAQDBW-OAHLLOKOSA-N 0 0 408.933 5.052 40 0 HKABRN CCc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(Nc2ccccc2)n1 ZINC000328956443 569384405 /nfs/dbraw/zinc/38/44/05/569384405.db2.gz AGDHCUUPUOHTTE-UHFFFAOYSA-N 0 0 414.431 5.244 40 0 HKABRN CC(C)c1nc(Nc2cccc(Cl)c2)cc(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000328956537 569384472 /nfs/dbraw/zinc/38/44/72/569384472.db2.gz AGXAKTBTNLKAIL-UHFFFAOYSA-N 0 0 406.961 6.295 40 0 HKABRN Fc1cccc(-c2nc(Cl)cc(Nc3ccc(Cl)cc3Br)n2)c1 ZINC000328957863 571305224 /nfs/dbraw/zinc/30/52/24/571305224.db2.gz ALXAPCLKHVWINR-UHFFFAOYSA-N 0 0 413.077 6.096 40 0 HKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2cccnc2)nc(NC(C)(C)C)n1 ZINC000328957924 569384333 /nfs/dbraw/zinc/38/43/33/569384333.db2.gz AMEKXIGAJGXYGC-UHFFFAOYSA-N 0 0 417.435 5.700 40 0 HKABRN CC(C)c1nc(Nc2ccccc2)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000328958391 569384422 /nfs/dbraw/zinc/38/44/22/569384422.db2.gz ANIYNMSFZSAOEQ-UHFFFAOYSA-N 0 0 423.358 5.669 40 0 HKABRN CC(C)(C)Nc1nc(Nc2cccc(O)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328958939 571304906 /nfs/dbraw/zinc/30/49/06/571304906.db2.gz AQVCZCMDUUGDLP-UHFFFAOYSA-N 0 0 418.419 5.702 40 0 HKABRN CCNc1nc(Nc2ccc(OCC)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328958942 571307570 /nfs/dbraw/zinc/30/75/70/571307570.db2.gz AQWJPJOISZLHRO-UHFFFAOYSA-N 0 0 418.419 5.616 40 0 HKABRN CCNc1nc(Nc2ccc(F)c(C)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328958955 571307541 /nfs/dbraw/zinc/30/75/41/571307541.db2.gz ARFROENLHZWJIK-UHFFFAOYSA-N 0 0 406.383 5.665 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(C)cc2Br)cc(-c2ccccc2)n1 ZINC000328959257 569384428 /nfs/dbraw/zinc/38/44/28/569384428.db2.gz ASNSIKDVBPVVMC-HNNXBMFYSA-N 0 0 411.347 5.012 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(C)cc2Br)cc(-c2ccccc2)n1 ZINC000328959260 569384338 /nfs/dbraw/zinc/38/43/38/569384338.db2.gz ASNSIKDVBPVVMC-OAHLLOKOSA-N 0 0 411.347 5.012 40 0 HKABRN Cc1cc(Nc2cc(-c3ccncc3)nc(NC(C)(C)C)n2)ccc1Br ZINC000328959435 569384384 /nfs/dbraw/zinc/38/43/84/569384384.db2.gz AUDMEOOQWLEURH-UHFFFAOYSA-N 0 0 412.335 5.564 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(O)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328959804 571309233 /nfs/dbraw/zinc/30/92/33/571309233.db2.gz AUVZUFZAPXXDLZ-CYBMUJFWSA-N 0 0 418.419 5.702 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(O)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328959805 571309611 /nfs/dbraw/zinc/30/96/11/571309611.db2.gz AUVZUFZAPXXDLZ-ZDUSSCGKSA-N 0 0 418.419 5.702 40 0 HKABRN FC(F)(F)c1cc(Nc2c(Cl)cccc2C(F)(F)F)nc(NC2CCCC2)n1 ZINC000328959854 527679967 /nfs/dbraw/zinc/67/99/67/527679967.db2.gz AVHOYBAWLPLIPV-UHFFFAOYSA-N 0 0 424.776 5.110 40 0 HKABRN Cc1cc(Nc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)c(C)cc1Cl ZINC000328959871 569384342 /nfs/dbraw/zinc/38/43/42/569384342.db2.gz AVJVTEPODHXGHF-UHFFFAOYSA-N 0 0 412.242 6.830 40 0 HKABRN Cc1cc(F)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC(C)C)n1 ZINC000328960130 571306492 /nfs/dbraw/zinc/30/64/92/571306492.db2.gz AWZOUQBLOYAJPQ-UHFFFAOYSA-N 0 0 420.410 6.054 40 0 HKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccccc2)nc(NC(C)(C)C)n1 ZINC000328960418 569384432 /nfs/dbraw/zinc/38/44/32/569384432.db2.gz AXNXAGCBHSVHNI-UHFFFAOYSA-N 0 0 416.447 6.305 40 0 HKABRN Cc1cc(Cl)cc(C)c1Nc1cc(-c2cccnc2)nc(NC2CCCCC2)n1 ZINC000328960560 569384453 /nfs/dbraw/zinc/38/44/53/569384453.db2.gz AZCQTOPKPUTISX-UHFFFAOYSA-N 0 0 407.949 5.141 40 0 HKABRN CCNc1nc(Nc2ccc(C)c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328960584 569384354 /nfs/dbraw/zinc/38/43/54/569384354.db2.gz AZHNIJVOBKOCCS-UHFFFAOYSA-N 0 0 422.838 5.023 40 0 HKABRN Clc1ccc(Cl)c(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)c1 ZINC000328961052 569384402 /nfs/dbraw/zinc/38/44/02/569384402.db2.gz BAPKTRWKPIGGHQ-UHFFFAOYSA-N 0 0 414.340 5.177 40 0 HKABRN CC(C)(C)Nc1nc(-c2cccnc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328961080 569384340 /nfs/dbraw/zinc/38/43/40/569384340.db2.gz BBHGOSVWLRNCHC-UHFFFAOYSA-N 0 0 403.317 5.495 40 0 HKABRN Cc1c(Br)cccc1Nc1cc(-c2ccccc2)nc(NC2CCCC2)n1 ZINC000328961512 569384462 /nfs/dbraw/zinc/38/44/62/569384462.db2.gz BDMHZBPORJDCRB-UHFFFAOYSA-N 0 0 423.358 5.156 40 0 HKABRN CCNc1nc(Nc2ccc(C)cc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328961917 569384452 /nfs/dbraw/zinc/38/44/52/569384452.db2.gz BETLAFBPGJBOEP-UHFFFAOYSA-N 0 0 422.838 5.023 40 0 HKABRN Clc1cc(Cl)cc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)c1 ZINC000328962582 569384334 /nfs/dbraw/zinc/38/43/34/569384334.db2.gz BJPDOLXODFHHBN-UHFFFAOYSA-N 0 0 414.340 5.177 40 0 HKABRN CC(C)(C)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccccc2)n1 ZINC000328963735 571304979 /nfs/dbraw/zinc/30/49/79/571304979.db2.gz BPQMVPMSKLGPIQ-UHFFFAOYSA-N 0 0 402.420 5.996 40 0 HKABRN FC(F)(F)Oc1cccc(-c2cc(Nc3ccc(Cl)cc3)nc(NC3CC3)n2)c1 ZINC000328963778 571304853 /nfs/dbraw/zinc/30/48/53/571304853.db2.gz BRADFJCYKXKLPK-UHFFFAOYSA-N 0 0 420.822 6.014 40 0 HKABRN CC(C)(C)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(C(F)(F)F)n1 ZINC000328963786 571305096 /nfs/dbraw/zinc/30/50/96/571305096.db2.gz BRFXAPXCXZXULY-UHFFFAOYSA-N 0 0 410.387 6.061 40 0 HKABRN Cc1cc(Br)ccc1Nc1cc(-c2ccncc2)nc(NC2CCCC2)n1 ZINC000328964117 571305665 /nfs/dbraw/zinc/30/56/65/571305665.db2.gz BTEAKCWGRVADFW-UHFFFAOYSA-N 0 0 424.346 5.708 40 0 HKABRN CC(C)(C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)n1 ZINC000328964132 571304792 /nfs/dbraw/zinc/30/47/92/571304792.db2.gz BTIIBKMRCYWRGS-UHFFFAOYSA-N 0 0 411.347 5.729 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C2CC2)n1 ZINC000328965231 569384366 /nfs/dbraw/zinc/38/43/66/569384366.db2.gz CAYPDIRBSHTUIB-JTQLQIEISA-N 0 0 418.385 5.189 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C2CC2)n1 ZINC000328965232 569384445 /nfs/dbraw/zinc/38/44/45/569384445.db2.gz CAYPDIRBSHTUIB-SNVBAGLBSA-N 0 0 418.385 5.189 40 0 HKABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccn2)n1 ZINC000328965921 569384415 /nfs/dbraw/zinc/38/44/15/569384415.db2.gz CGFYACVRNFPDEE-NRFANRHFSA-N 0 0 405.546 5.009 40 0 HKABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccn2)n1 ZINC000328965924 569384449 /nfs/dbraw/zinc/38/44/49/569384449.db2.gz CGFYACVRNFPDEE-OAQYLSRUSA-N 0 0 405.546 5.009 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(Br)c(C)c2)cc(-c2ccccc2)n1 ZINC000328966207 571309491 /nfs/dbraw/zinc/30/94/91/571309491.db2.gz CIPJMFQUBAGFER-HNNXBMFYSA-N 0 0 411.347 6.169 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(Br)c(C)c2)cc(-c2ccccc2)n1 ZINC000328966208 571309191 /nfs/dbraw/zinc/30/91/91/571309191.db2.gz CIPJMFQUBAGFER-OAHLLOKOSA-N 0 0 411.347 6.169 40 0 HKABRN FC(F)(F)c1ccc(Nc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000328966230 569384346 /nfs/dbraw/zinc/38/43/46/569384346.db2.gz CJLFRCMWAJNCOT-UHFFFAOYSA-N 0 0 417.740 6.578 40 0 HKABRN Clc1cccc(Nc2cc(N3CCc4cc(Cl)ccc4C3)nc(C3CC3)n2)c1 ZINC000328966237 569384357 /nfs/dbraw/zinc/38/43/57/569384357.db2.gz CJSMCBQXDBKGSO-UHFFFAOYSA-N 0 0 411.336 5.967 40 0 HKABRN CC(C)c1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(Nc2cccc(Cl)c2)n1 ZINC000328966590 571306462 /nfs/dbraw/zinc/30/64/62/571306462.db2.gz CMVRGEDLAHLIOR-INIZCTEOSA-N 0 0 422.960 5.613 40 0 HKABRN CC(C)c1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(Nc2cccc(Cl)c2)n1 ZINC000328966592 571306469 /nfs/dbraw/zinc/30/64/69/571306469.db2.gz CMVRGEDLAHLIOR-MRXNPFEDSA-N 0 0 422.960 5.613 40 0 HKABRN CNc1nc(Nc2ccc(C(C)C)c(C)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328966636 571306513 /nfs/dbraw/zinc/30/65/13/571306513.db2.gz CNDCBWIELJQLEK-UHFFFAOYSA-N 0 0 416.447 6.259 40 0 HKABRN COc1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)nc(C(C)C)n1)C2 ZINC000328966676 569384417 /nfs/dbraw/zinc/38/44/17/569384417.db2.gz CNSUHOLUEZWXJM-UHFFFAOYSA-N 0 0 408.933 5.568 40 0 HKABRN CC(C)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000328966689 569384370 /nfs/dbraw/zinc/38/43/70/569384370.db2.gz COBWVLIACYBIBP-UHFFFAOYSA-N 0 0 404.461 5.163 40 0 HKABRN CC(C)c1nc(Nc2ccccc2)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000328967509 569384409 /nfs/dbraw/zinc/38/44/09/569384409.db2.gz CTWXGAVXHYNSHT-UHFFFAOYSA-N 0 0 423.358 5.669 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2cccnc2)n1 ZINC000328967522 569384443 /nfs/dbraw/zinc/38/44/43/569384443.db2.gz CUGUMGPHGBRFAZ-GFCCVEGCSA-N 0 0 421.854 5.009 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2cccnc2)n1 ZINC000328967523 569384387 /nfs/dbraw/zinc/38/43/87/569384387.db2.gz CUGUMGPHGBRFAZ-LBPRGKRZSA-N 0 0 421.854 5.009 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2cccnc2)n1 ZINC000328968421 569384376 /nfs/dbraw/zinc/38/43/76/569384376.db2.gz CYVMOYAIHJHXRB-GFCCVEGCSA-N 0 0 421.854 5.009 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2cccnc2)n1 ZINC000328968422 569384332 /nfs/dbraw/zinc/38/43/32/569384332.db2.gz CYVMOYAIHJHXRB-LBPRGKRZSA-N 0 0 421.854 5.009 40 0 HKABRN CC[C@@H](C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C2CC2)n1 ZINC000328969946 569384393 /nfs/dbraw/zinc/38/43/93/569384393.db2.gz DHCKBTLDXHMYQL-CYBMUJFWSA-N 0 0 406.452 5.026 40 0 HKABRN CC[C@H](C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C2CC2)n1 ZINC000328969947 569384349 /nfs/dbraw/zinc/38/43/49/569384349.db2.gz DHCKBTLDXHMYQL-ZDUSSCGKSA-N 0 0 406.452 5.026 40 0 HKABRN Fc1ccc(-c2nc(Cl)cc(Nc3ccc(C(F)(F)F)cc3Cl)n2)cc1 ZINC000328970395 569384347 /nfs/dbraw/zinc/38/43/47/569384347.db2.gz DKZWLWXYPJZZOS-UHFFFAOYSA-N 0 0 402.178 5.774 40 0 HKABRN FC(F)(F)Oc1ccc2c(c1)CCN(c1ccnc(Nc3cccc(Cl)c3)n1)C2 ZINC000328970817 569384478 /nfs/dbraw/zinc/38/44/78/569384478.db2.gz DMQIPYLOHQOFOD-UHFFFAOYSA-N 0 0 420.822 5.335 40 0 HKABRN CC(C)Nc1nc(Nc2cccc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328970889 569384389 /nfs/dbraw/zinc/38/43/89/569384389.db2.gz DNIQPZRUFOZTRC-UHFFFAOYSA-N 0 0 422.838 5.103 40 0 HKABRN Clc1cc(Cl)cc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)c1 ZINC000328972094 569384460 /nfs/dbraw/zinc/38/44/60/569384460.db2.gz DSVPDFUWXNBPIW-UHFFFAOYSA-N 0 0 414.340 5.177 40 0 HKABRN Clc1ccc(NN=c2cc(-c3ccccc3)nc(NC3CCCC3)[nH]2)c(Cl)c1 ZINC000328972161 571310518 /nfs/dbraw/zinc/31/05/18/571310518.db2.gz DUMPTSCNBXRRFK-UHFFFAOYSA-N 0 0 414.340 6.244 40 0 HKABRN Cc1cc(Br)ccc1Nc1cc(C2CC2)nc(NC2CCCCC2)n1 ZINC000328972172 571305699 /nfs/dbraw/zinc/30/56/99/571305699.db2.gz DURUFRMXZIRCCU-UHFFFAOYSA-N 0 0 401.352 5.913 40 0 HKABRN CC(C)(C)Nc1nc(Nc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328972634 569384469 /nfs/dbraw/zinc/38/44/69/569384469.db2.gz DWICSPJYMIMLPC-UHFFFAOYSA-N 0 0 420.410 6.135 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(Br)cc2C)cc(-c2ccccc2)n1 ZINC000328973632 571309518 /nfs/dbraw/zinc/30/95/18/571309518.db2.gz FBTCYIVWMXSMLZ-HNNXBMFYSA-N 0 0 411.347 6.169 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(Br)cc2C)cc(-c2ccccc2)n1 ZINC000328973633 571309229 /nfs/dbraw/zinc/30/92/29/571309229.db2.gz FBTCYIVWMXSMLZ-OAHLLOKOSA-N 0 0 411.347 6.169 40 0 HKABRN FC(F)(F)c1cccc(-c2nc(Cl)cc(Nc3cccc(Cl)c3Cl)n2)c1 ZINC000328973745 571305039 /nfs/dbraw/zinc/30/50/39/571305039.db2.gz FDLXGTXTXKPLQF-UHFFFAOYSA-N 0 0 418.633 6.866 40 0 HKABRN CC(C)(C)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000328974211 571305036 /nfs/dbraw/zinc/30/50/36/571305036.db2.gz FEABWHILWNRSNX-UHFFFAOYSA-N 0 0 421.854 6.165 40 0 HKABRN FC(F)(F)c1ccccc1Nc1cc(-c2ccccc2)nc(NC2CCCCC2)n1 ZINC000328974336 569384330 /nfs/dbraw/zinc/38/43/30/569384330.db2.gz FFSZWQGXLHOWEH-UHFFFAOYSA-N 0 0 412.459 5.494 40 0 HKABRN Cc1cc(Br)ccc1Nc1cc(-c2ccccc2)nc(NC(C)(C)C)n1 ZINC000328974746 569384456 /nfs/dbraw/zinc/38/44/56/569384456.db2.gz FGKNVJFXOBVLNS-UHFFFAOYSA-N 0 0 411.347 6.169 40 0 HKABRN Cc1cc(Nc2cc(-c3cccnc3)nc(N[C@H](CO)C(C)C)n2)ccc1C(C)C ZINC000328974836 569384329 /nfs/dbraw/zinc/38/43/29/569384329.db2.gz FGVCAHLRBJLDJA-JOCHJYFZSA-N 0 0 405.546 5.143 40 0 HKABRN Cc1cc(Nc2cc(-c3cccnc3)nc(N[C@@H](CO)C(C)C)n2)ccc1C(C)C ZINC000328974838 569384341 /nfs/dbraw/zinc/38/43/41/569384341.db2.gz FGVCAHLRBJLDJA-QFIPXVFZSA-N 0 0 405.546 5.143 40 0 HKABRN Clc1ccc(Cl)c(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)c1 ZINC000328974969 569384363 /nfs/dbraw/zinc/38/43/63/569384363.db2.gz FINXVKPNZIOFHM-UHFFFAOYSA-N 0 0 413.352 5.782 40 0 HKABRN FC(F)(F)c1cc(Nc2ccc(Cl)cc2Cl)nc(NC2CCCCC2)n1 ZINC000328974977 569384348 /nfs/dbraw/zinc/38/43/48/569384348.db2.gz FISOHXVCYSSCPU-UHFFFAOYSA-N 0 0 405.251 5.134 40 0 HKABRN CCNc1nc(Nc2ccc(Cl)c(C)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328975438 571307529 /nfs/dbraw/zinc/30/75/29/571307529.db2.gz FKKSIUIUQOVMOU-UHFFFAOYSA-N 0 0 422.838 6.179 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccn2)n1 ZINC000328975440 569384467 /nfs/dbraw/zinc/38/44/67/569384467.db2.gz FKLAYFPQGYQUBB-GFCCVEGCSA-N 0 0 421.854 5.009 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccn2)n1 ZINC000328975441 569384399 /nfs/dbraw/zinc/38/43/99/569384399.db2.gz FKLAYFPQGYQUBB-LBPRGKRZSA-N 0 0 421.854 5.009 40 0 HKABRN COC(=O)c1ccc(Nc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000328976139 522137405 /nfs/dbraw/zinc/13/74/05/522137405.db2.gz FNJAHRLUPBAQSE-UHFFFAOYSA-N 0 0 407.779 5.346 40 0 HKABRN Fc1cc(F)c(Nc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)c(F)c1 ZINC000328976267 569384373 /nfs/dbraw/zinc/38/43/73/569384373.db2.gz FNTHHMUTZCCQHQ-UHFFFAOYSA-N 0 0 403.713 5.399 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccccc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328976623 569384328 /nfs/dbraw/zinc/38/43/28/569384328.db2.gz FOZAPNZNRIBVHJ-HNNXBMFYSA-N 0 0 416.447 5.148 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccccc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328976630 569384623 /nfs/dbraw/zinc/38/46/23/569384623.db2.gz FOZAPNZNRIBVHJ-OAHLLOKOSA-N 0 0 416.447 5.148 40 0 HKABRN CC(C)(C)Nc1nc(Nc2ccc(F)cc2Br)cc(-c2ccccc2)n1 ZINC000328976719 571304768 /nfs/dbraw/zinc/30/47/68/571304768.db2.gz FPPJCEQQJXLTEL-UHFFFAOYSA-N 0 0 415.310 5.999 40 0 HKABRN CC(C)(C)Nc1nc(Nc2ccc(O)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328976726 569384549 /nfs/dbraw/zinc/38/45/49/569384549.db2.gz FPPVKYCVLSDFOZ-UHFFFAOYSA-N 0 0 418.419 5.702 40 0 HKABRN Cc1cc(Nc2cc(-c3ccncc3)nc(NC3CCCC3)n2)ccc1Br ZINC000328976889 571307691 /nfs/dbraw/zinc/30/76/91/571307691.db2.gz FQUIVGRUQWUMKP-UHFFFAOYSA-N 0 0 424.346 5.708 40 0 HKABRN Clc1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)c(Cl)c1 ZINC000328976899 569384607 /nfs/dbraw/zinc/38/46/07/569384607.db2.gz FRCWJBATMCEIID-UHFFFAOYSA-N 0 0 414.340 5.177 40 0 HKABRN Cc1cc(Br)cc(C)c1Nc1cc(C2CC2)nc(NC2CCCCC2)n1 ZINC000328977820 569384500 /nfs/dbraw/zinc/38/45/00/569384500.db2.gz FWFJDHAITRKFEL-UHFFFAOYSA-N 0 0 415.379 5.065 40 0 HKABRN Cc1ccc(Nc2cc(-c3ccccc3)nc(NC(C)(C)C)n2)c(Br)c1 ZINC000328978316 571308323 /nfs/dbraw/zinc/30/83/23/571308323.db2.gz FXPCZSFMFGGYEN-UHFFFAOYSA-N 0 0 411.347 6.169 40 0 HKABRN CC(C)(C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000328978360 571305028 /nfs/dbraw/zinc/30/50/28/571305028.db2.gz FYCBYXWPMJBJSY-UHFFFAOYSA-N 0 0 421.854 6.165 40 0 HKABRN Cc1ccc(Nc2cc(-c3cccnc3)nc(NC(C)(C)C)n2)cc1C(F)(F)F ZINC000328978423 571308400 /nfs/dbraw/zinc/30/84/00/571308400.db2.gz FZDZPBJTJHIHIU-UHFFFAOYSA-N 0 0 401.436 5.820 40 0 HKABRN CC(C)(C)Nc1nc(Nc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328978759 571304909 /nfs/dbraw/zinc/30/49/09/571304909.db2.gz GAGYPRKQLRWLTJ-UHFFFAOYSA-N 0 0 402.420 5.996 40 0 HKABRN Brc1cccc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)c1 ZINC000328978761 569384570 /nfs/dbraw/zinc/38/45/70/569384570.db2.gz GAIJNYSZVVPWQF-UHFFFAOYSA-N 0 0 423.358 5.238 40 0 HKABRN Clc1cccc(Nc2nc(C3CC3)cc(N3CCc4cc(Cl)ccc4C3)n2)c1 ZINC000328979198 571310447 /nfs/dbraw/zinc/31/04/47/571310447.db2.gz GEMQZNLBNXTTBR-UHFFFAOYSA-N 0 0 411.336 5.967 40 0 HKABRN FC(F)Oc1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)cc1 ZINC000328979595 571305132 /nfs/dbraw/zinc/30/51/32/571305132.db2.gz GHCJFPWQXLBCPC-UHFFFAOYSA-N 0 0 411.456 5.628 40 0 HKABRN CC(C)(C)c1ccc(Nc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000328980006 569384503 /nfs/dbraw/zinc/38/45/03/569384503.db2.gz GKHVANVMSNXXRF-UHFFFAOYSA-N 0 0 405.851 6.279 40 0 HKABRN Cc1cc(Nc2cc(-c3ccccn3)nc(N[C@H](CO)C(C)C)n2)ccc1C(C)C ZINC000328980368 569384605 /nfs/dbraw/zinc/38/46/05/569384605.db2.gz GLOZJWVVVOBBPS-JOCHJYFZSA-N 0 0 405.546 5.143 40 0 HKABRN Cc1cc(Nc2cc(-c3ccccn3)nc(N[C@@H](CO)C(C)C)n2)ccc1C(C)C ZINC000328980369 569384521 /nfs/dbraw/zinc/38/45/21/569384521.db2.gz GLOZJWVVVOBBPS-QFIPXVFZSA-N 0 0 405.546 5.143 40 0 HKABRN FC(F)(F)c1ccc(-c2nc(Cl)cc(Nc3ccc(Cl)cc3Cl)n2)cc1 ZINC000328980452 569384551 /nfs/dbraw/zinc/38/45/51/569384551.db2.gz GNQUQXMNWJFVDU-UHFFFAOYSA-N 0 0 418.633 6.288 40 0 HKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)C)n2)cc1 ZINC000328980749 571308408 /nfs/dbraw/zinc/30/84/08/571308408.db2.gz GODCZCDWYGQIMV-UHFFFAOYSA-N 0 0 402.420 5.915 40 0 HKABRN Brc1ccc2c(c1)CN(c1cc(NC3CCCC3)nc(C3CC3)n1)CC2 ZINC000328980788 569384591 /nfs/dbraw/zinc/38/45/91/569384591.db2.gz GPDQJSRKQBZIPJ-UHFFFAOYSA-N 0 0 413.363 5.034 40 0 HKABRN CC(C)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000328981175 569384559 /nfs/dbraw/zinc/38/45/59/569384559.db2.gz GRXINEXZRIWRSM-UHFFFAOYSA-N 0 0 422.838 5.103 40 0 HKABRN FC(F)(F)Sc1cccc(Nc2cc(C3CC3)nc(NC3CCCCC3)n2)c1 ZINC000328981676 569384537 /nfs/dbraw/zinc/38/45/37/569384537.db2.gz GVHRWLDVDXFGMQ-UHFFFAOYSA-N 0 0 408.493 5.298 40 0 HKABRN CC(C)(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C2CC2)n1 ZINC000328981817 571305149 /nfs/dbraw/zinc/30/51/49/571305149.db2.gz GWTHMXSULBDPCA-UHFFFAOYSA-N 0 0 418.385 6.346 40 0 HKABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1 ZINC000328982071 519816694 /nfs/dbraw/zinc/81/66/94/519816694.db2.gz GXTZSWKVRHYKIJ-IBGZPJMESA-N 0 0 416.447 5.335 40 0 HKABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1 ZINC000328982075 569384553 /nfs/dbraw/zinc/38/45/53/569384553.db2.gz GXTZSWKVRHYKIJ-LJQANCHMSA-N 0 0 416.447 5.335 40 0 HKABRN CC(C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000328982426 569384542 /nfs/dbraw/zinc/38/45/42/569384542.db2.gz HACSLNNWGLCNBO-UHFFFAOYSA-N 0 0 406.839 5.224 40 0 HKABRN COc1ccc(Cl)cc1Nc1cc(-c2ccccc2)nc(NC2CCCCC2)n1 ZINC000328982515 524218251 /nfs/dbraw/zinc/21/82/51/524218251.db2.gz HAZJGVHFARWYLJ-UHFFFAOYSA-N 0 0 408.933 5.138 40 0 HKABRN Clc1cccc(Cl)c1Nc1cc(-c2ccccn2)nc(NC2CCCCC2)n1 ZINC000328983641 526979354 /nfs/dbraw/zinc/97/93/54/526979354.db2.gz HHSKVSSYGZROAF-UHFFFAOYSA-N 0 0 414.340 5.177 40 0 HKABRN Clc1cccc(Cl)c1Nc1cc(-c2cccnc2)nc(NC2CCCCC2)n1 ZINC000328983670 526978658 /nfs/dbraw/zinc/97/86/58/526978658.db2.gz HHYDUCPTOXYNQS-UHFFFAOYSA-N 0 0 414.340 5.177 40 0 HKABRN Cc1ccccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC(C)(C)C)n1 ZINC000328983696 571308972 /nfs/dbraw/zinc/30/89/72/571308972.db2.gz HIIMZFGJQARXNA-UHFFFAOYSA-N 0 0 416.447 6.305 40 0 HKABRN Clc1ccc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)c(Cl)c1 ZINC000328984051 569384527 /nfs/dbraw/zinc/38/45/27/569384527.db2.gz HKDJOJMJWPUMCH-UHFFFAOYSA-N 0 0 413.352 5.782 40 0 HKABRN Clc1cccc(Cl)c1Nc1cc(-c2ccccc2)nc(NC2CCCCC2)n1 ZINC000328984094 569384563 /nfs/dbraw/zinc/38/45/63/569384563.db2.gz HKTSJGFLBCUGNG-UHFFFAOYSA-N 0 0 413.352 5.782 40 0 HKABRN CCCCC[C@H]1CC[C@H](c2ccc(OC(=O)c3ccc(OCCC)cc3)cc2)CC1 ZINC000328984116 569384598 /nfs/dbraw/zinc/38/45/98/569384598.db2.gz HLJDQIBXPVQNOG-HZCBDIJESA-N 0 0 408.582 7.549 40 0 HKABRN CC(C)(C)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000328984474 571304921 /nfs/dbraw/zinc/30/49/21/571304921.db2.gz HMVADKBWRUUJSS-UHFFFAOYSA-N 0 0 404.411 6.256 40 0 HKABRN FC(F)Oc1ccc(Nc2cc(C(F)(F)F)nc(NC3CCCCC3)n2)cc1 ZINC000328984845 571305084 /nfs/dbraw/zinc/30/50/84/571305084.db2.gz HPDMDEMPSQZSGY-UHFFFAOYSA-N 0 0 402.367 5.585 40 0 HKABRN Brc1ccccc1Nc1cc(-c2ccccc2)nc(NC2CCCCC2)n1 ZINC000328984928 569384515 /nfs/dbraw/zinc/38/45/15/569384515.db2.gz HQUDTMXXDJUXDS-UHFFFAOYSA-N 0 0 423.358 5.238 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(-c2ccccc2)n1 ZINC000328985262 571309618 /nfs/dbraw/zinc/30/96/18/571309618.db2.gz HRPHUFYQSDOASF-HNNXBMFYSA-N 0 0 416.447 6.305 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(-c2ccccc2)n1 ZINC000328985263 571309189 /nfs/dbraw/zinc/30/91/89/571309189.db2.gz HRPHUFYQSDOASF-OAHLLOKOSA-N 0 0 416.447 6.305 40 0 HKABRN CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccc2)n1 ZINC000328985267 571306110 /nfs/dbraw/zinc/30/61/10/571306110.db2.gz HRRFJWUAMVQSTM-IBGZPJMESA-N 0 0 417.340 5.623 40 0 HKABRN CC(C)[C@@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccc2)n1 ZINC000328985268 571305860 /nfs/dbraw/zinc/30/58/60/571305860.db2.gz HRRFJWUAMVQSTM-LJQANCHMSA-N 0 0 417.340 5.623 40 0 HKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccncc2)nc(NC(C)(C)C)n1 ZINC000328985282 569384498 /nfs/dbraw/zinc/38/44/98/569384498.db2.gz HRZOZSBAOVOBCS-UHFFFAOYSA-N 0 0 417.435 5.700 40 0 HKABRN CC(C)c1cc(N2Cc3ccccc3CC2(C)C)nc(Nc2cccc(Cl)c2)n1 ZINC000328986075 571306408 /nfs/dbraw/zinc/30/64/08/571306408.db2.gz HWBOMYAEUSZUAN-UHFFFAOYSA-N 0 0 406.961 6.338 40 0 HKABRN CC(C)(C)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(C(F)(F)F)n1 ZINC000328986955 571305140 /nfs/dbraw/zinc/30/51/40/571305140.db2.gz HZKAIFLKMZYIFJ-UHFFFAOYSA-N 0 0 412.765 6.122 40 0 HKABRN CNc1nc(Nc2ccc(Cl)c(C)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328987642 571306547 /nfs/dbraw/zinc/30/65/47/571306547.db2.gz ICKRWEBWMAQEDL-UHFFFAOYSA-N 0 0 408.811 5.789 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000328988216 569384524 /nfs/dbraw/zinc/38/45/24/569384524.db2.gz IEXBAGYHECDKTR-GFCCVEGCSA-N 0 0 421.854 5.009 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000328988217 569384624 /nfs/dbraw/zinc/38/46/24/569384624.db2.gz IEXBAGYHECDKTR-LBPRGKRZSA-N 0 0 421.854 5.009 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccncc2)n1 ZINC000328988228 569384520 /nfs/dbraw/zinc/38/45/20/569384520.db2.gz IFESKMBOFVQVBL-GFCCVEGCSA-N 0 0 421.854 5.009 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccncc2)n1 ZINC000328988229 569384497 /nfs/dbraw/zinc/38/44/97/569384497.db2.gz IFESKMBOFVQVBL-LBPRGKRZSA-N 0 0 421.854 5.009 40 0 HKABRN Cc1ccc(Nc2cc(C(F)(F)F)nc(NC3CCCCC3)n2)cc1C(F)(F)F ZINC000328989031 569384586 /nfs/dbraw/zinc/38/45/86/569384586.db2.gz IHZUPHANXLMMFW-UHFFFAOYSA-N 0 0 418.385 5.155 40 0 HKABRN CC(C)(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccncc2)n1 ZINC000328989109 571304998 /nfs/dbraw/zinc/30/49/98/571304998.db2.gz IIXLENHPQNUGKU-UHFFFAOYSA-N 0 0 421.854 6.165 40 0 HKABRN FC(F)(F)c1cc(Nc2c(Cl)cccc2Cl)nc(NC2CCCCC2)n1 ZINC000328989142 569384496 /nfs/dbraw/zinc/38/44/96/569384496.db2.gz IJDALRPRESJYQD-UHFFFAOYSA-N 0 0 405.251 5.134 40 0 HKABRN CCNc1nc(Nc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328989604 571307549 /nfs/dbraw/zinc/30/75/49/571307549.db2.gz IJZBGRQODWUXGJ-UHFFFAOYSA-N 0 0 408.811 5.871 40 0 HKABRN CC(C)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000328989722 569384540 /nfs/dbraw/zinc/38/45/40/569384540.db2.gz ILWYRFKPHDWPMG-UHFFFAOYSA-N 0 0 406.839 5.224 40 0 HKABRN FC(F)(F)c1ccc(Nc2cc(C(F)(F)F)nc(NC3CCCCC3)n2)cc1 ZINC000328990325 571304882 /nfs/dbraw/zinc/30/48/82/571304882.db2.gz INJLVUHWYDUXMG-UHFFFAOYSA-N 0 0 404.358 6.002 40 0 HKABRN FC(F)(F)c1cccc(-c2nc(Cl)cc(Nc3cc(Cl)ccc3Cl)n2)c1 ZINC000328990335 571304941 /nfs/dbraw/zinc/30/49/41/571304941.db2.gz INRRMOLILRTFGR-UHFFFAOYSA-N 0 0 418.633 6.866 40 0 HKABRN Cc1cc(Nc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)c(C)cc1Cl ZINC000328990905 569384504 /nfs/dbraw/zinc/38/45/04/569384504.db2.gz IPRZCCKCJUYLKJ-UHFFFAOYSA-N 0 0 412.242 6.830 40 0 HKABRN Cc1c(Nc2cc(-c3ccncc3)nc(NC(C)(C)C)n2)cccc1C(F)(F)F ZINC000328990918 571305547 /nfs/dbraw/zinc/30/55/47/571305547.db2.gz IPZDURMRYDGSOE-UHFFFAOYSA-N 0 0 401.436 5.820 40 0 HKABRN CC(C)[C@@H](CO)Nc1nc(Nc2cccc(Cl)c2Cl)cc(-c2ccccc2)n1 ZINC000328991885 571305916 /nfs/dbraw/zinc/30/59/16/571305916.db2.gz ISQUFBBRQSRHRU-GOSISDBHSA-N 0 0 417.340 5.623 40 0 HKABRN CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2Cl)cc(-c2ccccc2)n1 ZINC000328991888 571306162 /nfs/dbraw/zinc/30/61/62/571306162.db2.gz ISQUFBBRQSRHRU-SFHVURJKSA-N 0 0 417.340 5.623 40 0 HKABRN Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccccn2)nc(NC2CCCCC2)n1 ZINC000328991939 569384568 /nfs/dbraw/zinc/38/45/68/569384568.db2.gz ITJANJRFWQWVDZ-UHFFFAOYSA-N 0 0 407.949 5.141 40 0 HKABRN FC(F)(F)c1cc(Nc2cccc(Cl)c2Cl)nc(NC2CCCCC2)n1 ZINC000328992475 569384581 /nfs/dbraw/zinc/38/45/81/569384581.db2.gz IVKIADYLUBHETA-UHFFFAOYSA-N 0 0 405.251 5.134 40 0 HKABRN CC(C)(C)c1ccc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)cc1 ZINC000328992484 571305212 /nfs/dbraw/zinc/30/52/12/571305212.db2.gz IVQCQPQJKBVVME-UHFFFAOYSA-N 0 0 400.570 6.929 40 0 HKABRN COC(=O)c1ccc(Nc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000328992567 569384622 /nfs/dbraw/zinc/38/46/22/569384622.db2.gz IWXOZGFUYSSGTF-UHFFFAOYSA-N 0 0 407.779 5.346 40 0 HKABRN CC(C)(C)Nc1nc(-c2ccncc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328993094 569384546 /nfs/dbraw/zinc/38/45/46/569384546.db2.gz IYNOUXOCOHMZMC-UHFFFAOYSA-N 0 0 403.317 5.495 40 0 HKABRN Fc1cc(F)c(Nc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)c(F)c1 ZINC000328993143 571305268 /nfs/dbraw/zinc/30/52/68/571305268.db2.gz IZGCBWXXVHWVRC-UHFFFAOYSA-N 0 0 403.713 5.977 40 0 HKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(C(F)(F)F)nc(NC2CCCC2)n1 ZINC000328993800 571307752 /nfs/dbraw/zinc/30/77/52/571307752.db2.gz JCGPDENFCKPNFC-UHFFFAOYSA-N 0 0 420.357 5.801 40 0 HKABRN FC(F)(F)c1ccc(-c2nc(Cl)cc(Nc3cc(Cl)ccc3Cl)n2)cc1 ZINC000328993804 569384610 /nfs/dbraw/zinc/38/46/10/569384610.db2.gz JCIMYTBFAISYEF-UHFFFAOYSA-N 0 0 418.633 6.288 40 0 HKABRN Clc1ccc(NN=c2cc(-c3ccccn3)nc(NC3CCCC3)[nH]2)c(Cl)c1 ZINC000328994405 571310469 /nfs/dbraw/zinc/31/04/69/571310469.db2.gz JDBOAMHTFNEHSC-UHFFFAOYSA-N 0 0 415.328 5.639 40 0 HKABRN Cc1c(Nc2cc(-c3cccnc3)nc(NC(C)(C)C)n2)cccc1C(F)(F)F ZINC000328994406 571305491 /nfs/dbraw/zinc/30/54/91/571305491.db2.gz JDBVCWDTOUIWNB-UHFFFAOYSA-N 0 0 401.436 5.820 40 0 HKABRN CC(C)[C@@H](CO)Nc1nc(Nc2c(Cl)cccc2Cl)cc(-c2ccccc2)n1 ZINC000328995091 571305854 /nfs/dbraw/zinc/30/58/54/571305854.db2.gz JFXPFNSKYSPLJE-GOSISDBHSA-N 0 0 417.340 5.623 40 0 HKABRN CC(C)[C@H](CO)Nc1nc(Nc2c(Cl)cccc2Cl)cc(-c2ccccc2)n1 ZINC000328995093 571306096 /nfs/dbraw/zinc/30/60/96/571306096.db2.gz JFXPFNSKYSPLJE-SFHVURJKSA-N 0 0 417.340 5.623 40 0 HKABRN CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2ccccc2)n1 ZINC000328995815 571306107 /nfs/dbraw/zinc/30/61/07/571306107.db2.gz JIKUNEFOLGNZIA-IBGZPJMESA-N 0 0 417.340 5.623 40 0 HKABRN CC(C)[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2ccccc2)n1 ZINC000328995818 571305943 /nfs/dbraw/zinc/30/59/43/571305943.db2.gz JIKUNEFOLGNZIA-LJQANCHMSA-N 0 0 417.340 5.623 40 0 HKABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccc2)nc(NC2CCCC2)n1 ZINC000328995848 569384565 /nfs/dbraw/zinc/38/45/65/569384565.db2.gz JIQFIFUWIPNWIY-UHFFFAOYSA-N 0 0 412.459 5.413 40 0 HKABRN FC(F)(F)c1cccc(Cl)c1Nc1cc(C2CC2)nc(NC2CCCCC2)n1 ZINC000328996572 569384574 /nfs/dbraw/zinc/38/45/74/569384574.db2.gz JKIFMSKAJQWVOG-UHFFFAOYSA-N 0 0 410.871 5.358 40 0 HKABRN CC(C)c1cc(N2CCc3cc(Br)ccc3C2)nc(Nc2ccccc2)n1 ZINC000328996612 571306463 /nfs/dbraw/zinc/30/64/63/571306463.db2.gz JKPMNVRYKQJXRG-UHFFFAOYSA-N 0 0 423.358 5.669 40 0 HKABRN Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccccc2)nc(N[C@@H](CO)C(C)C)n1 ZINC000328996722 571306552 /nfs/dbraw/zinc/30/65/52/571306552.db2.gz JMMUHFQGHUBNCC-FQEVSTJZSA-N 0 0 410.949 5.586 40 0 HKABRN Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccccc2)nc(N[C@H](CO)C(C)C)n1 ZINC000328996723 571306535 /nfs/dbraw/zinc/30/65/35/571306535.db2.gz JMMUHFQGHUBNCC-HXUWFJFHSA-N 0 0 410.949 5.586 40 0 HKABRN Clc1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)cc1Cl ZINC000328997301 569384525 /nfs/dbraw/zinc/38/45/25/569384525.db2.gz JOFSMECJLPYNCK-UHFFFAOYSA-N 0 0 414.340 5.177 40 0 HKABRN FC(F)(F)c1cccc(-c2nc(Cl)cc(Nc3ccc(Cl)cc3Cl)n2)c1 ZINC000328997309 571304990 /nfs/dbraw/zinc/30/49/90/571304990.db2.gz JOMWPQCYQVIDLS-UHFFFAOYSA-N 0 0 418.633 6.866 40 0 HKABRN Cc1cc(Nc2cc(C3CC3)nc(NC3CCCCC3)n2)ccc1Br ZINC000328997929 571307746 /nfs/dbraw/zinc/30/77/46/571307746.db2.gz JQMGBKPJYUXHEW-UHFFFAOYSA-N 0 0 401.352 5.913 40 0 HKABRN Cc1cc(Br)ccc1Nc1cc(-c2cccnc2)nc(NC2CCCC2)n1 ZINC000328999301 571305716 /nfs/dbraw/zinc/30/57/16/571305716.db2.gz JWDNIGVCXZMOQH-UHFFFAOYSA-N 0 0 424.346 5.708 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(C(F)(F)F)n1 ZINC000328999304 571309640 /nfs/dbraw/zinc/30/96/40/571309640.db2.gz JWEBVMJFXWFJMO-JTQLQIEISA-N 0 0 408.346 5.656 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(C(F)(F)F)n1 ZINC000328999307 571309209 /nfs/dbraw/zinc/30/92/09/571309209.db2.gz JWEBVMJFXWFJMO-SNVBAGLBSA-N 0 0 408.346 5.656 40 0 HKABRN Cc1cc(Br)ccc1Nc1cc(-c2ccccn2)nc(NC2CCCC2)n1 ZINC000328999973 571305706 /nfs/dbraw/zinc/30/57/06/571305706.db2.gz JXQUZARSDLRWPY-UHFFFAOYSA-N 0 0 424.346 5.708 40 0 HKABRN FC(F)(F)c1ccc(Nc2cc(C(F)(F)F)nc(NC3CCCC3)n2)c(Cl)c1 ZINC000329000036 569384507 /nfs/dbraw/zinc/38/45/07/569384507.db2.gz JYRHGVRBIPRUAB-UHFFFAOYSA-N 0 0 424.776 5.110 40 0 HKABRN CC(C)(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccn2)n1 ZINC000329002751 571305014 /nfs/dbraw/zinc/30/50/14/571305014.db2.gz KIFNLXUCNULXCH-UHFFFAOYSA-N 0 0 421.854 6.165 40 0 HKABRN CC(C)(C)Nc1nc(NCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329002784 571304872 /nfs/dbraw/zinc/30/48/72/571304872.db2.gz KJBLMAHVFYMTKY-UHFFFAOYSA-N 0 0 416.447 5.865 40 0 HKABRN FC(F)(F)c1cc(=NNc2ccc(Cl)cc2Cl)[nH]c(NC2CCCCC2)n1 ZINC000329002846 571304782 /nfs/dbraw/zinc/30/47/82/571304782.db2.gz KJZWDEUIQUMPFT-UHFFFAOYSA-N 0 0 420.266 5.986 40 0 HKABRN Cc1c(Nc2cc(-c3ccccn3)nc(NC(C)(C)C)n2)cccc1C(F)(F)F ZINC000329002901 571305546 /nfs/dbraw/zinc/30/55/46/571305546.db2.gz KKPCJWIXGHXRLC-UHFFFAOYSA-N 0 0 401.436 5.820 40 0 HKABRN CCc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(Nc2cccc(Cl)c2)n1 ZINC000329003435 569384589 /nfs/dbraw/zinc/38/45/89/569384589.db2.gz KNEKLVKVTRHLQC-UHFFFAOYSA-N 0 0 422.960 5.226 40 0 HKABRN Cc1cc(Nc2cc(-c3cccnc3)nc(NC3CCCC3)n2)ccc1Br ZINC000329003997 571307648 /nfs/dbraw/zinc/30/76/48/571307648.db2.gz KQJFOZOZODGPPE-UHFFFAOYSA-N 0 0 424.346 5.708 40 0 HKABRN Clc1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)cc1Cl ZINC000329004289 569384499 /nfs/dbraw/zinc/38/44/99/569384499.db2.gz KQYCHGHTRRLUJE-UHFFFAOYSA-N 0 0 414.340 5.177 40 0 HKABRN CC1(C)CN(c2cc(C3CC3)nc(Nc3cccc(Cl)c3)n2)Cc2ccccc21 ZINC000329004332 571306744 /nfs/dbraw/zinc/30/67/44/571306744.db2.gz KRMOSZNPYHPVDA-UHFFFAOYSA-N 0 0 404.945 6.049 40 0 HKABRN Clc1ccc(Cl)c(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)c1 ZINC000329005938 569384621 /nfs/dbraw/zinc/38/46/21/569384621.db2.gz LAUJVCWMCFVZIJ-UHFFFAOYSA-N 0 0 414.340 5.177 40 0 HKABRN CC(C)(C)c1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)cc1 ZINC000329006267 571305206 /nfs/dbraw/zinc/30/52/06/571305206.db2.gz LBPBYEIHJHGWBO-UHFFFAOYSA-N 0 0 401.558 6.324 40 0 HKABRN Clc1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)c(Cl)c1 ZINC000329006280 569384505 /nfs/dbraw/zinc/38/45/05/569384505.db2.gz LCANLIALVIUSEY-UHFFFAOYSA-N 0 0 414.340 5.177 40 0 HKABRN Fc1ccc(-c2nc(Cl)cc(Nc3ccc(Cl)cc3Br)n2)cc1 ZINC000329007557 569384502 /nfs/dbraw/zinc/38/45/02/569384502.db2.gz LKMGOTDBNAEVCK-UHFFFAOYSA-N 0 0 413.077 5.518 40 0 HKABRN Fc1ccc(Nc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)c(F)c1F ZINC000329007593 571305192 /nfs/dbraw/zinc/30/51/92/571305192.db2.gz LLIXUFILIIMESK-UHFFFAOYSA-N 0 0 403.713 5.977 40 0 HKABRN Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccncc2)nc(NC2CCCCC2)n1 ZINC000329007636 569384620 /nfs/dbraw/zinc/38/46/20/569384620.db2.gz LLYIBCLSAVOBRB-UHFFFAOYSA-N 0 0 407.949 5.141 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000329007681 569384619 /nfs/dbraw/zinc/38/46/19/569384619.db2.gz LMSZHSVAWTZHRT-GFCCVEGCSA-N 0 0 421.854 5.009 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000329007683 569384584 /nfs/dbraw/zinc/38/45/84/569384584.db2.gz LMSZHSVAWTZHRT-LBPRGKRZSA-N 0 0 421.854 5.009 40 0 HKABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2ccccc2)n1 ZINC000329008069 571306187 /nfs/dbraw/zinc/30/61/87/571306187.db2.gz LOCSHCJZOWQJDJ-IBGZPJMESA-N 0 0 417.340 5.623 40 0 HKABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2ccccc2)n1 ZINC000329008070 571305932 /nfs/dbraw/zinc/30/59/32/571305932.db2.gz LOCSHCJZOWQJDJ-LJQANCHMSA-N 0 0 417.340 5.623 40 0 HKABRN CC(C)(C)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000329008130 571304946 /nfs/dbraw/zinc/30/49/46/571304946.db2.gz LPUWCQDTPSLLAU-UHFFFAOYSA-N 0 0 421.854 6.165 40 0 HKABRN FC(F)(F)c1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc(NC2CCCC2)n1 ZINC000329008465 527679713 /nfs/dbraw/zinc/67/97/13/527679713.db2.gz LQRLRZGXFOQZCQ-UHFFFAOYSA-N 0 0 424.776 5.110 40 0 HKABRN CC1(C)CN(c2cc(Nc3cccc(Cl)c3)nc(C3CC3)n2)Cc2ccccc21 ZINC000329008470 569384705 /nfs/dbraw/zinc/38/47/05/569384705.db2.gz LQSSEYCRBSCVTD-UHFFFAOYSA-N 0 0 404.945 6.049 40 0 HKABRN FC(F)Oc1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)cc1 ZINC000329008477 571305088 /nfs/dbraw/zinc/30/50/88/571305088.db2.gz LQVSDSDYOWSEOJ-UHFFFAOYSA-N 0 0 411.456 5.628 40 0 HKABRN CC(C)Nc1nc(Nc2ccccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329008507 569384757 /nfs/dbraw/zinc/38/47/57/569384757.db2.gz LRPAYLALXJKOCT-UHFFFAOYSA-N 0 0 422.838 5.103 40 0 HKABRN CC(C)(C)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000329008551 571304790 /nfs/dbraw/zinc/30/47/90/571304790.db2.gz LTBIEQXOEPADGJ-UHFFFAOYSA-N 0 0 420.866 6.770 40 0 HKABRN Fc1ccc(Nc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1Cl ZINC000329009011 569384676 /nfs/dbraw/zinc/38/46/76/569384676.db2.gz LUQYDIMZZWZDEZ-UHFFFAOYSA-N 0 0 402.178 5.774 40 0 HKABRN Cc1ccc(Nc2cc(-c3ccccc3)nc(NC3CCCC3)n2)c(Br)c1 ZINC000329009051 569384732 /nfs/dbraw/zinc/38/47/32/569384732.db2.gz LVEZOZWQYKITEA-UHFFFAOYSA-N 0 0 423.358 5.156 40 0 HKABRN CC(C)(C)Nc1nc(Nc2cccc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329009643 571304914 /nfs/dbraw/zinc/30/49/14/571304914.db2.gz LWESZDVAJPLXGB-UHFFFAOYSA-N 0 0 420.410 6.135 40 0 HKABRN Cc1cc(Br)ccc1Nc1cc(-c2ccccn2)nc(NC(C)(C)C)n1 ZINC000329010207 569384643 /nfs/dbraw/zinc/38/46/43/569384643.db2.gz LZZGNTUJMPVZIR-UHFFFAOYSA-N 0 0 412.335 5.564 40 0 HKABRN Clc1ccc(NN=c2cc(-c3cccnc3)nc(NC3CCCC3)[nH]2)c(Cl)c1 ZINC000329010788 571310474 /nfs/dbraw/zinc/31/04/74/571310474.db2.gz MBQVEDXMUOIZRK-UHFFFAOYSA-N 0 0 415.328 5.639 40 0 HKABRN CC(C)(C)Nc1nc(NCc2ccccc2Br)cc(-c2ccccc2)n1 ZINC000329012076 571304796 /nfs/dbraw/zinc/30/47/96/571304796.db2.gz MINKRJJDNRXPFK-UHFFFAOYSA-N 0 0 411.347 5.729 40 0 HKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(C2CC2)nc(NC2CCCCC2)n1 ZINC000329012108 571307860 /nfs/dbraw/zinc/30/78/60/571307860.db2.gz MJMKYBGXVMJQGJ-UHFFFAOYSA-N 0 0 406.452 6.049 40 0 HKABRN Clc1ccc(NN=c2cc(-c3ccncc3)nc(NC3CCCC3)[nH]2)c(Cl)c1 ZINC000329012576 571310517 /nfs/dbraw/zinc/31/05/17/571310517.db2.gz MKQLLHPHIOBGGG-UHFFFAOYSA-N 0 0 415.328 5.639 40 0 HKABRN Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccccc2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329013081 571308282 /nfs/dbraw/zinc/30/82/82/571308282.db2.gz MNWKVLRZXIIGIZ-FQEVSTJZSA-N 0 0 410.949 5.586 40 0 HKABRN Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccccc2)nc(N[C@H](CO)C(C)C)n1 ZINC000329013082 571308300 /nfs/dbraw/zinc/30/83/00/571308300.db2.gz MNWKVLRZXIIGIZ-HXUWFJFHSA-N 0 0 410.949 5.586 40 0 HKABRN FC(F)(F)c1cc(=NNc2ccc(Cl)cc2Cl)[nH]c(NC2CCCC2)n1 ZINC000329013096 571304787 /nfs/dbraw/zinc/30/47/87/571304787.db2.gz MOIXLMMZRGCCJV-UHFFFAOYSA-N 0 0 406.239 5.596 40 0 HKABRN Clc1cc(Cl)cc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)c1 ZINC000329013517 569384685 /nfs/dbraw/zinc/38/46/85/569384685.db2.gz MQDYMIFPGXROBZ-UHFFFAOYSA-N 0 0 413.352 5.782 40 0 HKABRN Cc1cc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)ccc1C(C)C ZINC000329014378 571307644 /nfs/dbraw/zinc/30/76/44/571307644.db2.gz MVMYAAVLTBMRMU-UHFFFAOYSA-N 0 0 401.558 6.459 40 0 HKABRN CCc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(Nc2cccc(Cl)c2)n1 ZINC000329014418 569384659 /nfs/dbraw/zinc/38/46/59/569384659.db2.gz MWJPITNNXBWMFD-UHFFFAOYSA-N 0 0 424.932 5.016 40 0 HKABRN CC(C)c1nc(Nc2cccc(Cl)c2)cc(N2Cc3ccccc3CC2(C)C)n1 ZINC000329015518 569384653 /nfs/dbraw/zinc/38/46/53/569384653.db2.gz NCDKRPOKRZYDDC-UHFFFAOYSA-N 0 0 406.961 6.338 40 0 HKABRN CC(C)(C)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000329015846 571304975 /nfs/dbraw/zinc/30/49/75/571304975.db2.gz NCKNYNGEVHMNOX-UHFFFAOYSA-N 0 0 418.488 6.710 40 0 HKABRN CC(C)(C)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000329016400 571305001 /nfs/dbraw/zinc/30/50/01/571305001.db2.gz NFODPESMYJCTAH-UHFFFAOYSA-N 0 0 405.399 5.651 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(-c2ccccn2)n1 ZINC000329016447 571309629 /nfs/dbraw/zinc/30/96/29/571309629.db2.gz NGPOXTGARZXTAE-AWEZNQCLSA-N 0 0 417.435 5.700 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(-c2ccccn2)n1 ZINC000329016448 571309196 /nfs/dbraw/zinc/30/91/96/571309196.db2.gz NGPOXTGARZXTAE-CQSZACIVSA-N 0 0 417.435 5.700 40 0 HKABRN Cc1cc(Br)ccc1Nc1cc(-c2cccnc2)nc(NC(C)(C)C)n1 ZINC000329016878 569384703 /nfs/dbraw/zinc/38/47/03/569384703.db2.gz NJRDQGWEAMWMJH-UHFFFAOYSA-N 0 0 412.335 5.564 40 0 HKABRN CC(C)(C)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(C2CC2)n1 ZINC000329016885 571305113 /nfs/dbraw/zinc/30/51/13/571305113.db2.gz NJWWQWSURCDMND-UHFFFAOYSA-N 0 0 400.832 5.860 40 0 HKABRN Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccccc2)nc(NC2CCCCC2)n1 ZINC000329017946 569384696 /nfs/dbraw/zinc/38/46/96/569384696.db2.gz NOBGJZNDGFCBOK-UHFFFAOYSA-N 0 0 406.961 5.746 40 0 HKABRN Cc1cc(Br)ccc1Nc1cc(C(F)(F)F)nc(NC2CCCC2)n1 ZINC000329018000 571305657 /nfs/dbraw/zinc/30/56/57/571305657.db2.gz NOPQKYLFHAZHRD-UHFFFAOYSA-N 0 0 415.257 5.664 40 0 HKABRN Cc1cc(Br)cc(C)c1Nc1cc(Cl)nc(-c2ccc(F)cc2)n1 ZINC000329018332 569384746 /nfs/dbraw/zinc/38/47/46/569384746.db2.gz NPKXSZYRNMPQGT-UHFFFAOYSA-N 0 0 406.686 5.481 40 0 HKABRN Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccccn2)nc(NC2CCCCC2)n1 ZINC000329018949 569384728 /nfs/dbraw/zinc/38/47/28/569384728.db2.gz NUCSSWYJHPYQCE-UHFFFAOYSA-N 0 0 407.949 5.141 40 0 HKABRN CCc1cc(N2CCc3cc(Br)ccc3C2)nc(Nc2ccccc2)n1 ZINC000329019909 569384720 /nfs/dbraw/zinc/38/47/20/569384720.db2.gz NZJBBXOWBDBFPG-UHFFFAOYSA-N 0 0 409.331 5.108 40 0 HKABRN CCNc1nc(Nc2c(C)cccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329020798 569384766 /nfs/dbraw/zinc/38/47/66/569384766.db2.gz OCPWMZNKKNGANP-UHFFFAOYSA-N 0 0 422.838 5.023 40 0 HKABRN FC(F)(F)Oc1ccc2c(c1)CN(c1ccnc(Nc3cccc(Cl)c3)n1)CC2 ZINC000329020865 569384750 /nfs/dbraw/zinc/38/47/50/569384750.db2.gz OEHACVCOTAIHEA-UHFFFAOYSA-N 0 0 420.822 5.335 40 0 HKABRN CC(C)c1cc(N2CCc3cc(Cl)ccc3C2)nc(Nc2cccc(Cl)c2)n1 ZINC000329020870 571306442 /nfs/dbraw/zinc/30/64/42/571306442.db2.gz OEKFMGKMMFBYQB-UHFFFAOYSA-N 0 0 413.352 6.213 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329020887 571309193 /nfs/dbraw/zinc/30/91/93/571309193.db2.gz OEUYOEJFBZAUSD-CYBMUJFWSA-N 0 0 420.410 6.135 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329020888 571309574 /nfs/dbraw/zinc/30/95/74/571309574.db2.gz OEUYOEJFBZAUSD-ZDUSSCGKSA-N 0 0 420.410 6.135 40 0 HKABRN Fc1cccc(-c2nc(Cl)cc(Nc3ccc(Br)c(Cl)c3)n2)c1 ZINC000329020891 571305266 /nfs/dbraw/zinc/30/52/66/571305266.db2.gz OEWHLCUDXLVYMM-UHFFFAOYSA-N 0 0 413.077 6.096 40 0 HKABRN CC(C)(C)c1ccc(Nc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000329021294 569384647 /nfs/dbraw/zinc/38/46/47/569384647.db2.gz OFRSGROLVPJXSU-UHFFFAOYSA-N 0 0 405.851 6.857 40 0 HKABRN CCNc1nc(Nc2cc(Cl)ccc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329021748 569384679 /nfs/dbraw/zinc/38/46/79/569384679.db2.gz OIMKHGYMNFBEJS-UHFFFAOYSA-N 0 0 422.838 5.023 40 0 HKABRN CC(C)(C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000329022116 571305010 /nfs/dbraw/zinc/30/50/10/571305010.db2.gz OKLXHGWYBDSLLS-UHFFFAOYSA-N 0 0 421.854 6.165 40 0 HKABRN COc1ccc(Cl)cc1Nc1cc(Cl)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000329022203 569384673 /nfs/dbraw/zinc/38/46/73/569384673.db2.gz OLYKPZFPNNPFCB-UHFFFAOYSA-N 0 0 414.214 5.643 40 0 HKABRN Fc1ccc(Nc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)c(F)c1F ZINC000329022263 569384745 /nfs/dbraw/zinc/38/47/45/569384745.db2.gz OMZOPONTWXCPCA-UHFFFAOYSA-N 0 0 403.713 5.399 40 0 HKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccccc2)nc(NC2CC2)n1 ZINC000329022602 571307723 /nfs/dbraw/zinc/30/77/23/571307723.db2.gz ONJSXSWOCOFJKM-UHFFFAOYSA-N 0 0 400.404 5.669 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccncc2)n1 ZINC000329023052 569384662 /nfs/dbraw/zinc/38/46/62/569384662.db2.gz ORJYPRZPUIISSP-GFCCVEGCSA-N 0 0 421.854 5.009 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccncc2)n1 ZINC000329023053 569384762 /nfs/dbraw/zinc/38/47/62/569384762.db2.gz ORJYPRZPUIISSP-LBPRGKRZSA-N 0 0 421.854 5.009 40 0 HKABRN Fc1cc(Nc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)cc(F)c1F ZINC000329023078 569384763 /nfs/dbraw/zinc/38/47/63/569384763.db2.gz OSECMIZJCOSLSK-UHFFFAOYSA-N 0 0 403.713 5.399 40 0 HKABRN FC(F)(F)c1cc(Nc2ccc(Cl)c(Cl)c2)nc(NC2CCCCC2)n1 ZINC000329023490 569384711 /nfs/dbraw/zinc/38/47/11/569384711.db2.gz OUEXUNOQROWEAG-UHFFFAOYSA-N 0 0 405.251 5.134 40 0 HKABRN CCc1cc(N2CCc3ccc(Br)cc3C2)nc(Nc2ccccc2)n1 ZINC000329023538 569384759 /nfs/dbraw/zinc/38/47/59/569384759.db2.gz OUROWUGFAXQQND-UHFFFAOYSA-N 0 0 409.331 5.108 40 0 HKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)cc1 ZINC000329023950 571308396 /nfs/dbraw/zinc/30/83/96/571308396.db2.gz OWVPEXSMTASXCX-UHFFFAOYSA-N 0 0 400.404 5.669 40 0 HKABRN C[C@H](O)c1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)nc(C3CC3)n1)C2 ZINC000329024473 569384714 /nfs/dbraw/zinc/38/47/14/569384714.db2.gz PACCPYJYWUYBKL-HNNXBMFYSA-N 0 0 420.944 5.367 40 0 HKABRN C[C@@H](O)c1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)nc(C3CC3)n1)C2 ZINC000329024476 569384742 /nfs/dbraw/zinc/38/47/42/569384742.db2.gz PACCPYJYWUYBKL-OAHLLOKOSA-N 0 0 420.944 5.367 40 0 HKABRN CCCCCOc1ccc(C(=O)Oc2ccc([C@H]3CC[C@H](CCC)CC3)cc2)cc1 ZINC000329024902 569384700 /nfs/dbraw/zinc/38/47/00/569384700.db2.gz PDFZIWGYZQKRAW-HZCBDIJESA-N 0 0 408.582 7.549 40 0 HKABRN COc1ccc(Nc2cc(-c3ccccc3)nc(NC(C)(C)C)n2)cc1C(F)(F)F ZINC000329025194 571309214 /nfs/dbraw/zinc/30/92/14/571309214.db2.gz PECPQGJDJBDJJB-UHFFFAOYSA-N 0 0 416.447 6.125 40 0 HKABRN COc1ccc(Cl)c(Nc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)c1 ZINC000329025204 571309100 /nfs/dbraw/zinc/30/91/00/571309100.db2.gz PELUWJLIQHUXRW-UHFFFAOYSA-N 0 0 414.214 6.221 40 0 HKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccccn2)nc(NC(C)(C)C)n1 ZINC000329025258 569384758 /nfs/dbraw/zinc/38/47/58/569384758.db2.gz PEZFXMWDFCHXSI-UHFFFAOYSA-N 0 0 417.435 5.700 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000329025276 569384639 /nfs/dbraw/zinc/38/46/39/569384639.db2.gz PFDBKPWPPMIUBB-CYBMUJFWSA-N 0 0 420.866 5.614 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000329025277 569384641 /nfs/dbraw/zinc/38/46/41/569384641.db2.gz PFDBKPWPPMIUBB-ZDUSSCGKSA-N 0 0 420.866 5.614 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccc2)n1 ZINC000329025294 569384747 /nfs/dbraw/zinc/38/47/47/569384747.db2.gz PFLCHIBFELRTBS-CYBMUJFWSA-N 0 0 420.866 5.614 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccc2)n1 ZINC000329025295 569384738 /nfs/dbraw/zinc/38/47/38/569384738.db2.gz PFLCHIBFELRTBS-ZDUSSCGKSA-N 0 0 420.866 5.614 40 0 HKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccccc2)nc(NC(C)C)n1 ZINC000329025372 571307797 /nfs/dbraw/zinc/30/77/97/571307797.db2.gz PGLVYEUZUQERAG-UHFFFAOYSA-N 0 0 402.420 5.915 40 0 HKABRN Cc1cc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)ccc1C(C)C ZINC000329026619 571307626 /nfs/dbraw/zinc/30/76/26/571307626.db2.gz PNUUYVVBBHKLGF-UHFFFAOYSA-N 0 0 401.558 6.459 40 0 HKABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccc2)nc(NC(C)(C)C)n1 ZINC000329026675 571308132 /nfs/dbraw/zinc/30/81/32/571308132.db2.gz PONFHVCVMNCEEQ-UHFFFAOYSA-N 0 0 400.448 6.425 40 0 HKABRN Brc1ccc2c(c1)CN(c1cc(Nc3ccccc3)nc(C3CC3)n1)CC2 ZINC000329027338 569384663 /nfs/dbraw/zinc/38/46/63/569384663.db2.gz PSAVVAKTTKSWDO-UHFFFAOYSA-N 0 0 421.342 5.423 40 0 HKABRN CNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329027387 571306501 /nfs/dbraw/zinc/30/65/01/571306501.db2.gz PSFABWCRBRZZGN-UHFFFAOYSA-N 0 0 416.447 6.125 40 0 HKABRN CC(C)(C)Nc1nc(-c2ccccn2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000329028684 569384725 /nfs/dbraw/zinc/38/47/25/569384725.db2.gz PWRRUOOJOXTXAJ-UHFFFAOYSA-N 0 0 403.317 5.495 40 0 HKABRN CC1(C)Cc2ccccc2CN1c1cc(Nc2cccc(Cl)c2)nc(C2CC2)n1 ZINC000329029246 569384632 /nfs/dbraw/zinc/38/46/32/569384632.db2.gz PYJVZSJBRZWCMP-UHFFFAOYSA-N 0 0 404.945 6.092 40 0 HKABRN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)cc1 ZINC000329029287 525322386 /nfs/dbraw/zinc/32/23/86/525322386.db2.gz PZFGHUFPPLXTOB-UHFFFAOYSA-N 0 0 416.447 6.305 40 0 HKABRN Clc1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)c(Cl)c1 ZINC000329029601 526956180 /nfs/dbraw/zinc/95/61/80/526956180.db2.gz PZJUYKACEBGJAI-UHFFFAOYSA-N 0 0 414.340 5.177 40 0 HKABRN Cc1c(Nc2cc(C(F)(F)F)nc(NC3CCCCC3)n2)cccc1C(F)(F)F ZINC000329030686 569384737 /nfs/dbraw/zinc/38/47/37/569384737.db2.gz QESMVKIHBUJPRF-UHFFFAOYSA-N 0 0 418.385 5.155 40 0 HKABRN Fc1cccc(-c2nc(Cl)cc(Nc3cc(F)c(Br)c(F)c3)n2)c1 ZINC000329030803 571305255 /nfs/dbraw/zinc/30/52/55/571305255.db2.gz QGUKPLIKXKBZSZ-UHFFFAOYSA-N 0 0 414.612 5.720 40 0 HKABRN FC(F)(F)c1cccc(-c2nc(Cl)cc(Nc3c(Cl)cccc3Cl)n2)c1 ZINC000329030809 571305035 /nfs/dbraw/zinc/30/50/35/571305035.db2.gz QGULJKZACUQNIV-UHFFFAOYSA-N 0 0 418.633 6.866 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2cc(C(F)(F)F)ccc2C)cc(-c2ccccc2)n1 ZINC000329031380 569384764 /nfs/dbraw/zinc/38/47/64/569384764.db2.gz QJDHVONGPQRVTO-HNNXBMFYSA-N 0 0 400.448 5.269 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2cc(C(F)(F)F)ccc2C)cc(-c2ccccc2)n1 ZINC000329031383 569384740 /nfs/dbraw/zinc/38/47/40/569384740.db2.gz QJDHVONGPQRVTO-OAHLLOKOSA-N 0 0 400.448 5.269 40 0 HKABRN Clc1cccc(Nc2nccc(N3CCc4ccc(Br)cc4C3)n2)c1 ZINC000329032218 569384761 /nfs/dbraw/zinc/38/47/61/569384761.db2.gz QMYBCCSWXKDTAN-UHFFFAOYSA-N 0 0 415.722 5.199 40 0 HKABRN Brc1ccc2c(c1)CCN(c1cc(Nc3ccccc3)nc(C3CC3)n1)C2 ZINC000329032688 569384754 /nfs/dbraw/zinc/38/47/54/569384754.db2.gz QOZMAMCBXBIWOQ-UHFFFAOYSA-N 0 0 421.342 5.423 40 0 HKABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccncc2)nc(NC(C)(C)C)n1 ZINC000329032744 571308058 /nfs/dbraw/zinc/30/80/58/571308058.db2.gz QPLVQJPXWZLUKQ-UHFFFAOYSA-N 0 0 401.436 5.820 40 0 HKABRN Cc1c(Nc2cc(-c3ccccc3)nc(NC(C)(C)C)n2)cccc1C(F)(F)F ZINC000329033283 571305553 /nfs/dbraw/zinc/30/55/53/571305553.db2.gz QTDQYDPVZLYEHV-UHFFFAOYSA-N 0 0 400.448 6.425 40 0 HKABRN Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccncc2)nc(NC2CCCCC2)n1 ZINC000329033285 569384767 /nfs/dbraw/zinc/38/47/67/569384767.db2.gz QTFHHBRPZPUALF-UHFFFAOYSA-N 0 0 407.949 5.141 40 0 HKABRN FC(F)(F)c1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)cc1 ZINC000329033361 571304866 /nfs/dbraw/zinc/30/48/66/571304866.db2.gz QTVNEKREEBLFLC-UHFFFAOYSA-N 0 0 413.447 6.046 40 0 HKABRN FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc(C3CC3)n1)C2 ZINC000329033787 569384690 /nfs/dbraw/zinc/38/46/90/569384690.db2.gz QWBPUXJDNGEQDC-UHFFFAOYSA-N 0 0 418.463 5.170 40 0 HKABRN Cc1cc(C)cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)C)n2)c1 ZINC000329034269 569384749 /nfs/dbraw/zinc/38/47/49/569384749.db2.gz QWXHBZWATGPNNA-UHFFFAOYSA-N 0 0 416.447 5.067 40 0 HKABRN CC(C)Nc1nc(Nc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329034288 571305717 /nfs/dbraw/zinc/30/57/17/571305717.db2.gz QXGNLYGAEPLQCU-UHFFFAOYSA-N 0 0 406.383 5.745 40 0 HKABRN Cc1cc(Nc2cc(C(F)(F)F)nc(NC3CCCC3)n2)ccc1Br ZINC000329034297 571307607 /nfs/dbraw/zinc/30/76/07/571307607.db2.gz QXLRXANBNIDBMD-UHFFFAOYSA-N 0 0 415.257 5.664 40 0 HKABRN CC(C)(C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccncc2)n1 ZINC000329034868 571305012 /nfs/dbraw/zinc/30/50/12/571305012.db2.gz RBPSXGICMIGBHH-UHFFFAOYSA-N 0 0 421.854 6.165 40 0 HKABRN CC(C)(C)c1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)cc1 ZINC000329036505 571305201 /nfs/dbraw/zinc/30/52/01/571305201.db2.gz RJOXZXXQQBGCGC-UHFFFAOYSA-N 0 0 401.558 6.324 40 0 HKABRN FC(F)(F)c1ccc(Nc2cc(C3CC3)nc(NC3CCCCC3)n2)c(Cl)c1 ZINC000329037082 569384901 /nfs/dbraw/zinc/38/49/01/569384901.db2.gz RLXRPPCTWIURAP-UHFFFAOYSA-N 0 0 410.871 5.358 40 0 HKABRN Cc1cc(Nc2cc(-c3cccnc3)nc(NC(C)(C)C)n2)ccc1Br ZINC000329037115 569384865 /nfs/dbraw/zinc/38/48/65/569384865.db2.gz RMFUKIITGPLTSI-UHFFFAOYSA-N 0 0 412.335 5.564 40 0 HKABRN Clc1cccc(Cl)c1Nc1cc(-c2ccncc2)nc(NC2CCCCC2)n1 ZINC000329037177 569384816 /nfs/dbraw/zinc/38/48/16/569384816.db2.gz RMZHTHCFSFNUDO-UHFFFAOYSA-N 0 0 414.340 5.177 40 0 HKABRN Cc1cc(Br)ccc1Nc1cc(C(F)(F)F)nc(NC(C)(C)C)n1 ZINC000329037521 569384806 /nfs/dbraw/zinc/38/48/06/569384806.db2.gz ROAZXFVXAILGSS-UHFFFAOYSA-N 0 0 403.246 5.520 40 0 HKABRN Clc1cc(Cl)cc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)c1 ZINC000329038669 569384851 /nfs/dbraw/zinc/38/48/51/569384851.db2.gz RUDKNYXTKJFFGO-UHFFFAOYSA-N 0 0 414.340 5.177 40 0 HKABRN CC(C)(C)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000329039120 571305022 /nfs/dbraw/zinc/30/50/22/571305022.db2.gz RVOSJMXBWJRYPY-UHFFFAOYSA-N 0 0 419.476 6.105 40 0 HKABRN Cc1cc(Nc2cc(-c3ccncc3)nc(N[C@H](CO)C(C)C)n2)ccc1C(C)C ZINC000329039151 569384876 /nfs/dbraw/zinc/38/48/76/569384876.db2.gz RWJXVVDLBDXZOX-JOCHJYFZSA-N 0 0 405.546 5.143 40 0 HKABRN Cc1cc(Nc2cc(-c3ccncc3)nc(N[C@@H](CO)C(C)C)n2)ccc1C(C)C ZINC000329039152 569384905 /nfs/dbraw/zinc/38/49/05/569384905.db2.gz RWJXVVDLBDXZOX-QFIPXVFZSA-N 0 0 405.546 5.143 40 0 HKABRN Fc1cccc(C(F)(F)F)c1Nc1cc(-c2ccccc2)nc(NC2CCCC2)n1 ZINC000329039169 569384804 /nfs/dbraw/zinc/38/48/04/569384804.db2.gz RWRQIMAZLIRDLK-UHFFFAOYSA-N 0 0 416.422 5.243 40 0 HKABRN Fc1ccc(-c2nc(Cl)cc(Nc3ccc(Br)c(Cl)c3)n2)cc1 ZINC000329039185 569384795 /nfs/dbraw/zinc/38/47/95/569384795.db2.gz RXDKISZOBHFHCS-UHFFFAOYSA-N 0 0 413.077 5.518 40 0 HKABRN Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)ccc1F ZINC000329040257 571307605 /nfs/dbraw/zinc/30/76/05/571307605.db2.gz SCANBNKWFJZUBB-UHFFFAOYSA-N 0 0 418.394 5.808 40 0 HKABRN CCc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(Nc2ccccc2)n1 ZINC000329040294 569384860 /nfs/dbraw/zinc/38/48/60/569384860.db2.gz SCNRFPWCEPABQW-UHFFFAOYSA-N 0 0 414.431 5.244 40 0 HKABRN CC(C)c1cc(N2Cc3ccccc3C(C)(C)C2)nc(Nc2cccc(Cl)c2)n1 ZINC000329040703 571306352 /nfs/dbraw/zinc/30/63/52/571306352.db2.gz SDKSOJWPXVLRDV-UHFFFAOYSA-N 0 0 406.961 6.295 40 0 HKABRN FC(F)(F)c1ccc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)cc1 ZINC000329040719 571304848 /nfs/dbraw/zinc/30/48/48/571304848.db2.gz SDOKHUHNJMHIHX-UHFFFAOYSA-N 0 0 412.459 6.651 40 0 HKABRN Brc1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc(C3CC3)n1)C2 ZINC000329040742 569384841 /nfs/dbraw/zinc/38/48/41/569384841.db2.gz SEIZSOGWAMBVFC-UHFFFAOYSA-N 0 0 413.363 5.034 40 0 HKABRN CC(C)(C)c1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)cc1 ZINC000329040788 571305232 /nfs/dbraw/zinc/30/52/32/571305232.db2.gz SFPPABTZIATHDR-UHFFFAOYSA-N 0 0 401.558 6.324 40 0 HKABRN CC(C)(C)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000329041360 571305033 /nfs/dbraw/zinc/30/50/33/571305033.db2.gz SIVOQQFNNMERRP-UHFFFAOYSA-N 0 0 402.420 5.996 40 0 HKABRN CC(C)(C)Nc1nc(-c2ccccc2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000329041852 569384819 /nfs/dbraw/zinc/38/48/19/569384819.db2.gz SKJFQIOGOUDKRC-UHFFFAOYSA-N 0 0 405.399 5.349 40 0 HKABRN Cc1nc2cc(Nc3cc(-c4ccccc4)nc(NC4CCCCC4)n3)ccc2s1 ZINC000329041883 569384878 /nfs/dbraw/zinc/38/48/78/569384878.db2.gz SKNOTXNBJULUKS-UHFFFAOYSA-N 0 0 415.566 5.394 40 0 HKABRN Clc1cccc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)c1Cl ZINC000329041935 569384840 /nfs/dbraw/zinc/38/48/40/569384840.db2.gz SLFMOPXCEMQMMQ-UHFFFAOYSA-N 0 0 414.340 5.177 40 0 HKABRN CC(C)(C)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000329041962 571304993 /nfs/dbraw/zinc/30/49/93/571304993.db2.gz SLRMSTBVVGNRCC-UHFFFAOYSA-N 0 0 405.399 5.651 40 0 HKABRN CC(C)(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(C(F)(F)F)n1 ZINC000329042010 571305147 /nfs/dbraw/zinc/30/51/47/571305147.db2.gz SMKZACSMBHBHBI-UHFFFAOYSA-N 0 0 412.765 6.122 40 0 HKABRN CC(C)c1nc(Nc2cccc(Cl)c2)cc(N2CCc3cc(Cl)ccc3C2)n1 ZINC000329042508 569384862 /nfs/dbraw/zinc/38/48/62/569384862.db2.gz SNAQHVWXPICRFW-UHFFFAOYSA-N 0 0 413.352 6.213 40 0 HKABRN CCCC1CCC(c2ccc(-c3ccc([C@H]4CC[C@H](CCC)CC4)cc3F)cc2)CC1 ZINC000329043102 569384847 /nfs/dbraw/zinc/38/48/47/569384847.db2.gz SRJLZDPWUSOULH-RHMIKRRMSA-N 0 0 420.656 9.641 40 0 HKABRN Cc1cc(Nc2cc(C(F)(F)F)nc(NC(C)(C)C)n2)ccc1Br ZINC000329043719 569384852 /nfs/dbraw/zinc/38/48/52/569384852.db2.gz SUMFDQPOIHLMRR-UHFFFAOYSA-N 0 0 403.246 5.520 40 0 HKABRN FC(F)(F)Sc1cccc(Nc2cc(C(F)(F)F)nc(NC3CCCC3)n2)c1 ZINC000329045936 569384908 /nfs/dbraw/zinc/38/49/08/569384908.db2.gz TXRMPMQYGUMPEW-UHFFFAOYSA-N 0 0 422.398 5.049 40 0 HKABRN FC(F)(F)c1ccc(-c2nc(Cl)cc(Nc3cccc(Cl)c3Cl)n2)cc1 ZINC000329046594 569384828 /nfs/dbraw/zinc/38/48/28/569384828.db2.gz UCJLJXQIQCUNKT-UHFFFAOYSA-N 0 0 418.633 6.288 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2cccc(Br)c2C)cc(-c2ccccc2)n1 ZINC000329047078 569384886 /nfs/dbraw/zinc/38/48/86/569384886.db2.gz UEMOGHSSCRDIIU-AWEZNQCLSA-N 0 0 411.347 5.012 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2cccc(Br)c2C)cc(-c2ccccc2)n1 ZINC000329047080 569384855 /nfs/dbraw/zinc/38/48/55/569384855.db2.gz UEMOGHSSCRDIIU-CQSZACIVSA-N 0 0 411.347 5.012 40 0 HKABRN CC(C)(C)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2cccnc2)n1 ZINC000329047831 571304939 /nfs/dbraw/zinc/30/49/39/571304939.db2.gz UHSMPHBJQGHWJA-UHFFFAOYSA-N 0 0 421.854 6.165 40 0 HKABRN Cc1ccc(Nc2cc(-c3ccncc3)nc(NC(C)(C)C)n2)cc1C(F)(F)F ZINC000329048291 571308402 /nfs/dbraw/zinc/30/84/02/571308402.db2.gz UJEUAJDMMQZJLX-UHFFFAOYSA-N 0 0 401.436 5.820 40 0 HKABRN Clc1cccc(Nc2nccc(N3CCc4cc(Br)ccc4C3)n2)c1 ZINC000329048368 569384835 /nfs/dbraw/zinc/38/48/35/569384835.db2.gz UJPTUDBTIYEVCK-UHFFFAOYSA-N 0 0 415.722 5.199 40 0 HKABRN Clc1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)cc1Cl ZINC000329048466 569384871 /nfs/dbraw/zinc/38/48/71/569384871.db2.gz UKLSNFSAAXVQNN-UHFFFAOYSA-N 0 0 414.340 5.177 40 0 HKABRN FC(F)Oc1ccc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)cc1 ZINC000329049095 571305065 /nfs/dbraw/zinc/30/50/65/571305065.db2.gz UOKGCAYVBLTKHR-UHFFFAOYSA-N 0 0 410.468 6.233 40 0 HKABRN Cc1cc(Br)cc(C)c1Nc1cc(C(F)(F)F)nc(NC(C)(C)C)n1 ZINC000329049497 571305663 /nfs/dbraw/zinc/30/56/63/571305663.db2.gz UOTNEHPUQCZXIF-UHFFFAOYSA-N 0 0 417.273 5.829 40 0 HKABRN Cc1cccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)C)n2)c1C ZINC000329049560 569384899 /nfs/dbraw/zinc/38/48/99/569384899.db2.gz UQCPEJLVCJPGJP-UHFFFAOYSA-N 0 0 416.447 5.067 40 0 HKABRN Cc1ccc(Nc2cc(-c3ccccc3)nc(NC3CCCC3)n2)cc1C(F)(F)F ZINC000329050026 569384872 /nfs/dbraw/zinc/38/48/72/569384872.db2.gz UROVSKLNCCQZER-UHFFFAOYSA-N 0 0 412.459 5.413 40 0 HKABRN CC(C)(C)Nc1nc(NCc2cccc(Br)c2)cc(-c2ccccc2)n1 ZINC000329050848 571304816 /nfs/dbraw/zinc/30/48/16/571304816.db2.gz UVEFYNKKZZMPAI-UHFFFAOYSA-N 0 0 411.347 5.729 40 0 HKABRN CC(C)(C)Nc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccccc2)n1 ZINC000329051401 571304919 /nfs/dbraw/zinc/30/49/19/571304919.db2.gz UWGFIAFIOIQJOS-UHFFFAOYSA-N 0 0 415.310 5.999 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(-c2ccncc2)n1 ZINC000329051470 571309615 /nfs/dbraw/zinc/30/96/15/571309615.db2.gz UXVVKMZSZRTOLH-AWEZNQCLSA-N 0 0 417.435 5.700 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(-c2ccncc2)n1 ZINC000329051471 571309203 /nfs/dbraw/zinc/30/92/03/571309203.db2.gz UXVVKMZSZRTOLH-CQSZACIVSA-N 0 0 417.435 5.700 40 0 HKABRN FC(F)(F)c1ccc(-c2nc(Cl)cc(Nc3c(Cl)cccc3Cl)n2)cc1 ZINC000329051922 569384850 /nfs/dbraw/zinc/38/48/50/569384850.db2.gz UZLBUMXAUPKJRP-UHFFFAOYSA-N 0 0 418.633 6.288 40 0 HKABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(C(F)(F)F)nc(NC2CCCCC2)n1 ZINC000329051942 569384877 /nfs/dbraw/zinc/38/48/77/569384877.db2.gz UZZZQSPBMTYVIE-UHFFFAOYSA-N 0 0 418.385 5.155 40 0 HKABRN Clc1cccc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)c1Cl ZINC000329052607 569384813 /nfs/dbraw/zinc/38/48/13/569384813.db2.gz VCVNSVMSPCFHOD-UHFFFAOYSA-N 0 0 414.340 5.177 40 0 HKABRN CC(C)(C)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000329052643 571304951 /nfs/dbraw/zinc/30/49/51/571304951.db2.gz VDIOMRPTFQFCFI-UHFFFAOYSA-N 0 0 419.476 6.105 40 0 HKABRN Cc1cc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)ccc1C(C)C ZINC000329053195 571307591 /nfs/dbraw/zinc/30/75/91/571307591.db2.gz VEMIYMRDVFVFIN-UHFFFAOYSA-N 0 0 401.558 6.459 40 0 HKABRN Cc1cc(Nc2cc(-c3ccccc3)nc(NC(C)(C)C)n2)ccc1Br ZINC000329053393 569384884 /nfs/dbraw/zinc/38/48/84/569384884.db2.gz VGFWPXIQFQJTOR-UHFFFAOYSA-N 0 0 411.347 6.169 40 0 HKABRN CC1(C)Cc2ccccc2CN1c1cc(C2CC2)nc(Nc2cccc(Cl)c2)n1 ZINC000329053411 571306737 /nfs/dbraw/zinc/30/67/37/571306737.db2.gz VGNCXVKKQAJMNU-UHFFFAOYSA-N 0 0 404.945 6.092 40 0 HKABRN Cc1cc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)ccc1C(C)C ZINC000329053886 571307678 /nfs/dbraw/zinc/30/76/78/571307678.db2.gz VHEZVIXUJTTXOL-UHFFFAOYSA-N 0 0 400.570 7.064 40 0 HKABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)n1 ZINC000329053893 569384911 /nfs/dbraw/zinc/38/49/11/569384911.db2.gz VHMWKLPHIQIWQS-JOCHJYFZSA-N 0 0 404.558 5.614 40 0 HKABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)n1 ZINC000329053894 569384895 /nfs/dbraw/zinc/38/48/95/569384895.db2.gz VHMWKLPHIQIWQS-QFIPXVFZSA-N 0 0 404.558 5.614 40 0 HKABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2cccnc2)n1 ZINC000329053958 569384893 /nfs/dbraw/zinc/38/48/93/569384893.db2.gz VIMMYSUHYAHPAJ-NRFANRHFSA-N 0 0 405.546 5.009 40 0 HKABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2cccnc2)n1 ZINC000329053959 569384848 /nfs/dbraw/zinc/38/48/48/569384848.db2.gz VIMMYSUHYAHPAJ-OAQYLSRUSA-N 0 0 405.546 5.009 40 0 HKABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000329054032 571306179 /nfs/dbraw/zinc/30/61/79/571306179.db2.gz VJEZKIATVRMDAK-IBGZPJMESA-N 0 0 417.340 5.623 40 0 HKABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000329054034 571305936 /nfs/dbraw/zinc/30/59/36/571305936.db2.gz VJEZKIATVRMDAK-LJQANCHMSA-N 0 0 417.340 5.623 40 0 HKABRN Cc1nc2cc(Nc3cc(-c4ccccc4)nc(NC4CCCC4)n3)ccc2s1 ZINC000329054114 569384853 /nfs/dbraw/zinc/38/48/53/569384853.db2.gz VJRJREOLZSFZLS-UHFFFAOYSA-N 0 0 401.539 5.004 40 0 HKABRN Cc1cc(Br)ccc1Nc1cc(-c2ccccc2)nc(NC2CCCC2)n1 ZINC000329054756 571305692 /nfs/dbraw/zinc/30/56/92/571305692.db2.gz VLEMWHZBAHXBPK-UHFFFAOYSA-N 0 0 423.358 6.313 40 0 HKABRN FC(F)(F)c1cc(Nc2cc(C3CC3)nc(NC3CCCCC3)n2)ccc1Cl ZINC000329055372 569384798 /nfs/dbraw/zinc/38/47/98/569384798.db2.gz VNJVUGDKRDTJDX-UHFFFAOYSA-N 0 0 410.871 5.358 40 0 HKABRN Cc1cc(Br)ccc1Nc1cc(-c2ccncc2)nc(NC(C)(C)C)n1 ZINC000329055375 569384849 /nfs/dbraw/zinc/38/48/49/569384849.db2.gz VNLXMGBWWZNOEI-UHFFFAOYSA-N 0 0 412.335 5.564 40 0 HKABRN Clc1cccc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)c1Cl ZINC000329056596 569384906 /nfs/dbraw/zinc/38/49/06/569384906.db2.gz VSKPABFZUMOZCF-UHFFFAOYSA-N 0 0 414.340 5.177 40 0 HKABRN CC(C)(C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C(F)(F)F)n1 ZINC000329057783 571305105 /nfs/dbraw/zinc/30/51/05/571305105.db2.gz VYYPYWDYMRXMNF-UHFFFAOYSA-N 0 0 412.765 6.122 40 0 HKABRN Fc1cc(Nc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)cc(F)c1F ZINC000329058481 571305215 /nfs/dbraw/zinc/30/52/15/571305215.db2.gz WDCSVERDHHGVRD-UHFFFAOYSA-N 0 0 403.713 5.977 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(-c2cccnc2)n1 ZINC000329059072 571309581 /nfs/dbraw/zinc/30/95/81/571309581.db2.gz WFMUNKZJNSDWNV-AWEZNQCLSA-N 0 0 417.435 5.700 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(-c2cccnc2)n1 ZINC000329059075 571309222 /nfs/dbraw/zinc/30/92/22/571309222.db2.gz WFMUNKZJNSDWNV-CQSZACIVSA-N 0 0 417.435 5.700 40 0 HKABRN CC(C)c1nc(Nc2cccc(Cl)c2)cc(N2CCc3cc([C@H](C)O)ccc3C2)n1 ZINC000329059134 569384844 /nfs/dbraw/zinc/38/48/44/569384844.db2.gz WGFAUWLGUWHXHG-INIZCTEOSA-N 0 0 422.960 5.613 40 0 HKABRN CC(C)c1nc(Nc2cccc(Cl)c2)cc(N2CCc3cc([C@@H](C)O)ccc3C2)n1 ZINC000329059138 569384822 /nfs/dbraw/zinc/38/48/22/569384822.db2.gz WGFAUWLGUWHXHG-MRXNPFEDSA-N 0 0 422.960 5.613 40 0 HKABRN FC(F)(F)c1ccc(Nc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000329059141 569384883 /nfs/dbraw/zinc/38/48/83/569384883.db2.gz WGFYHSCFANDMOK-UHFFFAOYSA-N 0 0 417.740 6.578 40 0 HKABRN Cc1cc(Br)cc(C)c1Nc1cc(Cl)nc(-c2cccc(F)c2)n1 ZINC000329059479 571305690 /nfs/dbraw/zinc/30/56/90/571305690.db2.gz WGPBSWCDYAYYAU-UHFFFAOYSA-N 0 0 406.686 6.059 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000329059604 569384809 /nfs/dbraw/zinc/38/48/09/569384809.db2.gz WIAKEBHVMWSSIJ-GFCCVEGCSA-N 0 0 421.854 5.009 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000329059605 569384838 /nfs/dbraw/zinc/38/48/38/569384838.db2.gz WIAKEBHVMWSSIJ-LBPRGKRZSA-N 0 0 421.854 5.009 40 0 HKABRN FC(F)(F)c1cccc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)c1 ZINC000329059607 569384869 /nfs/dbraw/zinc/38/48/69/569384869.db2.gz WICIJJBPNYRGJZ-UHFFFAOYSA-N 0 0 412.459 5.494 40 0 HKABRN Cc1c(Br)cccc1Nc1cc(-c2ccccc2)nc(NC(C)(C)C)n1 ZINC000329060310 571305568 /nfs/dbraw/zinc/30/55/68/571305568.db2.gz WLIAAENKWBDMSG-UHFFFAOYSA-N 0 0 411.347 6.169 40 0 HKABRN COc1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)nc(C3CC3)n1)C2 ZINC000329060325 569384866 /nfs/dbraw/zinc/38/48/66/569384866.db2.gz WLPSTRXZAZXNMS-UHFFFAOYSA-N 0 0 406.917 5.322 40 0 HKABRN Clc1cccc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)c1Cl ZINC000329060340 569384831 /nfs/dbraw/zinc/38/48/31/569384831.db2.gz WMFOWBTZNQDNKZ-UHFFFAOYSA-N 0 0 413.352 5.782 40 0 HKABRN CC(C)c1cc(N2CCc3ccc(Br)cc3C2)nc(Nc2ccccc2)n1 ZINC000329060567 571306440 /nfs/dbraw/zinc/30/64/40/571306440.db2.gz WMNFOFBTWTWESM-UHFFFAOYSA-N 0 0 423.358 5.669 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(C)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329060646 571309612 /nfs/dbraw/zinc/30/96/12/571309612.db2.gz WMZHMDYIHHAGLG-HNNXBMFYSA-N 0 0 416.447 6.305 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(C)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329060648 571309204 /nfs/dbraw/zinc/30/92/04/571309204.db2.gz WMZHMDYIHHAGLG-OAHLLOKOSA-N 0 0 416.447 6.305 40 0 HKABRN CC(C)Nc1nc(Nc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329060683 571305694 /nfs/dbraw/zinc/30/56/94/571305694.db2.gz WNDJPVYELHLENA-UHFFFAOYSA-N 0 0 422.838 6.260 40 0 HKABRN Cc1cc(Nc2cc(-c3ccccn3)nc(NC3CCCC3)n2)ccc1Br ZINC000329061298 571307609 /nfs/dbraw/zinc/30/76/09/571307609.db2.gz WQROXDIEUIOHLT-UHFFFAOYSA-N 0 0 424.346 5.708 40 0 HKABRN CC(C)c1nc(Nc2ccccc2)cc(N2CCc3cc(C(C)(C)O)ccc3C2)n1 ZINC000329061834 569385018 /nfs/dbraw/zinc/38/50/18/569385018.db2.gz WUVAZBFUSVCMKU-UHFFFAOYSA-N 0 0 402.542 5.134 40 0 HKABRN CC(C)(C)Nc1nc(NCc2cccs2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329062187 571304773 /nfs/dbraw/zinc/30/47/73/571304773.db2.gz WVLIHLJZJYINSY-UHFFFAOYSA-N 0 0 422.476 5.926 40 0 HKABRN FC(F)Oc1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)cc1 ZINC000329062384 571305153 /nfs/dbraw/zinc/30/51/53/571305153.db2.gz WXEDEJDRHCRBNO-UHFFFAOYSA-N 0 0 411.456 5.628 40 0 HKABRN FC(F)(F)c1cc(Nc2cc(Cl)ccc2Cl)nc(NC2CCCCC2)n1 ZINC000329062766 569384961 /nfs/dbraw/zinc/38/49/61/569384961.db2.gz WYQJIQFNBJQBKL-UHFFFAOYSA-N 0 0 405.251 5.134 40 0 HKABRN CC(C)(C)Nc1nc(Nc2ccccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329062871 571304916 /nfs/dbraw/zinc/30/49/16/571304916.db2.gz WZTHRDNDFBNJMY-UHFFFAOYSA-N 0 0 420.410 6.135 40 0 HKABRN FC(F)(F)c1cc(Nc2cc(Cl)cc(Cl)c2)nc(NC2CCCCC2)n1 ZINC000329062933 569384997 /nfs/dbraw/zinc/38/49/97/569384997.db2.gz XAXCFTWWFKOEBC-UHFFFAOYSA-N 0 0 405.251 5.134 40 0 HKABRN COc1ccc(Cl)c(Nc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000329062935 569385054 /nfs/dbraw/zinc/38/50/54/569385054.db2.gz XAYAUWDHOZVPPV-UHFFFAOYSA-N 0 0 414.214 5.643 40 0 HKABRN CCNc1nc(Nc2ccc(F)cc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329062958 571307534 /nfs/dbraw/zinc/30/75/34/571307534.db2.gz XBKVUJPSRMJDTI-UHFFFAOYSA-N 0 0 406.383 5.665 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000329063359 569384975 /nfs/dbraw/zinc/38/49/75/569384975.db2.gz XDFZKTDHJCQBCB-GFCCVEGCSA-N 0 0 421.854 5.009 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000329063360 569385027 /nfs/dbraw/zinc/38/50/27/569385027.db2.gz XDFZKTDHJCQBCB-LBPRGKRZSA-N 0 0 421.854 5.009 40 0 HKABRN Fc1ccc(Cl)c(Nc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000329063368 569385003 /nfs/dbraw/zinc/38/50/03/569385003.db2.gz XDLQENSOVXFKAI-UHFFFAOYSA-N 0 0 402.178 5.774 40 0 HKABRN FC(F)(F)Oc1ccc2c(c1)CN(c1cc(NC3CCCC3)nc(C3CC3)n1)CC2 ZINC000329063448 569384993 /nfs/dbraw/zinc/38/49/93/569384993.db2.gz XEPMTAKOCSUACV-UHFFFAOYSA-N 0 0 418.463 5.170 40 0 HKABRN Cc1ccc(C)c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)C)n2)c1 ZINC000329064232 569384971 /nfs/dbraw/zinc/38/49/71/569384971.db2.gz XIBOPPUDOAYNDF-UHFFFAOYSA-N 0 0 416.447 5.067 40 0 HKABRN Fc1cc(Nc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)ccc1Cl ZINC000329064313 571305173 /nfs/dbraw/zinc/30/51/73/571305173.db2.gz XIZYZWJVZAHYKS-UHFFFAOYSA-N 0 0 402.178 6.352 40 0 HKABRN Clc1ccc(Cl)c(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)c1 ZINC000329064402 569385051 /nfs/dbraw/zinc/38/50/51/569385051.db2.gz XJTUIQYIQDKCPZ-UHFFFAOYSA-N 0 0 414.340 5.177 40 0 HKABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccn2)nc(NC(C)(C)C)n1 ZINC000329064418 571308137 /nfs/dbraw/zinc/30/81/37/571308137.db2.gz XJYCHPPTYDDNHX-UHFFFAOYSA-N 0 0 401.436 5.820 40 0 HKABRN Cc1ccc(Nc2cc(-c3ccccn3)nc(NC(C)(C)C)n2)cc1C(F)(F)F ZINC000329064650 571308362 /nfs/dbraw/zinc/30/83/62/571308362.db2.gz XKQHMVFZFMOBBW-UHFFFAOYSA-N 0 0 401.436 5.820 40 0 HKABRN Cc1c(Nc2cc(-c3ccccc3)nc(NC3CCCC3)n2)cccc1C(F)(F)F ZINC000329065026 569384963 /nfs/dbraw/zinc/38/49/63/569384963.db2.gz XNIVHFMREXWGGJ-UHFFFAOYSA-N 0 0 412.459 5.413 40 0 HKABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(C(F)(F)F)nc(NC(C)(C)C)n1 ZINC000329065336 569384979 /nfs/dbraw/zinc/38/49/79/569384979.db2.gz XQCQBZJUUKKJTD-UHFFFAOYSA-N 0 0 408.346 5.656 40 0 HKABRN FC(F)(F)c1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)cc1 ZINC000329065445 571304785 /nfs/dbraw/zinc/30/47/85/571304785.db2.gz XRTCEGGPLMLXLS-UHFFFAOYSA-N 0 0 413.447 6.046 40 0 HKABRN Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)C)n2)ccc1F ZINC000329065674 571307638 /nfs/dbraw/zinc/30/76/38/571307638.db2.gz XTPQXFSWQPQTHB-UHFFFAOYSA-N 0 0 420.410 6.054 40 0 HKABRN Fc1cccc(-c2nc(Cl)cc(Nc3ccc(C(F)(F)F)cc3Cl)n2)c1 ZINC000329066001 571305253 /nfs/dbraw/zinc/30/52/53/571305253.db2.gz XWFNYTNPWOBJAS-UHFFFAOYSA-N 0 0 402.178 6.352 40 0 HKABRN Cc1ccc(Cl)c(C)c1Nc1cc(-c2cccnc2)nc(NC2CCCCC2)n1 ZINC000329066147 569384954 /nfs/dbraw/zinc/38/49/54/569384954.db2.gz XXPPEVFPKQGBQK-UHFFFAOYSA-N 0 0 407.949 5.141 40 0 HKABRN CC(C)(C)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccncc2)n1 ZINC000329066297 571304964 /nfs/dbraw/zinc/30/49/64/571304964.db2.gz XZHLECNEEUIFSI-UHFFFAOYSA-N 0 0 419.476 6.105 40 0 HKABRN CC(C)(C)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2cccnc2)n1 ZINC000329066304 571305008 /nfs/dbraw/zinc/30/50/08/571305008.db2.gz XZJFDTJZCQSDTA-UHFFFAOYSA-N 0 0 405.399 5.651 40 0 HKABRN CC(C)(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2cccnc2)n1 ZINC000329066367 571304954 /nfs/dbraw/zinc/30/49/54/571304954.db2.gz YAODFBKJOYNWES-UHFFFAOYSA-N 0 0 421.854 6.165 40 0 HKABRN Cc1cc(Nc2cc(-c3ccccc3)nc(NC3CCCC3)n2)ccc1Br ZINC000329066623 571307681 /nfs/dbraw/zinc/30/76/81/571307681.db2.gz YCNCMVMCYXHHBW-UHFFFAOYSA-N 0 0 423.358 6.313 40 0 HKABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccncc2)n1 ZINC000329066892 569385037 /nfs/dbraw/zinc/38/50/37/569385037.db2.gz YEARCHOVHKGNNT-NRFANRHFSA-N 0 0 405.546 5.009 40 0 HKABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccncc2)n1 ZINC000329066893 569384992 /nfs/dbraw/zinc/38/49/92/569384992.db2.gz YEARCHOVHKGNNT-OAQYLSRUSA-N 0 0 405.546 5.009 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000329067228 569385004 /nfs/dbraw/zinc/38/50/04/569385004.db2.gz YGPDNWBXTRXHPX-AWEZNQCLSA-N 0 0 418.488 5.553 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000329067230 569385007 /nfs/dbraw/zinc/38/50/07/569385007.db2.gz YGPDNWBXTRXHPX-CQSZACIVSA-N 0 0 418.488 5.553 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2cccc(C(F)(F)F)c2C)cc(-c2ccccc2)n1 ZINC000329067613 569385000 /nfs/dbraw/zinc/38/50/00/569385000.db2.gz YJEWTZJOZZKTQV-AWEZNQCLSA-N 0 0 400.448 5.269 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2cccc(C(F)(F)F)c2C)cc(-c2ccccc2)n1 ZINC000329067614 569384986 /nfs/dbraw/zinc/38/49/86/569384986.db2.gz YJEWTZJOZZKTQV-CQSZACIVSA-N 0 0 400.448 5.269 40 0 HKABRN Cc1cc(Nc2cc(-c3ccccn3)nc(NC(C)(C)C)n2)ccc1Br ZINC000329067729 569385043 /nfs/dbraw/zinc/38/50/43/569385043.db2.gz YKKFFUFGLLWHOP-UHFFFAOYSA-N 0 0 412.335 5.564 40 0 HKABRN Fc1ccc(-c2nc(Cl)cc(Nc3cc(F)c(Br)c(F)c3)n2)cc1 ZINC000329068335 569384958 /nfs/dbraw/zinc/38/49/58/569384958.db2.gz YPSBSFYKLWBDQK-UHFFFAOYSA-N 0 0 414.612 5.142 40 0 HKABRN Cc1cc(Nc2cc(-c3ccccc3)nc(N[C@H](CO)C(C)C)n2)ccc1C(C)C ZINC000329068345 569384983 /nfs/dbraw/zinc/38/49/83/569384983.db2.gz YPWGPKWSYGSDIO-HSZRJFAPSA-N 0 0 404.558 5.748 40 0 HKABRN Cc1cc(Nc2cc(-c3ccccc3)nc(N[C@@H](CO)C(C)C)n2)ccc1C(C)C ZINC000329068346 569385010 /nfs/dbraw/zinc/38/50/10/569385010.db2.gz YPWGPKWSYGSDIO-QHCPKHFHSA-N 0 0 404.558 5.748 40 0 HKABRN Clc1ccc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)cc1Cl ZINC000329068573 569384990 /nfs/dbraw/zinc/38/49/90/569384990.db2.gz YQOAOMVGFMRMEM-UHFFFAOYSA-N 0 0 413.352 5.782 40 0 HKABRN CC(C)(C)Nc1nc(-c2ccccc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000329068981 569385039 /nfs/dbraw/zinc/38/50/39/569385039.db2.gz YTIOYBQVYVIIGM-UHFFFAOYSA-N 0 0 402.329 6.100 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000329069078 569384980 /nfs/dbraw/zinc/38/49/80/569384980.db2.gz YUQSPUMHRZUKGD-CYBMUJFWSA-N 0 0 420.866 5.614 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000329069079 569384959 /nfs/dbraw/zinc/38/49/59/569384959.db2.gz YUQSPUMHRZUKGD-ZDUSSCGKSA-N 0 0 420.866 5.614 40 0 HKABRN CC[C@@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C2CC2)n1 ZINC000329069088 569385045 /nfs/dbraw/zinc/38/50/45/569385045.db2.gz YUTMWKFZEZDOJD-CYBMUJFWSA-N 0 0 406.452 5.026 40 0 HKABRN CC[C@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C2CC2)n1 ZINC000329069090 569385013 /nfs/dbraw/zinc/38/50/13/569385013.db2.gz YUTMWKFZEZDOJD-ZDUSSCGKSA-N 0 0 406.452 5.026 40 0 HKABRN COc1ccc(Cl)cc1Nc1cc(Cl)nc(-c2cccc(C(F)(F)F)c2)n1 ZINC000329069435 571309058 /nfs/dbraw/zinc/30/90/58/571309058.db2.gz YXYOYEFCTUPUGR-UHFFFAOYSA-N 0 0 414.214 6.221 40 0 HKABRN Fc1cc(Nc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)ccc1Cl ZINC000329069671 569385023 /nfs/dbraw/zinc/38/50/23/569385023.db2.gz YZDLZLFCBZBWQH-UHFFFAOYSA-N 0 0 402.178 5.774 40 0 HKABRN Fc1ccc(Nc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)cc1Cl ZINC000329070000 571305169 /nfs/dbraw/zinc/30/51/69/571305169.db2.gz ZCJPPFVGFWUFLG-UHFFFAOYSA-N 0 0 402.178 6.352 40 0 HKABRN CC(C)(C)Nc1nc(Nc2ccc(Br)cc2F)cc(-c2ccccc2)n1 ZINC000329070053 571304819 /nfs/dbraw/zinc/30/48/19/571304819.db2.gz ZDVFNPKKYFGJIJ-UHFFFAOYSA-N 0 0 415.310 5.999 40 0 HKABRN FC(F)(F)c1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)cc1 ZINC000329070557 571304864 /nfs/dbraw/zinc/30/48/64/571304864.db2.gz ZHRNRFFXFOOSTA-UHFFFAOYSA-N 0 0 413.447 6.046 40 0 HKABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2cccnc2)nc(NC(C)(C)C)n1 ZINC000329070929 571308135 /nfs/dbraw/zinc/30/81/35/571308135.db2.gz ZLMHABTWWZSYLH-UHFFFAOYSA-N 0 0 401.436 5.820 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000329070934 569384965 /nfs/dbraw/zinc/38/49/65/569384965.db2.gz ZLPDBZHWAZKMKX-CYBMUJFWSA-N 0 0 404.411 5.099 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000329070935 569385041 /nfs/dbraw/zinc/38/50/41/569385041.db2.gz ZLPDBZHWAZKMKX-ZDUSSCGKSA-N 0 0 404.411 5.099 40 0 HKABRN CC(C)(C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000329070958 571304765 /nfs/dbraw/zinc/30/47/65/571304765.db2.gz ZMFJPDZDSTXQFA-UHFFFAOYSA-N 0 0 420.866 6.770 40 0 HKABRN Fc1ccc(Cl)c(Nc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)c1 ZINC000329070965 571305263 /nfs/dbraw/zinc/30/52/63/571305263.db2.gz ZMJKKLFMXKNWHP-UHFFFAOYSA-N 0 0 402.178 6.352 40 0 HKABRN Cc1cc(F)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CC2)n1 ZINC000329071081 571306618 /nfs/dbraw/zinc/30/66/18/571306618.db2.gz ZMVLVBKAQSBQAY-UHFFFAOYSA-N 0 0 418.394 5.808 40 0 HKABRN Cc1cccc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC(C)C)n1 ZINC000329071209 569384998 /nfs/dbraw/zinc/38/49/98/569384998.db2.gz ZNTAOYNPPVJFFH-UHFFFAOYSA-N 0 0 416.447 5.067 40 0 HKABRN Cc1ccc(Nc2cc(-c3ccccc3)nc(NC(C)(C)C)n2)cc1C(F)(F)F ZINC000329071543 571308415 /nfs/dbraw/zinc/30/84/15/571308415.db2.gz ZQTQLXOULTYTQO-UHFFFAOYSA-N 0 0 400.448 6.425 40 0 HKABRN Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccccc2)nc(NC2CCCCC2)n1 ZINC000329071779 569384973 /nfs/dbraw/zinc/38/49/73/569384973.db2.gz ZSPACBAUZUXVKY-UHFFFAOYSA-N 0 0 406.961 5.746 40 0 HKABRN CC(C)(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccc2)n1 ZINC000329071899 571304833 /nfs/dbraw/zinc/30/48/33/571304833.db2.gz ZTNCOXPORMPYBQ-UHFFFAOYSA-N 0 0 420.866 6.770 40 0 HKABRN CC[C@H](C)Nc1nc(Nc2ccc(C)c(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000329072098 569384969 /nfs/dbraw/zinc/38/49/69/569384969.db2.gz ZUPITRMFWNQGDW-HNNXBMFYSA-N 0 0 400.448 5.269 40 0 HKABRN CC[C@@H](C)Nc1nc(Nc2ccc(C)c(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000329072099 569384976 /nfs/dbraw/zinc/38/49/76/569384976.db2.gz ZUPITRMFWNQGDW-OAHLLOKOSA-N 0 0 400.448 5.269 40 0 HKABRN O=C(Nc1ccc(Br)c(Cl)c1)c1ccccc1OCc1ccccc1 ZINC000381438393 571228672 /nfs/dbraw/zinc/22/86/72/571228672.db2.gz KIFKPJCYFGVMNS-UHFFFAOYSA-N 0 0 416.702 5.934 40 0 HKABRN OCc1cc(Br)cc(Br)c1OCc1cccc2ccccc21 ZINC000390467254 571256518 /nfs/dbraw/zinc/25/65/18/571256518.db2.gz GKXGTLJNEIPNKK-UHFFFAOYSA-N 0 0 422.116 5.436 40 0 HKABRN CC(C)CCC[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@@]21C ZINC000390822440 571257888 /nfs/dbraw/zinc/25/78/88/571257888.db2.gz YEYCQJVCAMFWCO-HDPIFEAJSA-N 0 0 414.674 7.569 40 0 HKABRN CC(C)CCC[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@@]21C ZINC000390822441 571257911 /nfs/dbraw/zinc/25/79/11/571257911.db2.gz YEYCQJVCAMFWCO-JWSUMXJSSA-N 0 0 414.674 7.569 40 0 HKABRN CC(C)CCC[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@@]21C ZINC000390822442 571257896 /nfs/dbraw/zinc/25/78/96/571257896.db2.gz YEYCQJVCAMFWCO-QPNRSTRISA-N 0 0 414.674 7.569 40 0 HKABRN COc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Br)c1O ZINC000392324497 571263185 /nfs/dbraw/zinc/26/31/85/571263185.db2.gz XUVKISRXOSBPHJ-UHFFFAOYSA-N 0 0 400.272 5.568 40 0 HKABRN Clc1cc(NCc2cccc(OCc3ccccc3)c2)ccc1Br ZINC000394460240 559274668 /nfs/dbraw/zinc/27/46/68/559274668.db2.gz YNQUVIJQJPYPHJ-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1cccc(Cl)c1 ZINC000408526966 558463217 /nfs/dbraw/zinc/46/32/17/558463217.db2.gz IMEBUZKYTZSOLC-UHFFFAOYSA-N 0 0 413.717 5.163 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Oc2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)cc1 ZINC000408527054 558463199 /nfs/dbraw/zinc/46/31/99/558463199.db2.gz DSGYVSWOYNLCQK-UHFFFAOYSA-N 0 0 424.500 6.453 40 0 HKABRN O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1ccc(Cl)cc1Cl ZINC000408527120 558463208 /nfs/dbraw/zinc/46/32/08/558463208.db2.gz ASIBFVWNEDSUSD-UHFFFAOYSA-N 0 0 421.283 6.337 40 0 HKABRN O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccccc1Cl ZINC000408527709 557290197 /nfs/dbraw/zinc/29/01/97/557290197.db2.gz HCGBVYQARPFURI-UHFFFAOYSA-N 0 0 402.837 5.809 40 0 HKABRN CSc1ncc(/C=C/C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cn1 ZINC000408527878 557296355 /nfs/dbraw/zinc/29/63/55/557296355.db2.gz CWIPUGUBJJPUPI-RMKNXTFCSA-N 0 0 404.520 5.127 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Oc2ccc(-c3ccc(-c4ccccc4)cc3)nn2)cc1 ZINC000408527932 558465154 /nfs/dbraw/zinc/46/51/54/558465154.db2.gz DIEYYJUENUQYBK-UHFFFAOYSA-N 0 0 408.501 6.327 40 0 HKABRN Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)cc1C ZINC000408527986 558465205 /nfs/dbraw/zinc/46/52/05/558465205.db2.gz PTTCUFSLKWVQHG-UHFFFAOYSA-N 0 0 407.326 5.126 40 0 HKABRN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1ccc(Cl)cc1 ZINC000408527991 558465170 /nfs/dbraw/zinc/46/51/70/558465170.db2.gz QALOSKFOSDWRIR-UHFFFAOYSA-N 0 0 413.717 5.163 40 0 HKABRN COc1ccc(-c2cc(C)nc(SCC(=O)Nc3cccc4ccccc43)n2)cc1 ZINC000408528160 558465163 /nfs/dbraw/zinc/46/51/63/558465163.db2.gz STWTZZCAQSSABH-UHFFFAOYSA-N 0 0 415.518 5.345 40 0 HKABRN CCOc1ccccc1-c1nnc(SCc2ccc(Cl)cc2Cl)n1CC ZINC000408528276 558465495 /nfs/dbraw/zinc/46/54/95/558465495.db2.gz VKQKQTBXTRWSTB-UHFFFAOYSA-N 0 0 408.354 5.963 40 0 HKABRN CCN(CC)c1ccc(N2C(=O)c3cccc4c(N5CCCC5)ccc(c43)C2=O)cc1 ZINC000408528407 558465399 /nfs/dbraw/zinc/46/53/99/558465399.db2.gz HOCRXFRJHLIFGN-UHFFFAOYSA-N 0 0 413.521 5.087 40 0 HKABRN O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1cccc(Cl)c1 ZINC000408528633 558465677 /nfs/dbraw/zinc/46/56/77/558465677.db2.gz KGJFMHUTCSELAH-UHFFFAOYSA-N 0 0 402.837 5.809 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCC ZINC000408528683 558465691 /nfs/dbraw/zinc/46/56/91/558465691.db2.gz FTUNHCWXACIMBZ-UHFFFAOYSA-N 0 0 405.494 6.309 40 0 HKABRN CC(=O)Nc1ccccc1SCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000408528977 558465939 /nfs/dbraw/zinc/46/59/39/558465939.db2.gz YOMWMOKVODYPMH-UHFFFAOYSA-N 0 0 406.532 5.567 40 0 HKABRN Clc1ccc(CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c(Cl)c1 ZINC000408529091 558466052 /nfs/dbraw/zinc/46/60/52/558466052.db2.gz ZXDBFKOOGYLLJU-UHFFFAOYSA-N 0 0 405.137 6.378 40 0 HKABRN Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2cccc3ccccc32)n1 ZINC000408529107 558466147 /nfs/dbraw/zinc/46/61/47/558466147.db2.gz ZXPFCPZVHWHBRK-UHFFFAOYSA-N 0 0 419.937 5.989 40 0 HKABRN COc1ccc(Cl)cc1C(=O)Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000408529364 557295165 /nfs/dbraw/zinc/29/51/65/557295165.db2.gz HBKIDLJWSFIFTJ-UHFFFAOYSA-N 0 0 416.864 5.692 40 0 HKABRN O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccc(Cl)cc1 ZINC000408529537 557295367 /nfs/dbraw/zinc/29/53/67/557295367.db2.gz MDOHJCBYTDUCBV-UHFFFAOYSA-N 0 0 402.837 5.809 40 0 HKABRN COc1ccc(C(=O)Oc2ccc(-c3ccc(-c4ccccc4)cc3)nn2)cc1OC ZINC000408529858 558466584 /nfs/dbraw/zinc/46/65/84/558466584.db2.gz HTDUIYRBMFHSOB-UHFFFAOYSA-N 0 0 412.445 5.047 40 0 HKABRN CCOc1ccc(-c2ccc(OC(=O)C(c3ccccc3)c3ccccc3)nn2)cc1 ZINC000408530184 558464975 /nfs/dbraw/zinc/46/49/75/558464975.db2.gz IZMMLVDPOXELAB-UHFFFAOYSA-N 0 0 410.473 5.280 40 0 HKABRN CSc1ncc(/C=C/C(=O)Nc2nc(-c3cccc4ccccc43)cs2)cn1 ZINC000408530655 558464944 /nfs/dbraw/zinc/46/49/44/558464944.db2.gz KAODPIYVMCYUEJ-MDZDMXLPSA-N 0 0 404.520 5.127 40 0 HKABRN O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1cccc2ccccc21 ZINC000408530711 558471453 /nfs/dbraw/zinc/47/14/53/558471453.db2.gz QUUITBKKXKVGIQ-UHFFFAOYSA-N 0 0 418.452 6.308 40 0 HKABRN COc1cc(OC)cc(C(=O)Oc2ccc(-c3ccc(-c4ccccc4)cc3)nn2)c1 ZINC000408531926 558474507 /nfs/dbraw/zinc/47/45/07/558474507.db2.gz MVKQUVVNZISWLN-UHFFFAOYSA-N 0 0 412.445 5.047 40 0 HKABRN O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)C12CC3CC(CC(C3)C1)C2 ZINC000408533125 558466807 /nfs/dbraw/zinc/46/68/07/558466807.db2.gz PUFDVABFHYFRHQ-UHFFFAOYSA-N 0 0 410.517 5.932 40 0 HKABRN CCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(-c4ccccc4)cc3)nn2)cc1 ZINC000408533353 558475641 /nfs/dbraw/zinc/47/56/41/558475641.db2.gz QMGNKFOBPGWDHP-UHFFFAOYSA-N 0 0 424.500 6.209 40 0 HKABRN O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1cccc2ccccc21 ZINC000408535472 558477249 /nfs/dbraw/zinc/47/72/49/558477249.db2.gz ZDHYQHYIILPXCP-UHFFFAOYSA-N 0 0 402.453 6.183 40 0 HKABRN C/C(=C\c1cc(Br)ccc1OC(=O)/C=C/c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000408536643 558477638 /nfs/dbraw/zinc/47/76/38/558477638.db2.gz SIFIBLJFJOLVFB-MYDPPTLSSA-N 0 0 422.662 5.359 40 0 HKABRN O=C(Oc1ccc(Br)cc1/C=C/[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000408538258 558483784 /nfs/dbraw/zinc/48/37/84/558483784.db2.gz ZQEMDIKOEHYQPJ-AATRIKPKSA-N 0 0 417.042 5.223 40 0 HKABRN CCOc1cc(C=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408538991 558478186 /nfs/dbraw/zinc/47/81/86/558478186.db2.gz DCHBXCFILINGRJ-UHFFFAOYSA-N 0 0 406.478 5.455 40 0 HKABRN COc1cc(COc2c(Cl)cc(CO)cc2Cl)ccc1OCc1ccccc1 ZINC000408539419 558487909 /nfs/dbraw/zinc/48/79/09/558487909.db2.gz HIWWRCPHQJTRSP-UHFFFAOYSA-N 0 0 419.304 5.652 40 0 HKABRN CCOc1cc(CO)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408540367 558488820 /nfs/dbraw/zinc/48/88/20/558488820.db2.gz QVFZUBQKTCMDOQ-UHFFFAOYSA-N 0 0 408.494 5.134 40 0 HKABRN O=C(CSc1nc2ccccc2s1)N1c2ccccc2S[C@@H]2C=CC=C[C@H]21 ZINC000408542261 557360129 /nfs/dbraw/zinc/36/01/29/557360129.db2.gz IAPJZVQXXRVAGX-CRAIPNDOSA-N 0 0 408.573 5.391 40 0 HKABRN O=C(CSc1nc2ccccc2s1)N1c2ccccc2S[C@@H]2C=CC=C[C@@H]21 ZINC000408542265 558487526 /nfs/dbraw/zinc/48/75/26/558487526.db2.gz IAPJZVQXXRVAGX-MAUKXSAKSA-N 0 0 408.573 5.391 40 0 HKABRN O=C(CSc1nc2ccccc2s1)N1c2ccccc2S[C@H]2C=CC=C[C@H]21 ZINC000408542267 558487505 /nfs/dbraw/zinc/48/75/05/558487505.db2.gz IAPJZVQXXRVAGX-QAPCUYQASA-N 0 0 408.573 5.391 40 0 HKABRN O=C(CSc1nc2ccccc2s1)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21 ZINC000408542269 557360203 /nfs/dbraw/zinc/36/02/03/557360203.db2.gz IAPJZVQXXRVAGX-YJBOKZPZSA-N 0 0 408.573 5.391 40 0 HKABRN O=C(CSCc1c(F)cccc1Cl)Nc1ccccc1Sc1ccccc1 ZINC000408542741 558487865 /nfs/dbraw/zinc/48/78/65/558487865.db2.gz AFZLZDYJLOFTOK-UHFFFAOYSA-N 0 0 417.958 6.502 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000408542916 558487860 /nfs/dbraw/zinc/48/78/60/558487860.db2.gz BEWRBTKARYGENN-UHFFFAOYSA-N 0 0 422.550 5.391 40 0 HKABRN O=C(CSCc1c(F)cccc1Cl)NCCSCc1cccc(Cl)c1 ZINC000408543552 558491126 /nfs/dbraw/zinc/49/11/26/558491126.db2.gz FFNDSBIMXKMSML-UHFFFAOYSA-N 0 0 418.386 5.415 40 0 HKABRN O=C(CSc1cccc2ccccc21)N1c2ccccc2S[C@@H]2C=CC=C[C@H]21 ZINC000408543853 558491051 /nfs/dbraw/zinc/49/10/51/558491051.db2.gz RYTMQLGHKWODCX-DENIHFKCSA-N 0 0 401.556 5.934 40 0 HKABRN O=C(CSc1cccc2ccccc21)N1c2ccccc2S[C@H]2C=CC=C[C@H]21 ZINC000408543854 558491156 /nfs/dbraw/zinc/49/11/56/558491156.db2.gz RYTMQLGHKWODCX-KNQAVFIVSA-N 0 0 401.556 5.934 40 0 HKABRN O=C(CSc1cccc2ccccc21)N1c2ccccc2S[C@@H]2C=CC=C[C@@H]21 ZINC000408543855 558491346 /nfs/dbraw/zinc/49/13/46/558491346.db2.gz RYTMQLGHKWODCX-SIKLNZKXSA-N 0 0 401.556 5.934 40 0 HKABRN O=C(CSc1cccc2ccccc21)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21 ZINC000408543856 558491313 /nfs/dbraw/zinc/49/13/13/558491313.db2.gz RYTMQLGHKWODCX-UGKGYDQZSA-N 0 0 401.556 5.934 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000408543876 557360684 /nfs/dbraw/zinc/36/06/84/557360684.db2.gz FRJAPWOPUYMDJJ-UHFFFAOYSA-N 0 0 402.346 6.846 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000408544042 558491417 /nfs/dbraw/zinc/49/14/17/558491417.db2.gz GRZHRWOMABZGKS-UHFFFAOYSA-N 0 0 416.373 6.524 40 0 HKABRN Fc1cnc(Nc2cccc(Cl)c2Cl)nc1Nc1cccc(Cl)c1Cl ZINC000408544043 571305171 /nfs/dbraw/zinc/30/51/71/571305171.db2.gz RMZVOBHCYNWBPL-UHFFFAOYSA-N 0 0 418.086 6.717 40 0 HKABRN O=C(CSc1cccc2ccccc21)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000408544195 558491610 /nfs/dbraw/zinc/49/16/10/558491610.db2.gz SYKBRWUVSGYIIT-UHFFFAOYSA-N 0 0 412.942 5.061 40 0 HKABRN COC(=O)c1cccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1C ZINC000408544408 557361401 /nfs/dbraw/zinc/36/14/01/557361401.db2.gz IMUBBOVTIBVJSZ-UHFFFAOYSA-N 0 0 405.519 5.635 40 0 HKABRN Fc1cnc(Nc2ccc(Cl)cc2Cl)nc1Nc1ccc(Cl)cc1Cl ZINC000408545433 571305196 /nfs/dbraw/zinc/30/51/96/571305196.db2.gz YQIWWUICIHKHBP-UHFFFAOYSA-N 0 0 418.086 6.717 40 0 HKABRN Fc1cnc(Nc2ccc(Cl)c(Cl)c2)nc1Nc1ccc(Cl)c(Cl)c1 ZINC000408545502 571305185 /nfs/dbraw/zinc/30/51/85/571305185.db2.gz ZHULVAPQANJFPA-UHFFFAOYSA-N 0 0 418.086 6.717 40 0 HKABRN CCc1cccc(CC)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000408545839 558496350 /nfs/dbraw/zinc/49/63/50/558496350.db2.gz OVQCDTZAIBLHDU-UHFFFAOYSA-N 0 0 422.550 5.173 40 0 HKABRN CCN(C(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)c1ccccc1 ZINC000408546696 558497276 /nfs/dbraw/zinc/49/72/76/558497276.db2.gz NAPKIQPOHDFMKU-UHFFFAOYSA-N 0 0 417.456 5.308 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1Cl ZINC000408546770 558497504 /nfs/dbraw/zinc/49/75/04/558497504.db2.gz VMACHPZMFLMLMB-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN O=C(CSCc1c(F)cccc1Cl)Nc1ccc(Br)c(Cl)c1 ZINC000408546771 558497469 /nfs/dbraw/zinc/49/74/69/558497469.db2.gz VMRHATHFOQRYCB-UHFFFAOYSA-N 0 0 423.134 5.767 40 0 HKABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000408546955 558497392 /nfs/dbraw/zinc/49/73/92/558497392.db2.gz HVGMDUQEZPUEMN-UHFFFAOYSA-N 0 0 415.902 5.093 40 0 HKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(C)C)ccc1C ZINC000408547206 558497913 /nfs/dbraw/zinc/49/79/13/558497913.db2.gz WZELYSKLSOVBCM-UHFFFAOYSA-N 0 0 422.550 5.480 40 0 HKABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000408547954 557370479 /nfs/dbraw/zinc/37/04/79/557370479.db2.gz PAKDABUNTPPJEN-UHFFFAOYSA-N 0 0 418.562 5.679 40 0 HKABRN COc1ccc(-c2cc(C(F)(F)F)nc(SCc3ccc(F)cc3)n2)cc1OC ZINC000408548169 558492283 /nfs/dbraw/zinc/49/22/83/558492283.db2.gz QDBXNJVVUWAEQP-UHFFFAOYSA-N 0 0 424.419 5.611 40 0 HKABRN COc1ccc(-c2cc(C(F)(F)F)nc(SCc3ccccc3)n2)cc1OC ZINC000408548447 558492419 /nfs/dbraw/zinc/49/24/19/558492419.db2.gz RTYJAKPKJQSHKT-UHFFFAOYSA-N 0 0 406.429 5.472 40 0 HKABRN COc1cc(C)c(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1OC ZINC000408549198 558494806 /nfs/dbraw/zinc/49/48/06/558494806.db2.gz QQWWPCLZERDEOC-NVMNQCDNSA-N 0 0 421.877 5.041 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3-c3ccccc3)cc2)cc1 ZINC000408549343 558495195 /nfs/dbraw/zinc/49/51/95/558495195.db2.gz XTOLBOXLOYCAFU-UHFFFAOYSA-N 0 0 409.554 7.207 40 0 HKABRN Cc1cc(-c2ccc(Cl)cc2)nc(Sc2oc(C=O)cc2Br)n1 ZINC000408550449 558499506 /nfs/dbraw/zinc/49/95/06/558499506.db2.gz CFGFNQWAAPKCDC-UHFFFAOYSA-N 0 0 409.692 5.425 40 0 HKABRN CCc1ccc(NC(=O)c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000408551084 558499517 /nfs/dbraw/zinc/49/95/17/558499517.db2.gz AWONAWQFWZJKBE-UHFFFAOYSA-N 0 0 409.913 6.051 40 0 HKABRN COc1cc(C(=O)NCc2cccc3ccccc32)ccc1OCc1ccc(C)cc1 ZINC000408551310 558499383 /nfs/dbraw/zinc/49/93/83/558499383.db2.gz CAFZOFJSEIOTAI-UHFFFAOYSA-N 0 0 411.501 5.666 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408551421 558499394 /nfs/dbraw/zinc/49/93/94/558499394.db2.gz CQTBVYGPQLCANE-UHFFFAOYSA-N 0 0 423.940 6.441 40 0 HKABRN COc1cccc(NC(=O)c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)c1 ZINC000408551469 558499457 /nfs/dbraw/zinc/49/94/57/558499457.db2.gz CXEIHMAEVCYOMP-UHFFFAOYSA-N 0 0 411.885 5.497 40 0 HKABRN COc1ccccc1NC(=O)CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000408551641 558499419 /nfs/dbraw/zinc/49/94/19/558499419.db2.gz DXGULJGPUAVYDG-UHFFFAOYSA-N 0 0 401.572 5.727 40 0 HKABRN COc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccc(C)cc1 ZINC000408551668 558499739 /nfs/dbraw/zinc/49/97/39/558499739.db2.gz FEWPASBOOSRNRX-UHFFFAOYSA-N 0 0 415.411 5.854 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408551751 558499629 /nfs/dbraw/zinc/49/96/29/558499629.db2.gz FUQNISODRDJNHW-UHFFFAOYSA-N 0 0 411.885 5.584 40 0 HKABRN CCOc1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(C)cc1 ZINC000408551849 558499641 /nfs/dbraw/zinc/49/96/41/558499641.db2.gz GOERIJSGVJSMRK-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1cc(C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408551856 558499713 /nfs/dbraw/zinc/49/97/13/558499713.db2.gz GPOBWPFKZLWXKU-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN COc1cc(C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408551867 557440670 /nfs/dbraw/zinc/44/06/70/557440670.db2.gz GRDPCYGTWZXTIE-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(C)cc1 ZINC000408552056 558499670 /nfs/dbraw/zinc/49/96/70/558499670.db2.gz GXSJUXVCTQXUEG-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408552074 558499685 /nfs/dbraw/zinc/49/96/85/558499685.db2.gz HARWOWOXBOGPNO-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN COc1cc(C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408552083 558499619 /nfs/dbraw/zinc/49/96/19/558499619.db2.gz HEAHDZFLBTWQCI-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN CCOc1cc(C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408552127 558499626 /nfs/dbraw/zinc/49/96/26/558499626.db2.gz HLEGMZLFHRLVDC-UHFFFAOYSA-N 0 0 409.913 5.556 40 0 HKABRN CCOc1cc(C(=O)OCC(=O)c2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000408552236 558499605 /nfs/dbraw/zinc/49/96/05/558499605.db2.gz IHQAZDDNSUTWFL-UHFFFAOYSA-N 0 0 404.462 5.012 40 0 HKABRN COc1cc(C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408552445 558499695 /nfs/dbraw/zinc/49/96/95/558499695.db2.gz IMUXQEOYDGBFSA-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN CCOc1cc(C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408552515 558499621 /nfs/dbraw/zinc/49/96/21/558499621.db2.gz JEGKJAWHRZGXQT-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN COc1cc(C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408552539 558499706 /nfs/dbraw/zinc/49/97/06/558499706.db2.gz JJWLCTARPCPTHF-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN CCOc1ccc(NC(=O)c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 ZINC000408552541 558499724 /nfs/dbraw/zinc/49/97/24/558499724.db2.gz JKIBABQPDGCDRB-UHFFFAOYSA-N 0 0 405.494 5.624 40 0 HKABRN COc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(C)cc1 ZINC000408552892 558499718 /nfs/dbraw/zinc/49/97/18/558499718.db2.gz LLEXWXIQROTVNX-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1C(=O)NC1CCCCC1 ZINC000408552908 558499742 /nfs/dbraw/zinc/49/97/42/558499742.db2.gz SFGRIPYECGJALH-UHFFFAOYSA-N 0 0 422.550 5.012 40 0 HKABRN COc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 ZINC000408552973 558499687 /nfs/dbraw/zinc/49/96/87/558499687.db2.gz MFWHOGLIJFUTJQ-UHFFFAOYSA-N 0 0 424.880 5.276 40 0 HKABRN COc1ccc(NC(=O)CSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000408552978 558499637 /nfs/dbraw/zinc/49/96/37/558499637.db2.gz MHSMLMVLYCTPCP-UHFFFAOYSA-N 0 0 401.572 5.727 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408553588 557435151 /nfs/dbraw/zinc/43/51/51/557435151.db2.gz OKYSHALQQIDBGB-UHFFFAOYSA-N 0 0 413.876 6.018 40 0 HKABRN COc1ccc(NC(=O)COc2ccc(CNc3ccc(C)cc3)cc2Cl)cc1 ZINC000408553652 557432174 /nfs/dbraw/zinc/43/21/74/557432174.db2.gz BEZWRSOSMQLAIW-UHFFFAOYSA-N 0 0 410.901 5.287 40 0 HKABRN Cc1ccc(COc2ccc([C@H]3SCC(=O)N3c3ccc(Cl)cc3)cc2)cc1 ZINC000408553692 558499362 /nfs/dbraw/zinc/49/93/62/558499362.db2.gz BLNJTNGRUFYTRZ-HSZRJFAPSA-N 0 0 409.938 6.006 40 0 HKABRN Cc1ccc(COc2ccc([C@@H]3SCC(=O)N3c3ccc(Cl)cc3)cc2)cc1 ZINC000408553700 558499358 /nfs/dbraw/zinc/49/93/58/558499358.db2.gz BLNJTNGRUFYTRZ-QHCPKHFHSA-N 0 0 409.938 6.006 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OCC ZINC000408553731 557442174 /nfs/dbraw/zinc/44/21/74/557442174.db2.gz BOTASXTYJDXKPA-UHFFFAOYSA-N 0 0 421.493 5.927 40 0 HKABRN CCOc1cc(C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408553735 558499514 /nfs/dbraw/zinc/49/95/14/558499514.db2.gz PIEACXFPLAXOJL-UHFFFAOYSA-N 0 0 413.876 6.018 40 0 HKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3F)c(OC)c2)cc1 ZINC000408553754 558499449 /nfs/dbraw/zinc/49/94/49/558499449.db2.gz BQCPCKQEQJHJEE-UHFFFAOYSA-N 0 0 408.473 5.026 40 0 HKABRN Fc1cccc(COc2cccc(CNc3ccc(Br)c(Cl)c3)c2)c1 ZINC000408553806 558499715 /nfs/dbraw/zinc/49/97/15/558499715.db2.gz BHXBSUHWPXRWCB-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN COc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C)cc1 ZINC000408553863 558500020 /nfs/dbraw/zinc/50/00/20/558500020.db2.gz PZMRYPJWWIVWFT-UHFFFAOYSA-N 0 0 415.411 5.854 40 0 HKABRN CCCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1Cl ZINC000408553877 557449483 /nfs/dbraw/zinc/44/94/83/557449483.db2.gz BRCJEBDQCDOFPZ-UHFFFAOYSA-N 0 0 423.565 6.810 40 0 HKABRN CCCOc1c(Cl)cc(C(=O)Nc2ccccc2Oc2ccccc2)cc1OC ZINC000408554162 557451299 /nfs/dbraw/zinc/45/12/99/557451299.db2.gz CBEFQMURVLJQPR-UHFFFAOYSA-N 0 0 411.885 6.182 40 0 HKABRN CC(C)Oc1ccc2ccccc2c1CNc1ccc(Br)c(Cl)c1 ZINC000408554225 558500119 /nfs/dbraw/zinc/50/01/19/558500119.db2.gz CLFYAYGWWVSXKF-UHFFFAOYSA-N 0 0 404.735 6.655 40 0 HKABRN COc1cc(C(=O)OCC(=O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408554239 558500255 /nfs/dbraw/zinc/50/02/55/558500255.db2.gz QYFGODAEIJBMKC-UHFFFAOYSA-N 0 0 424.880 5.276 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408554291 558500286 /nfs/dbraw/zinc/50/02/86/558500286.db2.gz RJOJTCBYIGPKGD-UHFFFAOYSA-N 0 0 423.940 6.495 40 0 HKABRN COc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1 ZINC000408554324 558500194 /nfs/dbraw/zinc/50/01/94/558500194.db2.gz DEIXFDGOYGTEOC-UHFFFAOYSA-N 0 0 416.502 6.172 40 0 HKABRN O=Cc1cc(Br)c(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)o1 ZINC000408554419 557443755 /nfs/dbraw/zinc/44/37/55/557443755.db2.gz DVLGGPBKRBIGHU-UHFFFAOYSA-N 0 0 419.087 5.098 40 0 HKABRN CCOc1ccc(Br)cc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 ZINC000408554442 558500379 /nfs/dbraw/zinc/50/03/79/558500379.db2.gz CTOCXWRDOBGUJN-KRWDZBQOSA-N 0 0 412.736 5.280 40 0 HKABRN CCOc1ccc(Br)cc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 ZINC000408554446 558500443 /nfs/dbraw/zinc/50/04/43/558500443.db2.gz CTOCXWRDOBGUJN-QGZVFWFLSA-N 0 0 412.736 5.280 40 0 HKABRN COc1cc(C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408554623 557444584 /nfs/dbraw/zinc/44/45/84/557444584.db2.gz SIFZTUAZNGVBRK-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN Cc1ccc(NC(=O)CSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1Cl ZINC000408554704 558500446 /nfs/dbraw/zinc/50/04/46/558500446.db2.gz TVBVRAYEQQUGLN-UHFFFAOYSA-N 0 0 420.018 6.680 40 0 HKABRN COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1F ZINC000408554746 558500604 /nfs/dbraw/zinc/50/06/04/558500604.db2.gz FHQVPSZPTKNENS-UHFFFAOYSA-N 0 0 414.864 5.117 40 0 HKABRN CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccccc1F ZINC000408554907 557445299 /nfs/dbraw/zinc/44/52/99/557445299.db2.gz GDVOFHFSKMKURN-UHFFFAOYSA-N 0 0 422.500 5.416 40 0 HKABRN Fc1cccc(COc2ccccc2CNc2ccc(Br)c(Cl)c2)c1 ZINC000408554919 558500647 /nfs/dbraw/zinc/50/06/47/558500647.db2.gz GFJKHSYOGCFJPH-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN CCOc1ccc(Br)cc1CNc1ccc(Br)c(Cl)c1 ZINC000408554961 557445475 /nfs/dbraw/zinc/44/54/75/557445475.db2.gz FHGIRSCSDKXGOO-UHFFFAOYSA-N 0 0 419.544 5.876 40 0 HKABRN COc1ccc(NC(=O)COc2ccc(CNc3ccc(C)c(C)c3)cc2Cl)cc1 ZINC000408554968 557445467 /nfs/dbraw/zinc/44/54/67/557445467.db2.gz GNNCULUSZMCLGR-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN CCOc1cc(C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408555097 558501081 /nfs/dbraw/zinc/50/10/81/558501081.db2.gz VMKAOOVRAOIAOI-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN COc1cc(C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408555146 558501151 /nfs/dbraw/zinc/50/11/51/558501151.db2.gz VVVWBDYPTASPOE-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN CCOc1cc(C(=O)Nc2cccc(O)c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408555164 558501327 /nfs/dbraw/zinc/50/13/27/558501327.db2.gz VYDDUCPEOSGCJJ-UHFFFAOYSA-N 0 0 411.885 5.584 40 0 HKABRN COc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C)cc1 ZINC000408555282 557447049 /nfs/dbraw/zinc/44/70/49/557447049.db2.gz WUAQFFGISIZTJT-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN O=C1CS[C@H](c2ccc(OCc3ccccc3F)cc2)N1c1ccc(Cl)cc1 ZINC000408555424 557447561 /nfs/dbraw/zinc/44/75/61/557447561.db2.gz FYAMXZYMXANEFD-JOCHJYFZSA-N 0 0 413.901 5.837 40 0 HKABRN O=C1CS[C@@H](c2ccc(OCc3ccccc3F)cc2)N1c1ccc(Cl)cc1 ZINC000408555432 557447446 /nfs/dbraw/zinc/44/74/46/557447446.db2.gz FYAMXZYMXANEFD-QFIPXVFZSA-N 0 0 413.901 5.837 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1F ZINC000408555558 558502223 /nfs/dbraw/zinc/50/22/23/558502223.db2.gz HDWKVVPEFNVVLA-UHFFFAOYSA-N 0 0 414.864 5.117 40 0 HKABRN Fc1ccc(COc2ccccc2CNc2ccc(Br)c(Cl)c2)cc1 ZINC000408555587 558502184 /nfs/dbraw/zinc/50/21/84/558502184.db2.gz HHSHXEXEVTXJGU-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN CC(C)(C)c1cc(SCC(=O)Nc2ccccc2Cl)cc(C(C)(C)C)c1O ZINC000408555600 558502157 /nfs/dbraw/zinc/50/21/57/558502157.db2.gz YCVLZDYNYDHJNH-UHFFFAOYSA-N 0 0 405.991 6.371 40 0 HKABRN O=C(COc1ccc(CNc2cccc(Cl)c2)cc1Cl)Nc1ccccc1F ZINC000408555602 558502133 /nfs/dbraw/zinc/50/21/33/558502133.db2.gz HJIOIFAFANZNFJ-UHFFFAOYSA-N 0 0 419.283 5.762 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc(Br)cc2C)cc(Cl)c1OCC ZINC000408555735 557451511 /nfs/dbraw/zinc/45/15/11/557451511.db2.gz IEBATGYVVNGSBK-UHFFFAOYSA-N 0 0 412.711 5.461 40 0 HKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1C ZINC000408555741 558502540 /nfs/dbraw/zinc/50/25/40/558502540.db2.gz IEKHMZAEKSYHBN-UHFFFAOYSA-N 0 0 412.892 5.726 40 0 HKABRN Cc1ccc(COc2ccccc2CNc2ccc(Br)c(Cl)c2)cc1 ZINC000408555743 558502570 /nfs/dbraw/zinc/50/25/70/558502570.db2.gz IFFWOWNLRZHFGX-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN COC(=O)c1ccc(CSc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2)o1 ZINC000408555760 558502523 /nfs/dbraw/zinc/50/25/23/558502523.db2.gz IHAOQIHKHUDULB-UHFFFAOYSA-N 0 0 408.401 5.143 40 0 HKABRN CCOc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000408555795 558502534 /nfs/dbraw/zinc/50/25/34/558502534.db2.gz GHWQGGGXZFYNLC-UHFFFAOYSA-N 0 0 415.942 5.130 40 0 HKABRN COc1cc(C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408555864 558502477 /nfs/dbraw/zinc/50/24/77/558502477.db2.gz YYLWPEJENJFXDV-UHFFFAOYSA-N 0 0 409.913 6.105 40 0 HKABRN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000408556099 558502582 /nfs/dbraw/zinc/50/25/82/558502582.db2.gz ZMCBEOMTDHWIBI-UHFFFAOYSA-N 0 0 423.705 5.016 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1OCC ZINC000408556195 557452576 /nfs/dbraw/zinc/45/25/76/557452576.db2.gz IZJVRNMLXGQXBV-UHFFFAOYSA-N 0 0 406.320 5.587 40 0 HKABRN CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000408556222 557452552 /nfs/dbraw/zinc/45/25/52/557452552.db2.gz HDLSVORZMIPMBS-UHFFFAOYSA-N 0 0 415.125 5.500 40 0 HKABRN CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(Cl)c1OC ZINC000408556365 557452853 /nfs/dbraw/zinc/45/28/53/557452853.db2.gz JYJWHVMCRQHMHT-UHFFFAOYSA-N 0 0 405.119 5.775 40 0 HKABRN CCCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1OC ZINC000408556739 558502809 /nfs/dbraw/zinc/50/28/09/558502809.db2.gz KFQUSHAGTWHHLI-UHFFFAOYSA-N 0 0 419.146 6.165 40 0 HKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 ZINC000408556757 558502742 /nfs/dbraw/zinc/50/27/42/558502742.db2.gz LIVWXTXVTIAIOK-UHFFFAOYSA-N 0 0 412.892 5.671 40 0 HKABRN O=C1CS[C@H](c2ccccc2OCc2cccc(F)c2)N1c1ccc(Cl)cc1 ZINC000408556779 557453534 /nfs/dbraw/zinc/45/35/34/557453534.db2.gz LNDJXMBHAQVSSF-JOCHJYFZSA-N 0 0 413.901 5.837 40 0 HKABRN O=C1CS[C@@H](c2ccccc2OCc2cccc(F)c2)N1c1ccc(Cl)cc1 ZINC000408556781 557453521 /nfs/dbraw/zinc/45/35/21/557453521.db2.gz LNDJXMBHAQVSSF-QFIPXVFZSA-N 0 0 413.901 5.837 40 0 HKABRN COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000408556791 558502712 /nfs/dbraw/zinc/50/27/12/558502712.db2.gz LNTBHDUVESSFLQ-UHFFFAOYSA-N 0 0 410.901 5.287 40 0 HKABRN CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1OCC ZINC000408556894 557453517 /nfs/dbraw/zinc/45/35/17/557453517.db2.gz KSWXAQPDIKVNMO-IBGZPJMESA-N 0 0 412.338 5.569 40 0 HKABRN CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1OCC ZINC000408556899 557453503 /nfs/dbraw/zinc/45/35/03/557453503.db2.gz KSWXAQPDIKVNMO-LJQANCHMSA-N 0 0 412.338 5.569 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1F ZINC000408556976 558502670 /nfs/dbraw/zinc/50/26/70/558502670.db2.gz MALPTIVBWITYMJ-UHFFFAOYSA-N 0 0 414.864 5.117 40 0 HKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3OC)c(Cl)c2)cc1 ZINC000408556983 557453778 /nfs/dbraw/zinc/45/37/78/557453778.db2.gz MCMBAQAKCLBLSG-UHFFFAOYSA-N 0 0 424.928 5.541 40 0 HKABRN COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000408556994 558502787 /nfs/dbraw/zinc/50/27/87/558502787.db2.gz MGSKPYSTROXICN-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN Cc1ccc(COc2cccc(CNc3ccc(Br)c(Cl)c3)c2)cc1 ZINC000408557053 557453774 /nfs/dbraw/zinc/45/37/74/557453774.db2.gz MPQQGATUXDCLAQ-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN CCCOc1c(Cl)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000408557073 558502689 /nfs/dbraw/zinc/50/26/89/558502689.db2.gz LYDFCOYQQYTNHR-IBGZPJMESA-N 0 0 412.338 5.569 40 0 HKABRN CCCOc1c(Cl)cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000408557076 558502791 /nfs/dbraw/zinc/50/27/91/558502791.db2.gz LYDFCOYQQYTNHR-LJQANCHMSA-N 0 0 412.338 5.569 40 0 HKABRN CCOc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000408557123 558502758 /nfs/dbraw/zinc/50/27/58/558502758.db2.gz MYVNNZULLJLBBK-UHFFFAOYSA-N 0 0 424.928 5.677 40 0 HKABRN O=C(COc1ccc(CNc2ccccc2Cl)cc1Cl)Nc1ccccc1F ZINC000408557132 558502766 /nfs/dbraw/zinc/50/27/66/558502766.db2.gz MZVBMSVHHPNDGB-UHFFFAOYSA-N 0 0 419.283 5.762 40 0 HKABRN COc1ccccc1NC(=O)COc1ccc(CNc2ccc(C)cc2)cc1Cl ZINC000408557141 558502747 /nfs/dbraw/zinc/50/27/47/558502747.db2.gz NAUWIYGRLBFWDD-UHFFFAOYSA-N 0 0 410.901 5.287 40 0 HKABRN Fc1ccc(COc2cccc(CNc3ccc(Br)c(Cl)c3)c2)cc1 ZINC000408557143 558502764 /nfs/dbraw/zinc/50/27/64/558502764.db2.gz NBHJGUTVQRSCLU-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN COc1ccccc1NC(=O)COc1ccc(CNc2ccc(F)cc2)cc1Cl ZINC000408557189 557453973 /nfs/dbraw/zinc/45/39/73/557453973.db2.gz NMCQBOWIJYJFPL-UHFFFAOYSA-N 0 0 414.864 5.117 40 0 HKABRN COc1ccc2[nH]c(SCC(=O)N3c4ccccc4Sc4ccccc43)nc2c1 ZINC000408557230 558502736 /nfs/dbraw/zinc/50/27/36/558502736.db2.gz NYDNXLXCNSQLAX-UHFFFAOYSA-N 0 0 419.531 5.493 40 0 HKABRN O=C1CS[C@H](c2ccccc2OCc2ccccc2F)N1c1ccc(Cl)cc1 ZINC000408557407 558502730 /nfs/dbraw/zinc/50/27/30/558502730.db2.gz NFYDUTAIMCWXDA-JOCHJYFZSA-N 0 0 413.901 5.837 40 0 HKABRN O=C1CS[C@@H](c2ccccc2OCc2ccccc2F)N1c1ccc(Cl)cc1 ZINC000408557408 558502777 /nfs/dbraw/zinc/50/27/77/558502777.db2.gz NFYDUTAIMCWXDA-QFIPXVFZSA-N 0 0 413.901 5.837 40 0 HKABRN CCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Br ZINC000408557439 558502947 /nfs/dbraw/zinc/50/29/47/558502947.db2.gz NKDPVQGAHSWCDU-KRWDZBQOSA-N 0 0 412.736 5.280 40 0 HKABRN CCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Br ZINC000408557440 558502956 /nfs/dbraw/zinc/50/29/56/558502956.db2.gz NKDPVQGAHSWCDU-QGZVFWFLSA-N 0 0 412.736 5.280 40 0 HKABRN CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1F ZINC000408557588 558502912 /nfs/dbraw/zinc/50/29/12/558502912.db2.gz PAJBZCIXVKYEAX-UHFFFAOYSA-N 0 0 422.500 5.471 40 0 HKABRN O=C(COc1ccc(CNc2ccc(Cl)cc2)cc1Cl)Nc1ccccc1F ZINC000408557620 557454330 /nfs/dbraw/zinc/45/43/30/557454330.db2.gz PQAHCWJWPDFACJ-UHFFFAOYSA-N 0 0 419.283 5.762 40 0 HKABRN O=C1CS[C@H](c2cccc(OCc3ccc(F)cc3)c2)N1c1ccc(Cl)cc1 ZINC000408557864 557454695 /nfs/dbraw/zinc/45/46/95/557454695.db2.gz QHIIUNRVYWANAN-JOCHJYFZSA-N 0 0 413.901 5.837 40 0 HKABRN O=C1CS[C@@H](c2cccc(OCc3ccc(F)cc3)c2)N1c1ccc(Cl)cc1 ZINC000408557867 558503251 /nfs/dbraw/zinc/50/32/51/558503251.db2.gz QHIIUNRVYWANAN-QFIPXVFZSA-N 0 0 413.901 5.837 40 0 HKABRN COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1F ZINC000408557891 557454806 /nfs/dbraw/zinc/45/48/06/557454806.db2.gz QLRUEJDBKZHYPJ-UHFFFAOYSA-N 0 0 408.473 5.081 40 0 HKABRN O=C(COc1ccc(CNc2ccc(F)cc2)cc1Cl)Nc1ccccc1F ZINC000408557901 558503284 /nfs/dbraw/zinc/50/32/84/558503284.db2.gz QMWMOJZZLXYLST-UHFFFAOYSA-N 0 0 402.828 5.248 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1OCC ZINC000408557971 558503137 /nfs/dbraw/zinc/50/31/37/558503137.db2.gz RAZROGUYEIOOIS-UHFFFAOYSA-N 0 0 405.494 6.309 40 0 HKABRN CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1OC ZINC000408558009 558503165 /nfs/dbraw/zinc/50/31/65/558503165.db2.gz RKGPJBOIQYWYMH-UHFFFAOYSA-N 0 0 420.509 5.032 40 0 HKABRN Cc1ccc(COc2ccccc2[C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408558020 557455023 /nfs/dbraw/zinc/45/50/23/557455023.db2.gz ROAHCTXRFIQEIH-HSZRJFAPSA-N 0 0 409.938 6.006 40 0 HKABRN Cc1ccc(COc2ccccc2[C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408558021 558503193 /nfs/dbraw/zinc/50/31/93/558503193.db2.gz ROAHCTXRFIQEIH-QHCPKHFHSA-N 0 0 409.938 6.006 40 0 HKABRN O=C1CS[C@H](c2cccc(OCc3cccc(F)c3)c2)N1c1ccc(Cl)cc1 ZINC000408558166 557455222 /nfs/dbraw/zinc/45/52/22/557455222.db2.gz QFWOKGXFEXTBSA-JOCHJYFZSA-N 0 0 413.901 5.837 40 0 HKABRN O=C1CS[C@@H](c2cccc(OCc3cccc(F)c3)c2)N1c1ccc(Cl)cc1 ZINC000408558168 558503264 /nfs/dbraw/zinc/50/32/64/558503264.db2.gz QFWOKGXFEXTBSA-QFIPXVFZSA-N 0 0 413.901 5.837 40 0 HKABRN Cc1ccc(COc2ccc(CNc3ccc(Br)c(Cl)c3)cc2)cc1 ZINC000408558193 558503290 /nfs/dbraw/zinc/50/32/90/558503290.db2.gz SDSZSQOPSSZDCR-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1F ZINC000408558325 557455460 /nfs/dbraw/zinc/45/54/60/557455460.db2.gz SZFGHBNBNMZHLI-UHFFFAOYSA-N 0 0 408.473 5.162 40 0 HKABRN O=C1CS[C@H](c2ccccc2OCc2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000408558366 558503269 /nfs/dbraw/zinc/50/32/69/558503269.db2.gz UCOQSIBUUVQCHJ-JOCHJYFZSA-N 0 0 413.901 5.837 40 0 HKABRN O=C1CS[C@@H](c2ccccc2OCc2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000408558368 558503451 /nfs/dbraw/zinc/50/34/51/558503451.db2.gz UCOQSIBUUVQCHJ-QFIPXVFZSA-N 0 0 413.901 5.837 40 0 HKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(OC)cc3)c(Cl)c2)cc1 ZINC000408558403 557455669 /nfs/dbraw/zinc/45/56/69/557455669.db2.gz UKPJVVHAYCONEY-UHFFFAOYSA-N 0 0 424.928 5.541 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OCC ZINC000408558408 558503395 /nfs/dbraw/zinc/50/33/95/558503395.db2.gz ULKBORBXPBJJPM-UHFFFAOYSA-N 0 0 407.466 5.537 40 0 HKABRN COc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 ZINC000408558511 558503460 /nfs/dbraw/zinc/50/34/60/558503460.db2.gz UQNVPBAFUHUWHM-UHFFFAOYSA-N 0 0 414.864 5.117 40 0 HKABRN CCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1OC ZINC000408558539 558503506 /nfs/dbraw/zinc/50/35/06/558503506.db2.gz RQYALJKBQPPUQU-UHFFFAOYSA-N 0 0 405.119 5.775 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(CNc2ccccc2)cc1Cl ZINC000408558615 558503421 /nfs/dbraw/zinc/50/34/21/558503421.db2.gz UZBBAHIINLVLFM-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OC ZINC000408558626 558503446 /nfs/dbraw/zinc/50/34/46/558503446.db2.gz UZSINDIMHOBNSE-UHFFFAOYSA-N 0 0 421.493 5.927 40 0 HKABRN Fc1ccccc1COc1ccc(CNc2ccc(Br)c(Cl)c2)cc1 ZINC000408558642 557456047 /nfs/dbraw/zinc/45/60/47/557456047.db2.gz SBGFNZNXHHCABZ-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000408558753 558503416 /nfs/dbraw/zinc/50/34/16/558503416.db2.gz VMUMXOHNVNBIRU-UHFFFAOYSA-N 0 0 420.509 5.032 40 0 HKABRN O=C1CS[C@H](c2ccc(OCc3ccc(F)cc3)cc2)N1c1ccc(Cl)cc1 ZINC000408558827 558503477 /nfs/dbraw/zinc/50/34/77/558503477.db2.gz WJYSFNJIDIAXTJ-JOCHJYFZSA-N 0 0 413.901 5.837 40 0 HKABRN O=C1CS[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)N1c1ccc(Cl)cc1 ZINC000408558828 558503494 /nfs/dbraw/zinc/50/34/94/558503494.db2.gz WJYSFNJIDIAXTJ-QFIPXVFZSA-N 0 0 413.901 5.837 40 0 HKABRN COc1ccc(NC(=O)COc2ccc(CNc3ccc(F)cc3)cc2Cl)cc1 ZINC000408558829 558503427 /nfs/dbraw/zinc/50/34/27/558503427.db2.gz WKJDMLLDFIPQJA-UHFFFAOYSA-N 0 0 414.864 5.117 40 0 HKABRN Cc1ccc(COc2cccc([C@H]3SCC(=O)N3c3ccc(Cl)cc3)c2)cc1 ZINC000408558903 558503508 /nfs/dbraw/zinc/50/35/08/558503508.db2.gz WOKDCTVMOZFZTJ-HSZRJFAPSA-N 0 0 409.938 6.006 40 0 HKABRN Cc1ccc(COc2cccc([C@@H]3SCC(=O)N3c3ccc(Cl)cc3)c2)cc1 ZINC000408558907 558503464 /nfs/dbraw/zinc/50/34/64/558503464.db2.gz WOKDCTVMOZFZTJ-QHCPKHFHSA-N 0 0 409.938 6.006 40 0 HKABRN Clc1cc(NCc2ccccc2OCc2ccccc2)ccc1Br ZINC000408558969 557456490 /nfs/dbraw/zinc/45/64/90/557456490.db2.gz WVZLAIPBPUNOFA-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN COc1ccccc1NC(=O)COc1ccc(CNc2ccc(C)c(C)c2)cc1Cl ZINC000408558985 558503500 /nfs/dbraw/zinc/50/35/00/558503500.db2.gz WWFNXNGVXSBGKS-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN Fc1ccccc1COc1ccccc1CNc1ccc(Br)c(Cl)c1 ZINC000408559114 558503480 /nfs/dbraw/zinc/50/34/80/558503480.db2.gz UIRVCMRFYHLDEA-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN Fc1ccc(COc2ccc(CNc3ccc(Br)c(Cl)c3)cc2)cc1 ZINC000408559217 558503640 /nfs/dbraw/zinc/50/36/40/558503640.db2.gz YEMUADNTLZNAAF-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN CCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1Cl ZINC000408559268 558503646 /nfs/dbraw/zinc/50/36/46/558503646.db2.gz UUQBWEQZRARFOT-UHFFFAOYSA-N 0 0 409.538 6.420 40 0 HKABRN CCCOc1ccc2ccccc2c1CNc1ccc(Br)c(Cl)c1 ZINC000408559326 558503711 /nfs/dbraw/zinc/50/37/11/558503711.db2.gz VFNFDLXEZDTDKH-UHFFFAOYSA-N 0 0 404.735 6.657 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OC ZINC000408559379 558503657 /nfs/dbraw/zinc/50/36/57/558503657.db2.gz ZLRVWPFWXFBAFZ-UHFFFAOYSA-N 0 0 407.466 5.537 40 0 HKABRN Fc1cccc(COc2ccc(CNc3ccc(Br)c(Cl)c3)cc2)c1 ZINC000408559398 558503635 /nfs/dbraw/zinc/50/36/35/558503635.db2.gz VLPLGGJMTZEDQO-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN CCOc1cc(C(=O)Nc2ccccc2Oc2ccccc2)cc(Cl)c1OCC ZINC000408559461 558503717 /nfs/dbraw/zinc/50/37/17/558503717.db2.gz ZWIOKIQTLKBTHA-UHFFFAOYSA-N 0 0 411.885 6.182 40 0 HKABRN CCCOc1c(Cl)cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl ZINC000408559525 558503738 /nfs/dbraw/zinc/50/37/38/558503738.db2.gz VSDAOOXBBJSKDS-GOSISDBHSA-N 0 0 416.757 6.214 40 0 HKABRN CCCOc1c(Cl)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl ZINC000408559530 558503703 /nfs/dbraw/zinc/50/37/03/558503703.db2.gz VSDAOOXBBJSKDS-SFHVURJKSA-N 0 0 416.757 6.214 40 0 HKABRN CCCCOc1ccc(C(=O)/N=c2\sc3c(n2CC)-c2ccccc2CC3)cc1 ZINC000408559611 557456921 /nfs/dbraw/zinc/45/69/21/557456921.db2.gz AACSEZSEGQLHPO-IZHYLOQSSA-N 0 0 406.551 5.255 40 0 HKABRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1cccc(C)c1 ZINC000408559639 557457159 /nfs/dbraw/zinc/45/71/59/557457159.db2.gz AMVBYUZNTILRKL-XDOYNYLZSA-N 0 0 415.356 5.357 40 0 HKABRN CCc1s/c(=N\C(=O)c2cccc(Br)c2)n(CC)c1-c1ccccc1 ZINC000408559640 557457145 /nfs/dbraw/zinc/45/71/45/557457145.db2.gz AMYBXODSMFCWGB-XDOYNYLZSA-N 0 0 415.356 5.303 40 0 HKABRN CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000408559642 557457127 /nfs/dbraw/zinc/45/71/27/557457127.db2.gz ANCSOCJYGKEJMN-LVWGJNHUSA-N 0 0 415.002 5.842 40 0 HKABRN CCCc1s/c(=N\C(=O)c2cccc(Cl)c2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408559659 558503619 /nfs/dbraw/zinc/50/36/19/558503619.db2.gz ARJNHNGZOGASEW-BZZOAKBMSA-N 0 0 412.986 6.200 40 0 HKABRN O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1ccc(Cl)cc1Cl ZINC000408559662 558503715 /nfs/dbraw/zinc/50/37/15/558503715.db2.gz ASQFXHKQZJEURP-UHFFFAOYSA-N 0 0 417.239 6.388 40 0 HKABRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccccc1F ZINC000408559673 558503632 /nfs/dbraw/zinc/50/36/32/558503632.db2.gz AVSMTHNUGTUVAC-QOCHGBHMSA-N 0 0 419.319 5.188 40 0 HKABRN CCCc1s/c(=N\C(=O)c2ccccc2Cl)n(CC)c1-c1ccc(Cl)cc1 ZINC000408559700 558503629 /nfs/dbraw/zinc/50/36/29/558503629.db2.gz BIGVDKKMRFCSKW-FLFQWRMESA-N 0 0 419.377 6.237 40 0 HKABRN CCc1s/c(=N\C(=O)c2cccc3ccccc32)n(CC)c1-c1ccc(C)cc1 ZINC000408559701 558503615 /nfs/dbraw/zinc/50/36/15/558503615.db2.gz BIGWFECTMFAWCC-QPLCGJKRSA-N 0 0 400.547 6.002 40 0 HKABRN CCOc1c(Cl)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl ZINC000408559823 558502995 /nfs/dbraw/zinc/50/29/95/558502995.db2.gz WSVQDSJUYYNXKP-KRWDZBQOSA-N 0 0 402.730 5.824 40 0 HKABRN CCOc1c(Cl)cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl ZINC000408559828 558503455 /nfs/dbraw/zinc/50/34/55/558503455.db2.gz WSVQDSJUYYNXKP-QGZVFWFLSA-N 0 0 402.730 5.824 40 0 HKABRN CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408559850 558503496 /nfs/dbraw/zinc/50/34/96/558503496.db2.gz NBXBHGYNRYDOCK-UHFFFAOYSA-N 0 0 414.232 5.212 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)cc1 ZINC000408559969 558504268 /nfs/dbraw/zinc/50/42/68/558504268.db2.gz BJRJCMLSDHPPQY-UHFFFAOYSA-N 0 0 404.457 6.379 40 0 HKABRN CCCCOc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(F)cc3)n2CC)cc1 ZINC000408560056 558504212 /nfs/dbraw/zinc/50/42/12/558504212.db2.gz BRJQYEAFRIVSBK-BZZOAKBMSA-N 0 0 412.530 5.604 40 0 HKABRN CCCCOc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(C)c(C)c3)n2CC)cc1 ZINC000408560095 557457651 /nfs/dbraw/zinc/45/76/51/557457651.db2.gz BXBIKEMHPDNDDO-QPLCGJKRSA-N 0 0 422.594 6.082 40 0 HKABRN CCCc1s/c(=N\C(=O)c2ccccc2F)n(CC)c1-c1ccc(Cl)cc1 ZINC000408560118 557457666 /nfs/dbraw/zinc/45/76/66/557457666.db2.gz CALHEAPNDWASSB-FLFQWRMESA-N 0 0 402.922 5.723 40 0 HKABRN CCCc1s/c(=N\C(=O)c2ccc(OC)c(OC)c2)n(CC)c1-c1ccc(C)cc1 ZINC000408560124 557457671 /nfs/dbraw/zinc/45/76/71/557457671.db2.gz CBQBHVMQHYCZDO-IZHYLOQSSA-N 0 0 424.566 5.256 40 0 HKABRN CCc1s/c(=N\C(=O)c2cccs2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408560149 557457817 /nfs/dbraw/zinc/45/78/17/557457817.db2.gz CFOYWKCCXNHWKA-UZYVYHOESA-N 0 0 411.379 5.908 40 0 HKABRN CCCc1s/c(=N\C(=O)c2ccco2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408560150 557457779 /nfs/dbraw/zinc/45/77/79/557457779.db2.gz CFRWURMEDGTJQP-QOCHGBHMSA-N 0 0 409.338 5.830 40 0 HKABRN CCc1s/c(=N\C(=O)c2cccc(C)c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408560161 557457775 /nfs/dbraw/zinc/45/77/75/557457775.db2.gz CGYIVULWAJMJJE-FLFQWRMESA-N 0 0 419.377 6.155 40 0 HKABRN CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000408560194 557457796 /nfs/dbraw/zinc/45/77/96/557457796.db2.gz CMEHPTMGTLYNKR-LCUIJRPUSA-N 0 0 408.611 5.805 40 0 HKABRN O=C1CS[C@H](c2ccc(OCc3cccc(F)c3)cc2)N1c1ccc(Cl)cc1 ZINC000408560295 558504461 /nfs/dbraw/zinc/50/44/61/558504461.db2.gz YOXNSFPOSQTFSX-JOCHJYFZSA-N 0 0 413.901 5.837 40 0 HKABRN O=C1CS[C@@H](c2ccc(OCc3cccc(F)c3)cc2)N1c1ccc(Cl)cc1 ZINC000408560296 558504398 /nfs/dbraw/zinc/50/43/98/558504398.db2.gz YOXNSFPOSQTFSX-QFIPXVFZSA-N 0 0 413.901 5.837 40 0 HKABRN CCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1Br ZINC000408560359 558504454 /nfs/dbraw/zinc/50/44/54/558504454.db2.gz YXLDIODGMKTCIU-UHFFFAOYSA-N 0 0 419.544 5.876 40 0 HKABRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccc(C)cc1 ZINC000408560416 557458797 /nfs/dbraw/zinc/45/87/97/557458797.db2.gz CPHKSUYQEGDYCB-XDOYNYLZSA-N 0 0 415.356 5.357 40 0 HKABRN CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(Cl)c1OCC ZINC000408560418 557458496 /nfs/dbraw/zinc/45/84/96/557458496.db2.gz ZIUYWATYMBSDBG-UHFFFAOYSA-N 0 0 419.146 6.165 40 0 HKABRN CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1cc(Cl)ccc1OC ZINC000408560441 558504456 /nfs/dbraw/zinc/50/44/56/558504456.db2.gz CRNMKSPNGCOEIZ-ATJXCDBQSA-N 0 0 404.894 5.087 40 0 HKABRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccccc1OC ZINC000408560551 557458930 /nfs/dbraw/zinc/45/89/30/557458930.db2.gz DFLDHLLEGXLYNW-ATJXCDBQSA-N 0 0 421.349 5.601 40 0 HKABRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccc(OC)cc1 ZINC000408560553 557459002 /nfs/dbraw/zinc/45/90/02/557459002.db2.gz DFOSAVAGYXPCCC-ATJXCDBQSA-N 0 0 421.349 5.601 40 0 HKABRN CCCc1s/c(=N\C(=O)c2ccco2)n(CC)c1-c1ccc(Br)cc1 ZINC000408560586 557459005 /nfs/dbraw/zinc/45/90/05/557459005.db2.gz DLMMBHKHYSQXRB-VZCXRCSSSA-N 0 0 419.344 5.286 40 0 HKABRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccc(F)cc1 ZINC000408560624 557458961 /nfs/dbraw/zinc/45/89/61/557458961.db2.gz DQRIDIPXLSJYEF-QOCHGBHMSA-N 0 0 419.319 5.188 40 0 HKABRN CCCc1s/c(=N\C(=O)c2cccc(OC)c2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408560659 558504388 /nfs/dbraw/zinc/50/43/88/558504388.db2.gz DVVKHDJXQRGJHQ-GYHWCHFESA-N 0 0 414.958 5.592 40 0 HKABRN CCCc1s/c(=N\C(=O)c2cc(OC)cc(OC)c2)n(CC)c1-c1ccc(C)cc1 ZINC000408560726 558504578 /nfs/dbraw/zinc/50/45/78/558504578.db2.gz DYEJLAJEFPAAMA-IZHYLOQSSA-N 0 0 424.566 5.256 40 0 HKABRN CCCc1s/c(=N\C(=O)c2cccc3ccccc32)n(CC)c1-c1ccccc1 ZINC000408560940 558504677 /nfs/dbraw/zinc/50/46/77/558504677.db2.gz FYPCCPDEWKHJOL-QPLCGJKRSA-N 0 0 400.547 6.083 40 0 HKABRN CCc1s/c(=N\C(=O)c2cccc3ccccc32)n(CC)c1-c1ccc(F)cc1 ZINC000408560942 558504762 /nfs/dbraw/zinc/50/47/62/558504762.db2.gz FYZRVYGTORICKD-LCUIJRPUSA-N 0 0 404.510 5.832 40 0 HKABRN CCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(CC)c1-c1ccc(F)cc1 ZINC000408560945 558504791 /nfs/dbraw/zinc/50/47/91/558504791.db2.gz FZPFLQQNSJXJIW-FLFQWRMESA-N 0 0 418.921 5.341 40 0 HKABRN CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccc(Cl)cc1Cl ZINC000408560947 557459496 /nfs/dbraw/zinc/45/94/96/557459496.db2.gz GAHLMKLTPOPSFA-FLFQWRMESA-N 0 0 419.377 6.210 40 0 HKABRN CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccccc1Br ZINC000408561088 558504882 /nfs/dbraw/zinc/50/48/82/558504882.db2.gz GMWZBJMZXGQSQF-VZCXRCSSSA-N 0 0 401.329 5.049 40 0 HKABRN CCc1s/c(=N\C(=O)c2cccc3ccccc32)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408561108 558504754 /nfs/dbraw/zinc/50/47/54/558504754.db2.gz GQNXNDYUXPQTKP-RQZHXJHFSA-N 0 0 414.574 6.310 40 0 HKABRN CCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(CC)c1-c1ccc(F)cc1 ZINC000408561121 557459512 /nfs/dbraw/zinc/45/95/12/557459512.db2.gz GRUALWUHYWUMCP-RWEWTDSWSA-N 0 0 412.574 5.582 40 0 HKABRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1cccc(F)c1 ZINC000408561138 558504849 /nfs/dbraw/zinc/50/48/49/558504849.db2.gz GTHYDINUWZLHEF-QOCHGBHMSA-N 0 0 419.319 5.188 40 0 HKABRN CCn1c(-c2ccccc2)c(C)sc1=NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408561143 557459526 /nfs/dbraw/zinc/45/95/26/557459526.db2.gz GVCRIPKVVXYBFF-RQZHXJHFSA-N 0 0 412.558 5.804 40 0 HKABRN CCCc1s/c(=N\C(=O)c2cccc(OC)c2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408561305 558504832 /nfs/dbraw/zinc/50/48/32/558504832.db2.gz HNMXHFVNPUVBRZ-IZHYLOQSSA-N 0 0 408.567 5.556 40 0 HKABRN CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 ZINC000408561326 557459756 /nfs/dbraw/zinc/45/97/56/557459756.db2.gz HUCWKSOSJPCMJI-LVWGJNHUSA-N 0 0 412.986 6.237 40 0 HKABRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccc(C)cc1 ZINC000408561335 558505060 /nfs/dbraw/zinc/50/50/60/558505060.db2.gz HYFMVYQTYZZSJE-ATJXCDBQSA-N 0 0 405.350 5.901 40 0 HKABRN CCc1s/c(=N\C(=O)c2cccc3ccccc32)n(CC)c1-c1ccc(Cl)cc1 ZINC000408561349 558505014 /nfs/dbraw/zinc/50/50/14/558505014.db2.gz IEGLYANCOUXGCQ-LCUIJRPUSA-N 0 0 420.965 6.347 40 0 HKABRN CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccc(Br)cc1 ZINC000408561377 557459656 /nfs/dbraw/zinc/45/96/56/557459656.db2.gz INDHFACICFXNKA-QOCHGBHMSA-N 0 0 419.319 5.188 40 0 HKABRN CCc1s/c(=N\C(=O)c2cccs2)n(CC)c1-c1ccc(Br)cc1 ZINC000408561498 558505022 /nfs/dbraw/zinc/50/50/22/558505022.db2.gz IWBQBCIGLWXWIF-ZZEZOPTASA-N 0 0 421.385 5.364 40 0 HKABRN CCCCOc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(C)cc3)n2CC)cc1 ZINC000408561548 558505082 /nfs/dbraw/zinc/50/50/82/558505082.db2.gz JLJAPCAQZKPMMR-IZHYLOQSSA-N 0 0 408.567 5.773 40 0 HKABRN CCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(CC)c1-c1ccc(C)cc1 ZINC000408561562 558505007 /nfs/dbraw/zinc/50/50/07/558505007.db2.gz JRRXXLAXUVBOGK-GYHWCHFESA-N 0 0 414.958 5.510 40 0 HKABRN CCCc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(CC)c1-c1ccc(C)cc1 ZINC000408561563 558505079 /nfs/dbraw/zinc/50/50/79/558505079.db2.gz JRTKNOFICOLSCD-RFBIWTDZSA-N 0 0 420.622 6.536 40 0 HKABRN CCCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(CC)c1-c1ccccc1 ZINC000408561565 558505009 /nfs/dbraw/zinc/50/50/09/558505009.db2.gz JSULSFXTHJANDQ-FLFQWRMESA-N 0 0 419.377 6.237 40 0 HKABRN CCCCOc1ccc(C(=O)/N=c2\sc(CC)c(-c3ccccc3)n2CC)cc1 ZINC000408561572 557459909 /nfs/dbraw/zinc/45/99/09/557459909.db2.gz JVBQQLIKPBGUAF-IZHYLOQSSA-N 0 0 408.567 5.719 40 0 HKABRN CCc1s/c(=N\C(=O)c2cccc(F)c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408561596 557459956 /nfs/dbraw/zinc/45/99/56/557459956.db2.gz KEWDLRRXCVVLNS-GFMRDNFCSA-N 0 0 423.340 5.986 40 0 HKABRN CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1cccc2ccccc21 ZINC000408561700 557460003 /nfs/dbraw/zinc/46/00/03/557460003.db2.gz KGZJNDFNCBCXCS-QPLCGJKRSA-N 0 0 400.547 6.056 40 0 HKABRN CCCc1s/c(=N\C(=O)c2cccc3ccccc32)n(CC)c1-c1ccc(C)cc1 ZINC000408561710 558505026 /nfs/dbraw/zinc/50/50/26/558505026.db2.gz KKJIVXKJLCUTQA-RQZHXJHFSA-N 0 0 414.574 6.392 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccc(OC)c(OC)c2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408561711 558505039 /nfs/dbraw/zinc/50/50/39/558505039.db2.gz KKQAPOWFQMMJLR-IZHYLOQSSA-N 0 0 424.566 5.174 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)cc1 ZINC000408561719 557460230 /nfs/dbraw/zinc/46/02/30/557460230.db2.gz KLKDYJFLRRMBRV-UHFFFAOYSA-N 0 0 420.456 6.260 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(CC)c1-c1ccc(F)cc1 ZINC000408561756 557460254 /nfs/dbraw/zinc/46/02/54/557460254.db2.gz KXLLHKJVJZNUCO-RWEWTDSWSA-N 0 0 410.558 5.977 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccc(C)cc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408561777 558505031 /nfs/dbraw/zinc/50/50/31/558505031.db2.gz LDJNCJUPWCYNFJ-FLFQWRMESA-N 0 0 419.377 6.155 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408561791 558505078 /nfs/dbraw/zinc/50/50/78/558505078.db2.gz LJBDRPJJBAQSTB-ATJXCDBQSA-N 0 0 405.350 5.847 40 0 HKABRN CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1cc(Cl)ccc1OC ZINC000408561792 558505054 /nfs/dbraw/zinc/50/50/54/558505054.db2.gz LJJISZDAZWSYAD-LNVKXUELSA-N 0 0 400.931 5.256 40 0 HKABRN COc1ccc(Cl)cc1C(=O)Nc1nc(C(F)(F)F)c(-c2ccccc2)s1 ZINC000408561898 558505289 /nfs/dbraw/zinc/50/52/89/558505289.db2.gz LKKNREUNEPBAPN-UHFFFAOYSA-N 0 0 412.820 5.743 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(CC)c1-c1ccccc1 ZINC000408561902 557460385 /nfs/dbraw/zinc/46/03/85/557460385.db2.gz LLZHVLGPNSVYCO-ATJXCDBQSA-N 0 0 405.350 5.847 40 0 HKABRN CCCCOc1ccc(C(=O)/N=c2\sc(CCC)c(-c3ccccc3)n2CC)cc1 ZINC000408561939 558505248 /nfs/dbraw/zinc/50/52/48/558505248.db2.gz LVLCMUKNPOFADA-QPLCGJKRSA-N 0 0 422.594 6.109 40 0 HKABRN CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccc(Br)cc1 ZINC000408561941 558505264 /nfs/dbraw/zinc/50/52/64/558505264.db2.gz LVUPNCSHRPAPTL-XDOYNYLZSA-N 0 0 415.356 5.357 40 0 HKABRN CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1cccc2ccccc21 ZINC000408561954 557460409 /nfs/dbraw/zinc/46/04/09/557460409.db2.gz MAFDNKSXBTZZHR-BZZOAKBMSA-N 0 0 406.938 6.093 40 0 HKABRN CCCc1s/c(=N\C(=O)c2ccccc2Cl)n(CC)c1-c1ccc(F)cc1 ZINC000408561964 557460634 /nfs/dbraw/zinc/46/06/34/557460634.db2.gz MCSNWAFFBUJXOV-FLFQWRMESA-N 0 0 402.922 5.723 40 0 HKABRN CCCc1s/c(=N\C(=O)c2ccccc2OC)n(CC)c1-c1ccc(Cl)cc1 ZINC000408562127 558505258 /nfs/dbraw/zinc/50/52/58/558505258.db2.gz MZLZHANKRVKUSD-GYHWCHFESA-N 0 0 414.958 5.592 40 0 HKABRN CCCc1s/c(=N\C(=O)c2ccc(OC)cc2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408562132 558505217 /nfs/dbraw/zinc/50/52/17/558505217.db2.gz NCBZJNQKKLKIAH-IZHYLOQSSA-N 0 0 408.567 5.556 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(CC)c1-c1ccc(C)cc1 ZINC000408562134 558505317 /nfs/dbraw/zinc/50/53/17/558505317.db2.gz NCIDTTVTXJZQAR-FLFQWRMESA-N 0 0 419.377 6.155 40 0 HKABRN CCCc1s/c(=N\C(=O)c2ccccc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408562168 557460599 /nfs/dbraw/zinc/46/05/99/557460599.db2.gz NROHJQOCZFRBIY-FLFQWRMESA-N 0 0 419.377 6.237 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccccc2OC)n(CC)c1-c1ccc(Cl)cc1 ZINC000408562172 558505199 /nfs/dbraw/zinc/50/51/99/558505199.db2.gz NTHLIWXIIOLPTL-LNVKXUELSA-N 0 0 400.931 5.202 40 0 HKABRN CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1cccc(Br)c1 ZINC000408562183 558505255 /nfs/dbraw/zinc/50/52/55/558505255.db2.gz NXHPFGFDLFCUSO-QOCHGBHMSA-N 0 0 419.319 5.188 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccc(OC)cc2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408562196 558505299 /nfs/dbraw/zinc/50/52/99/558505299.db2.gz OAWPROLIRKUAKT-LNVKXUELSA-N 0 0 400.931 5.202 40 0 HKABRN CCCc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(CC)c1-c1ccc(F)cc1 ZINC000408562197 558505320 /nfs/dbraw/zinc/50/53/20/558505320.db2.gz OCRJXVLYQCXSHQ-FLFQWRMESA-N 0 0 402.922 5.723 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccccc2)n(CC)c1-c1ccc(Br)cc1 ZINC000408562257 557460815 /nfs/dbraw/zinc/46/08/15/557460815.db2.gz OKVDTWHRNRGKER-XDOYNYLZSA-N 0 0 415.356 5.303 40 0 HKABRN CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1cccc(Br)c1 ZINC000408562293 558505278 /nfs/dbraw/zinc/50/52/78/558505278.db2.gz OQSVLCSTPHNIIJ-VZCXRCSSSA-N 0 0 401.329 5.049 40 0 HKABRN CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccc(Br)cc1 ZINC000408562317 558505282 /nfs/dbraw/zinc/50/52/82/558505282.db2.gz OUOBASBLWVSMEC-VZCXRCSSSA-N 0 0 401.329 5.049 40 0 HKABRN CCCc1s/c(=N\C(=O)c2cccc(Cl)c2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408562319 558505448 /nfs/dbraw/zinc/50/54/48/558505448.db2.gz OUTZBORFOYKZBN-FLFQWRMESA-N 0 0 419.377 6.237 40 0 HKABRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccccc1F ZINC000408562323 558505500 /nfs/dbraw/zinc/50/55/00/558505500.db2.gz OVTJLMCIXPATKN-NMWGTECJSA-N 0 0 409.313 5.732 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccccc2F)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408562327 558505482 /nfs/dbraw/zinc/50/54/82/558505482.db2.gz OVXTUWWFVUACCJ-GFMRDNFCSA-N 0 0 423.340 5.986 40 0 HKABRN CCCCOc1ccc(C(=O)/N=c2\sc(CC)c(-c3ccc(C)cc3)n2CC)cc1 ZINC000408562328 558505506 /nfs/dbraw/zinc/50/55/06/558505506.db2.gz OWYZBAWIFOQRMA-QPLCGJKRSA-N 0 0 422.594 6.027 40 0 HKABRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccc(F)cc1 ZINC000408562443 557460838 /nfs/dbraw/zinc/46/08/38/557460838.db2.gz POJFIGBEOZMKHZ-NMWGTECJSA-N 0 0 409.313 5.732 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccccc2Br)n(CC)c1-c1ccccc1 ZINC000408562448 557460921 /nfs/dbraw/zinc/46/09/21/557460921.db2.gz PPKSNMMOASKOGQ-XDOYNYLZSA-N 0 0 415.356 5.303 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(CC)c1-c1ccc(F)cc1 ZINC000408562452 557460944 /nfs/dbraw/zinc/46/09/44/557460944.db2.gz PQQUKCSZZNQMAQ-GFMRDNFCSA-N 0 0 423.340 5.986 40 0 HKABRN CCCc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408562468 558505509 /nfs/dbraw/zinc/50/55/09/558505509.db2.gz PVGJSLJJDUUZPQ-FLFQWRMESA-N 0 0 419.377 6.237 40 0 HKABRN CCCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(CC)c1-c1ccccc1 ZINC000408562472 558505503 /nfs/dbraw/zinc/50/55/03/558505503.db2.gz PWJKZDDERYBFNV-LCUIJRPUSA-N 0 0 408.611 5.833 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccccc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408562475 558505540 /nfs/dbraw/zinc/50/55/40/558505540.db2.gz PWQCFNXQRZGZKD-ATJXCDBQSA-N 0 0 405.350 5.847 40 0 HKABRN CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccccc1Br ZINC000408562476 558505473 /nfs/dbraw/zinc/50/54/73/558505473.db2.gz PWZPNSYDZRRREH-QOCHGBHMSA-N 0 0 419.319 5.188 40 0 HKABRN CCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(CC)c1-c1ccc(C)cc1 ZINC000408562481 558505480 /nfs/dbraw/zinc/50/54/80/558505480.db2.gz PZMDEVQFPUEWGC-LCUIJRPUSA-N 0 0 408.611 5.751 40 0 HKABRN CCc1s/c(=N\C(=O)c2cc(OC)cc(OC)c2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408562520 557461201 /nfs/dbraw/zinc/46/12/01/557461201.db2.gz QNTOSLFQQQOARG-IZHYLOQSSA-N 0 0 424.566 5.174 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)CSCc3ccc(OC)cc3)ccc21 ZINC000408562549 558505451 /nfs/dbraw/zinc/50/54/51/558505451.db2.gz AOJFUOHKRBKPLI-UHFFFAOYSA-N 0 0 404.535 5.695 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1 ZINC000408562552 557461340 /nfs/dbraw/zinc/46/13/40/557461340.db2.gz AUHRZEXQBBYOMI-UHFFFAOYSA-N 0 0 409.910 5.308 40 0 HKABRN O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1Oc1ccccc1 ZINC000408562591 557461466 /nfs/dbraw/zinc/46/14/66/557461466.db2.gz CSXVVIVPYNKEAC-UHFFFAOYSA-N 0 0 418.345 6.658 40 0 HKABRN O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000408562620 558505593 /nfs/dbraw/zinc/50/55/93/558505593.db2.gz QZEOBFVHCSXEEX-UHFFFAOYSA-N 0 0 406.473 5.984 40 0 HKABRN CCn1c2c(s/c1=N\C(=O)c1ccc(Cl)cc1Cl)CCc1ccccc1-2 ZINC000408562624 557461417 /nfs/dbraw/zinc/46/14/17/557461417.db2.gz QZTBQBWSVFYSKW-ATJXCDBQSA-N 0 0 403.334 5.383 40 0 HKABRN CCCc1s/c(=N\C(=O)c2cccc(Cl)c2)n(CC)c1-c1ccc(F)cc1 ZINC000408562640 557461696 /nfs/dbraw/zinc/46/16/96/557461696.db2.gz RCDZNGMOPVATJD-FLFQWRMESA-N 0 0 402.922 5.723 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccc(F)cc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408562662 558505651 /nfs/dbraw/zinc/50/56/51/558505651.db2.gz RFMUAVVXVZCYBI-GFMRDNFCSA-N 0 0 423.340 5.986 40 0 HKABRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccccc1C ZINC000408562670 557461694 /nfs/dbraw/zinc/46/16/94/557461694.db2.gz RHINVGKLCPHQNZ-XDOYNYLZSA-N 0 0 415.356 5.357 40 0 HKABRN CCCc1s/c(=N\C(=O)c2cccc3ccccc32)n(CC)c1-c1ccc(F)cc1 ZINC000408562671 558505672 /nfs/dbraw/zinc/50/56/72/558505672.db2.gz RHUBSUDAXJUXHC-RFBIWTDZSA-N 0 0 418.537 6.222 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccccc2Cl)n(CC)c1-c1ccc(Cl)cc1 ZINC000408562685 558505731 /nfs/dbraw/zinc/50/57/31/558505731.db2.gz RISNJSDOQSCSDZ-ATJXCDBQSA-N 0 0 405.350 5.847 40 0 HKABRN CCCc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(CC)c1-c1ccc(F)cc1 ZINC000408562707 558505684 /nfs/dbraw/zinc/50/56/84/558505684.db2.gz RNNYTOAVCGSBHN-PNHLSOANSA-N 0 0 424.585 6.367 40 0 HKABRN CCCc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(CC)c1-c1ccccc1 ZINC000408562714 557461648 /nfs/dbraw/zinc/46/16/48/557461648.db2.gz RPMUDUMVXYBGKZ-LCUIJRPUSA-N 0 0 406.595 6.228 40 0 HKABRN CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1cccc(Br)c1 ZINC000408562736 558505692 /nfs/dbraw/zinc/50/56/92/558505692.db2.gz RVJIECUAAWIOCF-XDOYNYLZSA-N 0 0 415.356 5.357 40 0 HKABRN CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1cc(Cl)ccc1OC ZINC000408562764 558505728 /nfs/dbraw/zinc/50/57/28/558505728.db2.gz SBGCVJUHKSDGBD-GYHWCHFESA-N 0 0 414.958 5.565 40 0 HKABRN CC(C)Oc1cccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 ZINC000408562841 558505602 /nfs/dbraw/zinc/50/56/02/558505602.db2.gz FQJVPUKPUFTEJS-UHFFFAOYSA-N 0 0 411.954 6.672 40 0 HKABRN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(CSc2ccccc2)cc1 ZINC000408562891 557462176 /nfs/dbraw/zinc/46/21/76/557462176.db2.gz GMORLSURIGRHAR-UHFFFAOYSA-N 0 0 411.526 7.024 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccccc2C)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408562914 557462114 /nfs/dbraw/zinc/46/21/14/557462114.db2.gz SGKDNRFQIJCOTK-FLFQWRMESA-N 0 0 419.377 6.155 40 0 HKABRN O=C(CSc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000408562930 558505659 /nfs/dbraw/zinc/50/56/59/558505659.db2.gz GXNOWSQFJFXVSW-UHFFFAOYSA-N 0 0 402.947 5.087 40 0 HKABRN Cc1cccc(N2CCN(C(=O)CSCc3c(Cl)cccc3Cl)CC2)c1C ZINC000408562935 557462058 /nfs/dbraw/zinc/46/20/58/557462058.db2.gz HBHYWCVYUQZEHV-UHFFFAOYSA-N 0 0 423.409 5.192 40 0 HKABRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1cccs1 ZINC000408563001 557462393 /nfs/dbraw/zinc/46/23/93/557462393.db2.gz SSVDCJDHFVSVQD-ZPHPHTNESA-N 0 0 407.358 5.110 40 0 HKABRN CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 ZINC000408563043 557462428 /nfs/dbraw/zinc/46/24/28/557462428.db2.gz TVAGLLJVCICGPT-LCUIJRPUSA-N 0 0 406.595 6.200 40 0 HKABRN CCCc1s/c(=N\C(=O)c2ccccc2Cl)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408563081 557462466 /nfs/dbraw/zinc/46/24/66/557462466.db2.gz UACZOZGOVZGTSI-BZZOAKBMSA-N 0 0 412.986 6.200 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(CC)c1-c1ccc(C)cc1 ZINC000408563084 558505903 /nfs/dbraw/zinc/50/59/03/558505903.db2.gz UAWSRXGMAOBOEG-LCUIJRPUSA-N 0 0 406.595 6.146 40 0 HKABRN CCn1c2c(sc1=NC(=O)C(c1ccccc1)c1ccccc1)CCc1ccccc1-2 ZINC000408563090 558505897 /nfs/dbraw/zinc/50/58/97/558505897.db2.gz UBBWKRHXTHDSKF-DQSJHHFOSA-N 0 0 424.569 5.595 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)CSCc3cc(C)cc(C)c3)ccc21 ZINC000408563126 557462716 /nfs/dbraw/zinc/46/27/16/557462716.db2.gz JEWTXGHUOUEBLT-UHFFFAOYSA-N 0 0 402.563 6.303 40 0 HKABRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccccc1 ZINC000408563152 557462811 /nfs/dbraw/zinc/46/28/11/557462811.db2.gz UGNUFGIXZQJFAI-VZCXRCSSSA-N 0 0 401.329 5.049 40 0 HKABRN COc1cc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc(OC)c1OC ZINC000408563228 557462917 /nfs/dbraw/zinc/46/29/17/557462917.db2.gz KHWVWHHWENELLT-UHFFFAOYSA-N 0 0 409.507 5.257 40 0 HKABRN CCCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(CC)c1-c1ccccc1 ZINC000408563239 557462824 /nfs/dbraw/zinc/46/28/24/557462824.db2.gz UWTOPKORWYJLLO-GYHWCHFESA-N 0 0 414.958 5.592 40 0 HKABRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1cccc(C)c1 ZINC000408563252 557462925 /nfs/dbraw/zinc/46/29/25/557462925.db2.gz UZNRYGGVJLLLIU-ATJXCDBQSA-N 0 0 405.350 5.901 40 0 HKABRN O=C(CSCc1c(Cl)cccc1Cl)NC(c1ccccc1)c1ccccc1 ZINC000408563276 557463036 /nfs/dbraw/zinc/46/30/36/557463036.db2.gz KSHAYGYMPHBECO-UHFFFAOYSA-N 0 0 416.373 6.132 40 0 HKABRN Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)c1 ZINC000408563279 557462935 /nfs/dbraw/zinc/46/29/35/557462935.db2.gz KYFIHYHQKRALKE-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408563354 557451342 /nfs/dbraw/zinc/45/13/42/557451342.db2.gz VLCKTFDSHRAPDP-RFBIWTDZSA-N 0 0 420.622 6.454 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccc(Br)cc2)n(CC)c1-c1ccccc1 ZINC000408563370 558505930 /nfs/dbraw/zinc/50/59/30/558505930.db2.gz VNEBXGODBGJBEH-XDOYNYLZSA-N 0 0 415.356 5.303 40 0 HKABRN CCCc1s/c(=N\C(=O)c2ccc(OC)cc2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408563659 558503965 /nfs/dbraw/zinc/50/39/65/558503965.db2.gz WEGNOGDFPXVQTG-GYHWCHFESA-N 0 0 414.958 5.592 40 0 HKABRN CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1cc(Cl)ccc1OC ZINC000408563664 557470303 /nfs/dbraw/zinc/47/03/03/557470303.db2.gz WHAZLJXLAHZXFN-ATJXCDBQSA-N 0 0 421.349 5.601 40 0 HKABRN CCCc1s/c(=N\C(=O)c2cccc(F)c2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408563679 558503910 /nfs/dbraw/zinc/50/39/10/558503910.db2.gz WMNPIAJNVVIIDP-FLFQWRMESA-N 0 0 402.922 5.723 40 0 HKABRN CCCc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408563680 558504012 /nfs/dbraw/zinc/50/40/12/558504012.db2.gz WOHHMIOCDMOGAQ-BZZOAKBMSA-N 0 0 412.986 6.200 40 0 HKABRN CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccc(Cl)cc1Cl ZINC000408563740 558503969 /nfs/dbraw/zinc/50/39/69/558503969.db2.gz WYXZMQMPGANAJM-NMWGTECJSA-N 0 0 409.313 5.732 40 0 HKABRN O=C(Nc1ccccc1C(=O)N1CCCCC1)/C(=C/c1ccccc1)c1ccccc1 ZINC000408563745 558503979 /nfs/dbraw/zinc/50/39/79/558503979.db2.gz PBGHXNFRILXFTR-HIXSDJFHSA-N 0 0 410.517 5.492 40 0 HKABRN CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccccc1Br ZINC000408563751 557470363 /nfs/dbraw/zinc/47/03/63/557470363.db2.gz XBCNKLPZCCWGGD-XDOYNYLZSA-N 0 0 415.356 5.357 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)CSCc3ccccc3Cl)ccc21 ZINC000408563781 558503962 /nfs/dbraw/zinc/50/39/62/558503962.db2.gz PMWNDBSGMWUFGQ-UHFFFAOYSA-N 0 0 408.954 6.340 40 0 HKABRN O=C(Nc1ccccc1C(=O)N1CCCCC1)/C(=C/c1ccco1)c1ccccc1 ZINC000408563788 557470367 /nfs/dbraw/zinc/47/03/67/557470367.db2.gz PVNYSYHMJAGIQB-RELWKKBWSA-N 0 0 400.478 5.085 40 0 HKABRN O=C(CSCc1cccc(Cl)c1)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000408563802 557470242 /nfs/dbraw/zinc/47/02/42/557470242.db2.gz QRFWVEWVJWUQBN-UHFFFAOYSA-N 0 0 416.974 5.228 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)/C(=C/c3ccco3)c3ccccc3)ccc21 ZINC000408563807 558503966 /nfs/dbraw/zinc/50/39/66/558503966.db2.gz QWLDUDJXUZYXEC-PTGBLXJZSA-N 0 0 406.485 6.587 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000408563839 558504207 /nfs/dbraw/zinc/50/42/07/558504207.db2.gz ROUSJDHFNKDWJU-UHFFFAOYSA-N 0 0 423.581 6.807 40 0 HKABRN CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccc(Cl)cc1Cl ZINC000408564041 557470790 /nfs/dbraw/zinc/47/07/90/557470790.db2.gz XEYFKOUTGKEPFX-ATJXCDBQSA-N 0 0 405.350 5.901 40 0 HKABRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccccc1C ZINC000408564060 557470819 /nfs/dbraw/zinc/47/08/19/557470819.db2.gz XJEUZDDPHDVKQH-ATJXCDBQSA-N 0 0 405.350 5.901 40 0 HKABRN CCc1s/c(=N\C(=O)c2cccc(Cl)c2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408564073 558504134 /nfs/dbraw/zinc/50/41/34/558504134.db2.gz XLDFHLVUBXCHOA-ATJXCDBQSA-N 0 0 405.350 5.847 40 0 HKABRN CCCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(CC)c1-c1ccc(C)cc1 ZINC000408564133 558504111 /nfs/dbraw/zinc/50/41/11/558504111.db2.gz YDUZVZQBAKLKIO-RFBIWTDZSA-N 0 0 422.638 6.141 40 0 HKABRN Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 ZINC000408564148 557471033 /nfs/dbraw/zinc/47/10/33/557471033.db2.gz SAQSQHVMWWFQCU-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)/C(=C/c1ccccc1)c1ccccc1 ZINC000408564156 557471079 /nfs/dbraw/zinc/47/10/79/557471079.db2.gz SBMSDJKRVUZNBL-QGOAFFKASA-N 0 0 401.815 6.538 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)CSCc3cccc(Cl)c3)ccc21 ZINC000408564171 557471086 /nfs/dbraw/zinc/47/10/86/557471086.db2.gz SGWZIYXYTIERPV-UHFFFAOYSA-N 0 0 408.954 6.340 40 0 HKABRN COc1ccc(/C=C(/C(=O)Nc2cc(OC)c(Cl)cc2OC)c2ccccc2)cc1 ZINC000408564203 557471067 /nfs/dbraw/zinc/47/10/67/557471067.db2.gz SSKLAFANOBZTKO-CPNJWEJPSA-N 0 0 423.896 5.545 40 0 HKABRN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000408564277 557471029 /nfs/dbraw/zinc/47/10/29/557471029.db2.gz UUHSVPCPASOVOB-UHFFFAOYSA-N 0 0 411.998 6.331 40 0 HKABRN O=C(NC1CCCCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408564297 557471076 /nfs/dbraw/zinc/47/10/76/557471076.db2.gz VDKXLNHWMPBMHT-RUZDIDTESA-N 0 0 422.594 5.304 40 0 HKABRN O=C(NC1CCCCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408564300 557471262 /nfs/dbraw/zinc/47/12/62/557471262.db2.gz VDKXLNHWMPBMHT-VWLOTQADSA-N 0 0 422.594 5.304 40 0 HKABRN COc1ccc(CSCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000408564316 557471322 /nfs/dbraw/zinc/47/13/22/557471322.db2.gz VPGKQAOSIZIXBE-UHFFFAOYSA-N 0 0 421.606 6.035 40 0 HKABRN COC(=O)c1c(NC(=O)/C(=C/c2ccccc2)c2ccccc2)sc2c1CCC2 ZINC000408564322 557471265 /nfs/dbraw/zinc/47/12/65/557471265.db2.gz VTQWIDLOTWTSOJ-XDJHFCHBSA-N 0 0 403.503 5.203 40 0 HKABRN Cc1cc(C)cc(CSCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000408564327 557471245 /nfs/dbraw/zinc/47/12/45/557471245.db2.gz VXDZAEGAXYOABJ-UHFFFAOYSA-N 0 0 423.965 6.060 40 0 HKABRN CCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408564438 558504163 /nfs/dbraw/zinc/50/41/63/558504163.db2.gz YFJVYEJXVGEWQU-RFBIWTDZSA-N 0 0 422.638 6.059 40 0 HKABRN CCCc1s/c(=N\C(=O)c2ccccc2OC)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408564463 557471485 /nfs/dbraw/zinc/47/14/85/557471485.db2.gz YLWLUMMXHLXRNO-IZHYLOQSSA-N 0 0 408.567 5.556 40 0 HKABRN CCc1s/c(=N\C(=O)c2cccc(OC)c2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408564485 557471593 /nfs/dbraw/zinc/47/15/93/557471593.db2.gz YTACNPCXQDFLAL-LNVKXUELSA-N 0 0 400.931 5.202 40 0 HKABRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1cccc(OC)c1 ZINC000408564535 557471859 /nfs/dbraw/zinc/47/18/59/557471859.db2.gz ZENZKRZGHRPOTB-ATJXCDBQSA-N 0 0 421.349 5.601 40 0 HKABRN CCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(CC)c1-c1ccccc1 ZINC000408564568 557471758 /nfs/dbraw/zinc/47/17/58/557471758.db2.gz ZPFJCEBBHMFDDY-LNVKXUELSA-N 0 0 400.931 5.202 40 0 HKABRN CCCc1s/c(=N\C(=O)c2ccc(F)cc2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408564579 558505530 /nfs/dbraw/zinc/50/55/30/558505530.db2.gz ZRHFIHGNPJZIGU-FLFQWRMESA-N 0 0 402.922 5.723 40 0 HKABRN O=C(CSCc1c(F)cccc1Cl)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408564601 558503972 /nfs/dbraw/zinc/50/39/72/558503972.db2.gz YEEDNOBACXSNPB-UHFFFAOYSA-N 0 0 412.235 6.023 40 0 HKABRN Cc1ccc(CSCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000408564610 557471766 /nfs/dbraw/zinc/47/17/66/557471766.db2.gz YSVILDCWUHNQNE-UHFFFAOYSA-N 0 0 409.938 5.751 40 0 HKABRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1cccc(F)c1 ZINC000408564613 557471800 /nfs/dbraw/zinc/47/18/00/557471800.db2.gz ZWRBGZRPOPYKHO-NMWGTECJSA-N 0 0 409.313 5.732 40 0 HKABRN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(CSc2ccccc2)cc1 ZINC000408565235 557463322 /nfs/dbraw/zinc/46/33/22/557463322.db2.gz IZRARMLAJHAUCS-UHFFFAOYSA-N 0 0 409.554 6.498 40 0 HKABRN COc1ccc(/C=C/C(=O)Nc2ccccc2Oc2ccccc2)c(OC)c1OC ZINC000408565237 558506479 /nfs/dbraw/zinc/50/64/79/558506479.db2.gz JBXSNPLQLZZULT-JQIJEIRASA-N 0 0 405.450 5.157 40 0 HKABRN O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000408565294 557463341 /nfs/dbraw/zinc/46/33/41/557463341.db2.gz JKKWJHILHAGTDI-UHFFFAOYSA-N 0 0 416.974 5.477 40 0 HKABRN CCCOc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1OCC ZINC000408565832 557463827 /nfs/dbraw/zinc/46/38/27/557463827.db2.gz AYIPCSPMXPSFSA-PKNBQFBNSA-N 0 0 404.304 5.289 40 0 HKABRN CCCOc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2)cc1OCC ZINC000408566374 557464519 /nfs/dbraw/zinc/46/45/19/557464519.db2.gz GACGUHWJCAQVAP-WUXMJOGZSA-N 0 0 404.304 5.289 40 0 HKABRN COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(OC)c1OC ZINC000408566442 557464771 /nfs/dbraw/zinc/46/47/71/557464771.db2.gz OBCWVPNIELWWLE-WEVVVXLNSA-N 0 0 415.795 5.037 40 0 HKABRN CCCOc1ccc(/C=C/C(=O)Nc2ccccc2Oc2ccccc2)cc1OC ZINC000408567039 558506828 /nfs/dbraw/zinc/50/68/28/558506828.db2.gz KLNXOJLWQUGMGF-JQIJEIRASA-N 0 0 403.478 5.928 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000408567090 557465377 /nfs/dbraw/zinc/46/53/77/557465377.db2.gz PQQQTGCPVQPWBV-UHFFFAOYSA-N 0 0 416.974 5.228 40 0 HKABRN COc1cc(C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc(OC)c1OC ZINC000408567218 558506926 /nfs/dbraw/zinc/50/69/26/558506926.db2.gz QJWZJAAPVYJHKB-UHFFFAOYSA-N 0 0 423.534 5.565 40 0 HKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(F)(F)F ZINC000408567227 557465347 /nfs/dbraw/zinc/46/53/47/557465347.db2.gz KWZNVJMWKLZPIU-UHFFFAOYSA-N 0 0 416.237 5.899 40 0 HKABRN CCCOc1ccc(/C=C/C(=O)Nc2ccc(Br)c(Cl)c2)cc1OC ZINC000408567277 557465593 /nfs/dbraw/zinc/46/55/93/557465593.db2.gz LHBKQOLIUPLXBG-WEVVVXLNSA-N 0 0 424.722 5.552 40 0 HKABRN CCCOc1ccc(/C=C/C(=O)Nc2ccccc2Br)cc1OCC ZINC000408567350 558507116 /nfs/dbraw/zinc/50/71/16/558507116.db2.gz MAFKFYFQKAFZRL-ZRDIBKRKSA-N 0 0 404.304 5.289 40 0 HKABRN O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000408567452 557465586 /nfs/dbraw/zinc/46/55/86/557465586.db2.gz DZGVIRQNIUCNII-UHFFFAOYSA-N 0 0 423.559 5.975 40 0 HKABRN O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(Nc2ccccc2)cc1 ZINC000408567490 558507032 /nfs/dbraw/zinc/50/70/32/558507032.db2.gz FGWQDIUMEOIWCO-UHFFFAOYSA-N 0 0 422.575 5.926 40 0 HKABRN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)/C(=C/c1ccco1)c1ccccc1 ZINC000408567831 558507096 /nfs/dbraw/zinc/50/70/96/558507096.db2.gz RRXXOLJQRRWGOQ-JVWAILMASA-N 0 0 423.556 6.927 40 0 HKABRN CCCOc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCC ZINC000408567891 558507036 /nfs/dbraw/zinc/50/70/36/558507036.db2.gz QDUSBGOKTKLESJ-GZTJUZNOSA-N 0 0 417.505 6.318 40 0 HKABRN CCCOc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2C)cc1OCC ZINC000408568400 558507010 /nfs/dbraw/zinc/50/70/10/558507010.db2.gz TWMMGVSOQUZILK-YRNVUSSQSA-N 0 0 418.331 5.597 40 0 HKABRN CCCOc1ccc(/C=C/C(=O)Nc2ccccc2Oc2ccccc2)cc1OCC ZINC000408568621 557465849 /nfs/dbraw/zinc/46/58/49/557465849.db2.gz VOJIWRGCUPHIDW-BMRADRMJSA-N 0 0 417.505 6.318 40 0 HKABRN O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(Oc2ccccc2)nc1 ZINC000408568632 557466165 /nfs/dbraw/zinc/46/61/65/557466165.db2.gz KSJWVALLXISBRB-UHFFFAOYSA-N 0 0 424.547 5.370 40 0 HKABRN COc1cccc2cc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)oc21 ZINC000408569014 557466703 /nfs/dbraw/zinc/46/67/03/557466703.db2.gz LYITUNPERCVDFY-UHFFFAOYSA-N 0 0 401.506 6.162 40 0 HKABRN S=C(NCc1ccc(Cl)cc1)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000408571215 558508211 /nfs/dbraw/zinc/50/82/11/558508211.db2.gz AGDJNXOFMJLQTN-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN COc1cc(C(=S)NCc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408571235 557468687 /nfs/dbraw/zinc/46/86/87/557468687.db2.gz AMXJNRLFYBMHQT-UHFFFAOYSA-N 0 0 415.917 5.532 40 0 HKABRN Cc1ccccc1CNC(=S)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408571240 557468602 /nfs/dbraw/zinc/46/86/02/557468602.db2.gz ANVOPFMNJXAQEL-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN COc1ccc(CNC(=S)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 ZINC000408571249 558508197 /nfs/dbraw/zinc/50/81/97/558508197.db2.gz AQQKXWSLMAGWMQ-UHFFFAOYSA-N 0 0 415.917 5.532 40 0 HKABRN S=C(NCc1ccccc1)c1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000408571308 558508083 /nfs/dbraw/zinc/50/80/83/558508083.db2.gz AZNWYNLOTKOYEA-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000408571342 558508087 /nfs/dbraw/zinc/50/80/87/558508087.db2.gz AIPQUAPXIKFMOW-FYWRMAATSA-N 0 0 422.509 6.875 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000408571440 558508110 /nfs/dbraw/zinc/50/81/10/558508110.db2.gz BDDATZYUXNFKJA-VQHVLOKHSA-N 0 0 417.317 5.780 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccccc1C(F)(F)F ZINC000408571484 557468948 /nfs/dbraw/zinc/46/89/48/557468948.db2.gz CKCKTZKJIKDWRT-ACCUITESSA-N 0 0 416.424 5.492 40 0 HKABRN COCCNC(=S)c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000408571500 558508204 /nfs/dbraw/zinc/50/82/04/558508204.db2.gz BINSBLOQYFVUBJ-UHFFFAOYSA-N 0 0 404.746 5.137 40 0 HKABRN O=C(C(=O)N1CCCCC1)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000408571571 557469069 /nfs/dbraw/zinc/46/90/69/557469069.db2.gz PBCINHCKOOTPTD-UHFFFAOYSA-N 0 0 415.320 5.192 40 0 HKABRN CCOc1cc(C(=S)NCc2ccccc2C)ccc1OCc1ccc(F)cc1 ZINC000408571601 558505963 /nfs/dbraw/zinc/50/59/63/558505963.db2.gz BVJALZMRDOJAKI-UHFFFAOYSA-N 0 0 409.526 5.577 40 0 HKABRN Cc1ccc(CNC(=S)c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000408571609 558505945 /nfs/dbraw/zinc/50/59/45/558505945.db2.gz BXEDNKPRNKGHLC-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN COc1ccc(CCNC(=S)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000408571673 558505934 /nfs/dbraw/zinc/50/59/34/558505934.db2.gz CGWROEYKKXCZLP-UHFFFAOYSA-N 0 0 411.954 5.435 40 0 HKABRN COc1ccc(CCNC(=S)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000408571680 557469045 /nfs/dbraw/zinc/46/90/45/557469045.db2.gz CJEJRLJFKFTDHP-UHFFFAOYSA-N 0 0 411.954 5.435 40 0 HKABRN Cc1nnc2sc(-c3ccccc3NC(=O)c3cccc4c(Cl)cccc34)nn12 ZINC000408571742 557469027 /nfs/dbraw/zinc/46/90/27/557469027.db2.gz DXLZDEKMSDMMTA-UHFFFAOYSA-N 0 0 419.897 5.220 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000408571745 558505877 /nfs/dbraw/zinc/50/58/77/558505877.db2.gz DYNIXHNVNMKFAO-DHZHZOJOSA-N 0 0 408.885 5.089 40 0 HKABRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccccc2)o1 ZINC000408571765 558505954 /nfs/dbraw/zinc/50/59/54/558505954.db2.gz FNKRYQJFTFYFJR-FYPAKXHLSA-N 0 0 404.535 5.987 40 0 HKABRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccccc2)o1 ZINC000408571766 558505975 /nfs/dbraw/zinc/50/59/75/558505975.db2.gz FNKRYQJFTFYFJR-ZQHZRZASSA-N 0 0 404.535 5.987 40 0 HKABRN CCN(CC)c1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)cc1 ZINC000408571777 558505922 /nfs/dbraw/zinc/50/59/22/558505922.db2.gz FVRXUYPXHIVXJC-BMRADRMJSA-N 0 0 419.550 5.319 40 0 HKABRN COc1cc(C(=S)NCc2ccccc2C)ccc1OCc1ccccc1Cl ZINC000408571797 558506114 /nfs/dbraw/zinc/50/61/14/558506114.db2.gz CNTNGYYFRAWVDD-UHFFFAOYSA-N 0 0 411.954 5.701 40 0 HKABRN S=C(NCCc1ccccc1)c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000408571814 558506181 /nfs/dbraw/zinc/50/61/81/558506181.db2.gz CQXZLLFAXSVDBV-UHFFFAOYSA-N 0 0 416.373 6.080 40 0 HKABRN COc1cccc(C(=S)NCc2ccc(Cl)cc2)c1OCc1ccc(F)cc1 ZINC000408571841 557469006 /nfs/dbraw/zinc/46/90/06/557469006.db2.gz CTDYHVFPRJHHRU-UHFFFAOYSA-N 0 0 415.917 5.532 40 0 HKABRN Cc1cccc(CNC(=S)c2ccc(OCc3c(Cl)cccc3Cl)cc2)c1 ZINC000408571853 557469240 /nfs/dbraw/zinc/46/92/40/557469240.db2.gz CVKGXSPMKWVFME-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN COc1cc(C(=S)NCc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1 ZINC000408571871 557469168 /nfs/dbraw/zinc/46/91/68/557469168.db2.gz CZVGZUYXKJOFIW-UHFFFAOYSA-N 0 0 411.954 5.701 40 0 HKABRN S=C(NCc1ccccc1)c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000408571894 557469185 /nfs/dbraw/zinc/46/91/85/557469185.db2.gz DDGOWGCPSJWYPG-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN S=C(NCCc1ccccc1)c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408571946 558506202 /nfs/dbraw/zinc/50/62/02/558506202.db2.gz DLKRZMSRQXLIOG-UHFFFAOYSA-N 0 0 416.373 6.080 40 0 HKABRN COc1cc(C(=S)NCc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408571987 558506213 /nfs/dbraw/zinc/50/62/13/558506213.db2.gz DRQDSNZWAQUAHK-UHFFFAOYSA-N 0 0 411.954 5.701 40 0 HKABRN CCOc1cc(C(=S)NCc2ccc(CC)cc2)ccc1OCc1ccccc1 ZINC000408571988 557469200 /nfs/dbraw/zinc/46/92/00/557469200.db2.gz DRZLWDWOOZQZSY-UHFFFAOYSA-N 0 0 405.563 5.692 40 0 HKABRN Fc1ccc(COc2cccc(C(=S)N3CCC(Cc4ccccc4)CC3)c2)cc1 ZINC000408572037 557469233 /nfs/dbraw/zinc/46/92/33/557469233.db2.gz DXFNHJACRPAUHA-UHFFFAOYSA-N 0 0 419.565 6.035 40 0 HKABRN Cc1ccccc1CNC(=S)c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000408572056 558506171 /nfs/dbraw/zinc/50/61/71/558506171.db2.gz FBAAPBIWTWIRCW-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN CCOc1cc(C(=S)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000408572084 558506125 /nfs/dbraw/zinc/50/61/25/558506125.db2.gz FERJCURRSWVXPI-UHFFFAOYSA-N 0 0 411.954 5.783 40 0 HKABRN Fc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408572132 558506138 /nfs/dbraw/zinc/50/61/38/558506138.db2.gz FHIZBTJZYLHPSB-UHFFFAOYSA-N 0 0 420.336 6.177 40 0 HKABRN COc1cc(C(=S)NCc2ccco2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408572142 558506082 /nfs/dbraw/zinc/50/60/82/558506082.db2.gz FJOUKMUKPOFGLU-UHFFFAOYSA-N 0 0 422.333 5.639 40 0 HKABRN CCOc1cc(C(=S)NCc2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000408572206 558506207 /nfs/dbraw/zinc/50/62/07/558506207.db2.gz FPPNHLDTCNEUAF-UHFFFAOYSA-N 0 0 411.954 5.783 40 0 HKABRN S=C(NCCc1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408572211 558506176 /nfs/dbraw/zinc/50/61/76/558506176.db2.gz FPYFUCGBCFEREI-UHFFFAOYSA-N 0 0 416.373 6.080 40 0 HKABRN S=C(NCc1ccccc1)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408572244 557469559 /nfs/dbraw/zinc/46/95/59/557469559.db2.gz FUJNYNPACIDMIS-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1nc2ccc(F)cc2s1 ZINC000408572249 557469564 /nfs/dbraw/zinc/46/95/64/557469564.db2.gz HOGJSOCKFHKFAO-DHZHZOJOSA-N 0 0 423.494 5.222 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc2c3c(cccc31)CC2 ZINC000408572287 557469470 /nfs/dbraw/zinc/46/94/70/557469470.db2.gz IGYHTCLQARVFGK-DTQAZKPQSA-N 0 0 424.525 5.725 40 0 HKABRN CCOc1cc(C(=S)NCCc2ccc(OC)cc2)ccc1OCc1ccccc1 ZINC000408572296 557469566 /nfs/dbraw/zinc/46/95/66/557469566.db2.gz FWOWHPXLHRKDNV-UHFFFAOYSA-N 0 0 421.562 5.181 40 0 HKABRN CCOc1cc(C(=S)NCc2ccco2)ccc1OCc1ccccc1Cl ZINC000408572297 557469457 /nfs/dbraw/zinc/46/94/57/557469457.db2.gz FWQSOHGSJHIPTR-UHFFFAOYSA-N 0 0 401.915 5.376 40 0 HKABRN COc1cc(C(=S)NCc2ccccc2C)cc(Cl)c1OCc1ccccc1 ZINC000408572357 558506218 /nfs/dbraw/zinc/50/62/18/558506218.db2.gz GKHCQMMDOHKLFI-UHFFFAOYSA-N 0 0 411.954 5.701 40 0 HKABRN S=C(c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)N1CCCCC1 ZINC000408572365 557469498 /nfs/dbraw/zinc/46/94/98/557469498.db2.gz GLNPYUXDKVBJST-UHFFFAOYSA-N 0 0 414.785 6.387 40 0 HKABRN COc1ccc(CCNC(=S)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000408572369 558506065 /nfs/dbraw/zinc/50/60/65/558506065.db2.gz GMJWSAALBMHSFX-UHFFFAOYSA-N 0 0 411.954 5.435 40 0 HKABRN S=C(NCc1ccc2c(c1)OCO2)c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408572408 558506198 /nfs/dbraw/zinc/50/61/98/558506198.db2.gz GTXWCOXHVZMTTF-UHFFFAOYSA-N 0 0 411.910 5.113 40 0 HKABRN Cc1ccc(CNC(=S)c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408572417 558506210 /nfs/dbraw/zinc/50/62/10/558506210.db2.gz GXBMBELPYXXZAP-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN Cc1cccc(CNC(=S)c2ccc(OCc3ccccc3Cl)c(Cl)c2)c1 ZINC000408572430 558506151 /nfs/dbraw/zinc/50/61/51/558506151.db2.gz GZDSBEFKTOYDSB-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN Fc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000408572435 557469554 /nfs/dbraw/zinc/46/95/54/557469554.db2.gz GZVFEFVVINRSCH-UHFFFAOYSA-N 0 0 420.336 6.177 40 0 HKABRN S=C(NCc1ccccc1)c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408572437 557469529 /nfs/dbraw/zinc/46/95/29/557469529.db2.gz HAIGFTWUVOGWQU-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN Cc1cccc(CNC(=S)c2ccccc2OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408572445 558506142 /nfs/dbraw/zinc/50/61/42/558506142.db2.gz HAVJOFWVEVGZST-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN COc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408572459 558506156 /nfs/dbraw/zinc/50/61/56/558506156.db2.gz HENMDFSZJFISPR-UHFFFAOYSA-N 0 0 424.393 5.988 40 0 HKABRN COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1NC(=O)C(C)C ZINC000408572584 558506109 /nfs/dbraw/zinc/50/61/09/558506109.db2.gz KPHTZVHBRXOEDO-SDNWHVSQSA-N 0 0 404.466 5.202 40 0 HKABRN S=C(NCc1ccc2c(c1)OCO2)c1cccc(OCc2ccccc2Cl)c1 ZINC000408572662 558506074 /nfs/dbraw/zinc/50/60/74/558506074.db2.gz HOYNTNNLWAFLNU-UHFFFAOYSA-N 0 0 411.910 5.113 40 0 HKABRN COc1cccc(C(=S)N2CCCCC2)c1OCc1c(Cl)cccc1Cl ZINC000408572674 558506088 /nfs/dbraw/zinc/50/60/88/558506088.db2.gz HPGVDHANRADAOO-UHFFFAOYSA-N 0 0 410.366 5.742 40 0 HKABRN Fc1cccc(Cl)c1COc1ccc(C(=S)NCc2ccccc2Cl)cc1 ZINC000408572697 558506090 /nfs/dbraw/zinc/50/60/90/558506090.db2.gz HRPUUFSCQDKKFU-UHFFFAOYSA-N 0 0 420.336 6.177 40 0 HKABRN Cc1ccccc1CNC(=S)c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000408572701 558506098 /nfs/dbraw/zinc/50/60/98/558506098.db2.gz HSNPJOBKPHZDPM-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN Fc1ccc(CNC(=S)c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408572705 558506094 /nfs/dbraw/zinc/50/60/94/558506094.db2.gz HTSQVWHKRGQALJ-UHFFFAOYSA-N 0 0 420.336 6.177 40 0 HKABRN Cc1cccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 ZINC000408572717 558506161 /nfs/dbraw/zinc/50/61/61/558506161.db2.gz HVDJDJQRMYGTMX-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN Cc1ccccc1CNC(=S)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408572722 558506311 /nfs/dbraw/zinc/50/63/11/558506311.db2.gz HWKZQOCKPUHQJB-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN COc1cc(C(=S)NCc2cccc(C)c2)cc(Cl)c1OCc1ccccc1 ZINC000408572727 558506323 /nfs/dbraw/zinc/50/63/23/558506323.db2.gz HYBWIHMYBDNMHH-UHFFFAOYSA-N 0 0 411.954 5.701 40 0 HKABRN Fc1ccc(CNC(=S)c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408572735 558506347 /nfs/dbraw/zinc/50/63/47/558506347.db2.gz HYULGEWMYIMHME-UHFFFAOYSA-N 0 0 420.336 6.177 40 0 HKABRN Cc1cccc(CNC(=S)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c1 ZINC000408572740 558506329 /nfs/dbraw/zinc/50/63/29/558506329.db2.gz IAAATRBYDZKWMF-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN COCCNC(=S)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408572773 558506305 /nfs/dbraw/zinc/50/63/05/558506305.db2.gz IDDAGTCOTSCEHC-UHFFFAOYSA-N 0 0 404.746 5.137 40 0 HKABRN COc1cc(C(=S)NCCc2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000408572777 557471603 /nfs/dbraw/zinc/47/16/03/557471603.db2.gz IDSPMBKVZASAJK-UHFFFAOYSA-N 0 0 411.954 5.435 40 0 HKABRN Fc1ccc(CNC(=S)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 ZINC000408572778 557471589 /nfs/dbraw/zinc/47/15/89/557471589.db2.gz IEBWDZUOPKXBPK-UHFFFAOYSA-N 0 0 403.881 5.663 40 0 HKABRN COc1cc(C(=S)NCc2ccco2)cc(Cl)c1OCc1ccccc1Cl ZINC000408572781 557471790 /nfs/dbraw/zinc/47/17/90/557471790.db2.gz IGEWCMOKPXBCEZ-UHFFFAOYSA-N 0 0 422.333 5.639 40 0 HKABRN NC(=O)c1c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)sc2c1CCCCC2 ZINC000408573027 558506359 /nfs/dbraw/zinc/50/63/59/558506359.db2.gz LEJBBNCDOVXDQO-WYMLVPIESA-N 0 0 406.507 5.028 40 0 HKABRN COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)n2)cc1 ZINC000408573048 557475839 /nfs/dbraw/zinc/47/58/39/557475839.db2.gz LIUBFDDTPYZODZ-WYMLVPIESA-N 0 0 402.475 5.731 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000408573051 557475888 /nfs/dbraw/zinc/47/58/88/557475888.db2.gz LIUXGIIBJDEIBH-ZRDIBKRKSA-N 0 0 416.424 5.492 40 0 HKABRN COc1cccc(C(=S)NCc2ccco2)c1OCc1c(Cl)cccc1Cl ZINC000408573143 557468678 /nfs/dbraw/zinc/46/86/78/557468678.db2.gz INBONWAZTCTUIG-UHFFFAOYSA-N 0 0 422.333 5.639 40 0 HKABRN COc1ccc(CCNC(=S)c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000408573152 557468981 /nfs/dbraw/zinc/46/89/81/557468981.db2.gz INQREDHINRQLFK-UHFFFAOYSA-N 0 0 411.954 5.435 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(I)cc1 ZINC000408573221 558506381 /nfs/dbraw/zinc/50/63/81/558506381.db2.gz NAKHYFLPRUQJAE-ACCUITESSA-N 0 0 415.230 5.203 40 0 HKABRN COc1ccc(CCNC(=S)c2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000408573238 558506372 /nfs/dbraw/zinc/50/63/72/558506372.db2.gz JIHOOQAGOHUOOB-UHFFFAOYSA-N 0 0 411.954 5.435 40 0 HKABRN S=C(c1cc(Br)ccc1OCc1ccccc1Cl)N1CCCC1 ZINC000408573248 558506360 /nfs/dbraw/zinc/50/63/60/558506360.db2.gz JLDSUDMVEAVQQK-UHFFFAOYSA-N 0 0 410.764 5.453 40 0 HKABRN S=C(NCc1ccccc1Cl)c1cccc(OCc2ccccc2Cl)c1 ZINC000408573255 557475877 /nfs/dbraw/zinc/47/58/77/557475877.db2.gz JLSLWAYCKOECDB-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cc(Cl)ccc1Cl ZINC000408573256 558506378 /nfs/dbraw/zinc/50/63/78/558506378.db2.gz NESULTVOMBBHMC-DHZHZOJOSA-N 0 0 417.317 5.780 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(Cl)c1N1CCCCC1 ZINC000408573271 557475860 /nfs/dbraw/zinc/47/58/60/557475860.db2.gz NGMFFFSPRGTHDZ-FYWRMAATSA-N 0 0 406.913 6.242 40 0 HKABRN Fc1cccc(Cl)c1COc1ccc(Cl)cc1C(=S)NC[C@H]1CCCO1 ZINC000408573302 558506627 /nfs/dbraw/zinc/50/66/27/558506627.db2.gz JTDKNSKDFQFWEP-CYBMUJFWSA-N 0 0 414.329 5.156 40 0 HKABRN Fc1cccc(Cl)c1COc1ccc(Cl)cc1C(=S)NC[C@@H]1CCCO1 ZINC000408573305 558506587 /nfs/dbraw/zinc/50/65/87/558506587.db2.gz JTDKNSKDFQFWEP-ZDUSSCGKSA-N 0 0 414.329 5.156 40 0 HKABRN Cc1ccc(SCCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000408573357 557476107 /nfs/dbraw/zinc/47/61/07/557476107.db2.gz CLCCPIOATAFUAJ-UHFFFAOYSA-N 0 0 405.607 6.584 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)CSCc3ccc(Cl)cc3)ccc21 ZINC000408573371 557476023 /nfs/dbraw/zinc/47/60/23/557476023.db2.gz CXTQNAMDQIDZEQ-UHFFFAOYSA-N 0 0 408.954 6.340 40 0 HKABRN Cc1cc(C)cc(CSCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 ZINC000408573387 558508114 /nfs/dbraw/zinc/50/81/14/558508114.db2.gz DMQIYLTVDZKVAG-UHFFFAOYSA-N 0 0 410.583 5.192 40 0 HKABRN S=C(NCc1ccc(Cl)cc1)c1ccccc1OCc1ccccc1Cl ZINC000408573701 558509374 /nfs/dbraw/zinc/50/93/74/558509374.db2.gz JXNMCSDJRQKYRE-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN Cc1ccc(CNC(=S)c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 ZINC000408573709 558509355 /nfs/dbraw/zinc/50/93/55/558509355.db2.gz KAPMSTONFOHMFD-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN Cc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000408573761 558509321 /nfs/dbraw/zinc/50/93/21/558509321.db2.gz KIXKYFOACWBDHT-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN COc1cccc(C(=S)NCc2ccccc2C)c1OCc1ccccc1Cl ZINC000408573769 557476615 /nfs/dbraw/zinc/47/66/15/557476615.db2.gz KJZHSBOIXOLYSZ-UHFFFAOYSA-N 0 0 411.954 5.701 40 0 HKABRN COc1cccc(C(=S)NCc2ccc(C)cc2)c1OCc1ccccc1Cl ZINC000408573793 557476620 /nfs/dbraw/zinc/47/66/20/557476620.db2.gz KNSMPZDXGPNXIR-UHFFFAOYSA-N 0 0 411.954 5.701 40 0 HKABRN CCOc1cc(C(=S)NCc2ccco2)cc(Cl)c1OCc1ccccc1 ZINC000408573796 558509377 /nfs/dbraw/zinc/50/93/77/558509377.db2.gz KNTVVKFPSZSZDA-UHFFFAOYSA-N 0 0 401.915 5.376 40 0 HKABRN CCOc1cc(C(=S)NCc2cccc(C)c2)ccc1OCc1ccc(F)cc1 ZINC000408573814 557476951 /nfs/dbraw/zinc/47/69/51/557476951.db2.gz KTKNJBUFIXNIFQ-UHFFFAOYSA-N 0 0 409.526 5.577 40 0 HKABRN S=C(c1ccc(OCc2ccccc2Cl)c(Br)c1)N1CCCC1 ZINC000408573842 558509599 /nfs/dbraw/zinc/50/95/99/558509599.db2.gz KYHIZRZUJALMPX-UHFFFAOYSA-N 0 0 410.764 5.453 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(Cl)c1N1CCOCC1 ZINC000408573884 557477640 /nfs/dbraw/zinc/47/76/40/557477640.db2.gz PVOSDVYVUCNIFV-ZRDIBKRKSA-N 0 0 408.885 5.089 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1nc2ccccc2s1 ZINC000408573890 557477537 /nfs/dbraw/zinc/47/75/37/557477537.db2.gz PZAHIRGSGZUQBE-ACCUITESSA-N 0 0 405.504 5.083 40 0 HKABRN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000408573899 558509897 /nfs/dbraw/zinc/50/98/97/558509897.db2.gz DYSUVQJIMFOJCC-INIZCTEOSA-N 0 0 416.974 5.476 40 0 HKABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000408573900 557477638 /nfs/dbraw/zinc/47/76/38/557477638.db2.gz DYSUVQJIMFOJCC-MRXNPFEDSA-N 0 0 416.974 5.476 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)ccc21 ZINC000408573982 557477593 /nfs/dbraw/zinc/47/75/93/557477593.db2.gz GQAUNZRXTBWHJU-NCELDCMTSA-N 0 0 416.524 6.994 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCCC1 ZINC000408573996 557477599 /nfs/dbraw/zinc/47/75/99/557477599.db2.gz GVIRUMCZRZDKLN-PKNBQFBNSA-N 0 0 403.309 5.271 40 0 HKABRN COc1ccc(/C=C(/C(=O)NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000408573998 557477584 /nfs/dbraw/zinc/47/75/84/557477584.db2.gz GVKKNCCCMPKEJG-SZXQPVLSSA-N 0 0 419.524 6.142 40 0 HKABRN COc1cccc(C(=S)N2CCCCC2)c1OCc1ccc(Br)cc1 ZINC000408574211 558510555 /nfs/dbraw/zinc/51/05/55/558510555.db2.gz KZZHZQLNOBWTFI-UHFFFAOYSA-N 0 0 420.372 5.198 40 0 HKABRN Fc1ccc(COc2ccc(C(=S)N3CCN(c4ccc(F)cc4)CC3)cc2)cc1 ZINC000408574237 558511080 /nfs/dbraw/zinc/51/10/80/558511080.db2.gz LDTKMGNWEUFRAO-UHFFFAOYSA-N 0 0 424.516 5.042 40 0 HKABRN S=C(NCCc1ccccc1)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408574249 557478134 /nfs/dbraw/zinc/47/81/34/557478134.db2.gz LGMLAIFLGVLSIF-UHFFFAOYSA-N 0 0 416.373 6.080 40 0 HKABRN S=C(NCc1ccccc1)c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408574256 557478117 /nfs/dbraw/zinc/47/81/17/557478117.db2.gz LIGLHCLMGGNEHN-UHFFFAOYSA-N 0 0 412.352 5.493 40 0 HKABRN Cc1ccc(CNC(=S)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000408574284 557478170 /nfs/dbraw/zinc/47/81/70/557478170.db2.gz LMOMBRWPOKIIRF-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN S=C(NCc1ccccc1)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408574288 558511963 /nfs/dbraw/zinc/51/19/63/558511963.db2.gz LNHDLSHCNCXXNR-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN S=C(NCCc1ccccc1)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408574290 558511824 /nfs/dbraw/zinc/51/18/24/558511824.db2.gz LNMMMABZQSQIMR-UHFFFAOYSA-N 0 0 416.373 6.080 40 0 HKABRN Fc1ccc(CNC(=S)c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000408574292 558511958 /nfs/dbraw/zinc/51/19/58/558511958.db2.gz LNPLDQHAPBWCKS-UHFFFAOYSA-N 0 0 420.336 6.177 40 0 HKABRN Cc1ccccc1CNC(=S)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408574297 558512215 /nfs/dbraw/zinc/51/22/15/558512215.db2.gz LOXGDMQOYAMNOA-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN COc1cc(C(=S)NCCc2ccccc2)ccc1OCc1ccccc1Cl ZINC000408574342 557478090 /nfs/dbraw/zinc/47/80/90/557478090.db2.gz LXWYUSGJAWIMFM-UHFFFAOYSA-N 0 0 411.954 5.435 40 0 HKABRN Fc1ccc(COc2cccc(C(=S)N3CCN(c4ccccc4F)CC3)c2)cc1 ZINC000408574362 557478154 /nfs/dbraw/zinc/47/81/54/557478154.db2.gz LZMYSUGIBNXNMN-UHFFFAOYSA-N 0 0 424.516 5.042 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000408574399 558512514 /nfs/dbraw/zinc/51/25/14/558512514.db2.gz QFQHAKNOVCSGCJ-DHZHZOJOSA-N 0 0 417.317 5.780 40 0 HKABRN COc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)cc1Cl ZINC000408574416 557478113 /nfs/dbraw/zinc/47/81/13/557478113.db2.gz QKSAMZPHOZHRIQ-FMIVXFBMSA-N 0 0 412.898 5.135 40 0 HKABRN O=C(C(=O)N1CCCCC1)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000408574474 557478420 /nfs/dbraw/zinc/47/84/20/557478420.db2.gz UWSGHWUOOKQTSN-UHFFFAOYSA-N 0 0 415.320 5.192 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000408574566 557478349 /nfs/dbraw/zinc/47/83/49/557478349.db2.gz SAJBRDKPZNWANP-SDNWHVSQSA-N 0 0 424.431 6.546 40 0 HKABRN O=C(NC(c1ccccc1)c1ccccc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408574598 558513258 /nfs/dbraw/zinc/51/32/58/558513258.db2.gz ISGZRAUEZPLMSY-LKUDQCMESA-N 0 0 423.943 6.786 40 0 HKABRN COc1cccc(C(=S)NCc2ccccc2)c1OCc1c(F)cccc1Cl ZINC000408574649 558513238 /nfs/dbraw/zinc/51/32/38/558513238.db2.gz MDRBLYHVEXJQSF-UHFFFAOYSA-N 0 0 415.917 5.532 40 0 HKABRN S=C(NCCc1ccccc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408574652 558513499 /nfs/dbraw/zinc/51/34/99/558513499.db2.gz MDSXQESXXSQRFR-UHFFFAOYSA-N 0 0 416.373 6.080 40 0 HKABRN Fc1ccc(CNC(=S)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000408574657 558513509 /nfs/dbraw/zinc/51/35/09/558513509.db2.gz MDUUEGJFUCVIFK-UHFFFAOYSA-N 0 0 420.336 6.177 40 0 HKABRN S=C(c1ccc(OCc2ccccc2Cl)c(Br)c1)N1CCCCC1 ZINC000408574677 557478376 /nfs/dbraw/zinc/47/83/76/557478376.db2.gz MGINQLKMEJOCIU-UHFFFAOYSA-N 0 0 424.791 5.843 40 0 HKABRN CCOc1cc(C(=S)NCc2ccc(F)cc2)ccc1OCc1ccc(F)cc1 ZINC000408574680 558513548 /nfs/dbraw/zinc/51/35/48/558513548.db2.gz MGRGTMFSZMPBBU-UHFFFAOYSA-N 0 0 413.489 5.408 40 0 HKABRN Cc1ccc(CNC(=S)c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408574692 558513757 /nfs/dbraw/zinc/51/37/57/558513757.db2.gz MGSVZJDSXXBNHU-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN CCOc1cc(C(=S)NCc2ccccc2OC)ccc1OCc1ccccc1 ZINC000408574703 558513783 /nfs/dbraw/zinc/51/37/83/558513783.db2.gz MIDXQXMMCHKTGG-UHFFFAOYSA-N 0 0 407.535 5.138 40 0 HKABRN S=C(NCc1ccc2c(c1)OCO2)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000408574721 558514009 /nfs/dbraw/zinc/51/40/09/558514009.db2.gz MLJGNBBYQHRYBY-UHFFFAOYSA-N 0 0 411.910 5.113 40 0 HKABRN S=C(NCc1ccccc1)c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000408574732 558513980 /nfs/dbraw/zinc/51/39/80/558513980.db2.gz MMMAHPRMBKFZQP-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(-c2ccccc2)cc1 ZINC000408574746 558513973 /nfs/dbraw/zinc/51/39/73/558513973.db2.gz KUYGFDFNQZXEAB-UHFFFAOYSA-N 0 0 407.557 7.074 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 ZINC000408574775 558514306 /nfs/dbraw/zinc/51/43/06/558514306.db2.gz LCGRWEYAYJGTLP-UHFFFAOYSA-N 0 0 419.546 6.188 40 0 HKABRN Cc1cccc(CNC(=S)c2cccc(OCc3c(Cl)cccc3Cl)c2)c1 ZINC000408574778 558514425 /nfs/dbraw/zinc/51/44/25/558514425.db2.gz MROFDKXXPJZPDT-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN CCOC(=O)c1c(NC(=O)/C(=C/c2ccccc2)c2ccccc2)sc2c1CCC2 ZINC000408574815 558514310 /nfs/dbraw/zinc/51/43/10/558514310.db2.gz LKNOMBCHQUYXQT-CAPFRKAQSA-N 0 0 417.530 5.593 40 0 HKABRN S=C(NCc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408574848 558514525 /nfs/dbraw/zinc/51/45/25/558514525.db2.gz MXXQALJRQIVTSR-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN Cc1ccccc1CNC(=S)c1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000408574924 558508380 /nfs/dbraw/zinc/50/83/80/558508380.db2.gz NBQWSHBPLPQGEE-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN S=C(NCCc1ccccc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408574959 557478558 /nfs/dbraw/zinc/47/85/58/557478558.db2.gz NFLTUQIBMXFJLY-UHFFFAOYSA-N 0 0 416.373 6.080 40 0 HKABRN Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3)oc2c1 ZINC000408575213 558508412 /nfs/dbraw/zinc/50/84/12/558508412.db2.gz SXQSDQHQIMVFPO-DTQAZKPQSA-N 0 0 420.468 6.715 40 0 HKABRN COc1cccc(C(=S)N2CCCCC2)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408575248 558508334 /nfs/dbraw/zinc/50/83/34/558508334.db2.gz NJXWLAUUOFVTRQ-UHFFFAOYSA-N 0 0 410.366 5.742 40 0 HKABRN S=C(NCc1ccc2c(c1)OCO2)c1ccc(OCc2ccccc2Cl)cc1 ZINC000408575266 558508417 /nfs/dbraw/zinc/50/84/17/558508417.db2.gz NNTGYMDULRPSKT-UHFFFAOYSA-N 0 0 411.910 5.113 40 0 HKABRN COc1ccc(/C=C(/C(=O)Nc2ccccc2Oc2ccccc2)c2ccccc2)cc1 ZINC000408575299 557478826 /nfs/dbraw/zinc/47/88/26/557478826.db2.gz JEOGXBAQJGZIGA-LKUDQCMESA-N 0 0 421.496 6.667 40 0 HKABRN COc1cccc(C(=S)NCc2ccco2)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408575308 557478876 /nfs/dbraw/zinc/47/88/76/557478876.db2.gz NSDMJQNSXPBZNA-UHFFFAOYSA-N 0 0 422.333 5.639 40 0 HKABRN S=C(NCc1ccccc1)c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408575310 557478829 /nfs/dbraw/zinc/47/88/29/557478829.db2.gz NSITXJZZCLEXCE-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN S=C(NCCc1ccccc1)c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408575316 558508389 /nfs/dbraw/zinc/50/83/89/558508389.db2.gz NTCXVIDYKDNFOL-UHFFFAOYSA-N 0 0 416.373 6.080 40 0 HKABRN S=C(NCc1ccccc1)c1cc(Br)ccc1OCc1ccccc1 ZINC000408575322 558508384 /nfs/dbraw/zinc/50/83/84/558508384.db2.gz NTSQOOBPKAQAHM-UHFFFAOYSA-N 0 0 412.352 5.493 40 0 HKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3c4nsnc4ccc3C)o2)cc1Cl ZINC000408575325 557478865 /nfs/dbraw/zinc/47/88/65/557478865.db2.gz UJJKTEKWOUSEEJ-JXMROGBWSA-N 0 0 409.898 5.873 40 0 HKABRN CCOc1cc(C(=S)NCc2ccc(C)cc2)ccc1OCc1ccc(F)cc1 ZINC000408575344 558508421 /nfs/dbraw/zinc/50/84/21/558508421.db2.gz NWFPLJUUUSEGHJ-UHFFFAOYSA-N 0 0 409.526 5.577 40 0 HKABRN COc1cccc(C(=S)NCc2ccco2)c1OCc1c(F)cccc1Cl ZINC000408575348 557478862 /nfs/dbraw/zinc/47/88/62/557478862.db2.gz NXZQMGRQNRTVRG-UHFFFAOYSA-N 0 0 405.878 5.125 40 0 HKABRN COc1cc(C(=S)NCc2ccco2)ccc1OCc1c(Cl)cccc1Cl ZINC000408575351 557478895 /nfs/dbraw/zinc/47/88/95/557478895.db2.gz NYAYGYDFHUQGJQ-UHFFFAOYSA-N 0 0 422.333 5.639 40 0 HKABRN S=C(c1cc(Br)ccc1OCc1ccccc1Cl)N1CCCCC1 ZINC000408575356 558508734 /nfs/dbraw/zinc/50/87/34/558508734.db2.gz NZIRECMSMBOZAG-UHFFFAOYSA-N 0 0 424.791 5.843 40 0 HKABRN COc1cc(C(=S)NCc2ccco2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408575383 558508782 /nfs/dbraw/zinc/50/87/82/558508782.db2.gz OCKLHGBSHBEFQW-UHFFFAOYSA-N 0 0 422.333 5.639 40 0 HKABRN Cc1ccccc1CNC(=S)c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408575388 558509297 /nfs/dbraw/zinc/50/92/97/558509297.db2.gz OCQSQWZHILPAEB-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN S=C(NCc1ccccc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408575444 557478836 /nfs/dbraw/zinc/47/88/36/557478836.db2.gz OHLLSKTYUCEMQX-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN CCc1ccc(CNC(=S)c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000408575446 558517368 /nfs/dbraw/zinc/51/73/68/558517368.db2.gz OIOSUCDQYWBHSY-UHFFFAOYSA-N 0 0 409.526 5.441 40 0 HKABRN Fc1ccc(COc2ccc(C(=S)N3CCN(c4ccccc4F)CC3)cc2)cc1 ZINC000408575448 558517565 /nfs/dbraw/zinc/51/75/65/558517565.db2.gz OIQIYNFFJNXYCQ-UHFFFAOYSA-N 0 0 424.516 5.042 40 0 HKABRN S=C(NCc1ccccc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408575471 558517461 /nfs/dbraw/zinc/51/74/61/558517461.db2.gz OKZUNGVNGQCQQK-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN CCOc1cc(C(=S)NCCc2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000408575473 558517602 /nfs/dbraw/zinc/51/76/02/558517602.db2.gz OLOGWJJMLIISIR-UHFFFAOYSA-N 0 0 409.526 5.311 40 0 HKABRN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000408575481 558517535 /nfs/dbraw/zinc/51/75/35/558517535.db2.gz LWSQHFNFQSZQLI-LFIBNONCSA-N 0 0 417.936 6.520 40 0 HKABRN Cc1cccc(N2CCN(C(=O)c3ccc(CSc4ccccc4)cc3)CC2)c1C ZINC000408575554 558517499 /nfs/dbraw/zinc/51/74/99/558517499.db2.gz NWYLYMCOKYCHBX-UHFFFAOYSA-N 0 0 416.590 5.558 40 0 HKABRN O=C(CSCc1c(F)cccc1Cl)Nc1ccccc1Oc1ccccc1 ZINC000408575622 557479120 /nfs/dbraw/zinc/47/91/20/557479120.db2.gz OGGDXRZKRVJXGA-UHFFFAOYSA-N 0 0 401.890 6.143 40 0 HKABRN COc1ccc(CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1OC ZINC000408575791 557479160 /nfs/dbraw/zinc/47/91/60/557479160.db2.gz RLBRRMQPLNOAMA-UHFFFAOYSA-N 0 0 405.538 5.353 40 0 HKABRN COc1ccc(CCNC(=S)c2ccccc2OCc2ccccc2Cl)cc1 ZINC000408575964 558517937 /nfs/dbraw/zinc/51/79/37/558517937.db2.gz PAMHSGUYWSQGQX-UHFFFAOYSA-N 0 0 411.954 5.435 40 0 HKABRN COc1cc(C(=S)NCc2ccc(C)cc2)ccc1OCc1ccccc1Cl ZINC000408575967 558517933 /nfs/dbraw/zinc/51/79/33/558517933.db2.gz PAYKCDGKAFZQHA-UHFFFAOYSA-N 0 0 411.954 5.701 40 0 HKABRN S=C(c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)N1CCCC1 ZINC000408575981 558517904 /nfs/dbraw/zinc/51/79/04/558517904.db2.gz PDLKRIIWYSHZMI-UHFFFAOYSA-N 0 0 400.758 5.997 40 0 HKABRN Cc1ccccc1CNC(=S)c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408575994 558517807 /nfs/dbraw/zinc/51/78/07/558517807.db2.gz PEJXMMNUGDOOSL-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN CCOc1cc(C(=S)NCc2ccccc2Cl)ccc1OCc1ccccc1 ZINC000408575996 558517812 /nfs/dbraw/zinc/51/78/12/558517812.db2.gz PELRXXJIFNRSOA-UHFFFAOYSA-N 0 0 411.954 5.783 40 0 HKABRN S=C(NCc1ccccc1Cl)c1ccccc1OCc1ccc(Cl)cc1 ZINC000408576058 558517859 /nfs/dbraw/zinc/51/78/59/558517859.db2.gz PLJPOKXEOIFGGX-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN Fc1ccc(COc2ccc(C(=S)N3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000408576095 558517948 /nfs/dbraw/zinc/51/79/48/558517948.db2.gz PRZGFFWPFVLJTQ-UHFFFAOYSA-N 0 0 419.565 6.035 40 0 HKABRN COc1cc(C(=S)NCc2ccccc2C)ccc1OCc1ccc(Cl)cc1 ZINC000408576104 558517918 /nfs/dbraw/zinc/51/79/18/558517918.db2.gz PSGRLRQKZMHCNV-UHFFFAOYSA-N 0 0 411.954 5.701 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000408576191 557479576 /nfs/dbraw/zinc/47/95/76/557479576.db2.gz VQTMLUDAFAICQO-FBMGVBCBSA-N 0 0 422.484 5.780 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NCc1ccc(-c2nc3ccccc3o2)cc1 ZINC000408576249 558518169 /nfs/dbraw/zinc/51/81/69/558518169.db2.gz WMXAKFOOQGQWAN-BMRADRMJSA-N 0 0 420.468 6.084 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccccc1-c1nc2ccccc2s1 ZINC000408576256 558518083 /nfs/dbraw/zinc/51/80/83/558518083.db2.gz WPDKREJLQFQMBJ-BMRADRMJSA-N 0 0 422.509 6.875 40 0 HKABRN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000408576380 557479638 /nfs/dbraw/zinc/47/96/38/557479638.db2.gz SXPGITYOKWDUKK-ABVOBTCJSA-N 0 0 405.607 6.582 40 0 HKABRN Cc1ccc(S[C@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000408576385 558514682 /nfs/dbraw/zinc/51/46/82/558514682.db2.gz SXPGITYOKWDUKK-DKERFCRFSA-N 0 0 405.607 6.582 40 0 HKABRN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c1 ZINC000408576409 557479507 /nfs/dbraw/zinc/47/95/07/557479507.db2.gz XWRLSLIUIHQPBC-UKYUDJEDSA-N 0 0 420.534 5.692 40 0 HKABRN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c1 ZINC000408576413 558514687 /nfs/dbraw/zinc/51/46/87/558514687.db2.gz XWRLSLIUIHQPBC-WSYSLRRZSA-N 0 0 420.534 5.692 40 0 HKABRN COC(=O)c1c(NC(=O)c2ccc(CSc3ccccc3)cc2)sc2c1CCC2 ZINC000408576417 557479554 /nfs/dbraw/zinc/47/95/54/557479554.db2.gz UNJMJFVBZNMGKZ-UHFFFAOYSA-N 0 0 423.559 5.568 40 0 HKABRN CC(C)Oc1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000408576451 557479662 /nfs/dbraw/zinc/47/96/62/557479662.db2.gz UWZWJZLLJNURJF-UHFFFAOYSA-N 0 0 411.954 6.672 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000408576461 558514639 /nfs/dbraw/zinc/51/46/39/558514639.db2.gz VGYZVUFBIJBCEE-ZRDIBKRKSA-N 0 0 417.336 5.662 40 0 HKABRN Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)c1 ZINC000408576479 558514652 /nfs/dbraw/zinc/51/46/52/558514652.db2.gz VYYDPLVIERLZFI-UHFFFAOYSA-N 0 0 416.502 5.201 40 0 HKABRN S=C(NCc1ccco1)c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408576569 557479810 /nfs/dbraw/zinc/47/98/10/557479810.db2.gz PXCCMJHKJVQSFQ-UHFFFAOYSA-N 0 0 402.313 5.086 40 0 HKABRN Cc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408576573 557479817 /nfs/dbraw/zinc/47/98/17/557479817.db2.gz PXJOHORKAYBBIM-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN Fc1ccc(CNC(=S)c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000408576599 557479777 /nfs/dbraw/zinc/47/97/77/557479777.db2.gz PZGNATBWAJKNNR-UHFFFAOYSA-N 0 0 420.336 6.177 40 0 HKABRN S=C(NCc1ccccc1Cl)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000408576606 558514569 /nfs/dbraw/zinc/51/45/69/558514569.db2.gz PZQGJYLGKDLMDY-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN Cc1cccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1 ZINC000408576630 558514521 /nfs/dbraw/zinc/51/45/21/558514521.db2.gz QDYYMZRZQBDHNK-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN COc1cc(C(=S)NCc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC000408576632 558514546 /nfs/dbraw/zinc/51/45/46/558514546.db2.gz QETIVIKXTHQSLN-UHFFFAOYSA-N 0 0 411.954 5.701 40 0 HKABRN S=C(NCc1ccc2c(c1)OCO2)c1ccccc1OCc1ccc(Cl)cc1 ZINC000408576661 558514671 /nfs/dbraw/zinc/51/46/71/558514671.db2.gz QHYYFNSZBHGJRH-UHFFFAOYSA-N 0 0 411.910 5.113 40 0 HKABRN CCOc1cc(C(=S)NCc2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000408576689 558514816 /nfs/dbraw/zinc/51/48/16/558514816.db2.gz QJSYZGLKYUAFDE-UHFFFAOYSA-N 0 0 411.954 5.783 40 0 HKABRN Cc1cccc(CNC(=S)c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 ZINC000408576735 558514864 /nfs/dbraw/zinc/51/48/64/558514864.db2.gz QSKKGQHMHVMGAE-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2)cc1 ZINC000408576934 558514900 /nfs/dbraw/zinc/51/49/00/558514900.db2.gz HKAGSGZXHPPZEX-UHFFFAOYSA-N 0 0 402.346 6.846 40 0 HKABRN COc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1c(Cl)cccc1Cl ZINC000408577057 558514797 /nfs/dbraw/zinc/51/47/97/558514797.db2.gz RCQDRJNKSDAZKV-UHFFFAOYSA-N 0 0 424.393 5.988 40 0 HKABRN COc1cccc(C(=S)N2CCC(C)CC2)c1OCc1c(F)cccc1Cl ZINC000408577061 558514934 /nfs/dbraw/zinc/51/49/34/558514934.db2.gz RDIZHWDKPAAIHS-UHFFFAOYSA-N 0 0 407.938 5.474 40 0 HKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000408577095 557480067 /nfs/dbraw/zinc/48/00/67/557480067.db2.gz ZZEGXLNTIYADDY-NTCAYCPXSA-N 0 0 424.431 6.546 40 0 HKABRN Cc1ccccc1CNC(=S)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408577130 558514787 /nfs/dbraw/zinc/51/47/87/558514787.db2.gz RIKFZJVDVWCMLP-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN Fc1cccc(Cl)c1COc1ccc(C(=S)NCc2ccc(Cl)cc2)cc1 ZINC000408577151 558514916 /nfs/dbraw/zinc/51/49/16/558514916.db2.gz RLZOHQZOJUWOTA-UHFFFAOYSA-N 0 0 420.336 6.177 40 0 HKABRN O=C(Nc1ccccc1C(=O)N1CCCCCC1)/C(=C/c1ccccc1)c1ccccc1 ZINC000408577187 558514885 /nfs/dbraw/zinc/51/48/85/558514885.db2.gz XBDLYQKPIHUNLB-NJNXFGOHSA-N 0 0 424.544 5.882 40 0 HKABRN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000408577213 558514897 /nfs/dbraw/zinc/51/48/97/558514897.db2.gz XGHOGSMRHFVLLO-SAPNQHFASA-N 0 0 404.554 5.652 40 0 HKABRN COc1cccc(CNC(=S)c2ccc(OCc3c(F)cccc3Cl)cc2)c1 ZINC000408577260 557480356 /nfs/dbraw/zinc/48/03/56/557480356.db2.gz SDCYXANVSCFAEN-UHFFFAOYSA-N 0 0 415.917 5.532 40 0 HKABRN S=C(NCc1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408577263 557480317 /nfs/dbraw/zinc/48/03/17/557480317.db2.gz SDLZPRBMLHGWCO-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN CCOc1cc(C(=S)N2CCCCC2)ccc1OCc1c(Cl)cccc1Cl ZINC000408577296 557480300 /nfs/dbraw/zinc/48/03/00/557480300.db2.gz SGFDNANJZGKHBO-UHFFFAOYSA-N 0 0 424.393 6.133 40 0 HKABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(CSc2ccccc2)cc1 ZINC000408577314 557480280 /nfs/dbraw/zinc/48/02/80/557480280.db2.gz YJDCKHDIWULZEQ-UHFFFAOYSA-N 0 0 421.871 6.903 40 0 HKABRN C[C@H](SCc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408577335 558514821 /nfs/dbraw/zinc/51/48/21/558514821.db2.gz YYBUUVCPQRXZJG-INIZCTEOSA-N 0 0 409.938 5.831 40 0 HKABRN C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408577336 557480253 /nfs/dbraw/zinc/48/02/53/557480253.db2.gz YYBUUVCPQRXZJG-MRXNPFEDSA-N 0 0 409.938 5.831 40 0 HKABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000408577337 557480310 /nfs/dbraw/zinc/48/03/10/557480310.db2.gz ZBDQRQJKKYTMFS-UHFFFAOYSA-N 0 0 418.562 5.760 40 0 HKABRN CCOc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1ccccc1 ZINC000408577439 557480539 /nfs/dbraw/zinc/48/05/39/557480539.db2.gz SODQZGBNHHXBQY-UHFFFAOYSA-N 0 0 403.975 5.725 40 0 HKABRN COc1cc(C(=S)NCc2ccccc2Cl)ccc1OCc1ccc(F)cc1 ZINC000408577454 557480568 /nfs/dbraw/zinc/48/05/68/557480568.db2.gz SPMQTOLYBRVBFA-UHFFFAOYSA-N 0 0 415.917 5.532 40 0 HKABRN Cc1cccc(CNC(=S)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000408577512 558515139 /nfs/dbraw/zinc/51/51/39/558515139.db2.gz SWEDBYNMMXYKQZ-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN COc1cc(C(=S)N2CCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408577611 558515162 /nfs/dbraw/zinc/51/51/62/558515162.db2.gz UALWXGJXYAXYBC-UHFFFAOYSA-N 0 0 410.366 5.742 40 0 HKABRN CCOc1cc(C(=S)NCc2ccccc2)ccc1OCc1ccccc1Cl ZINC000408577665 558515021 /nfs/dbraw/zinc/51/50/21/558515021.db2.gz UESWVZJETKVMGB-UHFFFAOYSA-N 0 0 411.954 5.783 40 0 HKABRN O=C(CSCc1ccccc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000408577698 557481021 /nfs/dbraw/zinc/48/10/21/557481021.db2.gz QTJSCMPGSMCHGR-UHFFFAOYSA-N 0 0 416.974 5.228 40 0 HKABRN Fc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000408577699 557481049 /nfs/dbraw/zinc/48/10/49/557481049.db2.gz UKGUFVXIRVLAHM-UHFFFAOYSA-N 0 0 420.336 6.177 40 0 HKABRN COc1cc(C(=S)NCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1 ZINC000408577821 558515136 /nfs/dbraw/zinc/51/51/36/558515136.db2.gz UNLWARMMYRVZOV-UHFFFAOYSA-N 0 0 415.917 5.532 40 0 HKABRN S=C(NCc1ccc(Cl)cc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000408577853 558515076 /nfs/dbraw/zinc/51/50/76/558515076.db2.gz UVZMMFSKCYSMKI-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN Fc1ccc(CNC(=S)c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 ZINC000408577861 558515118 /nfs/dbraw/zinc/51/51/18/558515118.db2.gz VADSLXJCBYPAHI-UHFFFAOYSA-N 0 0 420.336 6.177 40 0 HKABRN S=C(NCCc1ccccc1)c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000408577875 558515114 /nfs/dbraw/zinc/51/51/14/558515114.db2.gz VEASEYHGBPYFLD-UHFFFAOYSA-N 0 0 416.373 6.080 40 0 HKABRN S=C(NCc1ccco1)c1cc(Br)ccc1OCc1ccccc1 ZINC000408577878 558515080 /nfs/dbraw/zinc/51/50/80/558515080.db2.gz VFPHDNFEJGEBIP-UHFFFAOYSA-N 0 0 402.313 5.086 40 0 HKABRN S=C(NCCc1ccccc1)c1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000408577885 558515015 /nfs/dbraw/zinc/51/50/15/558515015.db2.gz VJQJXVUTIIPTAH-UHFFFAOYSA-N 0 0 416.373 6.080 40 0 HKABRN CCOc1cc(C(=S)NCc2ccc(CC)cc2)ccc1OCc1ccc(F)cc1 ZINC000408577893 558515054 /nfs/dbraw/zinc/51/50/54/558515054.db2.gz VMCWVKMKDUBPDE-UHFFFAOYSA-N 0 0 423.553 5.831 40 0 HKABRN COc1cc(C(=S)NCCc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000408577910 558515029 /nfs/dbraw/zinc/51/50/29/558515029.db2.gz VQUAENZXWPIWHP-UHFFFAOYSA-N 0 0 411.954 5.435 40 0 HKABRN CCc1ccc(CNC(=S)c2cccc(OC)c2OCc2ccc(F)cc2)cc1 ZINC000408578123 557481422 /nfs/dbraw/zinc/48/14/22/557481422.db2.gz VTOYGEPRYQPHDX-UHFFFAOYSA-N 0 0 409.526 5.441 40 0 HKABRN COc1cccc(C(=S)NCc2cccc(C)c2)c1OCc1ccccc1Cl ZINC000408578159 557481396 /nfs/dbraw/zinc/48/13/96/557481396.db2.gz WGTPODYCACOUPZ-UHFFFAOYSA-N 0 0 411.954 5.701 40 0 HKABRN Fc1cccc(Cl)c1COc1ccc(Cl)cc1C(=S)NCc1ccccc1 ZINC000408578168 557481446 /nfs/dbraw/zinc/48/14/46/557481446.db2.gz WJSJHURPINWZBH-UHFFFAOYSA-N 0 0 420.336 6.177 40 0 HKABRN Cc1ccc(CNC(=S)c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000408578185 558515056 /nfs/dbraw/zinc/51/50/56/558515056.db2.gz WORNLVWXWVZSEF-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN COc1cccc(C(=S)NCc2ccc(F)cc2)c1OCc1ccccc1Cl ZINC000408578186 557481514 /nfs/dbraw/zinc/48/15/14/557481514.db2.gz WOSPEFTYUWCCAC-UHFFFAOYSA-N 0 0 415.917 5.532 40 0 HKABRN S=C(c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)N1CCCCC1 ZINC000408578190 558515144 /nfs/dbraw/zinc/51/51/44/558515144.db2.gz WPIMUFROJUAHDM-UHFFFAOYSA-N 0 0 414.785 6.387 40 0 HKABRN CCOc1cc(C(=S)NCc2cccc(OC)c2)ccc1OCc1ccccc1 ZINC000408578191 558515082 /nfs/dbraw/zinc/51/50/82/558515082.db2.gz WPVVAYXSVYIBEL-UHFFFAOYSA-N 0 0 407.535 5.138 40 0 HKABRN S=C(NCc1ccc(Cl)cc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000408578193 557481409 /nfs/dbraw/zinc/48/14/09/557481409.db2.gz WQDRRPSLKAEFQL-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN Cc1ccc(CNC(=S)c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000408578195 558515154 /nfs/dbraw/zinc/51/51/54/558515154.db2.gz WQIMJLBERBDPKE-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN Fc1ccc(COc2cccc(C(=S)N3CCN(c4ccc(F)cc4)CC3)c2)cc1 ZINC000408578204 557481529 /nfs/dbraw/zinc/48/15/29/557481529.db2.gz WTFGNRXKYFNVKQ-UHFFFAOYSA-N 0 0 424.516 5.042 40 0 HKABRN COc1ccccc1CNC(=S)c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000408578215 557481651 /nfs/dbraw/zinc/48/16/51/557481651.db2.gz WWGYVHRWDQKGMP-UHFFFAOYSA-N 0 0 415.917 5.532 40 0 HKABRN S=C(c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000408578292 558515429 /nfs/dbraw/zinc/51/54/29/558515429.db2.gz XGQICGRHCNNBIC-UHFFFAOYSA-N 0 0 400.758 5.997 40 0 HKABRN COc1cccc(C(=S)NCc2ccccc2Cl)c1OCc1ccc(F)cc1 ZINC000408578297 558515372 /nfs/dbraw/zinc/51/53/72/558515372.db2.gz XHEDSXZJAIZAIV-UHFFFAOYSA-N 0 0 415.917 5.532 40 0 HKABRN COc1cc(C(=S)NCc2ccco2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408578324 558515425 /nfs/dbraw/zinc/51/54/25/558515425.db2.gz XMTKZVRZTZPVJI-UHFFFAOYSA-N 0 0 422.333 5.639 40 0 HKABRN Fc1ccc(CNC(=S)c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000408578362 558515328 /nfs/dbraw/zinc/51/53/28/558515328.db2.gz XTMBZIISZVRAAS-UHFFFAOYSA-N 0 0 420.336 6.177 40 0 HKABRN S=C(NCc1ccccc1Cl)c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408578367 558515427 /nfs/dbraw/zinc/51/54/27/558515427.db2.gz XUNHSEQGWIQXMM-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN COc1cc(C(=S)NCc2ccc(F)cc2)ccc1OCc1ccccc1Cl ZINC000408578399 558515324 /nfs/dbraw/zinc/51/53/24/558515324.db2.gz YAPAVMBHBFDOFF-UHFFFAOYSA-N 0 0 415.917 5.532 40 0 HKABRN Fc1cccc(Cl)c1COc1ccc(Cl)cc1C(=S)NCc1ccco1 ZINC000408578402 558515334 /nfs/dbraw/zinc/51/53/34/558515334.db2.gz YCPWPSUQAUMQCV-UHFFFAOYSA-N 0 0 410.297 5.770 40 0 HKABRN S=C(NCc1ccccc1Cl)c1ccccc1OCc1ccccc1Cl ZINC000408578409 558515416 /nfs/dbraw/zinc/51/54/16/558515416.db2.gz YDGVQLBDNMMCJA-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN COc1cccc(C(=S)NCCc2ccccc2)c1OCc1ccccc1Cl ZINC000408578551 558515354 /nfs/dbraw/zinc/51/53/54/558515354.db2.gz YQXSUJQHSMUICX-UHFFFAOYSA-N 0 0 411.954 5.435 40 0 HKABRN CCOc1cc(C(=S)NCc2ccco2)ccc1OCc1ccc(Cl)cc1 ZINC000408578552 558515344 /nfs/dbraw/zinc/51/53/44/558515344.db2.gz YQZOAGOFEVHGOS-UHFFFAOYSA-N 0 0 401.915 5.376 40 0 HKABRN Cc1cccc(CNC(=S)c2ccccc2OCc2ccc(Cl)cc2Cl)c1 ZINC000408578571 558515356 /nfs/dbraw/zinc/51/53/56/558515356.db2.gz YVWPOXWEHZJTGQ-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN COc1cc(C(=S)NCc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 ZINC000408578575 558515366 /nfs/dbraw/zinc/51/53/66/558515366.db2.gz YWOQWYVZSXCAOY-UHFFFAOYSA-N 0 0 415.917 5.532 40 0 HKABRN CCOc1cc(C(=S)N2CCCC2)ccc1OCc1c(Cl)cccc1Cl ZINC000408578600 558515319 /nfs/dbraw/zinc/51/53/19/558515319.db2.gz ZDHPBGDGIMQCAJ-UHFFFAOYSA-N 0 0 410.366 5.742 40 0 HKABRN CCc1ccc(CNC(=S)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 ZINC000408578614 558515482 /nfs/dbraw/zinc/51/54/82/558515482.db2.gz ZGXGEFIONCELJE-UHFFFAOYSA-N 0 0 413.945 6.086 40 0 HKABRN S=C(NCc1ccc2c(c1)OCO2)c1ccccc1OCc1ccccc1Cl ZINC000408578619 558515541 /nfs/dbraw/zinc/51/55/41/558515541.db2.gz ZHGHNVXVVLWSJQ-UHFFFAOYSA-N 0 0 411.910 5.113 40 0 HKABRN CCOc1cc(C(=S)NCc2ccc(OC)cc2)ccc1OCc1ccccc1 ZINC000408578623 558515568 /nfs/dbraw/zinc/51/55/68/558515568.db2.gz ZIQZNZJNDKIVCY-UHFFFAOYSA-N 0 0 407.535 5.138 40 0 HKABRN COc1cccc(C(=S)N2CCC(C)CC2)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408578627 558515543 /nfs/dbraw/zinc/51/55/43/558515543.db2.gz ZIWSTOFGDHXMHK-UHFFFAOYSA-N 0 0 424.393 5.988 40 0 HKABRN COc1cc(C(=S)N2CCCCC2)ccc1OCc1c(Cl)cccc1Cl ZINC000408578633 558515471 /nfs/dbraw/zinc/51/54/71/558515471.db2.gz ZJSGVCMMOQIXOC-UHFFFAOYSA-N 0 0 410.366 5.742 40 0 HKABRN CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000408578789 558515486 /nfs/dbraw/zinc/51/54/86/558515486.db2.gz AXEZBHBAYXANCR-UHFFFAOYSA-N 0 0 401.329 5.696 40 0 HKABRN COc1cccc(C(=S)N2CCC(C)CC2)c1OCc1c(Cl)cccc1Cl ZINC000408578824 557472648 /nfs/dbraw/zinc/47/26/48/557472648.db2.gz ZLZDFOCTCMIWMQ-UHFFFAOYSA-N 0 0 424.393 5.988 40 0 HKABRN S=C(c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC000408578825 557472590 /nfs/dbraw/zinc/47/25/90/557472590.db2.gz ZMBOQFWPHBFOHI-UHFFFAOYSA-N 0 0 416.757 5.234 40 0 HKABRN Cc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000408578829 558515505 /nfs/dbraw/zinc/51/55/05/558515505.db2.gz ZNEHOSOZJWLOPM-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN CC1CCN(C(=S)c2cc(Cl)ccc2OCc2c(F)cccc2Cl)CC1 ZINC000408578841 558515508 /nfs/dbraw/zinc/51/55/08/558515508.db2.gz ZQGGERCEVASDHR-UHFFFAOYSA-N 0 0 412.357 6.119 40 0 HKABRN COc1cc(C(=S)NCc2cccc(C)c2)ccc1OCc1ccccc1Cl ZINC000408578844 557472644 /nfs/dbraw/zinc/47/26/44/557472644.db2.gz ZQIQLDHFQOOAPE-UHFFFAOYSA-N 0 0 411.954 5.701 40 0 HKABRN Cc1ccccc1CNC(=S)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408578849 557472762 /nfs/dbraw/zinc/47/27/62/557472762.db2.gz ZSQHEHCLTPTHQJ-UHFFFAOYSA-N 0 0 416.373 6.346 40 0 HKABRN S=C(NCc1ccc(Cl)cc1)c1ccccc1OCc1ccc(Cl)cc1 ZINC000408578851 557472786 /nfs/dbraw/zinc/47/27/86/557472786.db2.gz ZTLOSJUHNWDOJC-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN S=C(c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)N1CCOCC1 ZINC000408578855 558515555 /nfs/dbraw/zinc/51/55/55/558515555.db2.gz ZWITWYIYWHPHIG-UHFFFAOYSA-N 0 0 416.757 5.234 40 0 HKABRN S=C(NCc1ccccc1Cl)c1ccc(OCc2ccccc2Cl)cc1 ZINC000408578864 558515493 /nfs/dbraw/zinc/51/54/93/558515493.db2.gz ZZGQXFMAGVNWEH-UHFFFAOYSA-N 0 0 402.346 6.038 40 0 HKABRN CCOC(=O)c1c(NC(=O)/C(=C/c2ccco2)c2ccccc2)sc2c1CCC2 ZINC000408578894 558515577 /nfs/dbraw/zinc/51/55/77/558515577.db2.gz WLQHYGFPYGPRGM-NBVRZTHBSA-N 0 0 407.491 5.186 40 0 HKABRN Cc1nc(-c2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)c(C)s1 ZINC000408578923 557472861 /nfs/dbraw/zinc/47/28/61/557472861.db2.gz BUXXNJVUYGVPCS-UHFFFAOYSA-N 0 0 400.503 6.472 40 0 HKABRN Cc1nc(-c2ccc(C(=O)Nc3ccc(Br)cc3C)cc2)c(C)s1 ZINC000408579016 558515551 /nfs/dbraw/zinc/51/55/51/558515551.db2.gz CISPQTRHUMEQPS-UHFFFAOYSA-N 0 0 401.329 5.750 40 0 HKABRN CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccccc2Br)cc1 ZINC000408579025 557473051 /nfs/dbraw/zinc/47/30/51/557473051.db2.gz CKIHNXJXBJCEBQ-UHFFFAOYSA-N 0 0 401.329 5.696 40 0 HKABRN CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(Br)cc2C)cc1 ZINC000408579237 558515868 /nfs/dbraw/zinc/51/58/68/558515868.db2.gz FASAXVPLLOJZHH-UHFFFAOYSA-N 0 0 415.356 6.004 40 0 HKABRN CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000408579555 558515749 /nfs/dbraw/zinc/51/57/49/558515749.db2.gz HUNBAMMGKGCESX-UHFFFAOYSA-N 0 0 414.530 6.726 40 0 HKABRN COc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)c(Cl)c1Cl ZINC000408579637 558515806 /nfs/dbraw/zinc/51/58/06/558515806.db2.gz IXHDZFYYGWHCBM-UHFFFAOYSA-N 0 0 401.098 5.110 40 0 HKABRN O=C(Nc1c(Cl)cccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000408579882 557474705 /nfs/dbraw/zinc/47/47/05/557474705.db2.gz LAQPJVPRHFIBBP-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN Cc1nc(-c2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)cc2)c(C)s1 ZINC000408580049 558515812 /nfs/dbraw/zinc/51/58/12/558515812.db2.gz MTEJOMQXYLTXIH-UHFFFAOYSA-N 0 0 421.747 6.095 40 0 HKABRN Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 ZINC000408581141 558516082 /nfs/dbraw/zinc/51/60/82/558516082.db2.gz GPCMDLMUNKLTEC-UHFFFAOYSA-N 0 0 403.429 5.202 40 0 HKABRN Cc1nc(-c2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)c(C)s1 ZINC000408581218 557485857 /nfs/dbraw/zinc/48/58/57/557485857.db2.gz VCWOLGROLFPSDW-UHFFFAOYSA-N 0 0 400.503 6.472 40 0 HKABRN O=C(Nc1c(Cl)cccc1Cl)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408581378 558516061 /nfs/dbraw/zinc/51/60/61/558516061.db2.gz SQPQFYFCFBRDJU-DTQAZKPQSA-N 0 0 402.708 6.826 40 0 HKABRN CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000408581530 558516101 /nfs/dbraw/zinc/51/61/01/558516101.db2.gz XQODMXNXRMKYRA-UHFFFAOYSA-N 0 0 414.530 6.726 40 0 HKABRN O=c1[nH]c(CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)nc2ccccc12 ZINC000408581590 558516208 /nfs/dbraw/zinc/51/62/08/558516208.db2.gz JEXWWVBIKFQSKQ-UHFFFAOYSA-N 0 0 414.412 5.104 40 0 HKABRN CCc1sc(C)nc1-c1ccc(C(=O)Nc2cccc(Br)c2)cc1 ZINC000408581629 557485927 /nfs/dbraw/zinc/48/59/27/557485927.db2.gz XZZRYUNATBIJLT-UHFFFAOYSA-N 0 0 401.329 5.696 40 0 HKABRN Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cccc(C)c3)n2)cc1 ZINC000408582051 558516303 /nfs/dbraw/zinc/51/63/03/558516303.db2.gz LLJCOMJYTMKZQW-UHFFFAOYSA-N 0 0 417.456 5.510 40 0 HKABRN Cc1cc(-c2ccccc2)nc(SCc2nc(=O)c3c4c(sc3[nH]2)CCCC4)n1 ZINC000408582168 557486246 /nfs/dbraw/zinc/48/62/46/557486246.db2.gz MHNBCHIFZFGNSN-UHFFFAOYSA-N 0 0 420.563 5.333 40 0 HKABRN O=C(Nc1c(Cl)cccc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000408582786 558516509 /nfs/dbraw/zinc/51/65/09/558516509.db2.gz XSSKDLGYAZKVOZ-UHFFFAOYSA-N 0 0 422.764 7.191 40 0 HKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)N1CCCCCC1 ZINC000408583542 558517127 /nfs/dbraw/zinc/51/71/27/558517127.db2.gz IFBCMEQAYFJAJN-UHFFFAOYSA-N 0 0 423.538 5.049 40 0 HKABRN O=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408584081 558517337 /nfs/dbraw/zinc/51/73/37/558517337.db2.gz LMMIVJHTFDNCLZ-UHFFFAOYSA-N 0 0 400.261 5.242 40 0 HKABRN CCOc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1Cl ZINC000408585062 558518373 /nfs/dbraw/zinc/51/83/73/558518373.db2.gz BMDPLFORNCZSFT-UHFFFAOYSA-N 0 0 415.942 5.130 40 0 HKABRN CCCCCCOc1ccc(C(=O)Nc2cccc(I)c2)cc1 ZINC000408585165 558518377 /nfs/dbraw/zinc/51/83/77/558518377.db2.gz BUYZBLLKGDWAQX-UHFFFAOYSA-N 0 0 423.294 5.503 40 0 HKABRN CCCCCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1 ZINC000408585171 557488381 /nfs/dbraw/zinc/48/83/81/557488381.db2.gz CAYYILQYKFRDCG-UHFFFAOYSA-N 0 0 419.521 6.699 40 0 HKABRN CCc1ccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000408585172 558518423 /nfs/dbraw/zinc/51/84/23/558518423.db2.gz CBEABUXYFLWAQC-UHFFFAOYSA-N 0 0 410.311 5.843 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)c1cc(Cl)ccc1OCc1ccccc1 ZINC000408585187 558518414 /nfs/dbraw/zinc/51/84/14/558518414.db2.gz CLASMGWEPMCLRG-UHFFFAOYSA-N 0 0 406.696 6.478 40 0 HKABRN CC(C)c1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 ZINC000408585285 558518491 /nfs/dbraw/zinc/51/84/91/558518491.db2.gz YMFBMFSUYDYZKQ-UHFFFAOYSA-N 0 0 415.559 5.019 40 0 HKABRN CCOc1ccc(Br)cc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000408585420 558518473 /nfs/dbraw/zinc/51/84/73/558518473.db2.gz DFWADPDSIIFCIA-UHFFFAOYSA-N 0 0 412.283 5.892 40 0 HKABRN CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000408585446 558518486 /nfs/dbraw/zinc/51/84/86/558518486.db2.gz DUJRYKXLYLIHFY-UHFFFAOYSA-N 0 0 417.130 6.187 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000408585468 557488932 /nfs/dbraw/zinc/48/89/32/557488932.db2.gz FHRPDQUHDIMDKP-UHFFFAOYSA-N 0 0 406.696 6.478 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1cc(Br)ccc1OCc1ccccc1 ZINC000408585604 558518703 /nfs/dbraw/zinc/51/87/03/558518703.db2.gz GHMQQWFOEYNLPG-UHFFFAOYSA-N 0 0 416.702 5.934 40 0 HKABRN COc1ccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000408585628 558518582 /nfs/dbraw/zinc/51/85/82/558518582.db2.gz GPRNFESVRSGUHC-UHFFFAOYSA-N 0 0 412.283 5.289 40 0 HKABRN CCCCCCOc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000408585634 558518712 /nfs/dbraw/zinc/51/87/12/558518712.db2.gz GRVNNDJVOGGKEE-UHFFFAOYSA-N 0 0 416.517 6.352 40 0 HKABRN O=C(Nc1ccc(Br)cc1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000408585638 558518597 /nfs/dbraw/zinc/51/85/97/558518597.db2.gz GTNSMWKQIXGLBX-UHFFFAOYSA-N 0 0 416.702 5.934 40 0 HKABRN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1Cl ZINC000408585807 558518569 /nfs/dbraw/zinc/51/85/69/558518569.db2.gz JMXZTWPEKSLUOA-UHFFFAOYSA-N 0 0 415.125 5.500 40 0 HKABRN O=C(Nc1ccccc1Cl)c1cc(Br)ccc1OCc1ccccc1 ZINC000408585870 558518616 /nfs/dbraw/zinc/51/86/16/558518616.db2.gz JSGZKXKVYWGPLF-UHFFFAOYSA-N 0 0 416.702 5.934 40 0 HKABRN Cc1ccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c(C)c1 ZINC000408585914 557489623 /nfs/dbraw/zinc/48/96/23/557489623.db2.gz KDHPLYDOIBWSJI-UHFFFAOYSA-N 0 0 410.311 5.897 40 0 HKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000408585961 558518692 /nfs/dbraw/zinc/51/86/92/558518692.db2.gz KPAGGFKRDDBUCZ-UHFFFAOYSA-N 0 0 405.803 6.190 40 0 HKABRN CCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(F)(F)F ZINC000408586092 558518853 /nfs/dbraw/zinc/51/88/53/558518853.db2.gz LAYLRJIMFBMFQD-UHFFFAOYSA-N 0 0 402.210 5.509 40 0 HKABRN O=C(COC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(Cl)cc1 ZINC000408586186 558518916 /nfs/dbraw/zinc/51/89/16/558518916.db2.gz LTNOSHJQXUGHRI-UHFFFAOYSA-N 0 0 415.272 5.612 40 0 HKABRN COc1ccccc1NC(=O)c1cc(Br)ccc1OCc1ccccc1 ZINC000408586203 558518913 /nfs/dbraw/zinc/51/89/13/558518913.db2.gz LVESOHCJIRBICK-UHFFFAOYSA-N 0 0 412.283 5.289 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1cc(Br)ccc1OCc1ccccc1 ZINC000408586245 558518849 /nfs/dbraw/zinc/51/88/49/558518849.db2.gz MDURUUCBZIFHIQ-UHFFFAOYSA-N 0 0 400.247 5.420 40 0 HKABRN O=C(Nc1ccccc1F)c1cc(Br)ccc1OCc1ccccc1 ZINC000408586262 558518917 /nfs/dbraw/zinc/51/89/17/558518917.db2.gz MITROAGKMZQHER-UHFFFAOYSA-N 0 0 400.247 5.420 40 0 HKABRN CCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000408586288 558518922 /nfs/dbraw/zinc/51/89/22/558518922.db2.gz MPVBOEKUDGILJP-UHFFFAOYSA-N 0 0 403.103 5.797 40 0 HKABRN CCCCCCOc1ccc(C(=O)Nc2ccccc2I)cc1 ZINC000408586311 558518863 /nfs/dbraw/zinc/51/88/63/558518863.db2.gz MRXRQYNOSBPDOQ-UHFFFAOYSA-N 0 0 423.294 5.503 40 0 HKABRN CCCCOc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000408586581 557492935 /nfs/dbraw/zinc/49/29/35/557492935.db2.gz OBFRIIBLLQMMDJ-UHFFFAOYSA-N 0 0 422.908 6.226 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)c1cc(Cl)ccc1OCc1ccccc1 ZINC000408586679 558518844 /nfs/dbraw/zinc/51/88/44/558518844.db2.gz OTUTZPNQWLIBPI-UHFFFAOYSA-N 0 0 406.696 6.478 40 0 HKABRN Cc1ccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1C ZINC000408586741 558518907 /nfs/dbraw/zinc/51/89/07/558518907.db2.gz PCFIWJAQAHMNHZ-UHFFFAOYSA-N 0 0 410.311 5.897 40 0 HKABRN S=C(NCCCc1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408587172 557493856 /nfs/dbraw/zinc/49/38/56/557493856.db2.gz RTACVPNRPUBXMI-UHFFFAOYSA-N 0 0 404.623 6.074 40 0 HKABRN O=C(Nc1cccc(Br)c1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000408587597 557491109 /nfs/dbraw/zinc/49/11/09/557491109.db2.gz SGIMZTMSCPPHHL-UHFFFAOYSA-N 0 0 416.702 5.934 40 0 HKABRN CCCCCCOc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000408587619 558519417 /nfs/dbraw/zinc/51/94/17/558519417.db2.gz SNEXJLVTCRKWEI-UHFFFAOYSA-N 0 0 410.739 6.314 40 0 HKABRN CCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2ccccc2OC)cc1 ZINC000408587662 558519422 /nfs/dbraw/zinc/51/94/22/558519422.db2.gz SYMVGHZKKXYRKO-UHFFFAOYSA-N 0 0 411.885 6.182 40 0 HKABRN O=C(Nc1ccccc1Br)c1cc(Cl)ccc1OCc1ccccc1 ZINC000408587664 558519494 /nfs/dbraw/zinc/51/94/94/558519494.db2.gz SYXXYKZGGNQWAK-UHFFFAOYSA-N 0 0 416.702 5.934 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1 ZINC000408588371 558522229 /nfs/dbraw/zinc/52/22/29/558522229.db2.gz VTLBQOUXOCWPTH-UHFFFAOYSA-N 0 0 410.311 5.897 40 0 HKABRN CCc1ccccc1NC(=O)c1cc(Br)ccc1OCc1ccccc1 ZINC000408588495 557493334 /nfs/dbraw/zinc/49/33/34/557493334.db2.gz WODGJHLGYJTSMC-UHFFFAOYSA-N 0 0 410.311 5.843 40 0 HKABRN CCCOc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000408588912 557494892 /nfs/dbraw/zinc/49/48/92/557494892.db2.gz XDZCXRPZNQNCQQ-UHFFFAOYSA-N 0 0 408.881 5.836 40 0 HKABRN O=C(Nc1ccccc1C(F)(F)F)c1cc(Cl)ccc1OCc1ccccc1 ZINC000408588925 558523211 /nfs/dbraw/zinc/52/32/11/558523211.db2.gz XFGHTSVEAGVTRX-UHFFFAOYSA-N 0 0 405.803 6.190 40 0 HKABRN O=C(Nc1ccc(Cl)cc1Cl)c1cc(Cl)ccc1OCc1ccccc1 ZINC000408588946 558523257 /nfs/dbraw/zinc/52/32/57/558523257.db2.gz XJEMNEIAEXKGCG-UHFFFAOYSA-N 0 0 406.696 6.478 40 0 HKABRN Cc1cccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1C ZINC000408589212 558523732 /nfs/dbraw/zinc/52/37/32/558523732.db2.gz ZBZQIIQQSQAHNC-UHFFFAOYSA-N 0 0 410.311 5.897 40 0 HKABRN CCOc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1C ZINC000408589292 558524382 /nfs/dbraw/zinc/52/43/82/558524382.db2.gz ZZEABAFHMWTMAR-UHFFFAOYSA-N 0 0 413.109 5.171 40 0 HKABRN CCOc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1Cl ZINC000408591034 558529452 /nfs/dbraw/zinc/52/94/52/558529452.db2.gz HXBPKBCOYRMDFA-UHFFFAOYSA-N 0 0 419.955 5.691 40 0 HKABRN COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000408592925 558528244 /nfs/dbraw/zinc/52/82/44/558528244.db2.gz MHVGTBDFGAPIIL-UHFFFAOYSA-N 0 0 401.098 5.110 40 0 HKABRN CCOc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl ZINC000408593293 558528234 /nfs/dbraw/zinc/52/82/34/558528234.db2.gz MGUMKZQMCKNNSU-UHFFFAOYSA-N 0 0 417.914 5.119 40 0 HKABRN CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)ccc21 ZINC000408593735 558530284 /nfs/dbraw/zinc/53/02/84/558530284.db2.gz NGEYLSFSUJDKFV-UHFFFAOYSA-N 0 0 414.914 5.277 40 0 HKABRN Cc1cc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)ccc1Br ZINC000408594170 558530526 /nfs/dbraw/zinc/53/05/26/558530526.db2.gz GMZYTRXAVMCTIT-UHFFFAOYSA-N 0 0 418.143 5.191 40 0 HKABRN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl ZINC000408594351 557512124 /nfs/dbraw/zinc/51/21/24/557512124.db2.gz OQNQKWHFRLOFDV-UHFFFAOYSA-N 0 0 414.232 5.212 40 0 HKABRN Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)ccc1Br ZINC000408594553 558530743 /nfs/dbraw/zinc/53/07/43/558530743.db2.gz IGORXOFYQHILJA-UHFFFAOYSA-N 0 0 418.143 5.191 40 0 HKABRN O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)c(Cl)c1 ZINC000408594590 558531015 /nfs/dbraw/zinc/53/10/15/558531015.db2.gz IRXNHWYAICVANE-UHFFFAOYSA-N 0 0 408.335 5.244 40 0 HKABRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)c1ccc(F)cc1 ZINC000408595178 558531132 /nfs/dbraw/zinc/53/11/32/558531132.db2.gz KZEGHWAOTFHFJV-UHFFFAOYSA-N 0 0 421.497 5.144 40 0 HKABRN CCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000408595680 558531527 /nfs/dbraw/zinc/53/15/27/558531527.db2.gz RBONXFYPLVLSAJ-UHFFFAOYSA-N 0 0 403.887 5.332 40 0 HKABRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)c1ccccc1 ZINC000408597108 558532526 /nfs/dbraw/zinc/53/25/26/558532526.db2.gz VZFKKUSHPRFOFF-UHFFFAOYSA-N 0 0 403.507 5.005 40 0 HKABRN CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1cccc(C)c1 ZINC000408597161 557516789 /nfs/dbraw/zinc/51/67/89/557516789.db2.gz XSVBUVSTOHWMFZ-UHFFFAOYSA-N 0 0 406.338 5.555 40 0 HKABRN CCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1Cl ZINC000408598203 558529980 /nfs/dbraw/zinc/52/99/80/558529980.db2.gz XXXFEBUXYYKTPS-UHFFFAOYSA-N 0 0 414.232 5.212 40 0 HKABRN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1C ZINC000408598390 558529946 /nfs/dbraw/zinc/52/99/46/558529946.db2.gz ZRWPCNWDYJXDCD-UHFFFAOYSA-N 0 0 408.523 5.322 40 0 HKABRN CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2Cl)C1=O ZINC000408598788 558531567 /nfs/dbraw/zinc/53/15/67/558531567.db2.gz BDYRHPVIXAJAKG-YBFXNURJSA-N 0 0 401.915 5.611 40 0 HKABRN CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000408598817 558529702 /nfs/dbraw/zinc/52/97/02/558529702.db2.gz BIQMJBRBJCUNNW-YBFXNURJSA-N 0 0 401.915 5.611 40 0 HKABRN O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Br)c2ccccc12 ZINC000408598850 558532844 /nfs/dbraw/zinc/53/28/44/558532844.db2.gz BVUSIOWSUDMKCN-UHFFFAOYSA-N 0 0 412.312 5.209 40 0 HKABRN Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000408599067 558533457 /nfs/dbraw/zinc/53/34/57/558533457.db2.gz DHKCITWHUDZNHC-UHFFFAOYSA-N 0 0 410.926 5.632 40 0 HKABRN CCCOc1ccccc1/C=C1\SC(=O)N(Cc2c(F)cccc2Cl)C1=O ZINC000408599514 557509902 /nfs/dbraw/zinc/50/99/02/557509902.db2.gz IGQFSEMRUUCYFI-WQRHYEAKSA-N 0 0 405.878 5.504 40 0 HKABRN O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000408599821 558534487 /nfs/dbraw/zinc/53/44/87/558534487.db2.gz LNSYLNNYUSFQFZ-UHFFFAOYSA-N 0 0 414.701 5.026 40 0 HKABRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc(F)cc4F)o3)C2=O)cc1 ZINC000408599896 558534490 /nfs/dbraw/zinc/53/44/90/558534490.db2.gz NWZQGRNCDDZCOK-JAIQZWGSSA-N 0 0 411.429 5.770 40 0 HKABRN O=Cc1cn(CC(=O)Nc2ccc(Br)c3ccccc23)c2ccccc12 ZINC000408599907 557510238 /nfs/dbraw/zinc/51/02/38/557510238.db2.gz OCEOFGGBNDFFOA-UHFFFAOYSA-N 0 0 407.267 5.008 40 0 HKABRN CC(C)COc1ccccc1/C=C1\SC(=O)N(Cc2c(F)cccc2Cl)C1=O ZINC000408599924 558534483 /nfs/dbraw/zinc/53/44/83/558534483.db2.gz OTBSULFSUGZIMT-GRSHGNNSSA-N 0 0 419.905 5.750 40 0 HKABRN COc1ccc(-c2c(C)nn(-c3c(Cl)cc(Cl)cc3Cl)c2N)cc1OC ZINC000408600109 558534994 /nfs/dbraw/zinc/53/49/94/558534994.db2.gz UTARWZZJYOJCLN-UHFFFAOYSA-N 0 0 412.704 5.407 40 0 HKABRN COc1ccccc1-c1cnc2c(-c3ccccc3)c(COc3ccccc3)nn2c1N ZINC000408600135 558534968 /nfs/dbraw/zinc/53/49/68/558534968.db2.gz VLMKFXAVNWRHPM-UHFFFAOYSA-N 0 0 422.488 5.233 40 0 HKABRN CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000408600146 557510353 /nfs/dbraw/zinc/51/03/53/557510353.db2.gz VTHNLKCLRZSWOF-UHFFFAOYSA-N 0 0 416.477 5.043 40 0 HKABRN O=C(CSc1ccc(Cl)cc1)Nc1ccc(Br)c2ccccc12 ZINC000408600176 557510387 /nfs/dbraw/zinc/51/03/87/557510387.db2.gz WGMRNGHHGKKYKZ-UHFFFAOYSA-N 0 0 406.732 5.987 40 0 HKABRN CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O ZINC000408600200 558535000 /nfs/dbraw/zinc/53/50/00/558535000.db2.gz WUMZTOTTXINOLZ-DJKKODMXSA-N 0 0 419.905 5.750 40 0 HKABRN CCCOc1ccccc1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O ZINC000408600219 558535021 /nfs/dbraw/zinc/53/50/21/558535021.db2.gz AKGBMHYCHGWWRN-VCHYOVAHSA-N 0 0 405.878 5.504 40 0 HKABRN CCOc1cc(/C=C/C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)ccc1OC ZINC000408600315 558535049 /nfs/dbraw/zinc/53/50/49/558535049.db2.gz BKZTVNUTDQIKIS-RIYZIHGNSA-N 0 0 423.896 6.192 40 0 HKABRN CCCOc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000408600748 558532815 /nfs/dbraw/zinc/53/28/15/558532815.db2.gz FVVFWCQDNFVELP-WOJGMQOQSA-N 0 0 422.333 6.019 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)CSCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408600906 558535004 /nfs/dbraw/zinc/53/50/04/558535004.db2.gz GXJAIZUQOACIAC-UHFFFAOYSA-N 0 0 417.745 5.266 40 0 HKABRN CCCOc1ccccc1C=C1SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O ZINC000408601206 558538323 /nfs/dbraw/zinc/53/83/23/558538323.db2.gz JAPWBZBHVJZARH-XDHOZWIPSA-N 0 0 415.898 5.048 40 0 HKABRN O=C1S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1CCc1ccccc1 ZINC000408601256 558538342 /nfs/dbraw/zinc/53/83/42/558538342.db2.gz JJMGHUDWNNZXDY-DEDYPNTBSA-N 0 0 411.429 5.504 40 0 HKABRN CCOc1cc(/C=C/C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)ccc1OC ZINC000408601278 558538388 /nfs/dbraw/zinc/53/83/88/558538388.db2.gz JNWPNJDHPHMLQR-OQLLNIDSSA-N 0 0 423.896 6.192 40 0 HKABRN CCCOc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000408601285 558538664 /nfs/dbraw/zinc/53/86/64/558538664.db2.gz JOOXLGCZNDSXTM-VCHYOVAHSA-N 0 0 422.333 6.019 40 0 HKABRN CCOc1cc(/C=C/C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC ZINC000408601670 558538562 /nfs/dbraw/zinc/53/85/62/558538562.db2.gz LIKPOAHVAWGRRR-MHWRWJLKSA-N 0 0 403.478 5.325 40 0 HKABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000408601840 558538612 /nfs/dbraw/zinc/53/86/12/558538612.db2.gz BXDSUAQBAGSLDT-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCCOc1ccccc1/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000408601893 558538592 /nfs/dbraw/zinc/53/85/92/558538592.db2.gz LZEBLWPXLDRZGI-WOJGMQOQSA-N 0 0 422.333 6.019 40 0 HKABRN CCOc1cc(/C=C/C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)ccc1OC ZINC000408601994 558538649 /nfs/dbraw/zinc/53/86/49/558538649.db2.gz MURSNAYHKJPMJI-OQLLNIDSSA-N 0 0 419.477 5.547 40 0 HKABRN Cc1cc(S(=O)(=O)Nc2ccc(C(C)C)cc2)ccc1NC(=O)c1ccccc1 ZINC000408602305 558538597 /nfs/dbraw/zinc/53/85/97/558538597.db2.gz CVKKEIMQESHWAC-UHFFFAOYSA-N 0 0 408.523 5.172 40 0 HKABRN Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1NC(=O)c1ccccc1 ZINC000408602583 558538623 /nfs/dbraw/zinc/53/86/23/558538623.db2.gz DVNSQOZRJRRHHE-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1cc(Br)ccc1NCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408602905 558538568 /nfs/dbraw/zinc/53/85/68/558538568.db2.gz BJOTVTQJJLQFKE-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN CCOc1cc(/C=C/C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)ccc1OC ZINC000408602932 558538629 /nfs/dbraw/zinc/53/86/29/558538629.db2.gz PBPBTLQXUGJWIL-LZYBPNLTSA-N 0 0 403.478 5.847 40 0 HKABRN Cc1cc(Br)ccc1NCc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000408602981 557523389 /nfs/dbraw/zinc/52/33/89/557523389.db2.gz ABMRXFWZRALGCN-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN CCOc1cc(/C=C/C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)ccc1OC ZINC000408603064 558538789 /nfs/dbraw/zinc/53/87/89/558538789.db2.gz PXEPDHLNXIXTCS-OMCISZLKSA-N 0 0 419.477 5.547 40 0 HKABRN O=C1S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1Cc1ccccc1F ZINC000408603081 558538841 /nfs/dbraw/zinc/53/88/41/558538841.db2.gz QANBJQZFHGSLFW-VXLYETTFSA-N 0 0 415.392 5.600 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1cccc(F)c1 ZINC000408603259 557523625 /nfs/dbraw/zinc/52/36/25/557523625.db2.gz BSZLSKRZUPJGNI-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN Cc1cc(Br)ccc1NCc1ccccc1OCc1ccccc1F ZINC000408603679 558538780 /nfs/dbraw/zinc/53/87/80/558538780.db2.gz CGJGPZXGYXTWCX-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 ZINC000408603955 557524519 /nfs/dbraw/zinc/52/45/19/557524519.db2.gz HPPMTPPGDASNGX-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1cccc(F)c1 ZINC000408604056 557524922 /nfs/dbraw/zinc/52/49/22/557524922.db2.gz CYQFGRDNKCBEQL-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN Clc1ccc(NCc2ccccc2OCc2cccc3ccccc32)c(Cl)c1 ZINC000408604105 557525180 /nfs/dbraw/zinc/52/51/80/557525180.db2.gz DKAPQRZWUOQXAP-UHFFFAOYSA-N 0 0 408.328 7.338 40 0 HKABRN O=C1S/C(=C\c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000408604191 558538807 /nfs/dbraw/zinc/53/88/07/558538807.db2.gz UHBOWBYVAGIIRL-ZDLGFXPLSA-N 0 0 417.820 6.119 40 0 HKABRN O=C1S/C(=C\c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1c1cccc(Cl)c1 ZINC000408604527 558539005 /nfs/dbraw/zinc/53/90/05/558539005.db2.gz VBGKPEXBLNMPOD-ZDLGFXPLSA-N 0 0 417.820 6.119 40 0 HKABRN O=C1S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1Cc1ccc(F)cc1 ZINC000408604551 558538977 /nfs/dbraw/zinc/53/89/77/558538977.db2.gz VHWFELURTQIYQA-VXLYETTFSA-N 0 0 415.392 5.600 40 0 HKABRN CCOc1cc(/C=C/C(=O)Nc2ccc(Oc3ccccc3OC)cc2)ccc1OC ZINC000408604592 558539006 /nfs/dbraw/zinc/53/90/06/558539006.db2.gz VPMBKEZJAYUKJS-MHWRWJLKSA-N 0 0 419.477 5.547 40 0 HKABRN Fc1ccc(COc2ccc(CNc3ccc(Cl)cc3Cl)cc2Cl)cc1 ZINC000408604655 557527207 /nfs/dbraw/zinc/52/72/07/557527207.db2.gz DQWLITPVMROGAR-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN Fc1ccc(NCc2ccc(OCc3ccc(Br)cc3)cc2)cc1Cl ZINC000408604662 557527377 /nfs/dbraw/zinc/52/73/77/557527377.db2.gz DRQZAHDYWITHNW-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cc2cc(Cl)ccc2o1 ZINC000408604746 558539001 /nfs/dbraw/zinc/53/90/01/558539001.db2.gz IBASFTLFNZIVCD-UHFFFAOYSA-N 0 0 405.925 6.806 40 0 HKABRN O=C(COc1ccc(CNc2ccc(F)c(Cl)c2)cc1)Nc1ccc(Cl)cc1 ZINC000408604767 558539013 /nfs/dbraw/zinc/53/90/13/558539013.db2.gz FBPMEIORZTXAGF-UHFFFAOYSA-N 0 0 419.283 5.762 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)CSCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408605159 558538974 /nfs/dbraw/zinc/53/89/74/558538974.db2.gz XBSZLMFPKQTKDW-UHFFFAOYSA-N 0 0 417.745 5.266 40 0 HKABRN CCOc1cc(/C=C/C(=O)Nc2ccc(Oc3ccccc3C)cc2)ccc1OC ZINC000408605175 558539003 /nfs/dbraw/zinc/53/90/03/558539003.db2.gz XEYPTASRHWOETO-MHWRWJLKSA-N 0 0 403.478 5.847 40 0 HKABRN Cc1cc(Br)ccc1NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000408605364 557517672 /nfs/dbraw/zinc/51/76/72/557517672.db2.gz GSRJUXCOTSOGSJ-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN Cc1cc(Br)ccc1NCc1cccc(OCc2ccccc2Cl)c1 ZINC000408605483 558539131 /nfs/dbraw/zinc/53/91/31/558539131.db2.gz HJGPANUVWRZPHH-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN O=C(c1cc2c(ccc3ccccc23)o1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408605739 558539224 /nfs/dbraw/zinc/53/92/24/558539224.db2.gz JYXFZMYCSXLQDX-UHFFFAOYSA-N 0 0 424.422 5.567 40 0 HKABRN CCCN1C(=O)S/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)C1=O ZINC000408605828 558539252 /nfs/dbraw/zinc/53/92/52/558539252.db2.gz YWMAVCUDAAWDLK-WQRHYEAKSA-N 0 0 405.878 5.504 40 0 HKABRN Cc1cc(Br)ccc1NCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000408605840 557518134 /nfs/dbraw/zinc/51/81/34/557518134.db2.gz GXGCLVGTTWMGFE-UHFFFAOYSA-N 0 0 423.329 6.512 40 0 HKABRN Cc1ccc(COc2ccc(CNc3ccc(Cl)cc3Cl)cc2Cl)cc1 ZINC000408605931 558539207 /nfs/dbraw/zinc/53/92/07/558539207.db2.gz HJWDBGFDWSDIFA-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1ccccc1F ZINC000408605956 558539144 /nfs/dbraw/zinc/53/91/44/558539144.db2.gz HUFVZDIFFGOENM-UHFFFAOYSA-N 0 0 403.856 6.208 40 0 HKABRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)NC(=S)N1 ZINC000408606119 557518043 /nfs/dbraw/zinc/51/80/43/557518043.db2.gz OHKXTUNTZLSFQH-FQEVSTJZSA-N 0 0 423.925 5.032 40 0 HKABRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)NC(=S)N1 ZINC000408606120 558539149 /nfs/dbraw/zinc/53/91/49/558539149.db2.gz OHKXTUNTZLSFQH-HXUWFJFHSA-N 0 0 423.925 5.032 40 0 HKABRN Cc1cc(Br)ccc1NCc1ccc(OCc2ccccc2Cl)cc1 ZINC000408606178 558539220 /nfs/dbraw/zinc/53/92/20/558539220.db2.gz HMZDPKYHVNWQBR-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Cc1cc(Br)ccc1NCc1cccc(OCc2cccc(Cl)c2)c1 ZINC000408606217 558539173 /nfs/dbraw/zinc/53/91/73/558539173.db2.gz HRMFXKAOBOXVPK-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN CCOc1cc(CNc2ccc(Br)cc2C)cc(Br)c1O ZINC000408606222 558539189 /nfs/dbraw/zinc/53/91/89/558539189.db2.gz HRYBIYMTAKMYNF-UHFFFAOYSA-N 0 0 415.125 5.236 40 0 HKABRN CCCOc1c(Cl)cc(CNc2ccc(Br)cc2C)cc1Cl ZINC000408606242 558539244 /nfs/dbraw/zinc/53/92/44/558539244.db2.gz HSPWQRPMCVIKHE-UHFFFAOYSA-N 0 0 403.147 6.465 40 0 HKABRN Cc1cc(Br)ccc1NCc1ccccc1OCc1ccccc1Cl ZINC000408606318 558539229 /nfs/dbraw/zinc/53/92/29/558539229.db2.gz IHOLNOXONWHUTM-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Fc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1Cl ZINC000408606505 557518539 /nfs/dbraw/zinc/51/85/39/557518539.db2.gz IGXDNHJKFGSMAZ-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)cc1 ZINC000408607145 558539339 /nfs/dbraw/zinc/53/93/39/558539339.db2.gz NATCBEQUQBLGFM-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1cc(Br)ccc1NCc1ccc(OCc2ccccc2F)cc1 ZINC000408607228 558539475 /nfs/dbraw/zinc/53/94/75/558539475.db2.gz JECAAHXEKDSAPW-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN O=C(COc1cccc(CNc2ccc(Cl)cc2Cl)c1)Nc1ccccc1 ZINC000408607284 557519090 /nfs/dbraw/zinc/51/90/90/557519090.db2.gz KNIFEANMBXMYSL-UHFFFAOYSA-N 0 0 401.293 5.623 40 0 HKABRN COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408607327 558539652 /nfs/dbraw/zinc/53/96/52/558539652.db2.gz KZMVLDZDMLHWIU-UHFFFAOYSA-N 0 0 424.274 6.471 40 0 HKABRN Cc1cc(Br)ccc1NCc1cccc(OCc2cccc(F)c2)c1 ZINC000408607348 558539691 /nfs/dbraw/zinc/53/96/91/558539691.db2.gz KATDBHLRLDIMRC-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)CN3c4cccc5cccc(c45)C3=O)ccc21 ZINC000408607408 558539614 /nfs/dbraw/zinc/53/96/14/558539614.db2.gz MATMINUZPUWSBU-UHFFFAOYSA-N 0 0 419.484 5.567 40 0 HKABRN CCCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)cc1 ZINC000408607580 557519296 /nfs/dbraw/zinc/51/92/96/557519296.db2.gz NGGFVOWETVHEQZ-UHFFFAOYSA-N 0 0 422.550 5.391 40 0 HKABRN Fc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1Cl ZINC000408607996 558539602 /nfs/dbraw/zinc/53/96/02/558539602.db2.gz LKKOPKZVHFYAOR-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN COc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1 ZINC000408608055 558539559 /nfs/dbraw/zinc/53/95/59/558539559.db2.gz MKDNOIZBEUJSOT-UHFFFAOYSA-N 0 0 414.864 5.117 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1F ZINC000408608057 558539674 /nfs/dbraw/zinc/53/96/74/558539674.db2.gz MKNNRPBRHITJQR-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 ZINC000408608145 557532004 /nfs/dbraw/zinc/53/20/04/557532004.db2.gz OPCZVKHVSYAEHL-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1cc(Br)ccc1NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000408608393 558539932 /nfs/dbraw/zinc/53/99/32/558539932.db2.gz LKRZDLLPTIXYQF-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN CCCOc1ccc(CNc2ccc(Br)cc2C)cc1Br ZINC000408608462 557531858 /nfs/dbraw/zinc/53/18/58/557531858.db2.gz LQZFIEVPOYCNGS-UHFFFAOYSA-N 0 0 413.153 5.921 40 0 HKABRN CCOc1cc(/C=C/C(=O)Nc2ccc(Br)cc2Cl)ccc1OC ZINC000408608530 557531981 /nfs/dbraw/zinc/53/19/81/557531981.db2.gz NWULEBCTQCEEON-WEVVVXLNSA-N 0 0 410.695 5.162 40 0 HKABRN Fc1ccccc1COc1ccc(CNc2ccc(Cl)cc2Cl)cc1Cl ZINC000408608932 558539830 /nfs/dbraw/zinc/53/98/30/558539830.db2.gz NBORDBOGUAJCRJ-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN Fc1cccc(COc2ccc(CNc3ccc(Cl)cc3Cl)cc2Cl)c1 ZINC000408609161 557532518 /nfs/dbraw/zinc/53/25/18/557532518.db2.gz OKANOSRIDAPITA-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN O=C(COc1ccc(Cl)cc1CNc1ccc(F)c(Cl)c1)Nc1ccccc1 ZINC000408609732 558534958 /nfs/dbraw/zinc/53/49/58/558534958.db2.gz OMFDMULMNQQFKB-UHFFFAOYSA-N 0 0 419.283 5.762 40 0 HKABRN Cc1cc(Br)ccc1NCc1cc(Cl)ccc1OCc1ccccc1 ZINC000408609831 558535226 /nfs/dbraw/zinc/53/52/26/558535226.db2.gz PAGOTDKSPCISBK-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Fc1ccc(NCc2cccc(OCc3ccc(Br)cc3)c2)cc1Cl ZINC000408610003 557533148 /nfs/dbraw/zinc/53/31/48/557533148.db2.gz PZVIMMLORAOECT-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)cc1Cl ZINC000408610326 558535483 /nfs/dbraw/zinc/53/54/83/558535483.db2.gz SWHVMBXRXYTIEA-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Clc1cccc(Cn2cc(CNc3ccc(Cl)cc3Cl)c3ccccc32)c1 ZINC000408610619 557534018 /nfs/dbraw/zinc/53/40/18/557534018.db2.gz QRUGPYFJNXBBID-UHFFFAOYSA-N 0 0 415.751 7.262 40 0 HKABRN Fc1cccc(COc2ccc3ccccc3c2CNc2ccc(F)c(Cl)c2)c1 ZINC000408610657 558535566 /nfs/dbraw/zinc/53/55/66/558535566.db2.gz QZJWRTNJTXNSSZ-UHFFFAOYSA-N 0 0 409.863 6.963 40 0 HKABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 ZINC000408610783 558535509 /nfs/dbraw/zinc/53/55/09/558535509.db2.gz UKEXKIQCXMAKDI-UHFFFAOYSA-N 0 0 422.550 5.173 40 0 HKABRN Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 ZINC000408610857 558535647 /nfs/dbraw/zinc/53/56/47/558535647.db2.gz USLFRDAUZZMATM-UHFFFAOYSA-N 0 0 422.550 5.480 40 0 HKABRN Cc1cc(Br)ccc1NCc1ccccc1OCc1ccc(F)cc1 ZINC000408610916 558535622 /nfs/dbraw/zinc/53/56/22/558535622.db2.gz PBQVEWMNTODEOS-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN Cc1cc(Br)ccc1NCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000408611074 558535785 /nfs/dbraw/zinc/53/57/85/558535785.db2.gz QBSZCMWGOYAUNR-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Cc1cccc(NC(=O)COc2ccccc2CNc2ccc(Cl)cc2Cl)c1 ZINC000408611451 557529639 /nfs/dbraw/zinc/52/96/39/557529639.db2.gz SEVNMQGUYIIOCV-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN COc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1cccc2ccccc21 ZINC000408611594 557529664 /nfs/dbraw/zinc/52/96/64/557529664.db2.gz UEPIMFSVQVILRA-UHFFFAOYSA-N 0 0 421.899 6.832 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccc(F)cc1 ZINC000408611608 557529963 /nfs/dbraw/zinc/52/99/63/557529963.db2.gz UJAQWHBNIZJOGH-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN Cc1cc(S(=O)(=O)Nc2cccc3ccccc32)ccc1NC(=O)c1ccccc1 ZINC000408611866 558537465 /nfs/dbraw/zinc/53/74/65/558537465.db2.gz XEIVPJXGMKCZMR-UHFFFAOYSA-N 0 0 416.502 5.201 40 0 HKABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)c1 ZINC000408612150 557530188 /nfs/dbraw/zinc/53/01/88/557530188.db2.gz XRDAVZOOCADDRF-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN COc1cc(CNc2ccc(Br)cc2C)ccc1OCc1ccccc1 ZINC000408612239 557530194 /nfs/dbraw/zinc/53/01/94/557530194.db2.gz UZNRRQZBALDQJU-UHFFFAOYSA-N 0 0 412.327 5.957 40 0 HKABRN CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1ccc(F)cc1 ZINC000408612428 558537716 /nfs/dbraw/zinc/53/77/16/558537716.db2.gz VXTKWCODGGGSPQ-UHFFFAOYSA-N 0 0 403.856 6.208 40 0 HKABRN Cc1cc(Br)ccc1NCc1ccccc1OCc1ccc(Cl)cc1 ZINC000408612518 558537688 /nfs/dbraw/zinc/53/76/88/558537688.db2.gz RYVYLCIQNWVZED-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Fc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1Cl ZINC000408613025 558537720 /nfs/dbraw/zinc/53/77/20/558537720.db2.gz WJUZZVGWQPSHQN-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1cccc(F)c1 ZINC000408613028 558537629 /nfs/dbraw/zinc/53/76/29/558537629.db2.gz WMHGTZOUJCGBRR-UHFFFAOYSA-N 0 0 403.856 6.208 40 0 HKABRN Cc1cccc(NC(=O)COc2ccc(CNc3ccc(Cl)cc3Cl)cc2)c1 ZINC000408613054 557531210 /nfs/dbraw/zinc/53/12/10/557531210.db2.gz WZLHCWQTGLBEAZ-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN Cc1ccc(COc2c(Cl)cc(CNc3ccc(F)c(Cl)c3)cc2Cl)cc1 ZINC000408613147 558537830 /nfs/dbraw/zinc/53/78/30/558537830.db2.gz XRAMMLDJYILSNT-UHFFFAOYSA-N 0 0 424.730 7.285 40 0 HKABRN Clc1ccc(NCc2cccc(OCc3cccc4ccccc43)c2)c(Cl)c1 ZINC000408613204 557531263 /nfs/dbraw/zinc/53/12/63/557531263.db2.gz XYRCMVHOICEHIR-UHFFFAOYSA-N 0 0 408.328 7.338 40 0 HKABRN Cc1cc(Br)ccc1NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000408613447 558537855 /nfs/dbraw/zinc/53/78/55/558537855.db2.gz UJEMXFGGPUJWOA-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN Cc1cc(Br)ccc1NCc1ccccc1OCc1cccc(F)c1 ZINC000408613518 558537933 /nfs/dbraw/zinc/53/79/33/558537933.db2.gz UZQASFAWSGALQN-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN Clc1ccc(NCc2ccc(OCc3cccc4ccccc43)cc2)c(Cl)c1 ZINC000408613626 558538107 /nfs/dbraw/zinc/53/81/07/558538107.db2.gz YZJZABWIRQTBDM-UHFFFAOYSA-N 0 0 408.328 7.338 40 0 HKABRN Fc1ccc(NCc2ccccc2OCc2ccc(Br)cc2)cc1Cl ZINC000408613629 558538126 /nfs/dbraw/zinc/53/81/26/558538126.db2.gz YZZMJZVHRIRCAW-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN O=C(COc1ccc(CNc2ccc(F)c(Cl)c2)cc1Cl)Nc1ccccc1 ZINC000408613700 558538105 /nfs/dbraw/zinc/53/81/05/558538105.db2.gz ZLCUCUMFFVKEEI-UHFFFAOYSA-N 0 0 419.283 5.762 40 0 HKABRN Cc1cccc(NC(=O)COc2cccc(CNc3ccc(Cl)cc3Cl)c2)c1 ZINC000408613705 558538083 /nfs/dbraw/zinc/53/80/83/558538083.db2.gz ZMDQKTOJJXXNFU-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN Fc1cccc(COc2ccc(Cl)cc2CNc2ccc(Cl)cc2Cl)c1 ZINC000408613725 558538043 /nfs/dbraw/zinc/53/80/43/558538043.db2.gz ZRURVQOLHMYYRW-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN Cc1cc(Br)ccc1NCc1ccccc1OCc1cccc(Cl)c1 ZINC000408613858 558538053 /nfs/dbraw/zinc/53/80/53/558538053.db2.gz WPAYHTIVUPIJFS-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN CCCOc1c(Cl)cc(CNc2ccc(Br)cc2C)cc1OCC ZINC000408614004 558538310 /nfs/dbraw/zinc/53/83/10/558538310.db2.gz XFWYZRVBEMBLAF-UHFFFAOYSA-N 0 0 412.755 6.211 40 0 HKABRN Cc1cc(Br)ccc1NCc1ccc(OCc2cccc(Cl)c2)cc1 ZINC000408614041 558538998 /nfs/dbraw/zinc/53/89/98/558538998.db2.gz XOZLQSKZCFQGAI-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN COc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000408614686 557539892 /nfs/dbraw/zinc/53/98/92/557539892.db2.gz GJTIUIJWMBVEMP-UHFFFAOYSA-N 0 0 416.521 5.175 40 0 HKABRN Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000408614786 558543045 /nfs/dbraw/zinc/54/30/45/558543045.db2.gz HYHCXPOUCBPOIT-UHFFFAOYSA-N 0 0 413.304 5.484 40 0 HKABRN Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000408614858 557540223 /nfs/dbraw/zinc/54/02/23/557540223.db2.gz IXFNWRDRBYGTPC-UHFFFAOYSA-N 0 0 413.304 5.484 40 0 HKABRN O=C(Nc1ccc(CSc2ccccc2)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000408615136 558543088 /nfs/dbraw/zinc/54/30/88/558543088.db2.gz MJLUFJGIYISDOE-UHFFFAOYSA-N 0 0 409.510 7.131 40 0 HKABRN Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000408615270 558543082 /nfs/dbraw/zinc/54/30/82/558543082.db2.gz OFVZKBWZSMMIAD-UHFFFAOYSA-N 0 0 400.522 5.475 40 0 HKABRN O=C(NCc1ccc(F)cc1)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408615288 557540439 /nfs/dbraw/zinc/54/04/39/557540439.db2.gz OKGBHGXYTIRQLN-UHFFFAOYSA-N 0 0 417.267 5.315 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(F)cc2)cc1 ZINC000408615403 558543070 /nfs/dbraw/zinc/54/30/70/558543070.db2.gz PXLONOMZYJQTHZ-UHFFFAOYSA-N 0 0 404.485 5.306 40 0 HKABRN Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000408615413 558543038 /nfs/dbraw/zinc/54/30/38/558543038.db2.gz QBKVKCYQXRXAFX-UHFFFAOYSA-N 0 0 400.522 5.475 40 0 HKABRN O=C(Nc1ccc(Br)c(Cl)c1)c1cc2c(ccc3ccccc23)o1 ZINC000408615537 557541956 /nfs/dbraw/zinc/54/19/56/557541956.db2.gz QJINGVCJXLIALH-UHFFFAOYSA-N 0 0 400.659 6.254 40 0 HKABRN COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000408615737 558543227 /nfs/dbraw/zinc/54/32/27/558543227.db2.gz RONZBLSEXIDYNR-UHFFFAOYSA-N 0 0 416.521 5.175 40 0 HKABRN CCn1c2ccccc2c2cc(NC(=O)c3cc4c(ccc5ccccc45)o3)ccc21 ZINC000408616025 558543272 /nfs/dbraw/zinc/54/32/72/558543272.db2.gz FDIMKEDTMZEICP-UHFFFAOYSA-N 0 0 404.469 6.966 40 0 HKABRN Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408616029 557542309 /nfs/dbraw/zinc/54/23/09/557542309.db2.gz UYEASMDTEPNEDL-UHFFFAOYSA-N 0 0 413.304 5.484 40 0 HKABRN Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000408616172 558543257 /nfs/dbraw/zinc/54/32/57/558543257.db2.gz WTGVLEUDTXRYEX-UHFFFAOYSA-N 0 0 413.304 5.484 40 0 HKABRN O=C(Nc1ccccc1C(=O)NCc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000408616208 557542313 /nfs/dbraw/zinc/54/23/13/557542313.db2.gz XGUHKTWZIQCMPI-UHFFFAOYSA-N 0 0 417.267 5.315 40 0 HKABRN COc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000408616367 558543232 /nfs/dbraw/zinc/54/32/32/558543232.db2.gz YBKPKJMFYUVGKL-UHFFFAOYSA-N 0 0 416.521 5.175 40 0 HKABRN O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1cc2c(ccc3ccccc23)o1 ZINC000408616698 557542827 /nfs/dbraw/zinc/54/28/27/557542827.db2.gz BGTRBIWTFSPDEP-UHFFFAOYSA-N 0 0 420.468 5.768 40 0 HKABRN CSc1nc2sc(C(=O)Nc3ccc(Cl)cc3C)cc2c(N2CCCC2)n1 ZINC000408616823 558543224 /nfs/dbraw/zinc/54/32/24/558543224.db2.gz ACFBPZSNWMWUPB-UHFFFAOYSA-N 0 0 418.975 5.228 40 0 HKABRN COc1cc(C(=O)Nc2ccc(Br)cc2C(C)C)cc(Cl)c1OC ZINC000408616854 558543199 /nfs/dbraw/zinc/54/31/99/558543199.db2.gz AEASKGAQFCICEI-UHFFFAOYSA-N 0 0 412.711 5.495 40 0 HKABRN Cc1cccc(C)c1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408616920 558543289 /nfs/dbraw/zinc/54/32/89/558543289.db2.gz ARZDQRNDYWWPCA-UHFFFAOYSA-N 0 0 402.881 5.698 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccc(Br)cc2C(C)C)cc1OC ZINC000408616959 558543209 /nfs/dbraw/zinc/54/32/09/558543209.db2.gz AUQGLEGNABUPCM-UHFFFAOYSA-N 0 0 406.320 5.622 40 0 HKABRN Cc1cccc(Oc2ccc(C(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2)c1 ZINC000408617002 558543192 /nfs/dbraw/zinc/54/31/92/558543192.db2.gz AZQCAEAZRWAMKH-UHFFFAOYSA-N 0 0 423.295 7.585 40 0 HKABRN CCCOc1c(Br)cc(C(=O)Nc2cc(F)ccc2C)cc1OCC ZINC000408617019 558543292 /nfs/dbraw/zinc/54/32/92/558543292.db2.gz BBLOKNBDZONDCN-UHFFFAOYSA-N 0 0 410.283 5.336 40 0 HKABRN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000408617090 558543526 /nfs/dbraw/zinc/54/35/26/558543526.db2.gz BKXJGAVDWRHQFA-UHFFFAOYSA-N 0 0 424.283 7.298 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1OCC ZINC000408617096 558543533 /nfs/dbraw/zinc/54/35/33/558543533.db2.gz BOUUNCVPTWJQNG-UHFFFAOYSA-N 0 0 419.521 6.617 40 0 HKABRN CCOc1cc(C(=O)Nc2c(C)cccc2CC)cc(Cl)c1OCc1ccccc1 ZINC000408617110 558543453 /nfs/dbraw/zinc/54/34/53/558543453.db2.gz BRNASMDFLNHXBF-UHFFFAOYSA-N 0 0 423.940 6.441 40 0 HKABRN CCCOc1c(Cl)cc(C(=O)Nc2ccc(Br)c(C)c2)cc1OC ZINC000408617340 558543448 /nfs/dbraw/zinc/54/34/48/558543448.db2.gz BWVYLEBNLKCETG-UHFFFAOYSA-N 0 0 412.711 5.461 40 0 HKABRN Cc1nc(-c2ccc(C(=O)Nc3ccc(Oc4ccccc4C)cc3)cc2)cs1 ZINC000408617485 558543531 /nfs/dbraw/zinc/54/35/31/558543531.db2.gz CKTGOLLRSVOFHC-UHFFFAOYSA-N 0 0 400.503 6.472 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc1OCC ZINC000408617489 558543524 /nfs/dbraw/zinc/54/35/24/558543524.db2.gz CLEAZMMWJUOOPA-UHFFFAOYSA-N 0 0 421.493 5.927 40 0 HKABRN O=C(Nc1cccc2ccccc21)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408617630 558543470 /nfs/dbraw/zinc/54/34/70/558543470.db2.gz CWESQIQAUXYGIO-UHFFFAOYSA-N 0 0 424.887 6.234 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408617646 558543499 /nfs/dbraw/zinc/54/34/99/558543499.db2.gz CXKAXRWZXGZEHX-UHFFFAOYSA-N 0 0 423.299 6.043 40 0 HKABRN COc1ccc(Cl)cc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 ZINC000408617656 558543504 /nfs/dbraw/zinc/54/35/04/558543504.db2.gz AVPWRSHEXLBDCI-UHFFFAOYSA-N 0 0 405.306 5.282 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1OCC ZINC000408618134 557534365 /nfs/dbraw/zinc/53/43/65/557534365.db2.gz DOLBKIUOWOOMDD-UHFFFAOYSA-N 0 0 410.283 5.418 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)cc1OCC ZINC000408618154 558543665 /nfs/dbraw/zinc/54/36/65/558543665.db2.gz DRKLATOCKNIJAA-UHFFFAOYSA-N 0 0 421.493 5.927 40 0 HKABRN Cc1cccc(Oc2ccc(C(=O)c3ccc(-c4ccc(F)c(Cl)c4)o3)cc2)c1 ZINC000408618198 558543686 /nfs/dbraw/zinc/54/36/86/558543686.db2.gz DXFYKRIGRVKQFJ-UHFFFAOYSA-N 0 0 406.840 7.071 40 0 HKABRN CSc1nc2sc(C(=O)Nc3cc(C)ccc3C)cc2c(N2CCCCC2)n1 ZINC000408618243 558543605 /nfs/dbraw/zinc/54/36/05/558543605.db2.gz FGWYLVDASHLVNE-UHFFFAOYSA-N 0 0 412.584 5.273 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1cc2c(nc(SC)nc2N2CCCC2)s1 ZINC000408618260 557534957 /nfs/dbraw/zinc/53/49/57/557534957.db2.gz FJFGQFYXKUSUMP-UHFFFAOYSA-N 0 0 412.584 5.137 40 0 HKABRN CSc1nc2sc(C(=O)Nc3cccc(Cl)c3C)cc2c(N2CCCC2)n1 ZINC000408618266 557534968 /nfs/dbraw/zinc/53/49/68/557534968.db2.gz FJTLBZLPGNKRKA-UHFFFAOYSA-N 0 0 418.975 5.228 40 0 HKABRN CCCOc1c(Br)cc(C(=O)Nc2c(C)cccc2CC)cc1OCC ZINC000408618270 558543640 /nfs/dbraw/zinc/54/36/40/558543640.db2.gz FLACJECJGOYEFW-UHFFFAOYSA-N 0 0 420.347 5.760 40 0 HKABRN Cc1ccc(C)c(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)c1 ZINC000408618298 557534947 /nfs/dbraw/zinc/53/49/47/557534947.db2.gz FYPWNHYJZLOGPS-UHFFFAOYSA-N 0 0 402.881 5.698 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000408618307 558543697 /nfs/dbraw/zinc/54/36/97/558543697.db2.gz GBFFRVRPZHNZQC-UHFFFAOYSA-N 0 0 409.272 5.735 40 0 HKABRN CSc1nc2sc(C(=O)Nc3ccc(Cl)cc3)cc2c(N2CCCCC2)n1 ZINC000408618315 557534954 /nfs/dbraw/zinc/53/49/54/557534954.db2.gz GHVMVNODGOKRPM-UHFFFAOYSA-N 0 0 418.975 5.309 40 0 HKABRN CSc1nc2sc(C(=O)Nc3c(C)cc(C)cc3C)cc2c(N2CCCC2)n1 ZINC000408618802 558543837 /nfs/dbraw/zinc/54/38/37/558543837.db2.gz GTADOFTUAJUESF-UHFFFAOYSA-N 0 0 412.584 5.191 40 0 HKABRN Cc1nc(-c2ccc(C(=O)Nc3ccc(Oc4ccc(C)cc4)cc3)cc2)cs1 ZINC000408618837 558543916 /nfs/dbraw/zinc/54/39/16/558543916.db2.gz HCBLUVRMEKGJEL-UHFFFAOYSA-N 0 0 400.503 6.472 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)cc1OC ZINC000408618840 558543899 /nfs/dbraw/zinc/54/38/99/558543899.db2.gz HCYSZHXSQFZZRB-UHFFFAOYSA-N 0 0 407.466 5.537 40 0 HKABRN CSc1nc2sc(C(=O)Nc3ccc(C)c(C)c3)cc2c(N2CCCCC2)n1 ZINC000408618881 557535769 /nfs/dbraw/zinc/53/57/69/557535769.db2.gz HQTHCHQTZMNDCZ-UHFFFAOYSA-N 0 0 412.584 5.273 40 0 HKABRN COc1cccc(Oc2ccc(NC(=O)c3ccc(-c4csc(C)n4)cc3)cc2)c1 ZINC000408618889 558543897 /nfs/dbraw/zinc/54/38/97/558543897.db2.gz HUIUOZBZDACEKV-UHFFFAOYSA-N 0 0 416.502 6.172 40 0 HKABRN O=C(NC1CCCCCCC1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408618892 558543892 /nfs/dbraw/zinc/54/38/92/558543892.db2.gz HVROJRJWHLJFAR-UHFFFAOYSA-N 0 0 408.929 5.672 40 0 HKABRN CSc1nc2sc(C(=O)NCCC3=CCCCC3)cc2c(N2CCCCC2)n1 ZINC000408618896 558543833 /nfs/dbraw/zinc/54/38/33/558543833.db2.gz HXSBCUWXOSQDAR-UHFFFAOYSA-N 0 0 416.616 5.024 40 0 HKABRN Cc1ccc(CNC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)cc1 ZINC000408618897 557535700 /nfs/dbraw/zinc/53/57/00/557535700.db2.gz HYBAVXQGRTVBQV-UHFFFAOYSA-N 0 0 402.881 5.067 40 0 HKABRN CSc1nc2sc(C(=O)Nc3ccc(C)c(Cl)c3)cc2c(N2CCCC2)n1 ZINC000408618906 557535689 /nfs/dbraw/zinc/53/56/89/557535689.db2.gz ICYOVLPGPOXTEJ-UHFFFAOYSA-N 0 0 418.975 5.228 40 0 HKABRN COc1cccc(Oc2ccc(C(=O)c3ccc(-c4ccc(F)c(Cl)c4)o3)cc2)c1 ZINC000408618914 558543849 /nfs/dbraw/zinc/54/38/49/558543849.db2.gz IGOFZSXRVNRJHR-UHFFFAOYSA-N 0 0 422.839 6.771 40 0 HKABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cc(Cl)ccc1C ZINC000408619085 558543852 /nfs/dbraw/zinc/54/38/52/558543852.db2.gz FYHPOFNEUXCVDO-UHFFFAOYSA-N 0 0 403.718 5.091 40 0 HKABRN CC(C)c1ccccc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000408619172 557536368 /nfs/dbraw/zinc/53/63/68/557536368.db2.gz GIHZGOIHTOGLDE-UHFFFAOYSA-N 0 0 404.535 5.516 40 0 HKABRN COc1c(C)cc(Br)cc1C(=O)Nc1nc2c(cc(C)cc2C)s1 ZINC000408619248 557536345 /nfs/dbraw/zinc/53/63/45/557536345.db2.gz APVXZIRBGHVMMK-UHFFFAOYSA-N 0 0 405.317 5.245 40 0 HKABRN Cc1cc(C)c(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(C)c1 ZINC000408619341 558543889 /nfs/dbraw/zinc/54/38/89/558543889.db2.gz BGRGVOVGFCOFQW-FNORWQNLSA-N 0 0 400.305 6.831 40 0 HKABRN O=C(Nc1cccc(NC(=O)c2cccc3c(Cl)cccc23)c1)c1ccccc1 ZINC000408619349 558543925 /nfs/dbraw/zinc/54/39/25/558543925.db2.gz BHDIQCQLXQHTGA-UHFFFAOYSA-N 0 0 400.865 5.998 40 0 HKABRN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1cc2c(ccc3ccccc23)o1 ZINC000408619350 558543906 /nfs/dbraw/zinc/54/39/06/558543906.db2.gz LTNJPQVVTLRTRD-UHFFFAOYSA-N 0 0 412.489 5.901 40 0 HKABRN CCOc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000408619357 557536565 /nfs/dbraw/zinc/53/65/65/557536565.db2.gz BKSFLJCECBEOME-CSKARUKUSA-N 0 0 402.277 6.304 40 0 HKABRN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4cccnc4Cl)ccc3o2)cc1 ZINC000408619373 558543929 /nfs/dbraw/zinc/54/39/29/558543929.db2.gz BMYPLDWCMOPPEK-UHFFFAOYSA-N 0 0 405.885 6.093 40 0 HKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1cc(Cl)ccc1C ZINC000408619415 557536578 /nfs/dbraw/zinc/53/65/78/557536578.db2.gz BXVMKXQBAJKNPL-UHFFFAOYSA-N 0 0 404.691 5.825 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408619435 558543921 /nfs/dbraw/zinc/54/39/21/558543921.db2.gz IIKRMJBSTFNTEN-UHFFFAOYSA-N 0 0 423.299 6.043 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc(Cl)c1OC ZINC000408619440 558543904 /nfs/dbraw/zinc/54/39/04/558543904.db2.gz IJBVFYAGYZWSLI-UHFFFAOYSA-N 0 0 411.885 6.100 40 0 HKABRN CSc1nc2sc(C(=O)Nc3cccc(C)c3C)cc2c(N2CCCCC2)n1 ZINC000408619445 558543895 /nfs/dbraw/zinc/54/38/95/558543895.db2.gz IJKBDHDYMJVHEG-UHFFFAOYSA-N 0 0 412.584 5.273 40 0 HKABRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2cccc(Cl)c2)o1 ZINC000408619446 558543868 /nfs/dbraw/zinc/54/38/68/558543868.db2.gz CCHNZSJRNHXGFL-UHFFFAOYSA-N 0 0 400.183 6.525 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1 ZINC000408619525 558543857 /nfs/dbraw/zinc/54/38/57/558543857.db2.gz CNSMTJZGHDKQAR-UHFFFAOYSA-N 0 0 400.478 6.153 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1OC ZINC000408619532 558543871 /nfs/dbraw/zinc/54/38/71/558543871.db2.gz IWKCWOYXWKPHIC-UHFFFAOYSA-N 0 0 405.494 6.227 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c(C)c1 ZINC000408619548 558543901 /nfs/dbraw/zinc/54/39/01/558543901.db2.gz CSFMYUJYESHVOB-UHFFFAOYSA-N 0 0 400.478 5.746 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(Br)cc2C(C)C)cc1OC ZINC000408619549 558543876 /nfs/dbraw/zinc/54/38/76/558543876.db2.gz IXQCYWJFEBQXKS-UHFFFAOYSA-N 0 0 420.347 6.012 40 0 HKABRN CC(=O)c1ccc(NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000408619550 558544053 /nfs/dbraw/zinc/54/40/53/558544053.db2.gz CSGJOUZDVJKGJU-VQHVLOKHSA-N 0 0 400.261 6.108 40 0 HKABRN CCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1OC ZINC000408619557 558544055 /nfs/dbraw/zinc/54/40/55/558544055.db2.gz IZQDPPNGEKTGQH-UHFFFAOYSA-N 0 0 411.885 6.100 40 0 HKABRN O=C(NCc1ccc(Cl)cc1Cl)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000408619566 558544069 /nfs/dbraw/zinc/54/40/69/558544069.db2.gz JDRYVNSPLQREFX-UHFFFAOYSA-N 0 0 423.299 5.412 40 0 HKABRN CCc1ccccc1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408619567 558544019 /nfs/dbraw/zinc/54/40/19/558544019.db2.gz JEOHXXKLEWAAIX-UHFFFAOYSA-N 0 0 402.881 5.644 40 0 HKABRN CSc1nc2sc(C(=O)Nc3ccc(C)cc3C)cc2c(N2CCCCC2)n1 ZINC000408619600 558543960 /nfs/dbraw/zinc/54/39/60/558543960.db2.gz JVTGASUEIXVEIS-UHFFFAOYSA-N 0 0 412.584 5.273 40 0 HKABRN COc1cccc(Oc2ccc(NC(=O)c3cc(Cl)c(OC)c(OC)c3)cc2)c1 ZINC000408619601 558544066 /nfs/dbraw/zinc/54/40/66/558544066.db2.gz JXJXQMSVHQCZIQ-UHFFFAOYSA-N 0 0 413.857 5.410 40 0 HKABRN COc1ccccc1Oc1ccc(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 ZINC000408619609 558544028 /nfs/dbraw/zinc/54/40/28/558544028.db2.gz KDASTBAVSALCPN-UHFFFAOYSA-N 0 0 422.839 6.771 40 0 HKABRN COc1c(F)c(F)c(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(F)c1F ZINC000408619898 558544076 /nfs/dbraw/zinc/54/40/76/558544076.db2.gz DADKKIOOAVNSHA-UHFFFAOYSA-N 0 0 402.558 5.464 40 0 HKABRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000408619915 557542812 /nfs/dbraw/zinc/54/28/12/557542812.db2.gz DFASNIUBIZTAIA-UHFFFAOYSA-N 0 0 400.183 6.525 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccc(C)c(C)c4)ccc3o2)c1 ZINC000408619958 558544073 /nfs/dbraw/zinc/54/40/73/558544073.db2.gz DXVJFWIZJZGANZ-UHFFFAOYSA-N 0 0 400.478 5.746 40 0 HKABRN O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1cccnc1Cl ZINC000408619963 558544058 /nfs/dbraw/zinc/54/40/58/558544058.db2.gz FAOODEGTSYIARC-UHFFFAOYSA-N 0 0 402.212 5.588 40 0 HKABRN Cc1cc(C)c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C)c1 ZINC000408619970 558544014 /nfs/dbraw/zinc/54/40/14/558544014.db2.gz FFOMKPXVIFVZSJ-RMKNXTFCSA-N 0 0 400.305 6.831 40 0 HKABRN O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccc(F)c1 ZINC000408619983 558544008 /nfs/dbraw/zinc/54/40/08/558544008.db2.gz FRYUYRXQWMKVGT-UHFFFAOYSA-N 0 0 403.240 5.637 40 0 HKABRN Cc1cc(C)cc(OCC(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1 ZINC000408620012 557538284 /nfs/dbraw/zinc/53/82/84/557538284.db2.gz GLTWBRVCNHBHNB-UHFFFAOYSA-N 0 0 400.478 5.746 40 0 HKABRN CSc1nc2sc(C(=O)Nc3c(C)cccc3C)cc2c(N2CCCCC2)n1 ZINC000408620123 558544082 /nfs/dbraw/zinc/54/40/82/558544082.db2.gz KLPLPSXHFDQXHA-UHFFFAOYSA-N 0 0 412.584 5.273 40 0 HKABRN CSc1nc2sc(C(=O)Nc3cccc(Cl)c3)cc2c(N2CCCCC2)n1 ZINC000408620182 558544023 /nfs/dbraw/zinc/54/40/23/558544023.db2.gz KXJRIXSVSDXATC-UHFFFAOYSA-N 0 0 418.975 5.309 40 0 HKABRN Cc1cc(C)cc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)c1 ZINC000408620196 558543954 /nfs/dbraw/zinc/54/39/54/558543954.db2.gz KZFDGMZNLHMOGW-UHFFFAOYSA-N 0 0 402.881 5.698 40 0 HKABRN O=C(Nc1cccc(Cl)c1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408620235 558544306 /nfs/dbraw/zinc/54/43/06/558544306.db2.gz LELUBQVYVJTXQA-UHFFFAOYSA-N 0 0 409.272 5.735 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc(Cl)c1OC ZINC000408620270 558544291 /nfs/dbraw/zinc/54/42/91/558544291.db2.gz LLUBHSIMDWSOBH-UHFFFAOYSA-N 0 0 411.885 6.100 40 0 HKABRN CCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc1OC ZINC000408620334 558544296 /nfs/dbraw/zinc/54/42/96/558544296.db2.gz LWGOCADWXRSJON-UHFFFAOYSA-N 0 0 411.885 6.100 40 0 HKABRN CCOc1cc(C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCC ZINC000408620357 558544275 /nfs/dbraw/zinc/54/42/75/558544275.db2.gz MAFOLECXDJKVDI-UHFFFAOYSA-N 0 0 412.711 5.461 40 0 HKABRN COc1c(C)cccc1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000408620499 558544301 /nfs/dbraw/zinc/54/43/01/558544301.db2.gz GPCDUPJIONINMD-UHFFFAOYSA-N 0 0 403.301 5.142 40 0 HKABRN CC(=O)c1cccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)c1 ZINC000408620522 558544286 /nfs/dbraw/zinc/54/42/86/558544286.db2.gz GYSWBXPWVGQPED-UHFFFAOYSA-N 0 0 400.689 5.484 40 0 HKABRN CCc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)C)c3)nc2c1 ZINC000408620523 558544218 /nfs/dbraw/zinc/54/42/18/558544218.db2.gz JVCIOGIVQKAQCN-UHFFFAOYSA-N 0 0 401.919 5.180 40 0 HKABRN Cc1cc(C)c(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)c(C)c1 ZINC000408620584 557541869 /nfs/dbraw/zinc/54/18/69/557541869.db2.gz HNZSMJOUMORPSD-UHFFFAOYSA-N 0 0 400.733 6.206 40 0 HKABRN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)cc1OC ZINC000408620588 558544314 /nfs/dbraw/zinc/54/43/14/558544314.db2.gz HOCGZMMHBWEGOV-UHFFFAOYSA-N 0 0 402.450 5.381 40 0 HKABRN O=C(Nc1ccccc1N1CCCC1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000408620608 558544309 /nfs/dbraw/zinc/54/43/09/558544309.db2.gz HQYOVHHLOGYAHB-UHFFFAOYSA-N 0 0 401.293 6.106 40 0 HKABRN Cc1cc(Br)ccc1NC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000408620634 558544225 /nfs/dbraw/zinc/54/42/25/558544225.db2.gz IAZNNTFPQJWVEO-UHFFFAOYSA-N 0 0 402.332 5.823 40 0 HKABRN COc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)c(OC)cc1Cl ZINC000408620640 558544240 /nfs/dbraw/zinc/54/42/40/558544240.db2.gz IBKOCYWQKMRMJN-UHFFFAOYSA-N 0 0 403.906 5.422 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000408620663 557545541 /nfs/dbraw/zinc/54/55/41/557545541.db2.gz INGGSFKYLNSQEZ-UHFFFAOYSA-N 0 0 402.494 5.299 40 0 HKABRN CN(C)c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000408620665 558544255 /nfs/dbraw/zinc/54/42/55/558544255.db2.gz INIAKZPYLCYSEU-CSKARUKUSA-N 0 0 401.293 5.971 40 0 HKABRN CCOc1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408620691 558544248 /nfs/dbraw/zinc/54/42/48/558544248.db2.gz IRUFEXBLEIOQEL-FMIVXFBMSA-N 0 0 402.277 6.304 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cccc(OC(C)C)c4)ccc3o2)c1 ZINC000408620695 558544284 /nfs/dbraw/zinc/54/42/84/558544284.db2.gz IVGRANGWMKMEJY-UHFFFAOYSA-N 0 0 400.478 6.151 40 0 HKABRN COc1c(Cl)cc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1Cl ZINC000408620701 558544274 /nfs/dbraw/zinc/54/42/74/558544274.db2.gz IXXZLSPJZJAEKG-UHFFFAOYSA-N 0 0 401.702 5.826 40 0 HKABRN CCOc1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 ZINC000408620707 557545859 /nfs/dbraw/zinc/54/58/59/557545859.db2.gz JFEOJFNCPGOJHS-UHFFFAOYSA-N 0 0 402.705 5.680 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1OCC ZINC000408620851 558544269 /nfs/dbraw/zinc/54/42/69/558544269.db2.gz MNGSYNZTQZCVKL-UHFFFAOYSA-N 0 0 419.521 6.617 40 0 HKABRN COc1ccc(Oc2ccc(NC(=O)c3ccc(-c4csc(C)n4)cc3)cc2)cc1 ZINC000408620905 558544258 /nfs/dbraw/zinc/54/42/58/558544258.db2.gz MUDRQJBGEBISQJ-UHFFFAOYSA-N 0 0 416.502 6.172 40 0 HKABRN O=C(OCC(=O)c1ccc(Cl)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000408620906 557545841 /nfs/dbraw/zinc/54/58/41/557545841.db2.gz MUMDGYNYNUOXAZ-UHFFFAOYSA-N 0 0 409.652 5.947 40 0 HKABRN Cc1ccc(Oc2ccc(C(=O)c3ccc(-c4ccc(F)c(Cl)c4)o3)cc2)cc1 ZINC000408620951 558544389 /nfs/dbraw/zinc/54/43/89/558544389.db2.gz NBEZNWOHNLQKAT-UHFFFAOYSA-N 0 0 406.840 7.071 40 0 HKABRN O=C(NCCC1=CCCCC1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408620995 558544381 /nfs/dbraw/zinc/54/43/81/558544381.db2.gz NHELBMAKUCYSFJ-UHFFFAOYSA-N 0 0 406.913 5.449 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc1OCC ZINC000408621067 558544450 /nfs/dbraw/zinc/54/44/50/558544450.db2.gz NOYVRRAZXBBTRG-UHFFFAOYSA-N 0 0 407.466 5.537 40 0 HKABRN CC(C)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000408621073 558544418 /nfs/dbraw/zinc/54/44/18/558544418.db2.gz JNOQVBQLXSTTSB-FMIVXFBMSA-N 0 0 400.305 7.029 40 0 HKABRN CSc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000408621086 558544409 /nfs/dbraw/zinc/54/44/09/558544409.db2.gz OAOUIJNYTSKVDP-UHFFFAOYSA-N 0 0 413.608 5.677 40 0 HKABRN Cc1cc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)ccc1Br ZINC000408621087 558544425 /nfs/dbraw/zinc/54/44/25/558544425.db2.gz NPEQLKDRVSCLSA-UHFFFAOYSA-N 0 0 408.654 6.062 40 0 HKABRN Cc1ccccc1Oc1ccc(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 ZINC000408621094 558544446 /nfs/dbraw/zinc/54/44/46/558544446.db2.gz NPJNIERDYKAITN-UHFFFAOYSA-N 0 0 406.840 7.071 40 0 HKABRN COc1ccc(OCC(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1 ZINC000408621112 557546078 /nfs/dbraw/zinc/54/60/78/557546078.db2.gz JTCYQBDQSXAMMC-UHFFFAOYSA-N 0 0 402.450 5.138 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)COc4cc(C)cc(C)c4)ccc3o2)c(C)c1 ZINC000408621168 558544386 /nfs/dbraw/zinc/54/43/86/558544386.db2.gz KCASYHAFVHMSSM-UHFFFAOYSA-N 0 0 400.478 5.746 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3o2)c1 ZINC000408621169 558544448 /nfs/dbraw/zinc/54/44/48/558544448.db2.gz KDOYYHSATHPKQR-UHFFFAOYSA-N 0 0 400.434 5.135 40 0 HKABRN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c1 ZINC000408621188 558544406 /nfs/dbraw/zinc/54/44/06/558544406.db2.gz KGKTXXIDGZNPRA-UHFFFAOYSA-N 0 0 403.265 5.854 40 0 HKABRN Cc1cc(C)c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c(C)c1 ZINC000408621189 558544476 /nfs/dbraw/zinc/54/44/76/558544476.db2.gz LMHUGTIOWVXUAD-UHFFFAOYSA-N 0 0 404.535 5.318 40 0 HKABRN CCOc1ccccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000408621220 558544493 /nfs/dbraw/zinc/54/44/93/558544493.db2.gz KOWGGQJAQVNVIM-CSKARUKUSA-N 0 0 402.277 6.304 40 0 HKABRN CC(C)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408621223 558544454 /nfs/dbraw/zinc/54/44/54/558544454.db2.gz KRAFIJISWMOXKQ-FMIVXFBMSA-N 0 0 400.305 7.029 40 0 HKABRN CC(C)c1ccc(OCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000408621233 558544374 /nfs/dbraw/zinc/54/43/74/558544374.db2.gz KSWJLMXXJURHCP-UHFFFAOYSA-N 0 0 402.519 6.104 40 0 HKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(C(C)C)cc2)c1Cl ZINC000408621236 557546259 /nfs/dbraw/zinc/54/62/59/557546259.db2.gz KTYIUKSZUHRDGI-UHFFFAOYSA-N 0 0 400.733 6.405 40 0 HKABRN O=C(Nc1ccccc1N1CCCC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408621252 558544462 /nfs/dbraw/zinc/54/44/62/558544462.db2.gz KZXCZPJRPGFGNG-UHFFFAOYSA-N 0 0 401.293 6.106 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)c4cccc(OC(C)C)c4)ccc3o2)c(C)c1 ZINC000408621261 558544459 /nfs/dbraw/zinc/54/44/59/558544459.db2.gz LCNNLWPZEVIXLU-UHFFFAOYSA-N 0 0 400.478 6.151 40 0 HKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(N(C)C)cc2)c1Cl ZINC000408621267 558544432 /nfs/dbraw/zinc/54/44/32/558544432.db2.gz LCUCZUDFAUESGM-UHFFFAOYSA-N 0 0 401.721 5.347 40 0 HKABRN CCc1cccc(C)c1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000408621294 558544496 /nfs/dbraw/zinc/54/44/96/558544496.db2.gz LHPVUDJZWNERSY-CSKARUKUSA-N 0 0 400.305 6.776 40 0 HKABRN CCOc1ccccc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl ZINC000408621309 558544394 /nfs/dbraw/zinc/54/43/94/558544394.db2.gz LOALONOALMYBJD-UHFFFAOYSA-N 0 0 402.705 5.680 40 0 HKABRN Cc1nc(-c2ccc(C(=O)Nc3ccc(Oc4cccc(C)c4)cc3)cc2)cs1 ZINC000408621395 557546265 /nfs/dbraw/zinc/54/62/65/557546265.db2.gz OAHCONCJAKFCLI-UHFFFAOYSA-N 0 0 400.503 6.472 40 0 HKABRN O=C(Nc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1)c1ccccc1 ZINC000408621432 558544489 /nfs/dbraw/zinc/54/44/89/558544489.db2.gz MHKISABSXHHCHQ-UHFFFAOYSA-N 0 0 400.865 5.998 40 0 HKABRN CSc1nc2sc(C(=O)Nc3cc(Cl)ccc3C)cc2c(N2CCCC2)n1 ZINC000408621462 558544588 /nfs/dbraw/zinc/54/45/88/558544588.db2.gz OCRRXBYOTKMJEZ-UHFFFAOYSA-N 0 0 418.975 5.228 40 0 HKABRN COc1ccc(Oc2ccc(C(=O)c3ccc(-c4ccc(F)c(Cl)c4)o3)cc2)cc1 ZINC000408621500 558544647 /nfs/dbraw/zinc/54/46/47/558544647.db2.gz OGLGRAGQKZWNKK-UHFFFAOYSA-N 0 0 422.839 6.771 40 0 HKABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 ZINC000408621507 558544610 /nfs/dbraw/zinc/54/46/10/558544610.db2.gz SIQWARHIFVJKOI-UHFFFAOYSA-N 0 0 420.490 5.103 40 0 HKABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)C(C)C)ccc3Cl)nc2c1 ZINC000408621537 558544656 /nfs/dbraw/zinc/54/46/56/558544656.db2.gz MQCGFYIYXQETMD-UHFFFAOYSA-N 0 0 401.919 5.180 40 0 HKABRN O=C(Nc1ccc(Br)cc1F)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408621551 558544607 /nfs/dbraw/zinc/54/46/07/558544607.db2.gz OOOTUFYAYGHFCP-UHFFFAOYSA-N 0 0 412.617 5.893 40 0 HKABRN C[C@H](NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21)c1ccccc1 ZINC000408621556 558544633 /nfs/dbraw/zinc/54/46/33/558544633.db2.gz ORGFWTHIQYBSPN-INIZCTEOSA-N 0 0 402.881 5.320 40 0 HKABRN C[C@@H](NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21)c1ccccc1 ZINC000408621559 558544594 /nfs/dbraw/zinc/54/45/94/558544594.db2.gz ORGFWTHIQYBSPN-MRXNPFEDSA-N 0 0 402.881 5.320 40 0 HKABRN Cc1cccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)c1C ZINC000408621564 558544672 /nfs/dbraw/zinc/54/46/72/558544672.db2.gz ORHWZOWVROYQPI-UHFFFAOYSA-N 0 0 402.881 5.698 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc2c(ccc3ccccc23)o1 ZINC000408621606 558544598 /nfs/dbraw/zinc/54/45/98/558544598.db2.gz SSEJJHXPNKYXEP-UHFFFAOYSA-N 0 0 413.860 7.284 40 0 HKABRN CC(C)c1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000408621608 557547485 /nfs/dbraw/zinc/54/74/85/557547485.db2.gz NAOUCSPLNGSMJR-UHFFFAOYSA-N 0 0 404.535 5.516 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc(Cl)c1OC ZINC000408621620 558544664 /nfs/dbraw/zinc/54/46/64/558544664.db2.gz OVIRAGNEEVJXLB-UHFFFAOYSA-N 0 0 411.885 6.100 40 0 HKABRN COc1ccc(Oc2ccc(NC(=O)c3cc(Cl)c(OC)c(OC)c3)cc2)cc1 ZINC000408621622 558544622 /nfs/dbraw/zinc/54/46/22/558544622.db2.gz OWARQOVACJVMPN-UHFFFAOYSA-N 0 0 413.857 5.410 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)cc1OCC ZINC000408621657 557547781 /nfs/dbraw/zinc/54/77/81/557547781.db2.gz PBQBTZSAOYVEEE-UHFFFAOYSA-N 0 0 407.466 5.537 40 0 HKABRN Cc1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)c(C)c1 ZINC000408621695 557547818 /nfs/dbraw/zinc/54/78/18/557547818.db2.gz PFFYNADDKPCUPG-UHFFFAOYSA-N 0 0 402.881 5.698 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1OC ZINC000408621722 558544659 /nfs/dbraw/zinc/54/46/59/558544659.db2.gz PHBVDWLEDUQODL-UHFFFAOYSA-N 0 0 405.494 6.227 40 0 HKABRN Cc1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)cc1C ZINC000408621744 558544671 /nfs/dbraw/zinc/54/46/71/558544671.db2.gz PJLSLKBIIJJVTL-UHFFFAOYSA-N 0 0 402.881 5.698 40 0 HKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1Cl ZINC000408621772 557547788 /nfs/dbraw/zinc/54/77/88/557547788.db2.gz NULOXYPCAWVZPJ-UHFFFAOYSA-N 0 0 403.718 5.091 40 0 HKABRN Cc1cc(C)c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c(C)c1 ZINC000408621818 557547803 /nfs/dbraw/zinc/54/78/03/557547803.db2.gz OFPQRSTYJVTPLS-UHFFFAOYSA-N 0 0 404.535 5.318 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c(C)c1 ZINC000408621914 558544636 /nfs/dbraw/zinc/54/46/36/558544636.db2.gz QDNJMOYMRBOCTR-UHFFFAOYSA-N 0 0 420.490 5.103 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4cccc(C)c4C)ccc3o2)c1 ZINC000408621932 558544644 /nfs/dbraw/zinc/54/46/44/558544644.db2.gz MUNKJKHHNAPSGG-UHFFFAOYSA-N 0 0 400.478 5.746 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c(Cl)c1 ZINC000408621937 557548003 /nfs/dbraw/zinc/54/80/03/557548003.db2.gz MWFOOGOXBUAXGF-UHFFFAOYSA-N 0 0 404.853 5.899 40 0 HKABRN CCCOc1cccc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1 ZINC000408621944 558544577 /nfs/dbraw/zinc/54/45/77/558544577.db2.gz NFDRNGUDKIDTMC-UHFFFAOYSA-N 0 0 400.478 6.153 40 0 HKABRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cccc(OCc2ccccc2)c1 ZINC000408621967 558544583 /nfs/dbraw/zinc/54/45/83/558544583.db2.gz NWYCXTOGIKNGRY-UHFFFAOYSA-N 0 0 405.803 6.190 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)COc4cccc(C)c4C)ccc3o2)c(C)c1 ZINC000408621969 558544669 /nfs/dbraw/zinc/54/46/69/558544669.db2.gz OAKMIWJOTKPHOR-UHFFFAOYSA-N 0 0 400.478 5.746 40 0 HKABRN CCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000408621974 558544619 /nfs/dbraw/zinc/54/46/19/558544619.db2.gz OCPCCOWICHMKLZ-UHFFFAOYSA-N 0 0 400.522 6.051 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c1 ZINC000408621978 557548073 /nfs/dbraw/zinc/54/80/73/557548073.db2.gz ODFZEWDLDGUMHJ-UHFFFAOYSA-N 0 0 402.494 5.299 40 0 HKABRN CC(C)COc1ccc(C(=O)Nc2nc(-c3cccc4ccccc43)cs2)cc1 ZINC000408621980 558544665 /nfs/dbraw/zinc/54/46/65/558544665.db2.gz OEEPIPYBFKNHHO-UHFFFAOYSA-N 0 0 402.519 6.250 40 0 HKABRN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 ZINC000408621981 557548070 /nfs/dbraw/zinc/54/80/70/557548070.db2.gz OGCNHOGLPMEDOY-UHFFFAOYSA-N 0 0 401.677 5.256 40 0 HKABRN CCOc1ccc(C(=O)Nc2nc3c(s2)c(C)ccc3C)cc1Br ZINC000408621984 557548083 /nfs/dbraw/zinc/54/80/83/557548083.db2.gz OHXWYIMLSDPYGF-UHFFFAOYSA-N 0 0 405.317 5.327 40 0 HKABRN CC(=O)c1cccc(NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 ZINC000408621999 557548046 /nfs/dbraw/zinc/54/80/46/557548046.db2.gz OSUVZAVNOHITPK-SOFGYWHQSA-N 0 0 400.261 6.108 40 0 HKABRN Cc1cc(NC(=O)COc2cccc3ccccc32)ccc1NC(=O)c1ccco1 ZINC000408622001 558544625 /nfs/dbraw/zinc/54/46/25/558544625.db2.gz OUIYEPDWKWYIFR-UHFFFAOYSA-N 0 0 400.434 5.011 40 0 HKABRN CCOc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000408622013 558544615 /nfs/dbraw/zinc/54/46/15/558544615.db2.gz PEMVKZRDOLTRKQ-FMIVXFBMSA-N 0 0 402.277 6.304 40 0 HKABRN CCOc1ccccc1N(Cc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000408622115 558544667 /nfs/dbraw/zinc/54/46/67/558544667.db2.gz ATELJXHNTHVBIP-UHFFFAOYSA-N 0 0 401.915 5.134 40 0 HKABRN COc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2ccc(F)cc2)cc1 ZINC000408622160 557548265 /nfs/dbraw/zinc/54/82/65/557548265.db2.gz BDJNIZUUFZFOLM-UHFFFAOYSA-N 0 0 423.868 5.022 40 0 HKABRN COc1cccc(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000408622194 558544628 /nfs/dbraw/zinc/54/46/28/558544628.db2.gz BHBSHAOADZZVNB-UHFFFAOYSA-N 0 0 422.333 5.398 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1OCC ZINC000408622266 558544874 /nfs/dbraw/zinc/54/48/74/558544874.db2.gz PLPRWHYOHPPENU-UHFFFAOYSA-N 0 0 405.494 6.227 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408622280 558544954 /nfs/dbraw/zinc/54/49/54/558544954.db2.gz PMJROXKCYOIULA-UHFFFAOYSA-N 0 0 423.299 6.043 40 0 HKABRN O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000408622336 557548461 /nfs/dbraw/zinc/54/84/61/557548461.db2.gz BZBKBXIZFPSBSV-UHFFFAOYSA-N 0 0 410.297 5.528 40 0 HKABRN CSc1nc2sc(C(=O)Nc3ccc(C(C)C)cc3)cc2c(N2CCCC2)n1 ZINC000408622389 558544896 /nfs/dbraw/zinc/54/48/96/558544896.db2.gz PYGSSWQUIKIZOQ-UHFFFAOYSA-N 0 0 412.584 5.389 40 0 HKABRN CCc1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)cc1 ZINC000408622409 558540562 /nfs/dbraw/zinc/54/05/62/558540562.db2.gz QABBDXXUBPUUKG-UHFFFAOYSA-N 0 0 402.881 5.644 40 0 HKABRN O=C(Nc1ccccc1Cl)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408622535 558540549 /nfs/dbraw/zinc/54/05/49/558540549.db2.gz QYIJLHKDQAWYNP-UHFFFAOYSA-N 0 0 409.272 5.735 40 0 HKABRN CSc1nc2sc(C(=O)Nc3cccc4ccccc43)cc2c(N2CCCC2)n1 ZINC000408622538 557548471 /nfs/dbraw/zinc/54/84/71/557548471.db2.gz RAIYJKWWPLILBS-UHFFFAOYSA-N 0 0 420.563 5.419 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)cc4)ccc3o2)c(C)c1 ZINC000408622647 558540639 /nfs/dbraw/zinc/54/06/39/558540639.db2.gz QGUYNHOHYNRGQS-WUXMJOGZSA-N 0 0 402.881 6.417 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(OC(C)C)cc4)ccc3o2)c(C)c1 ZINC000408622651 557548728 /nfs/dbraw/zinc/54/87/28/557548728.db2.gz QHUCVICQABGGOP-UHFFFAOYSA-N 0 0 400.478 6.151 40 0 HKABRN O=C(Nc1ccccc1N1CCCC1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408622699 557548703 /nfs/dbraw/zinc/54/87/03/557548703.db2.gz QTTOYYPHWOSZDQ-UHFFFAOYSA-N 0 0 401.293 6.106 40 0 HKABRN CCc1cccc(C)c1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408622731 557548699 /nfs/dbraw/zinc/54/86/99/557548699.db2.gz RFBSOZFJJXIPMN-FMIVXFBMSA-N 0 0 400.305 6.776 40 0 HKABRN NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408622745 558540644 /nfs/dbraw/zinc/54/06/44/558540644.db2.gz RHRIDFVAYNFZAQ-JXMROGBWSA-N 0 0 401.249 5.004 40 0 HKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000408622751 557548760 /nfs/dbraw/zinc/54/87/60/557548760.db2.gz RHXXPWCHSRCLNR-UHFFFAOYSA-N 0 0 405.237 5.100 40 0 HKABRN COc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c(Cl)c1Cl ZINC000408622755 558540632 /nfs/dbraw/zinc/54/06/32/558540632.db2.gz QZSMUILZAIIQKB-UHFFFAOYSA-N 0 0 422.333 5.070 40 0 HKABRN CC(=O)c1cccc(NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000408622758 558540590 /nfs/dbraw/zinc/54/05/90/558540590.db2.gz RJDKYXYYNGYEJB-JXMROGBWSA-N 0 0 400.261 6.108 40 0 HKABRN CCOc1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 ZINC000408622766 557548724 /nfs/dbraw/zinc/54/87/24/557548724.db2.gz RKFYBMMFEHLUTQ-UHFFFAOYSA-N 0 0 400.272 5.262 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1Cl ZINC000408622779 557548722 /nfs/dbraw/zinc/54/87/22/557548722.db2.gz RNHRCZQAGUBLJM-UHFFFAOYSA-N 0 0 404.853 5.899 40 0 HKABRN Cc1cc2nc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)C)c3)oc2c(C)c1 ZINC000408622868 557548755 /nfs/dbraw/zinc/54/87/55/557548755.db2.gz PZNGDTFUZAQAKB-UHFFFAOYSA-N 0 0 401.919 5.234 40 0 HKABRN COc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1Cl ZINC000408622996 558540623 /nfs/dbraw/zinc/54/06/23/558540623.db2.gz QKOHMBJJJSDBOQ-UHFFFAOYSA-N 0 0 405.306 5.282 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc1OCC ZINC000408623213 557550014 /nfs/dbraw/zinc/55/00/14/557550014.db2.gz RQGHHAZQHUUFMR-UHFFFAOYSA-N 0 0 405.494 6.227 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccc(Br)cc2C(C)C)cc1OCC ZINC000408623229 557549997 /nfs/dbraw/zinc/54/99/97/557549997.db2.gz RTHYOEUKCJFVNU-UHFFFAOYSA-N 0 0 420.347 6.012 40 0 HKABRN O=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Oc2ccccc2)cc1 ZINC000408623236 557549946 /nfs/dbraw/zinc/54/99/46/557549946.db2.gz RUEONIUUIUCVRL-UHFFFAOYSA-N 0 0 409.268 7.277 40 0 HKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408623248 557550015 /nfs/dbraw/zinc/55/00/15/557550015.db2.gz RWFLGAOBIZQOQK-UHFFFAOYSA-N 0 0 407.828 6.784 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1OCC ZINC000408623251 557549983 /nfs/dbraw/zinc/54/99/83/557549983.db2.gz RWKMYZGHGDBNHX-UHFFFAOYSA-N 0 0 406.320 5.587 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc1OC ZINC000408623274 558540651 /nfs/dbraw/zinc/54/06/51/558540651.db2.gz SAFDFJZQEGHQDA-UHFFFAOYSA-N 0 0 405.494 6.227 40 0 HKABRN CCOc1ccccc1N(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 ZINC000408623275 557549987 /nfs/dbraw/zinc/54/99/87/557549987.db2.gz FDFDDWKBUXDAHA-UHFFFAOYSA-N 0 0 419.905 5.273 40 0 HKABRN Cc1cc(Br)ccc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408623286 558540660 /nfs/dbraw/zinc/54/06/60/558540660.db2.gz SCKAWEAVCWQBBT-UHFFFAOYSA-N 0 0 408.654 6.062 40 0 HKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000408623287 557550163 /nfs/dbraw/zinc/55/01/63/557550163.db2.gz SIYFTOYUFXFURP-UHFFFAOYSA-N 0 0 404.691 5.825 40 0 HKABRN CCc1cccc(C)c1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl ZINC000408623300 557550111 /nfs/dbraw/zinc/55/01/11/557550111.db2.gz SPIJXRUWAQOPLL-UHFFFAOYSA-N 0 0 400.733 6.152 40 0 HKABRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccccc2C(C)C)c1Cl ZINC000408623303 557550182 /nfs/dbraw/zinc/55/01/82/557550182.db2.gz SPZHNEYYDLZOIM-UHFFFAOYSA-N 0 0 400.733 6.405 40 0 HKABRN CC(C)c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000408623305 557550172 /nfs/dbraw/zinc/55/01/72/557550172.db2.gz SQCBDYZTWLBNDO-CSKARUKUSA-N 0 0 400.305 7.029 40 0 HKABRN COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1 ZINC000408623346 557550116 /nfs/dbraw/zinc/55/01/16/557550116.db2.gz SVROUNQRHITGEW-UHFFFAOYSA-N 0 0 402.450 5.381 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000408623374 557550155 /nfs/dbraw/zinc/55/01/55/557550155.db2.gz STMPVCOXSSNPRL-UHFFFAOYSA-N 0 0 409.272 5.735 40 0 HKABRN O=C(NCc1ccccc1Cl)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408623379 558540834 /nfs/dbraw/zinc/54/08/34/558540834.db2.gz SUXZHNNOZHWSGA-UHFFFAOYSA-N 0 0 423.299 5.412 40 0 HKABRN CCc1ccc(OCC(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1 ZINC000408623381 557550121 /nfs/dbraw/zinc/55/01/21/557550121.db2.gz TTZNKXFMFDHWOY-UHFFFAOYSA-N 0 0 400.478 5.692 40 0 HKABRN CCOc1cc(C(=O)Nc2c(C)cccc2CC)cc(Br)c1OCC ZINC000408623397 557550151 /nfs/dbraw/zinc/55/01/51/557550151.db2.gz TTYNUGSZLFMFRA-UHFFFAOYSA-N 0 0 406.320 5.370 40 0 HKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1cccc(Cl)c1C ZINC000408623419 558540761 /nfs/dbraw/zinc/54/07/61/558540761.db2.gz UAQBDJWAFLJIJT-UHFFFAOYSA-N 0 0 404.691 5.825 40 0 HKABRN COc1ccc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1OC ZINC000408623423 558540709 /nfs/dbraw/zinc/54/07/09/558540709.db2.gz UBDSZZOIYMIOOM-UHFFFAOYSA-N 0 0 402.450 5.381 40 0 HKABRN NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000408623893 557551954 /nfs/dbraw/zinc/55/19/54/557551954.db2.gz UWKJOQVXEHUHQE-SOFGYWHQSA-N 0 0 401.249 5.004 40 0 HKABRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(OCc2ccccc2)cc1 ZINC000408623925 557552005 /nfs/dbraw/zinc/55/20/05/557552005.db2.gz VHKBDEABMXKCKM-UHFFFAOYSA-N 0 0 405.803 6.190 40 0 HKABRN CC(=O)c1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 ZINC000408623930 558540725 /nfs/dbraw/zinc/54/07/25/558540725.db2.gz VJZYFZHHNIPQLJ-UHFFFAOYSA-N 0 0 400.689 5.484 40 0 HKABRN Cc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1Br ZINC000408623958 558540764 /nfs/dbraw/zinc/54/07/64/558540764.db2.gz VSWGSBBQCQCMJX-UHFFFAOYSA-N 0 0 402.332 5.823 40 0 HKABRN Cc1cccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1C ZINC000408623971 557552033 /nfs/dbraw/zinc/55/20/33/557552033.db2.gz AAZNRMJRFXUGPL-UHFFFAOYSA-N 0 0 402.519 5.906 40 0 HKABRN COc1c(C)cc(Br)cc1C(=O)Nc1nc2c(s1)c(C)ccc2C ZINC000408623986 557552077 /nfs/dbraw/zinc/55/20/77/557552077.db2.gz WCRJCNSURQTSIP-UHFFFAOYSA-N 0 0 405.317 5.245 40 0 HKABRN COc1c(C)cccc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000408624017 558540717 /nfs/dbraw/zinc/54/07/17/558540717.db2.gz WLEHVNXVHKNKJB-UHFFFAOYSA-N 0 0 400.434 5.254 40 0 HKABRN Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000408624051 558540702 /nfs/dbraw/zinc/54/07/02/558540702.db2.gz WWZMOKQYXCLHHR-UHFFFAOYSA-N 0 0 400.434 5.011 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)cc1OC ZINC000408624062 557551986 /nfs/dbraw/zinc/55/19/86/557551986.db2.gz UCCUSSPJOYVBEG-UHFFFAOYSA-N 0 0 421.493 5.927 40 0 HKABRN CC(C)c1ccc(OCC(=O)Nc2nc(-c3cccc4ccccc43)cs2)cc1 ZINC000408624065 558540798 /nfs/dbraw/zinc/54/07/98/558540798.db2.gz XAOHLGMUQNQHRT-UHFFFAOYSA-N 0 0 402.519 6.104 40 0 HKABRN Cc1ccc(Oc2ccc(C(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2)cc1 ZINC000408624074 557552016 /nfs/dbraw/zinc/55/20/16/557552016.db2.gz UDWSSLCZONTTGZ-UHFFFAOYSA-N 0 0 423.295 7.585 40 0 HKABRN CCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1OC ZINC000408624085 558540793 /nfs/dbraw/zinc/54/07/93/558540793.db2.gz UFRUKYZGGNKTEK-UHFFFAOYSA-N 0 0 411.885 6.100 40 0 HKABRN CSc1nc2sc(C(=O)Nc3cc(C)cc(C)c3)cc2c(N2CCCCC2)n1 ZINC000408624101 557551972 /nfs/dbraw/zinc/55/19/72/557551972.db2.gz ULRWSPYOWAYHCP-UHFFFAOYSA-N 0 0 412.584 5.273 40 0 HKABRN Cc1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)cc1Cl ZINC000408624132 557552236 /nfs/dbraw/zinc/55/22/36/557552236.db2.gz UPSOAIMEQUECEG-UHFFFAOYSA-N 0 0 423.299 6.043 40 0 HKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4)c3)nc2c1 ZINC000408624143 557552273 /nfs/dbraw/zinc/55/22/73/557552273.db2.gz BFSYPNQBCYRCSI-UHFFFAOYSA-N 0 0 401.491 5.238 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc1OC ZINC000408624146 558540740 /nfs/dbraw/zinc/54/07/40/558540740.db2.gz URLIVCAVDSQSQD-UHFFFAOYSA-N 0 0 421.493 5.927 40 0 HKABRN Cc1cccc(OCC(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)c1C ZINC000408624147 558540705 /nfs/dbraw/zinc/54/07/05/558540705.db2.gz BGFOILKDBATDNW-UHFFFAOYSA-N 0 0 405.885 5.518 40 0 HKABRN CCc1ccc(NC(=O)c2cc3c(nc(SC)nc3N3CCCCC3)s2)cc1 ZINC000408624155 558540840 /nfs/dbraw/zinc/54/08/40/558540840.db2.gz USBBDZMKJRMLNL-UHFFFAOYSA-N 0 0 412.584 5.218 40 0 HKABRN CCOc1cc(C(=O)Nc2c(C)cccc2C)cc(Cl)c1OCc1ccccc1 ZINC000408624202 557552604 /nfs/dbraw/zinc/55/26/04/557552604.db2.gz UYCYKNFLRVUMLW-UHFFFAOYSA-N 0 0 409.913 6.187 40 0 HKABRN CCCOc1c(Br)cc(C(=O)Nc2c(C)cccc2C)cc1OCC ZINC000408624212 557552531 /nfs/dbraw/zinc/55/25/31/557552531.db2.gz UZKVCNSYJJOYKM-UHFFFAOYSA-N 0 0 406.320 5.506 40 0 HKABRN CN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408624226 558540803 /nfs/dbraw/zinc/54/08/03/558540803.db2.gz VBCJSQQTFVSHDJ-UHFFFAOYSA-N 0 0 402.881 5.101 40 0 HKABRN CCc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000408624257 557552616 /nfs/dbraw/zinc/55/26/16/557552616.db2.gz BWDRPHLGDZDQIG-UHFFFAOYSA-N 0 0 401.944 5.153 40 0 HKABRN COc1ccccc1N(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000408624261 558541013 /nfs/dbraw/zinc/54/10/13/558541013.db2.gz GJCKVDWIAJSETO-UHFFFAOYSA-N 0 0 422.333 5.398 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000408624284 558541025 /nfs/dbraw/zinc/54/10/25/558541025.db2.gz VJCZBYWMZCAXHN-UHFFFAOYSA-N 0 0 401.076 6.813 40 0 HKABRN O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000408624288 558540964 /nfs/dbraw/zinc/54/09/64/558540964.db2.gz GMPLTGKORQLXBW-UHFFFAOYSA-N 0 0 410.297 5.528 40 0 HKABRN Cc1ccccc1Oc1ccc(C(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000408624340 558540985 /nfs/dbraw/zinc/54/09/85/558540985.db2.gz VPAWDZMPNVVFJT-UHFFFAOYSA-N 0 0 423.295 7.585 40 0 HKABRN COc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2ccccc2F)cc1 ZINC000408624358 558541017 /nfs/dbraw/zinc/54/10/17/558541017.db2.gz HDKJPAJPLWMZQF-UHFFFAOYSA-N 0 0 423.868 5.022 40 0 HKABRN CC(C)c1ccccc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000408624427 557553255 /nfs/dbraw/zinc/55/32/55/557553255.db2.gz TWLWWNFIEZVTTL-UHFFFAOYSA-N 0 0 404.535 5.516 40 0 HKABRN CCc1cccc(C)c1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000408624431 558540977 /nfs/dbraw/zinc/54/09/77/558540977.db2.gz TXQUSYFTEDDNQU-UHFFFAOYSA-N 0 0 404.535 5.263 40 0 HKABRN CC(C)c1ccccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000408624483 558540993 /nfs/dbraw/zinc/54/09/93/558540993.db2.gz XFJNSWIOXGPUED-CSKARUKUSA-N 0 0 400.305 7.029 40 0 HKABRN COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)c1 ZINC000408624494 557554222 /nfs/dbraw/zinc/55/42/22/557554222.db2.gz XGRANWHMXAKKJZ-UHFFFAOYSA-N 0 0 402.450 5.381 40 0 HKABRN O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccc2c(Cl)cccc12 ZINC000408624497 558540955 /nfs/dbraw/zinc/54/09/55/558540955.db2.gz XGSDDPWBNRVTKG-UHFFFAOYSA-N 0 0 401.293 5.236 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(OC(C)C)cc4)ccc3o2)c1 ZINC000408624514 558541028 /nfs/dbraw/zinc/54/10/28/558541028.db2.gz XOBYUTAOGVSMNC-UHFFFAOYSA-N 0 0 400.478 6.151 40 0 HKABRN CCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 ZINC000408624528 558540940 /nfs/dbraw/zinc/54/09/40/558540940.db2.gz XQOLKZUGCRKXGL-UHFFFAOYSA-N 0 0 400.434 5.336 40 0 HKABRN O=C(Cc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000408624536 558540962 /nfs/dbraw/zinc/54/09/62/558540962.db2.gz XQYMMHQDCBMXLY-UHFFFAOYSA-N 0 0 404.853 5.520 40 0 HKABRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc3c(Cl)cccc23)c1 ZINC000408624608 558541001 /nfs/dbraw/zinc/54/10/01/558541001.db2.gz YEUXWMCQZZTXNS-UHFFFAOYSA-N 0 0 401.293 6.138 40 0 HKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1c(C)cc(Br)cc1C ZINC000408624619 558541045 /nfs/dbraw/zinc/54/10/45/558541045.db2.gz YFEDOVSCHDBLAI-UHFFFAOYSA-N 0 0 403.103 5.634 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)cc4)ccc3o2)c1 ZINC000408624635 558541020 /nfs/dbraw/zinc/54/10/20/558541020.db2.gz YJZHRAGPMNZMQY-BJMVGYQFSA-N 0 0 402.881 6.417 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 ZINC000408624644 558540935 /nfs/dbraw/zinc/54/09/35/558540935.db2.gz YQRMYPLKAAQQPJ-UHFFFAOYSA-N 0 0 400.434 5.336 40 0 HKABRN CCc1ccc(-c2nc3cc(NC(=O)c4c(OC)cccc4OC)ccc3o2)cc1 ZINC000408624681 558540949 /nfs/dbraw/zinc/54/09/49/558540949.db2.gz YWZHEOXIJQPWHE-UHFFFAOYSA-N 0 0 402.450 5.327 40 0 HKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3c(ccc4ccccc34)o2)CC1 ZINC000408624685 557554512 /nfs/dbraw/zinc/55/45/12/557554512.db2.gz TXDSRCARKQNOEC-UHFFFAOYSA-N 0 0 404.897 5.510 40 0 HKABRN CC(C)COc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000408624712 558540958 /nfs/dbraw/zinc/54/09/58/558540958.db2.gz ZFIKPBGFTDRJON-UHFFFAOYSA-N 0 0 402.494 5.155 40 0 HKABRN CN(C)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000408624756 557552224 /nfs/dbraw/zinc/55/22/24/557552224.db2.gz ZRQGDMMAWDGSHW-FMIVXFBMSA-N 0 0 401.293 5.971 40 0 HKABRN O=C(NC(=S)NCc1ccccc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408624816 557554555 /nfs/dbraw/zinc/55/45/55/557554555.db2.gz CCFAEOJAHJQDNL-UHFFFAOYSA-N 0 0 405.306 5.058 40 0 HKABRN Cc1cc2sc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)nc2c(C)c1 ZINC000408624822 558540988 /nfs/dbraw/zinc/54/09/88/558540988.db2.gz CFGZYRDAOWWZNA-VMPITWQZSA-N 0 0 401.944 5.093 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)c(Cl)c1 ZINC000408624830 558541041 /nfs/dbraw/zinc/54/10/41/558541041.db2.gz CJFOJGUQLYWSCX-HNNXBMFYSA-N 0 0 401.963 5.154 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)c(Cl)c1 ZINC000408624831 557545110 /nfs/dbraw/zinc/54/51/10/557545110.db2.gz CJFOJGUQLYWSCX-OAHLLOKOSA-N 0 0 401.963 5.154 40 0 HKABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)nc21 ZINC000408624833 558540974 /nfs/dbraw/zinc/54/09/74/558540974.db2.gz CJPFURALKXISIT-JXMROGBWSA-N 0 0 401.944 5.093 40 0 HKABRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(OCC(C)C)cc1 ZINC000408624836 558541049 /nfs/dbraw/zinc/54/10/49/558541049.db2.gz CKUNYLXVCWUSNX-UHFFFAOYSA-N 0 0 401.466 5.485 40 0 HKABRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)(C)C)c3)oc2c1 ZINC000408624855 558541036 /nfs/dbraw/zinc/54/10/36/558541036.db2.gz CQKMIOWHDMMPGJ-UHFFFAOYSA-N 0 0 401.919 5.316 40 0 HKABRN CC(C)COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000408624870 558541032 /nfs/dbraw/zinc/54/10/32/558541032.db2.gz CVYDDDSFFAAGLA-UHFFFAOYSA-N 0 0 400.478 5.460 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1OC ZINC000408624873 558541009 /nfs/dbraw/zinc/54/10/09/558541009.db2.gz CXNZSTIYJLLIQK-UHFFFAOYSA-N 0 0 404.491 5.541 40 0 HKABRN CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 ZINC000408624889 557548946 /nfs/dbraw/zinc/54/89/46/557548946.db2.gz DFCSKEWRHLGMQA-UHFFFAOYSA-N 0 0 403.507 5.507 40 0 HKABRN CSc1nc2sc(C(=O)NC3CCCCCCC3)cc2c(N2CCCCC2)n1 ZINC000408624900 557550188 /nfs/dbraw/zinc/55/01/88/557550188.db2.gz VQAAQLHYLHBLBN-UHFFFAOYSA-N 0 0 418.632 5.246 40 0 HKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000408624932 558541162 /nfs/dbraw/zinc/54/11/62/558541162.db2.gz VZLOSWBNJDFLLC-UHFFFAOYSA-N 0 0 424.283 7.298 40 0 HKABRN CCCOc1c(Br)cc(C(=O)Nc2ccc(F)c(C)c2)cc1OCC ZINC000408624954 558541221 /nfs/dbraw/zinc/54/12/21/558541221.db2.gz WFEFMZMTVUNMOD-UHFFFAOYSA-N 0 0 410.283 5.336 40 0 HKABRN CC(C)c1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)cc1 ZINC000408624957 558541229 /nfs/dbraw/zinc/54/12/29/558541229.db2.gz WFHUASODPWRBGL-UHFFFAOYSA-N 0 0 416.908 6.205 40 0 HKABRN CCc1ccccc1NC(=O)c1cc2c(nc(SC)nc2N2CCCCC2)s1 ZINC000408624969 558541227 /nfs/dbraw/zinc/54/12/27/558541227.db2.gz WHWYEFWDSQYFAI-UHFFFAOYSA-N 0 0 412.584 5.218 40 0 HKABRN CCOc1cc(C(=O)Nc2cc(F)ccc2C)cc(Cl)c1OCc1ccccc1 ZINC000408624982 557556124 /nfs/dbraw/zinc/55/61/24/557556124.db2.gz WJYRDEGHSHMOBH-UHFFFAOYSA-N 0 0 413.876 6.018 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc(Br)cc2F)cc(Cl)c1OCC ZINC000408625022 558541200 /nfs/dbraw/zinc/54/12/00/558541200.db2.gz WNKUTBAQFRDESG-UHFFFAOYSA-N 0 0 416.674 5.291 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408625032 557556232 /nfs/dbraw/zinc/55/62/32/557556232.db2.gz WOARUGWONXQIJW-UHFFFAOYSA-N 0 0 409.272 5.735 40 0 HKABRN Cc1cc(C)c(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)c(C)c1 ZINC000408625045 558541224 /nfs/dbraw/zinc/54/12/24/558541224.db2.gz WPOMYDLGLZIXPY-UHFFFAOYSA-N 0 0 416.908 6.006 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000408625118 557556511 /nfs/dbraw/zinc/55/65/11/557556511.db2.gz WVYSQQDHTMZQKD-UHFFFAOYSA-N 0 0 409.913 6.051 40 0 HKABRN O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000408625180 557556533 /nfs/dbraw/zinc/55/65/33/557556533.db2.gz IHSMRGMLUKWPNV-UHFFFAOYSA-N 0 0 410.297 5.528 40 0 HKABRN O=S(=O)(c1ccccc1)N(Cc1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000408625244 557557175 /nfs/dbraw/zinc/55/71/75/557557175.db2.gz IPPPTZIQHKGFRD-UHFFFAOYSA-N 0 0 410.297 5.528 40 0 HKABRN COc1c(C)cccc1C(=O)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl ZINC000408625269 557557306 /nfs/dbraw/zinc/55/73/06/557557306.db2.gz XFDZTTKUTSMLKO-UHFFFAOYSA-N 0 0 403.718 5.091 40 0 HKABRN O=S(=O)(c1ccccc1)N(Cc1c(Cl)cccc1Cl)c1cccc(F)c1 ZINC000408625314 557557532 /nfs/dbraw/zinc/55/75/32/557557532.db2.gz JMPYPUFXBWRFKJ-UHFFFAOYSA-N 0 0 410.297 5.528 40 0 HKABRN CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 ZINC000408625441 558541208 /nfs/dbraw/zinc/54/12/08/558541208.db2.gz YFHMTQHNJQALSQ-UHFFFAOYSA-N 0 0 400.588 5.109 40 0 HKABRN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Cl)c1Cl)C1c3ccccc3C2c2ccccc21 ZINC000408625534 558541185 /nfs/dbraw/zinc/54/11/85/558541185.db2.gz YMBOJZUSEZOMMS-JSRAGOMMSA-N 0 0 420.295 5.390 40 0 HKABRN O=C1[C@H]2[C@H](C(=O)N1c1cccc(Cl)c1Cl)C1c3ccccc3C2c2ccccc21 ZINC000408625542 558541197 /nfs/dbraw/zinc/54/11/97/558541197.db2.gz YMBOJZUSEZOMMS-TZWRJOPASA-N 0 0 420.295 5.390 40 0 HKABRN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1Cl)C1c3ccccc3C2c2ccccc21 ZINC000408625549 558541188 /nfs/dbraw/zinc/54/11/88/558541188.db2.gz YMBOJZUSEZOMMS-ZAYGCWILSA-N 0 0 420.295 5.390 40 0 HKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000408625551 557557937 /nfs/dbraw/zinc/55/79/37/557557937.db2.gz DVXGTLBPPUXRMP-MDWZMJQESA-N 0 0 404.922 6.577 40 0 HKABRN CC(C)c1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000408625564 558541156 /nfs/dbraw/zinc/54/11/56/558541156.db2.gz YOASPJJCJIBNAY-UHFFFAOYSA-N 0 0 404.535 5.516 40 0 HKABRN CC(=O)c1cccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)c1 ZINC000408625613 558541166 /nfs/dbraw/zinc/54/11/66/558541166.db2.gz XQVZIOVSRUQEKY-UHFFFAOYSA-N 0 0 416.864 5.284 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc(F)c(C)c2)cc(Cl)c1OCc1ccccc1 ZINC000408625652 558541218 /nfs/dbraw/zinc/54/12/18/558541218.db2.gz XSVOHPWDVXSGBB-UHFFFAOYSA-N 0 0 413.876 6.018 40 0 HKABRN Cc1nc(-c2ccc(C(=O)Nc3ccc(Br)cc3C(C)C)cc2)cs1 ZINC000408625670 558541222 /nfs/dbraw/zinc/54/12/22/558541222.db2.gz XUOVELIAYWEJRH-UHFFFAOYSA-N 0 0 415.356 6.257 40 0 HKABRN CSc1nc2sc(C(=O)Nc3ccccc3Cl)cc2c(N2CCCCC2)n1 ZINC000408625727 558541175 /nfs/dbraw/zinc/54/11/75/558541175.db2.gz XXHVIXISXVFHDH-UHFFFAOYSA-N 0 0 418.975 5.309 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc1OCC ZINC000408625755 557558088 /nfs/dbraw/zinc/55/80/88/557558088.db2.gz YATFIHXDSNIVIB-UHFFFAOYSA-N 0 0 419.521 6.617 40 0 HKABRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)C(C)C)ccc3Cl)oc2c(C)c1 ZINC000408625818 558541231 /nfs/dbraw/zinc/54/12/31/558541231.db2.gz ZGGXGIDQSPFQDG-UHFFFAOYSA-N 0 0 401.919 5.234 40 0 HKABRN CCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc1OC ZINC000408625819 558541180 /nfs/dbraw/zinc/54/11/80/558541180.db2.gz YGKJNKSJGQUMSW-UHFFFAOYSA-N 0 0 407.466 5.537 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1 ZINC000408625830 557558026 /nfs/dbraw/zinc/55/80/26/557558026.db2.gz FUDCLNQALQLKGG-UHFFFAOYSA-N 0 0 405.885 6.093 40 0 HKABRN CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000408625831 557558119 /nfs/dbraw/zinc/55/81/19/557558119.db2.gz ZHFFGBZPXQBHDX-UHFFFAOYSA-N 0 0 404.535 5.263 40 0 HKABRN COc1ccccc1N(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 ZINC000408625889 557558427 /nfs/dbraw/zinc/55/84/27/557558427.db2.gz JNLFGKCLFSFVBL-UHFFFAOYSA-N 0 0 422.333 5.398 40 0 HKABRN O=C(NCc1ccc(Cl)cc1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408625950 558541170 /nfs/dbraw/zinc/54/11/70/558541170.db2.gz YUXDAHYGVFBAAP-UHFFFAOYSA-N 0 0 423.299 5.412 40 0 HKABRN COc1cccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000408625972 558541233 /nfs/dbraw/zinc/54/12/33/558541233.db2.gz JWSPDERXRFOFOI-UHFFFAOYSA-N 0 0 422.333 5.398 40 0 HKABRN O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)cc1Cl)c1ccccc1F ZINC000408626054 558541394 /nfs/dbraw/zinc/54/13/94/558541394.db2.gz KSKWXBBHESOPGB-UHFFFAOYSA-N 0 0 410.297 5.528 40 0 HKABRN COc1cc(C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OCc1ccccc1 ZINC000408626142 557558602 /nfs/dbraw/zinc/55/86/02/557558602.db2.gz ZHHBLPSZSUNPNB-UHFFFAOYSA-N 0 0 416.304 6.142 40 0 HKABRN O=C(Nc1ccccc1Br)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000408626144 557558514 /nfs/dbraw/zinc/55/85/14/557558514.db2.gz ZHVNJCCLYCRGTR-UHFFFAOYSA-N 0 0 419.278 5.190 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCC ZINC000408626146 557558510 /nfs/dbraw/zinc/55/85/10/557558510.db2.gz ZJVYNFNYMOCYSZ-UHFFFAOYSA-N 0 0 412.711 5.461 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc(Br)cc2C(C)C)cc1OCC ZINC000408626147 557558524 /nfs/dbraw/zinc/55/85/24/557558524.db2.gz ZJWFMQPEFWZVRR-UHFFFAOYSA-N 0 0 406.320 5.622 40 0 HKABRN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408626158 558541403 /nfs/dbraw/zinc/54/14/03/558541403.db2.gz ZPINPIZYHUAVCB-UHFFFAOYSA-N 0 0 407.828 6.784 40 0 HKABRN CCc1cccc(C)c1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408626161 557558547 /nfs/dbraw/zinc/55/85/47/557558547.db2.gz ZSLZIABOTOLRAD-UHFFFAOYSA-N 0 0 416.908 5.952 40 0 HKABRN O=S(=O)(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc2ccccc2c1 ZINC000408626233 557558835 /nfs/dbraw/zinc/55/88/35/557558835.db2.gz VDKVXKNYIZMNSR-UHFFFAOYSA-N 0 0 417.574 6.108 40 0 HKABRN O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408626294 557558977 /nfs/dbraw/zinc/55/89/77/557558977.db2.gz WCMQWMKGACONTB-UHFFFAOYSA-N 0 0 404.775 5.111 40 0 HKABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000408626395 557559442 /nfs/dbraw/zinc/55/94/42/557559442.db2.gz GYUKJKSOAJBNDV-UHFFFAOYSA-N 0 0 401.491 5.184 40 0 HKABRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)/C=C/c1ccco1 ZINC000408626479 558541412 /nfs/dbraw/zinc/54/14/12/558541412.db2.gz HNSJTVFPAGPUNC-DHZHZOJOSA-N 0 0 402.450 5.872 40 0 HKABRN O=C(NCCSCc1c(F)cccc1Cl)c1cc2c(ccc3ccccc23)o1 ZINC000408626493 558541422 /nfs/dbraw/zinc/54/14/22/558541422.db2.gz XJAORYHKMKFMGQ-UHFFFAOYSA-N 0 0 413.901 6.042 40 0 HKABRN C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cccc3ccccc32)cc1 ZINC000408626523 557559563 /nfs/dbraw/zinc/55/95/63/557559563.db2.gz HVESJHCDGDUSCX-KRWDZBQOSA-N 0 0 403.551 5.345 40 0 HKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cccc3ccccc32)cc1 ZINC000408626525 557559588 /nfs/dbraw/zinc/55/95/88/557559588.db2.gz HVESJHCDGDUSCX-QGZVFWFLSA-N 0 0 403.551 5.345 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 ZINC000408626550 557559595 /nfs/dbraw/zinc/55/95/95/557559595.db2.gz ICJFCHDMAFNLDA-UHFFFAOYSA-N 0 0 401.963 5.012 40 0 HKABRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccccc1 ZINC000408626789 557559810 /nfs/dbraw/zinc/55/98/10/557559810.db2.gz IFORHNFMMOQKDK-UHFFFAOYSA-N 0 0 403.532 5.399 40 0 HKABRN CC(C)(C)C(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000408626878 557559961 /nfs/dbraw/zinc/55/99/61/557559961.db2.gz JCEFHIDWMVPPSW-UHFFFAOYSA-N 0 0 403.960 5.476 40 0 HKABRN CCCCOc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)c1 ZINC000408626983 558541359 /nfs/dbraw/zinc/54/13/59/558541359.db2.gz JXKINQRXWUMOAB-UHFFFAOYSA-N 0 0 400.478 5.604 40 0 HKABRN CC(C)c1ccc(OCC(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000408627121 557560188 /nfs/dbraw/zinc/56/01/88/557560188.db2.gz KKSKHCJWWQOTRF-UHFFFAOYSA-N 0 0 400.478 5.313 40 0 HKABRN COc1c(C)cccc1C(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 ZINC000408627123 558541347 /nfs/dbraw/zinc/54/13/47/558541347.db2.gz KLCHTCXHEGXMSY-UHFFFAOYSA-N 0 0 400.478 6.188 40 0 HKABRN CCc1ccc(C(=O)Nc2cc(-c3nc4cc(CC)ccc4o3)ccc2Cl)cc1 ZINC000408627231 557560224 /nfs/dbraw/zinc/56/02/24/557560224.db2.gz LLMOKLWHMFALOI-UHFFFAOYSA-N 0 0 404.897 6.525 40 0 HKABRN COc1cccc(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000408627476 557560880 /nfs/dbraw/zinc/56/08/80/557560880.db2.gz MSGQBWSEFJXFBJ-UHFFFAOYSA-N 0 0 422.333 5.398 40 0 HKABRN CCN(CC)c1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)c(C)c1 ZINC000408627580 557560820 /nfs/dbraw/zinc/56/08/20/557560820.db2.gz LWVQDTIKAQOAPW-MDWZMJQESA-N 0 0 401.963 5.021 40 0 HKABRN O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cccs1 ZINC000408627586 557560894 /nfs/dbraw/zinc/56/08/94/557560894.db2.gz MAGOALXFDBSFAJ-UHFFFAOYSA-N 0 0 405.331 6.584 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1Cl ZINC000408627607 558541355 /nfs/dbraw/zinc/54/13/55/558541355.db2.gz MHQXGQDQOGYRBE-HNNXBMFYSA-N 0 0 401.963 5.154 40 0 HKABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1Cl ZINC000408627608 558541345 /nfs/dbraw/zinc/54/13/45/558541345.db2.gz MHQXGQDQOGYRBE-OAHLLOKOSA-N 0 0 401.963 5.154 40 0 HKABRN O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cccnc1 ZINC000408627615 558541443 /nfs/dbraw/zinc/54/14/43/558541443.db2.gz MLIKVMZCERTBBN-UHFFFAOYSA-N 0 0 400.290 5.917 40 0 HKABRN CCOc1ccccc1N(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000408627652 557561069 /nfs/dbraw/zinc/56/10/69/557561069.db2.gz ODXWXMIPHJWSKL-UHFFFAOYSA-N 0 0 401.915 5.134 40 0 HKABRN COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 ZINC000408627682 557561043 /nfs/dbraw/zinc/56/10/43/557561043.db2.gz OSCDXSPMISGIAN-UHFFFAOYSA-N 0 0 422.333 5.398 40 0 HKABRN O=C(Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1cccc(F)c1 ZINC000408627685 557561006 /nfs/dbraw/zinc/56/10/06/557561006.db2.gz NAOUVXCTBXXCSH-UHFFFAOYSA-N 0 0 401.224 6.193 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1 ZINC000408627715 558541372 /nfs/dbraw/zinc/54/13/72/558541372.db2.gz NFFBYDXBMYPQIT-UHFFFAOYSA-N 0 0 401.466 5.629 40 0 HKABRN CC(C)(C)C(=O)NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1Cl ZINC000408627736 557561000 /nfs/dbraw/zinc/56/10/00/557561000.db2.gz NIMPDADYDGSATM-UHFFFAOYSA-N 0 0 403.960 5.476 40 0 HKABRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)C(Cl)(Cl)Cl)c3)oc2c1 ZINC000408627754 557561021 /nfs/dbraw/zinc/56/10/21/557561021.db2.gz NKDMGDOLYNVGAI-UHFFFAOYSA-N 0 0 404.080 5.765 40 0 HKABRN Cc1c(NC(=S)NC(=O)C(C)(C)C)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000408627808 557561247 /nfs/dbraw/zinc/56/12/47/557561247.db2.gz NXLWHMGBJOWUDH-UHFFFAOYSA-N 0 0 401.919 5.316 40 0 HKABRN CCCCCC(=O)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl ZINC000408627812 557561194 /nfs/dbraw/zinc/56/11/94/557561194.db2.gz NYLHPYNELPTVOT-UHFFFAOYSA-N 0 0 400.935 5.277 40 0 HKABRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4)ccc3o2)c1 ZINC000408627830 557561225 /nfs/dbraw/zinc/56/12/25/557561225.db2.gz ODKRBQGGWOGRAM-UHFFFAOYSA-N 0 0 401.491 5.238 40 0 HKABRN O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000408627841 557561267 /nfs/dbraw/zinc/56/12/67/557561267.db2.gz OIJDFGIVCWNERI-UHFFFAOYSA-N 0 0 404.469 6.092 40 0 HKABRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000408627946 557561466 /nfs/dbraw/zinc/56/14/66/557561466.db2.gz OOXZCPSGKFWNSZ-UHFFFAOYSA-N 0 0 405.457 6.118 40 0 HKABRN O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccc(-c2nc3ccccc3o2)cc1 ZINC000408627959 557561432 /nfs/dbraw/zinc/56/14/32/557561432.db2.gz OTSFWUQDEHPFOP-UHFFFAOYSA-N 0 0 400.522 5.718 40 0 HKABRN COc1ccccc1N(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000408628081 557561419 /nfs/dbraw/zinc/56/14/19/557561419.db2.gz SUDXWJPECFUCBV-UHFFFAOYSA-N 0 0 422.333 5.398 40 0 HKABRN O=S(=O)(c1ccccc1)N(Cc1c(Cl)cccc1Cl)c1ccccc1F ZINC000408628102 558541679 /nfs/dbraw/zinc/54/16/79/558541679.db2.gz UBKFYQHVQXNOBC-UHFFFAOYSA-N 0 0 410.297 5.528 40 0 HKABRN COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc2)cc1 ZINC000408628111 558541631 /nfs/dbraw/zinc/54/16/31/558541631.db2.gz UIAMVLBNFCNRCO-UHFFFAOYSA-N 0 0 422.333 5.398 40 0 HKABRN Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000408628178 557561596 /nfs/dbraw/zinc/56/15/96/557561596.db2.gz QHKWPDPAIFDTQM-UHFFFAOYSA-N 0 0 401.963 5.012 40 0 HKABRN CCCCOc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000408628226 558541720 /nfs/dbraw/zinc/54/17/20/558541720.db2.gz RBTQIRAXBSVVGL-UHFFFAOYSA-N 0 0 400.478 5.604 40 0 HKABRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)(C)C)c3)nc2c1 ZINC000408628228 558541703 /nfs/dbraw/zinc/54/17/03/558541703.db2.gz RCVLTXURYPCPTO-UHFFFAOYSA-N 0 0 401.919 5.316 40 0 HKABRN Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1C ZINC000408628240 558541625 /nfs/dbraw/zinc/54/16/25/558541625.db2.gz RHVYPRZUZFFOTO-UHFFFAOYSA-N 0 0 402.519 5.906 40 0 HKABRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)C(C)(C)C)ccc3Cl)oc2c1 ZINC000408628246 558541717 /nfs/dbraw/zinc/54/17/17/558541717.db2.gz RLIKTIPKZRACRC-UHFFFAOYSA-N 0 0 401.919 5.316 40 0 HKABRN CCOc1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000408628260 558541636 /nfs/dbraw/zinc/54/16/36/558541636.db2.gz VPHFFPVJBXQNPI-UHFFFAOYSA-N 0 0 401.915 5.134 40 0 HKABRN O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 ZINC000408628319 558541629 /nfs/dbraw/zinc/54/16/29/558541629.db2.gz WSKDKJCMJQSDEV-UHFFFAOYSA-N 0 0 410.297 5.528 40 0 HKABRN O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)cc1Cl)c1cccc(F)c1 ZINC000408628334 557562395 /nfs/dbraw/zinc/56/23/95/557562395.db2.gz WYMOAXLXYLBUJF-UHFFFAOYSA-N 0 0 410.297 5.528 40 0 HKABRN CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000408628362 558541676 /nfs/dbraw/zinc/54/16/76/558541676.db2.gz RTRDQSTVLGNGFQ-UHFFFAOYSA-N 0 0 405.882 5.146 40 0 HKABRN CCc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000408628479 557562649 /nfs/dbraw/zinc/56/26/49/557562649.db2.gz UFJAOFZFMXXAQR-UHFFFAOYSA-N 0 0 405.885 5.463 40 0 HKABRN COc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc2)cc1 ZINC000408628500 557562687 /nfs/dbraw/zinc/56/26/87/557562687.db2.gz YEIHGSKKQSBJMG-UHFFFAOYSA-N 0 0 422.333 5.398 40 0 HKABRN O=C(NC(=S)NCc1ccccc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000408628528 557562681 /nfs/dbraw/zinc/56/26/81/557562681.db2.gz UNHNQCVTYSBLIK-UHFFFAOYSA-N 0 0 405.306 5.058 40 0 HKABRN CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000408628561 557562673 /nfs/dbraw/zinc/56/26/73/557562673.db2.gz UUVSXZXYLUCETD-UHFFFAOYSA-N 0 0 403.507 5.507 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 ZINC000408628607 557562804 /nfs/dbraw/zinc/56/28/04/557562804.db2.gz VHRJSJHDMNXCFG-UHFFFAOYSA-N 0 0 403.913 6.433 40 0 HKABRN COc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2cccc(F)c2)cc1 ZINC000408628614 557562816 /nfs/dbraw/zinc/56/28/16/557562816.db2.gz ZLFZSRSOHLMPEP-UHFFFAOYSA-N 0 0 423.868 5.022 40 0 HKABRN Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c1 ZINC000408628617 557562750 /nfs/dbraw/zinc/56/27/50/557562750.db2.gz VJEOGWBXMQJIRW-UHFFFAOYSA-N 0 0 401.963 5.012 40 0 HKABRN Cc1ccc2oc(-c3cc(NC(=S)NC(=O)C(C)(C)C)ccc3Cl)nc2c1 ZINC000408628622 558541707 /nfs/dbraw/zinc/54/17/07/558541707.db2.gz VKOHVIUIADJOTK-UHFFFAOYSA-N 0 0 401.919 5.316 40 0 HKABRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)(C)C)ccc3o2)c(Cl)c1 ZINC000408628696 557562768 /nfs/dbraw/zinc/56/27/68/557562768.db2.gz WDPIJCIBKWTFGW-UHFFFAOYSA-N 0 0 401.919 5.316 40 0 HKABRN O=C(NC(=S)NCc1ccccc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408628704 557562748 /nfs/dbraw/zinc/56/27/48/557562748.db2.gz WFXJWWDNQGKFLU-UHFFFAOYSA-N 0 0 405.306 5.058 40 0 HKABRN CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000408628720 557562796 /nfs/dbraw/zinc/56/27/96/557562796.db2.gz WKRDBQRFLVOHBA-UHFFFAOYSA-N 0 0 402.519 5.852 40 0 HKABRN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000408628728 557562779 /nfs/dbraw/zinc/56/27/79/557562779.db2.gz WOWSHTCNNFZGSL-UHFFFAOYSA-N 0 0 400.853 5.609 40 0 HKABRN C[C@H]1CCCCN1c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000408628798 558541639 /nfs/dbraw/zinc/54/16/39/558541639.db2.gz AMRWRQJZHIINRQ-FQEVSTJZSA-N 0 0 400.522 5.897 40 0 HKABRN C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000408628799 558541657 /nfs/dbraw/zinc/54/16/57/558541657.db2.gz AMRWRQJZHIINRQ-HXUWFJFHSA-N 0 0 400.522 5.897 40 0 HKABRN CC1CCN(c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2Cl)CC1 ZINC000408628813 558541634 /nfs/dbraw/zinc/54/16/34/558541634.db2.gz BFSROHYUHDMVOK-UHFFFAOYSA-N 0 0 400.994 6.121 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)c(Cl)c1 ZINC000408628822 558541659 /nfs/dbraw/zinc/54/16/59/558541659.db2.gz BQSDXPIGILJPRJ-UHFFFAOYSA-N 0 0 403.865 5.983 40 0 HKABRN CC(C)COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 ZINC000408628843 558541644 /nfs/dbraw/zinc/54/16/44/558541644.db2.gz DGVWWUSGJPFYAJ-UHFFFAOYSA-N 0 0 400.950 5.863 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1Br ZINC000408628858 558541690 /nfs/dbraw/zinc/54/16/90/558541690.db2.gz DZEBMTMXLNCMEK-AWEZNQCLSA-N 0 0 403.320 5.089 40 0 HKABRN COc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1Br ZINC000408628859 558541662 /nfs/dbraw/zinc/54/16/62/558541662.db2.gz DZEBMTMXLNCMEK-CQSZACIVSA-N 0 0 403.320 5.089 40 0 HKABRN COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1 ZINC000408628867 558541646 /nfs/dbraw/zinc/54/16/46/558541646.db2.gz FJSJOIRLTCKMMY-AWEZNQCLSA-N 0 0 403.320 5.089 40 0 HKABRN COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 ZINC000408628868 558541669 /nfs/dbraw/zinc/54/16/69/558541669.db2.gz FJSJOIRLTCKMMY-CQSZACIVSA-N 0 0 403.320 5.089 40 0 HKABRN C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc1 ZINC000408628968 557562995 /nfs/dbraw/zinc/56/29/95/557562995.db2.gz YVMWHXFNFXHDIL-KRWDZBQOSA-N 0 0 403.551 5.345 40 0 HKABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc1 ZINC000408628970 558541685 /nfs/dbraw/zinc/54/16/85/558541685.db2.gz YVMWHXFNFXHDIL-QGZVFWFLSA-N 0 0 403.551 5.345 40 0 HKABRN Cc1c(NC(=O)COc2ccc(C(C)C)cc2)cccc1-c1nc2ncccc2o1 ZINC000408628998 558541700 /nfs/dbraw/zinc/54/17/00/558541700.db2.gz ZBRCOSALEHLSFY-UHFFFAOYSA-N 0 0 401.466 5.339 40 0 HKABRN Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)c(Cl)c1 ZINC000408629028 557563028 /nfs/dbraw/zinc/56/30/28/557563028.db2.gz IMLLSGWOXGOIKR-GFCCVEGCSA-N 0 0 404.963 5.212 40 0 HKABRN Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c(Cl)c1 ZINC000408629029 557563018 /nfs/dbraw/zinc/56/30/18/557563018.db2.gz IMLLSGWOXGOIKR-LBPRGKRZSA-N 0 0 404.963 5.212 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)cc1Cl ZINC000408629050 558541653 /nfs/dbraw/zinc/54/16/53/558541653.db2.gz KAGINNIEIKSDQP-UHFFFAOYSA-N 0 0 403.865 5.983 40 0 HKABRN COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000408629056 557563000 /nfs/dbraw/zinc/56/30/00/557563000.db2.gz KGYOWXSTMQQSNE-UHFFFAOYSA-N 0 0 405.837 5.374 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000408629058 558541649 /nfs/dbraw/zinc/54/16/49/558541649.db2.gz KHNWSMFBHLFQSP-JLHYYAGUSA-N 0 0 401.849 5.765 40 0 HKABRN O=C(COc1ccc(Cl)cc1)Nc1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000408629169 557563300 /nfs/dbraw/zinc/56/33/00/557563300.db2.gz NLEYAOOXYOJOJQ-UHFFFAOYSA-N 0 0 405.837 5.131 40 0 HKABRN COc1ccccc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000408629240 557563727 /nfs/dbraw/zinc/56/37/27/557563727.db2.gz RPVIAUJPSIRUJG-UHFFFAOYSA-N 0 0 405.837 5.374 40 0 HKABRN C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000408629242 557563730 /nfs/dbraw/zinc/56/37/30/557563730.db2.gz RQUJJFCJOJVGQR-FQEVSTJZSA-N 0 0 400.522 5.897 40 0 HKABRN C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000408629243 557563696 /nfs/dbraw/zinc/56/36/96/557563696.db2.gz RQUJJFCJOJVGQR-HXUWFJFHSA-N 0 0 400.522 5.897 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 ZINC000408629280 557555477 /nfs/dbraw/zinc/55/54/77/557555477.db2.gz UTXKZMVTSMEWEZ-UHFFFAOYSA-N 0 0 400.950 6.008 40 0 HKABRN CCCCOc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c1 ZINC000408629292 558541855 /nfs/dbraw/zinc/54/18/55/558541855.db2.gz VPBUZEKCHKSDGR-UHFFFAOYSA-N 0 0 400.950 6.008 40 0 HKABRN CC1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2Cl)CC1 ZINC000408629298 557555464 /nfs/dbraw/zinc/55/54/64/557555464.db2.gz VUUQDQTVVGOJRE-UHFFFAOYSA-N 0 0 404.941 6.496 40 0 HKABRN Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1Cl ZINC000408629302 557555500 /nfs/dbraw/zinc/55/55/00/557555500.db2.gz WCPXOOKTZNXDBQ-CYBMUJFWSA-N 0 0 404.963 5.212 40 0 HKABRN Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1Cl ZINC000408629303 557555544 /nfs/dbraw/zinc/55/55/44/557555544.db2.gz WCPXOOKTZNXDBQ-ZDUSSCGKSA-N 0 0 404.963 5.212 40 0 HKABRN CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 ZINC000408629331 557555800 /nfs/dbraw/zinc/55/58/00/557555800.db2.gz XGYNZKUELVZLME-UHFFFAOYSA-N 0 0 400.950 5.717 40 0 HKABRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Cc2ccncc2)cc1 ZINC000408629369 558541845 /nfs/dbraw/zinc/54/18/45/558541845.db2.gz ZOBPRIYFAMJFGP-UHFFFAOYSA-N 0 0 400.522 5.738 40 0 HKABRN COc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1C ZINC000408629854 557564875 /nfs/dbraw/zinc/56/48/75/557564875.db2.gz JCLCTHFPHQFZHK-UHFFFAOYSA-N 0 0 411.567 5.272 40 0 HKABRN O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cc2c(ccc3ccccc23)o1 ZINC000408629937 558541849 /nfs/dbraw/zinc/54/18/49/558541849.db2.gz KSVYHPNWSJHXPV-UHFFFAOYSA-N 0 0 410.429 5.361 40 0 HKABRN CCOC(=O)c1c2c(sc1NC(=O)c1cc3c(ccc4ccccc34)o1)CCCC2 ZINC000408630023 558541915 /nfs/dbraw/zinc/54/19/15/558541915.db2.gz MKCQFQLYBOXVJF-UHFFFAOYSA-N 0 0 419.502 5.955 40 0 HKABRN CCOC(=O)c1c2c(sc1NC(=O)c1cc3c(ccc4ccccc34)o1)CCC2 ZINC000408630107 558541933 /nfs/dbraw/zinc/54/19/33/558541933.db2.gz NSIAWVYSCLLZNX-UHFFFAOYSA-N 0 0 405.475 5.565 40 0 HKABRN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000408630153 557566567 /nfs/dbraw/zinc/56/65/67/557566567.db2.gz OJOXJGXTTLCVHI-UHFFFAOYSA-N 0 0 421.540 7.306 40 0 HKABRN COC(=O)c1c(NC(=O)c2cc3c(ccc4ccccc34)o2)sc2c1CCCC2 ZINC000408630316 558541919 /nfs/dbraw/zinc/54/19/19/558541919.db2.gz ROLCWCWHMPUSND-UHFFFAOYSA-N 0 0 405.475 5.565 40 0 HKABRN CSc1ccccc1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408635573 557602281 /nfs/dbraw/zinc/60/22/81/557602281.db2.gz FCSHNCULVHQODR-UHFFFAOYSA-N 0 0 420.921 5.803 40 0 HKABRN CSc1cccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)c1 ZINC000408635707 558545374 /nfs/dbraw/zinc/54/53/74/558545374.db2.gz HOJKCEPTUFQKQU-UHFFFAOYSA-N 0 0 420.921 5.803 40 0 HKABRN COc1ccc(-c2cnn3c2nc(C)cc3-c2ccc(Br)cc2)cc1OC ZINC000408635816 558545426 /nfs/dbraw/zinc/54/54/26/558545426.db2.gz FPTUHBYOWUFZJQ-UHFFFAOYSA-N 0 0 424.298 5.151 40 0 HKABRN CSc1nc2sc(C(=O)Nc3ccc(F)c(Cl)c3)cc2c(N2CCCC2)n1 ZINC000408636369 557611496 /nfs/dbraw/zinc/61/14/96/557611496.db2.gz PAWFDIGIOJLDKM-UHFFFAOYSA-N 0 0 422.938 5.058 40 0 HKABRN Cc1cc(Cl)ccc1OCc1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000408637318 557612307 /nfs/dbraw/zinc/61/23/07/557612307.db2.gz IJGWGMHDRSBDAG-UHFFFAOYSA-N 0 0 415.729 6.210 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408637522 557612863 /nfs/dbraw/zinc/61/28/63/557612863.db2.gz ACVJJRFIGRCUIH-SECBINFHSA-N 0 0 418.107 5.292 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408637523 557612889 /nfs/dbraw/zinc/61/28/89/557612889.db2.gz ACVJJRFIGRCUIH-VIFPVBQESA-N 0 0 418.107 5.292 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408637593 557613775 /nfs/dbraw/zinc/61/37/75/557613775.db2.gz APXHNKZFBQSSAD-JTQLQIEISA-N 0 0 417.214 5.004 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408637594 558545579 /nfs/dbraw/zinc/54/55/79/558545579.db2.gz APXHNKZFBQSSAD-SNVBAGLBSA-N 0 0 417.214 5.004 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4)C3)cc2)c1 ZINC000408637797 558545968 /nfs/dbraw/zinc/54/59/68/558545968.db2.gz ADIJAUGZLYGIED-IBGZPJMESA-N 0 0 400.478 5.087 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4)C3)cc2)c1 ZINC000408637798 558545901 /nfs/dbraw/zinc/54/59/01/558545901.db2.gz ADIJAUGZLYGIED-LJQANCHMSA-N 0 0 400.478 5.087 40 0 HKABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408638081 557606259 /nfs/dbraw/zinc/60/62/59/557606259.db2.gz BULLPSMCPBTIIT-JTQLQIEISA-N 0 0 417.214 5.004 40 0 HKABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408638083 557606264 /nfs/dbraw/zinc/60/62/64/557606264.db2.gz BULLPSMCPBTIIT-SNVBAGLBSA-N 0 0 417.214 5.004 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)cc2)c1 ZINC000408638158 557606242 /nfs/dbraw/zinc/60/62/42/557606242.db2.gz BMGWFLAFUORADO-KRWDZBQOSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)cc2)c1 ZINC000408638160 557606266 /nfs/dbraw/zinc/60/62/66/557606266.db2.gz BMGWFLAFUORADO-QGZVFWFLSA-N 0 0 420.896 5.432 40 0 HKABRN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408638411 557606366 /nfs/dbraw/zinc/60/63/66/557606366.db2.gz CLMXPTCKVZYXEV-SECBINFHSA-N 0 0 418.107 5.292 40 0 HKABRN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408638413 558545828 /nfs/dbraw/zinc/54/58/28/558545828.db2.gz CLMXPTCKVZYXEV-VIFPVBQESA-N 0 0 418.107 5.292 40 0 HKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000408638484 558545842 /nfs/dbraw/zinc/54/58/42/558545842.db2.gz CPGHSNVRRUHWIS-FQEVSTJZSA-N 0 0 422.484 5.624 40 0 HKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000408638486 558545808 /nfs/dbraw/zinc/54/58/08/558545808.db2.gz CPGHSNVRRUHWIS-HXUWFJFHSA-N 0 0 422.484 5.624 40 0 HKABRN CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(NC(C)=O)cc1 ZINC000408638574 557606383 /nfs/dbraw/zinc/60/63/83/557606383.db2.gz SEQKZTHEQOYRKE-UHFFFAOYSA-N 0 0 421.353 5.523 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408639371 557606983 /nfs/dbraw/zinc/60/69/83/557606983.db2.gz FWEYXKRUTKVEBR-SECBINFHSA-N 0 0 418.107 5.292 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408639373 557607024 /nfs/dbraw/zinc/60/70/24/557607024.db2.gz FWEYXKRUTKVEBR-VIFPVBQESA-N 0 0 418.107 5.292 40 0 HKABRN COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2ccc3ccccc3c2)n[nH]1 ZINC000408639462 558546186 /nfs/dbraw/zinc/54/61/86/558546186.db2.gz XGXTZKGSIYWICF-UHFFFAOYSA-N 0 0 424.913 5.018 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)cc2)cc1 ZINC000408639647 557607179 /nfs/dbraw/zinc/60/71/79/557607179.db2.gz GNLCJAJGPHJUBC-IBGZPJMESA-N 0 0 400.478 5.087 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4C)C3)cc2)cc1 ZINC000408639648 557607226 /nfs/dbraw/zinc/60/72/26/557607226.db2.gz GNLCJAJGPHJUBC-LJQANCHMSA-N 0 0 400.478 5.087 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc2)cc1 ZINC000408639713 558546098 /nfs/dbraw/zinc/54/60/98/558546098.db2.gz HEUKATQIPDWMRJ-KRWDZBQOSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc2)cc1 ZINC000408639714 558546142 /nfs/dbraw/zinc/54/61/42/558546142.db2.gz HEUKATQIPDWMRJ-QGZVFWFLSA-N 0 0 420.896 5.432 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408639872 558546104 /nfs/dbraw/zinc/54/61/04/558546104.db2.gz GLQYHYACNOUIHG-SECBINFHSA-N 0 0 418.107 5.292 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408639873 558546067 /nfs/dbraw/zinc/54/60/67/558546067.db2.gz GLQYHYACNOUIHG-VIFPVBQESA-N 0 0 418.107 5.292 40 0 HKABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O ZINC000408640294 558546176 /nfs/dbraw/zinc/54/61/76/558546176.db2.gz IPWIUEYXWFLTMJ-HNNXBMFYSA-N 0 0 405.325 5.110 40 0 HKABRN CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O ZINC000408640295 558546179 /nfs/dbraw/zinc/54/61/79/558546179.db2.gz IPWIUEYXWFLTMJ-OAHLLOKOSA-N 0 0 405.325 5.110 40 0 HKABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC000408640489 558546447 /nfs/dbraw/zinc/54/64/47/558546447.db2.gz IYDGBXFZZUCHES-HNNXBMFYSA-N 0 0 405.325 5.110 40 0 HKABRN CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC000408640491 558546325 /nfs/dbraw/zinc/54/63/25/558546325.db2.gz IYDGBXFZZUCHES-OAHLLOKOSA-N 0 0 405.325 5.110 40 0 HKABRN Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)c1 ZINC000408640492 558546273 /nfs/dbraw/zinc/54/62/73/558546273.db2.gz IYMMCBCZUZSFIE-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)c1 ZINC000408640494 557607816 /nfs/dbraw/zinc/60/78/16/557607816.db2.gz IYMMCBCZUZSFIE-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)c1C ZINC000408640866 558546436 /nfs/dbraw/zinc/54/64/36/558546436.db2.gz KAXFBPJCXASWTO-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)c1C ZINC000408640867 558546328 /nfs/dbraw/zinc/54/63/28/558546328.db2.gz KAXFBPJCXASWTO-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)c(C)c1 ZINC000408640912 557608268 /nfs/dbraw/zinc/60/82/68/557608268.db2.gz KJKXEKJDNAFYMD-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)c(C)c1 ZINC000408640913 557608230 /nfs/dbraw/zinc/60/82/30/557608230.db2.gz KJKXEKJDNAFYMD-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)c1 ZINC000408641488 557609983 /nfs/dbraw/zinc/60/99/83/557609983.db2.gz LXMWSQPIRAZGPI-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)c1 ZINC000408641489 558546703 /nfs/dbraw/zinc/54/67/03/558546703.db2.gz LXMWSQPIRAZGPI-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408641642 557610071 /nfs/dbraw/zinc/61/00/71/557610071.db2.gz KUBTVDWVXUXFGY-JTQLQIEISA-N 0 0 417.214 5.004 40 0 HKABRN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408641644 558546594 /nfs/dbraw/zinc/54/65/94/558546594.db2.gz KUBTVDWVXUXFGY-SNVBAGLBSA-N 0 0 417.214 5.004 40 0 HKABRN Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)c1 ZINC000408641766 557610087 /nfs/dbraw/zinc/61/00/87/557610087.db2.gz MSOUPPYSJQZPCI-IBGZPJMESA-N 0 0 400.478 5.087 40 0 HKABRN Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)c1 ZINC000408641767 557610104 /nfs/dbraw/zinc/61/01/04/557610104.db2.gz MSOUPPYSJQZPCI-LJQANCHMSA-N 0 0 400.478 5.087 40 0 HKABRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000408641996 558546701 /nfs/dbraw/zinc/54/67/01/558546701.db2.gz LVUXIECKNAAUQO-HNNXBMFYSA-N 0 0 424.859 5.263 40 0 HKABRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000408641997 558546672 /nfs/dbraw/zinc/54/66/72/558546672.db2.gz LVUXIECKNAAUQO-OAHLLOKOSA-N 0 0 424.859 5.263 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4c(C)cccc4C)C3)cc2)cc1 ZINC000408642044 557610476 /nfs/dbraw/zinc/61/04/76/557610476.db2.gz NGVQMGCGCYIDDN-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4c(C)cccc4C)C3)cc2)cc1 ZINC000408642045 558546961 /nfs/dbraw/zinc/54/69/61/558546961.db2.gz NGVQMGCGCYIDDN-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O ZINC000408642088 557610572 /nfs/dbraw/zinc/61/05/72/557610572.db2.gz NSQIECXHMUQMIV-HNNXBMFYSA-N 0 0 405.325 5.110 40 0 HKABRN CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O ZINC000408642089 558546988 /nfs/dbraw/zinc/54/69/88/558546988.db2.gz NSQIECXHMUQMIV-OAHLLOKOSA-N 0 0 405.325 5.110 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)c1C ZINC000408642262 557610616 /nfs/dbraw/zinc/61/06/16/557610616.db2.gz MOGQFBZKVCCGBJ-GOSISDBHSA-N 0 0 418.468 5.226 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)c1C ZINC000408642263 558546954 /nfs/dbraw/zinc/54/69/54/558546954.db2.gz MOGQFBZKVCCGBJ-SFHVURJKSA-N 0 0 418.468 5.226 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)cc2)c1 ZINC000408642317 558546967 /nfs/dbraw/zinc/54/69/67/558546967.db2.gz OAHKVQOCHOWVBX-IBGZPJMESA-N 0 0 400.478 5.087 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4C)C3)cc2)c1 ZINC000408642318 558546860 /nfs/dbraw/zinc/54/68/60/558546860.db2.gz OAHKVQOCHOWVBX-LJQANCHMSA-N 0 0 400.478 5.087 40 0 HKABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC000408642559 557616363 /nfs/dbraw/zinc/61/63/63/557616363.db2.gz OZCRFNPHBGFXHA-HNNXBMFYSA-N 0 0 405.325 5.110 40 0 HKABRN CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC000408642560 558546884 /nfs/dbraw/zinc/54/68/84/558546884.db2.gz OZCRFNPHBGFXHA-OAHLLOKOSA-N 0 0 405.325 5.110 40 0 HKABRN Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 ZINC000408642702 557616585 /nfs/dbraw/zinc/61/65/85/557616585.db2.gz PNVCHMYHFGXWOE-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 ZINC000408642703 558546891 /nfs/dbraw/zinc/54/68/91/558546891.db2.gz PNVCHMYHFGXWOE-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000408642895 557617000 /nfs/dbraw/zinc/61/70/00/557617000.db2.gz OFJYNWWBGVORCY-NRFANRHFSA-N 0 0 422.484 5.624 40 0 HKABRN O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000408642896 558546838 /nfs/dbraw/zinc/54/68/38/558546838.db2.gz OFJYNWWBGVORCY-OAQYLSRUSA-N 0 0 422.484 5.624 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)cc2)c1 ZINC000408642933 557617007 /nfs/dbraw/zinc/61/70/07/557617007.db2.gz PTTYCRGOTIAVMC-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)cc2)c1 ZINC000408642935 558546957 /nfs/dbraw/zinc/54/69/57/558546957.db2.gz PTTYCRGOTIAVMC-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)c1 ZINC000408643252 558546975 /nfs/dbraw/zinc/54/69/75/558546975.db2.gz QVQSPHMARAKDDU-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)c1 ZINC000408643253 557617368 /nfs/dbraw/zinc/61/73/68/557617368.db2.gz QVQSPHMARAKDDU-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C)cc3C)c3ccccc3n2)cc1 ZINC000408643521 558546902 /nfs/dbraw/zinc/54/69/02/558546902.db2.gz BKPIKXYAQOYAGQ-UHFFFAOYSA-N 0 0 424.500 5.623 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408643876 558546912 /nfs/dbraw/zinc/54/69/12/558546912.db2.gz RZFUVUORFRLASZ-SECBINFHSA-N 0 0 418.107 5.292 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408643884 558547058 /nfs/dbraw/zinc/54/70/58/558547058.db2.gz RZFUVUORFRLASZ-VIFPVBQESA-N 0 0 418.107 5.292 40 0 HKABRN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C)c(C)c3)c3ccccc3n2)cc1 ZINC000408644006 558547069 /nfs/dbraw/zinc/54/70/69/558547069.db2.gz DCOONIUKOJBQSA-UHFFFAOYSA-N 0 0 424.500 5.623 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4C)C3)cc2)cc1 ZINC000408644218 558547159 /nfs/dbraw/zinc/54/71/59/558547159.db2.gz SBDVAWLMDWSBCF-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4C)C3)cc2)cc1 ZINC000408644219 557618325 /nfs/dbraw/zinc/61/83/25/557618325.db2.gz SBDVAWLMDWSBCF-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc2)c1 ZINC000408644296 557618310 /nfs/dbraw/zinc/61/83/10/557618310.db2.gz SJGBZMHKDGAQCO-KRWDZBQOSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc2)c1 ZINC000408644298 558547074 /nfs/dbraw/zinc/54/70/74/558547074.db2.gz SJGBZMHKDGAQCO-QGZVFWFLSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)cc1 ZINC000408644833 558547121 /nfs/dbraw/zinc/54/71/21/558547121.db2.gz RXWJIWNYYSXBOD-FQEVSTJZSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)cc1 ZINC000408644837 557619222 /nfs/dbraw/zinc/61/92/22/557619222.db2.gz RXWJIWNYYSXBOD-HXUWFJFHSA-N 0 0 414.505 5.396 40 0 HKABRN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(C)cc(C)c3)c3ccccc3n2)cc1 ZINC000408645876 558545676 /nfs/dbraw/zinc/54/56/76/558545676.db2.gz MBSDXJWONLTBOJ-UHFFFAOYSA-N 0 0 424.500 5.623 40 0 HKABRN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc(C)c3C)c3ccccc3n2)cc1 ZINC000408646067 557615226 /nfs/dbraw/zinc/61/52/26/557615226.db2.gz NQWOXZKUMXUFBE-UHFFFAOYSA-N 0 0 424.500 5.623 40 0 HKABRN Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O ZINC000408646159 558549345 /nfs/dbraw/zinc/54/93/45/558549345.db2.gz VQVWUESQXHHAJG-KRWDZBQOSA-N 0 0 420.896 5.432 40 0 HKABRN Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O ZINC000408646161 558549266 /nfs/dbraw/zinc/54/92/66/558549266.db2.gz VQVWUESQXHHAJG-QGZVFWFLSA-N 0 0 420.896 5.432 40 0 HKABRN O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408646193 558549260 /nfs/dbraw/zinc/54/92/60/558549260.db2.gz VTENZPGPOBNRLD-JTQLQIEISA-N 0 0 417.214 5.004 40 0 HKABRN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408646194 558549293 /nfs/dbraw/zinc/54/92/93/558549293.db2.gz VTENZPGPOBNRLD-SNVBAGLBSA-N 0 0 417.214 5.004 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)cc2)c1C ZINC000408646665 558550032 /nfs/dbraw/zinc/55/00/32/558550032.db2.gz UBEWEXDNUCHJGZ-NRFANRHFSA-N 0 0 414.505 5.083 40 0 HKABRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc2)c1C ZINC000408646667 558549918 /nfs/dbraw/zinc/54/99/18/558549918.db2.gz UBEWEXDNUCHJGZ-OAQYLSRUSA-N 0 0 414.505 5.083 40 0 HKABRN CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408646764 558550640 /nfs/dbraw/zinc/55/06/40/558550640.db2.gz WHYRHHIVBCWEAB-HNNXBMFYSA-N 0 0 405.325 5.110 40 0 HKABRN CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408646765 558550667 /nfs/dbraw/zinc/55/06/67/558550667.db2.gz WHYRHHIVBCWEAB-OAHLLOKOSA-N 0 0 405.325 5.110 40 0 HKABRN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3c(C)cccc3C)c3ccccc3n2)cc1 ZINC000408648656 558548466 /nfs/dbraw/zinc/54/84/66/558548466.db2.gz XSQLNIAVXRESAB-UHFFFAOYSA-N 0 0 424.500 5.623 40 0 HKABRN CCc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000408648665 558548582 /nfs/dbraw/zinc/54/85/82/558548582.db2.gz XXPUUTLTSYGEBG-UHFFFAOYSA-N 0 0 424.500 5.568 40 0 HKABRN Cc1cc(C)cc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000408648674 557628875 /nfs/dbraw/zinc/62/88/75/557628875.db2.gz XZJUCHDPNCYTFF-UHFFFAOYSA-N 0 0 410.473 5.314 40 0 HKABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408649081 557620391 /nfs/dbraw/zinc/62/03/91/557620391.db2.gz ZJIMLWBOJZWARG-JTQLQIEISA-N 0 0 417.214 5.004 40 0 HKABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408649083 557620493 /nfs/dbraw/zinc/62/04/93/557620493.db2.gz ZJIMLWBOJZWARG-SNVBAGLBSA-N 0 0 417.214 5.004 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408649302 557620476 /nfs/dbraw/zinc/62/04/76/557620476.db2.gz XPRPFKNVLWBAHV-SECBINFHSA-N 0 0 418.107 5.292 40 0 HKABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408649305 557620577 /nfs/dbraw/zinc/62/05/77/557620577.db2.gz XPRPFKNVLWBAHV-VIFPVBQESA-N 0 0 418.107 5.292 40 0 HKABRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000408649340 558548688 /nfs/dbraw/zinc/54/86/88/558548688.db2.gz XTIMMZZLFINEHG-INIZCTEOSA-N 0 0 406.869 5.124 40 0 HKABRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000408649341 558548625 /nfs/dbraw/zinc/54/86/25/558548625.db2.gz XTIMMZZLFINEHG-MRXNPFEDSA-N 0 0 406.869 5.124 40 0 HKABRN Cc1c(Cl)cccc1N1C[C@H](C(=O)Oc2ccccc2-c2ccccc2)CC1=O ZINC000408649768 557622372 /nfs/dbraw/zinc/62/23/72/557622372.db2.gz AGPFVIGMGBVUDN-GOSISDBHSA-N 0 0 405.881 5.274 40 0 HKABRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)Oc2ccccc2-c2ccccc2)CC1=O ZINC000408649770 557622321 /nfs/dbraw/zinc/62/23/21/557622321.db2.gz AGPFVIGMGBVUDN-SFHVURJKSA-N 0 0 405.881 5.274 40 0 HKABRN CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1=O ZINC000408650179 558548600 /nfs/dbraw/zinc/54/86/00/558548600.db2.gz ZSEIVWCOLDZPKG-FQEVSTJZSA-N 0 0 414.505 5.341 40 0 HKABRN CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1=O ZINC000408650180 558548524 /nfs/dbraw/zinc/54/85/24/558548524.db2.gz ZSEIVWCOLDZPKG-HXUWFJFHSA-N 0 0 414.505 5.341 40 0 HKABRN Cc1ccc(N2C[C@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)cc1Cl ZINC000408651391 558548670 /nfs/dbraw/zinc/54/86/70/558548670.db2.gz CHRGSDOSEKXBPC-GOSISDBHSA-N 0 0 405.881 5.274 40 0 HKABRN Cc1ccc(N2C[C@@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)cc1Cl ZINC000408651393 558548613 /nfs/dbraw/zinc/54/86/13/558548613.db2.gz CHRGSDOSEKXBPC-SFHVURJKSA-N 0 0 405.881 5.274 40 0 HKABRN O=C(Oc1ccc(Cc2ccccc2)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000408657019 557640171 /nfs/dbraw/zinc/64/01/71/557640171.db2.gz IEYKPDAFNRGACL-HSZRJFAPSA-N 0 0 421.496 5.389 40 0 HKABRN O=C(Oc1ccc(Cc2ccccc2)cc1)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000408657022 557640251 /nfs/dbraw/zinc/64/02/51/557640251.db2.gz IEYKPDAFNRGACL-QHCPKHFHSA-N 0 0 421.496 5.389 40 0 HKABRN O=C(Oc1ccc2ccccc2c1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408657695 557640830 /nfs/dbraw/zinc/64/08/30/557640830.db2.gz IWCLHYKEEBLAPS-HNNXBMFYSA-N 0 0 400.261 5.105 40 0 HKABRN O=C(Oc1ccc2ccccc2c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408657696 558557185 /nfs/dbraw/zinc/55/71/85/558557185.db2.gz IWCLHYKEEBLAPS-OAHLLOKOSA-N 0 0 400.261 5.105 40 0 HKABRN CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccccc2-c2ccccc2)CC1=O ZINC000408659945 558560224 /nfs/dbraw/zinc/56/02/24/558560224.db2.gz LAKHGJDQBKYVDQ-JOCHJYFZSA-N 0 0 413.517 5.437 40 0 HKABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccccc2-c2ccccc2)CC1=O ZINC000408659949 558560429 /nfs/dbraw/zinc/56/04/29/558560429.db2.gz LAKHGJDQBKYVDQ-QFIPXVFZSA-N 0 0 413.517 5.437 40 0 HKABRN CC[C@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408662137 558560668 /nfs/dbraw/zinc/56/06/68/558560668.db2.gz MQVHYSNNEMHWQK-KBPBESRZSA-N 0 0 406.309 5.465 40 0 HKABRN CC[C@@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408662138 558560681 /nfs/dbraw/zinc/56/06/81/558560681.db2.gz MQVHYSNNEMHWQK-KGLIPLIRSA-N 0 0 406.309 5.465 40 0 HKABRN CC[C@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408662140 558560707 /nfs/dbraw/zinc/56/07/07/558560707.db2.gz MQVHYSNNEMHWQK-UONOGXRCSA-N 0 0 406.309 5.465 40 0 HKABRN CC[C@@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000408662142 558560710 /nfs/dbraw/zinc/56/07/10/558560710.db2.gz MQVHYSNNEMHWQK-ZIAGYGMSSA-N 0 0 406.309 5.465 40 0 HKABRN CCc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000408663659 557645817 /nfs/dbraw/zinc/64/58/17/557645817.db2.gz AZHBIUFIYWJXTP-UHFFFAOYSA-N 0 0 424.500 5.568 40 0 HKABRN O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408664567 558559174 /nfs/dbraw/zinc/55/91/74/558559174.db2.gz CIAWTPWQJCCZGP-UHFFFAOYSA-N 0 0 416.260 5.581 40 0 HKABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccc(C(C)(C)CC)cc2)CC1=O ZINC000408665188 558559181 /nfs/dbraw/zinc/55/91/81/558559181.db2.gz OODALVHYZAMYRI-FQEVSTJZSA-N 0 0 407.554 5.458 40 0 HKABRN CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(C(C)(C)CC)cc2)CC1=O ZINC000408665189 558559168 /nfs/dbraw/zinc/55/91/68/558559168.db2.gz OODALVHYZAMYRI-HXUWFJFHSA-N 0 0 407.554 5.458 40 0 HKABRN O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cccc(Cl)c1Cl ZINC000408666185 557651362 /nfs/dbraw/zinc/65/13/62/557651362.db2.gz GOWLPRZZXBRJLK-UHFFFAOYSA-N 0 0 416.260 5.581 40 0 HKABRN O=C(Nc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1)c1ccncc1 ZINC000408667623 557656829 /nfs/dbraw/zinc/65/68/29/557656829.db2.gz BTJHHJONCWXDDK-UHFFFAOYSA-N 0 0 423.472 5.165 40 0 HKABRN Nc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2)c1 ZINC000408668078 558559651 /nfs/dbraw/zinc/55/96/51/558559651.db2.gz CLAKWNNUYOTUTO-UHFFFAOYSA-N 0 0 423.472 5.566 40 0 HKABRN Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc(C)c3)c2C)cc1 ZINC000408668382 557653907 /nfs/dbraw/zinc/65/39/07/557653907.db2.gz KVDZYUSDMRWBOO-UHFFFAOYSA-N 0 0 424.500 5.623 40 0 HKABRN O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(Cl)cc1Cl ZINC000408668502 558559679 /nfs/dbraw/zinc/55/96/79/558559679.db2.gz LUZOXLKFRCRKSV-UHFFFAOYSA-N 0 0 416.260 5.581 40 0 HKABRN O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cc(Cl)ccc1Cl ZINC000408668530 558559700 /nfs/dbraw/zinc/55/97/00/558559700.db2.gz MAWJDLQARYESRS-UHFFFAOYSA-N 0 0 416.260 5.581 40 0 HKABRN COc1ccccc1NC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1 ZINC000408668758 558559715 /nfs/dbraw/zinc/55/97/15/558559715.db2.gz FDEDDTUVWRFDCW-UHFFFAOYSA-N 0 0 422.484 5.926 40 0 HKABRN O=C(Oc1ccc(-c2ccccc2)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000408668786 558559768 /nfs/dbraw/zinc/55/97/68/558559768.db2.gz RBRGNPYIMPNIOS-JOCHJYFZSA-N 0 0 407.469 5.465 40 0 HKABRN O=C(Oc1ccc(-c2ccccc2)cc1)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000408668790 558559704 /nfs/dbraw/zinc/55/97/04/558559704.db2.gz RBRGNPYIMPNIOS-QFIPXVFZSA-N 0 0 407.469 5.465 40 0 HKABRN Nc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000408670302 558560846 /nfs/dbraw/zinc/56/08/46/558560846.db2.gz IMEODCJRURENQT-UHFFFAOYSA-N 0 0 423.472 5.566 40 0 HKABRN Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2)cc1 ZINC000408671311 558560902 /nfs/dbraw/zinc/56/09/02/558560902.db2.gz KJDCWYYHVVEISI-UHFFFAOYSA-N 0 0 423.472 5.566 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4ccccc4)c3)cc2)cc1 ZINC000408671810 558560896 /nfs/dbraw/zinc/56/08/96/558560896.db2.gz LHBRWZAORQSPSR-UHFFFAOYSA-N 0 0 422.484 6.292 40 0 HKABRN Cc1ccc(NC(=O)COC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000408671813 558560961 /nfs/dbraw/zinc/56/09/61/558560961.db2.gz UXIDQCPHXIVHGP-UHFFFAOYSA-N 0 0 424.500 5.623 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3ccccc3)cc2)cc1 ZINC000408672264 558560936 /nfs/dbraw/zinc/56/09/36/558560936.db2.gz NCXDABNFXKKJGN-UHFFFAOYSA-N 0 0 422.484 6.292 40 0 HKABRN O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(Oc2ccccc2)cc1 ZINC000408672367 558561173 /nfs/dbraw/zinc/56/11/73/558561173.db2.gz WCYPGKHAVWWCJB-UHFFFAOYSA-N 0 0 416.260 5.581 40 0 HKABRN Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2)cc1 ZINC000408672568 557669252 /nfs/dbraw/zinc/66/92/52/557669252.db2.gz NXHSIEPDXLIYFE-UHFFFAOYSA-N 0 0 422.484 6.292 40 0 HKABRN Nc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000408672915 558561182 /nfs/dbraw/zinc/56/11/82/558561182.db2.gz PFRLKCKVPLNAEF-UHFFFAOYSA-N 0 0 423.472 5.566 40 0 HKABRN Cc1ccc(C(C)C)c(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 ZINC000408673003 557667973 /nfs/dbraw/zinc/66/79/73/557667973.db2.gz WBTJWDFSNGQMMW-AWEZNQCLSA-N 0 0 406.309 5.384 40 0 HKABRN Cc1ccc(C(C)C)c(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 ZINC000408673004 557667945 /nfs/dbraw/zinc/66/79/45/557667945.db2.gz WBTJWDFSNGQMMW-CQSZACIVSA-N 0 0 406.309 5.384 40 0 HKABRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)Oc2ccc(Cc3ccccc3)cc2)CC1=O ZINC000408673098 558561110 /nfs/dbraw/zinc/56/11/10/558561110.db2.gz WLBVPRZVINGKHO-FQEVSTJZSA-N 0 0 419.908 5.198 40 0 HKABRN Cc1c(Cl)cccc1N1C[C@H](C(=O)Oc2ccc(Cc3ccccc3)cc2)CC1=O ZINC000408673101 558561218 /nfs/dbraw/zinc/56/12/18/558561218.db2.gz WLBVPRZVINGKHO-HXUWFJFHSA-N 0 0 419.908 5.198 40 0 HKABRN Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000408673767 558561198 /nfs/dbraw/zinc/56/11/98/558561198.db2.gz VAGKYTAQLXNIPR-UHFFFAOYSA-N 0 0 423.472 5.566 40 0 HKABRN Cc1ccccc1N1C[C@@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O ZINC000408673984 558561125 /nfs/dbraw/zinc/56/11/25/558561125.db2.gz YDNVBSFBFVEZEN-FQEVSTJZSA-N 0 0 413.517 5.279 40 0 HKABRN Cc1ccccc1N1C[C@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O ZINC000408673986 558561214 /nfs/dbraw/zinc/56/12/14/558561214.db2.gz YDNVBSFBFVEZEN-HXUWFJFHSA-N 0 0 413.517 5.279 40 0 HKABRN Nc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)c1 ZINC000408674231 558561106 /nfs/dbraw/zinc/56/11/06/558561106.db2.gz YOKZKJOMAYMZLP-UHFFFAOYSA-N 0 0 423.472 5.566 40 0 HKABRN COc1ccc(NC(=O)c2ccccc2C(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000408674403 558561168 /nfs/dbraw/zinc/56/11/68/558561168.db2.gz ZULGCLFMFUSTOS-UHFFFAOYSA-N 0 0 422.484 5.926 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000408674562 557674172 /nfs/dbraw/zinc/67/41/72/557674172.db2.gz ADKPCXJIJCISNF-UHFFFAOYSA-N 0 0 412.489 5.560 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408674693 558561164 /nfs/dbraw/zinc/56/11/64/558561164.db2.gz BHPDNMPMMDPSPX-UHFFFAOYSA-N 0 0 406.844 5.529 40 0 HKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000408674703 558561148 /nfs/dbraw/zinc/56/11/48/558561148.db2.gz BKIUZSROOUDMEU-UHFFFAOYSA-N 0 0 423.299 6.043 40 0 HKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2CC)cc1 ZINC000408674723 558561178 /nfs/dbraw/zinc/56/11/78/558561178.db2.gz BPTAUUBIZQLKMX-UHFFFAOYSA-N 0 0 412.489 5.389 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(SC)c2)cc1 ZINC000408674732 558561225 /nfs/dbraw/zinc/56/12/25/558561225.db2.gz BRKBWAUGXOTKGM-UHFFFAOYSA-N 0 0 416.502 5.158 40 0 HKABRN CCc1cccc(CC)c1NC(=O)C(=O)c1c(-c2ccc(C)cc2)cc2ccccn21 ZINC000408674746 557674576 /nfs/dbraw/zinc/67/45/76/557674576.db2.gz BYWOEACHHCZDPF-UHFFFAOYSA-N 0 0 410.517 5.861 40 0 HKABRN Cc1ccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn32)cc1Cl ZINC000408674771 558561204 /nfs/dbraw/zinc/56/12/04/558561204.db2.gz CIZPBFUWZZIFBO-UHFFFAOYSA-N 0 0 406.844 5.529 40 0 HKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(F)cc2F)cc1 ZINC000408674779 558561212 /nfs/dbraw/zinc/56/12/12/558561212.db2.gz CMCXOMLSYDRBMD-UHFFFAOYSA-N 0 0 420.415 5.105 40 0 HKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000408674812 558561406 /nfs/dbraw/zinc/56/14/06/558561406.db2.gz CTRUMBZHLPKLQW-UHFFFAOYSA-N 0 0 422.406 5.755 40 0 HKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCCCC2)cc1 ZINC000408674847 558561257 /nfs/dbraw/zinc/56/12/57/558561257.db2.gz DCDFEMKCMGTTDJ-UHFFFAOYSA-N 0 0 404.510 5.027 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000408674857 558561290 /nfs/dbraw/zinc/56/12/90/558561290.db2.gz DJEKZIZXDWOGCF-UHFFFAOYSA-N 0 0 422.843 5.229 40 0 HKABRN COc1ccc(NC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn32)cc1Cl ZINC000408674876 558561403 /nfs/dbraw/zinc/56/14/03/558561403.db2.gz DNYRGHIJDIZDRQ-UHFFFAOYSA-N 0 0 418.880 5.398 40 0 HKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(CC)cc2)cc1 ZINC000408674879 558561374 /nfs/dbraw/zinc/56/13/74/558561374.db2.gz DOBHROIWDDCBFS-UHFFFAOYSA-N 0 0 412.489 5.389 40 0 HKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000408674893 558561391 /nfs/dbraw/zinc/56/13/91/558561391.db2.gz DSXFDOCBUAPTNN-UHFFFAOYSA-N 0 0 423.299 6.043 40 0 HKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000408674905 557675229 /nfs/dbraw/zinc/67/52/29/557675229.db2.gz DUVIRHPBLCHMOB-UHFFFAOYSA-N 0 0 412.489 5.443 40 0 HKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCCCCC2)cc1 ZINC000408674915 557675236 /nfs/dbraw/zinc/67/52/36/557675236.db2.gz DXEDMZIHHTWIGF-UHFFFAOYSA-N 0 0 418.537 5.417 40 0 HKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000408674949 557675228 /nfs/dbraw/zinc/67/52/28/557675228.db2.gz FJNXCMMTIISMCO-UHFFFAOYSA-N 0 0 418.880 5.480 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000408674954 557675207 /nfs/dbraw/zinc/67/52/07/557675207.db2.gz FJWRELAAVUSSBR-UHFFFAOYSA-N 0 0 404.853 5.090 40 0 HKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000408674958 558561318 /nfs/dbraw/zinc/56/13/18/558561318.db2.gz FKGFXTLVAAPRRI-UHFFFAOYSA-N 0 0 412.489 5.443 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000408674964 558561252 /nfs/dbraw/zinc/56/12/52/558561252.db2.gz FMJGDNBCAFWIHZ-UHFFFAOYSA-N 0 0 418.880 5.398 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCCCCC2)cc1 ZINC000408675002 558561310 /nfs/dbraw/zinc/56/13/10/558561310.db2.gz FTFNZRPROBWHLF-UHFFFAOYSA-N 0 0 404.510 5.027 40 0 HKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000408675053 558561358 /nfs/dbraw/zinc/56/13/58/558561358.db2.gz GELDTDWCTFPKBN-UHFFFAOYSA-N 0 0 406.844 5.529 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2Cl)cc1 ZINC000408675123 558561276 /nfs/dbraw/zinc/56/12/76/558561276.db2.gz GOYUUHSQGBUZDU-UHFFFAOYSA-N 0 0 404.853 5.090 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000408675135 558561262 /nfs/dbraw/zinc/56/12/62/558561262.db2.gz GSLIACXHQNWCHH-UHFFFAOYSA-N 0 0 412.489 5.362 40 0 HKABRN CCc1cccc(C)c1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408675271 558561396 /nfs/dbraw/zinc/56/13/96/558561396.db2.gz HATQBDLBDDIHDH-UHFFFAOYSA-N 0 0 400.453 5.438 40 0 HKABRN CSc1cccc(NC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn32)c1 ZINC000408675317 558561366 /nfs/dbraw/zinc/56/13/66/558561366.db2.gz HKGUSBFYNYPOHE-UHFFFAOYSA-N 0 0 400.503 5.458 40 0 HKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000408675320 558561369 /nfs/dbraw/zinc/56/13/69/558561369.db2.gz HLMDIDHDJGUTDI-UHFFFAOYSA-N 0 0 423.299 6.043 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc3ccccc32)cc1 ZINC000408675557 558561314 /nfs/dbraw/zinc/56/13/14/558561314.db2.gz ISAOUAIGSKOSDZ-UHFFFAOYSA-N 0 0 420.468 5.590 40 0 HKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000408675569 558561299 /nfs/dbraw/zinc/56/12/99/558561299.db2.gz IXNFTXCGPWFWFQ-UHFFFAOYSA-N 0 0 418.880 5.480 40 0 HKABRN CCc1cccc(C)c1NC(=O)C(=O)c1c(-c2ccc(OC)cc2)cc2ccccn21 ZINC000408675606 557678160 /nfs/dbraw/zinc/67/81/60/557678160.db2.gz JMULRIDNWLNXHH-UHFFFAOYSA-N 0 0 412.489 5.307 40 0 HKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000408675615 558561270 /nfs/dbraw/zinc/56/12/70/558561270.db2.gz JQMLSQHZYZRLBC-UHFFFAOYSA-N 0 0 422.406 5.755 40 0 HKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000408675620 558561287 /nfs/dbraw/zinc/56/12/87/558561287.db2.gz JUKIXLNJJAHULM-UHFFFAOYSA-N 0 0 423.299 6.043 40 0 HKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(F)cccc2F)cc1 ZINC000408675645 557678150 /nfs/dbraw/zinc/67/81/50/557678150.db2.gz KDSFSGLJIUASKC-UHFFFAOYSA-N 0 0 420.415 5.105 40 0 HKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000408675654 558561658 /nfs/dbraw/zinc/56/16/58/558561658.db2.gz KIMSCZGSEKOIAG-FQEVSTJZSA-N 0 0 410.517 5.235 40 0 HKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000408675655 558561553 /nfs/dbraw/zinc/56/15/53/558561553.db2.gz KIMSCZGSEKOIAG-HXUWFJFHSA-N 0 0 410.517 5.235 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2SC)cc1 ZINC000408675798 558561656 /nfs/dbraw/zinc/56/16/56/558561656.db2.gz KPRHFDXOAHYFQX-UHFFFAOYSA-N 0 0 416.502 5.158 40 0 HKABRN O=C(Nc1ccc(F)c(Cl)c1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408675833 558561566 /nfs/dbraw/zinc/56/15/66/558561566.db2.gz LAUNPZYATRLSOT-UHFFFAOYSA-N 0 0 410.807 5.359 40 0 HKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000408675839 558561526 /nfs/dbraw/zinc/56/15/26/558561526.db2.gz LCXWTXJJLLUVQN-UHFFFAOYSA-N 0 0 410.517 6.168 40 0 HKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000408675987 558561547 /nfs/dbraw/zinc/56/15/47/558561547.db2.gz MLUPTXGVPFJDNX-UHFFFAOYSA-N 0 0 422.406 5.755 40 0 HKABRN CSc1cccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn32)c1 ZINC000408676257 558561663 /nfs/dbraw/zinc/56/16/63/558561663.db2.gz MPBIVWZJRLEDLG-UHFFFAOYSA-N 0 0 404.466 5.289 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000408676277 558561623 /nfs/dbraw/zinc/56/16/23/558561623.db2.gz MWBDLHZFNNTWFB-UHFFFAOYSA-N 0 0 404.853 5.090 40 0 HKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000408676317 558561599 /nfs/dbraw/zinc/56/15/99/558561599.db2.gz NAYGTUKZIZCWKD-UHFFFAOYSA-N 0 0 402.881 5.698 40 0 HKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc3ccccc32)cc1 ZINC000408676352 558561660 /nfs/dbraw/zinc/56/16/60/558561660.db2.gz NHHLALDENIYJGN-UHFFFAOYSA-N 0 0 404.469 5.889 40 0 HKABRN CC(C)c1ccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn32)cc1 ZINC000408676373 557683148 /nfs/dbraw/zinc/68/31/48/557683148.db2.gz NKWVUIOUNHSLLS-UHFFFAOYSA-N 0 0 400.453 5.690 40 0 HKABRN C[C@H](CCc1ccccc1)NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408676432 558561645 /nfs/dbraw/zinc/56/16/45/558561645.db2.gz NZFXRCBYEKUTKF-GOSISDBHSA-N 0 0 414.480 5.066 40 0 HKABRN C[C@@H](CCc1ccccc1)NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408676435 558561654 /nfs/dbraw/zinc/56/16/54/558561654.db2.gz NZFXRCBYEKUTKF-SFHVURJKSA-N 0 0 414.480 5.066 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408676476 558561640 /nfs/dbraw/zinc/56/16/40/558561640.db2.gz OIORVKUPJGJHBV-UHFFFAOYSA-N 0 0 422.843 5.229 40 0 HKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000408676485 558561585 /nfs/dbraw/zinc/56/15/85/558561585.db2.gz OJEYINPROLWKCQ-UHFFFAOYSA-N 0 0 402.881 5.698 40 0 HKABRN COc1ccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn32)cc1Cl ZINC000408676501 557683505 /nfs/dbraw/zinc/68/35/05/557683505.db2.gz OKMIJFCRXZBMFO-UHFFFAOYSA-N 0 0 422.843 5.229 40 0 HKABRN Cc1ccc(C)n1N(CC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000408676702 558561619 /nfs/dbraw/zinc/56/16/19/558561619.db2.gz BFOPOZMPRHHGIG-UHFFFAOYSA-N 0 0 401.293 5.073 40 0 HKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCC2=CCCCC2)cc1 ZINC000408676844 557681581 /nfs/dbraw/zinc/68/15/81/557681581.db2.gz OLSHJLAJEPXTBX-UHFFFAOYSA-N 0 0 416.521 5.194 40 0 HKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000408677019 558561589 /nfs/dbraw/zinc/56/15/89/558561589.db2.gz PJEJVSIINFQPHV-UHFFFAOYSA-N 0 0 412.489 5.443 40 0 HKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000408677024 558561560 /nfs/dbraw/zinc/56/15/60/558561560.db2.gz PJPMGTVVZNUUDA-UHFFFAOYSA-N 0 0 423.299 6.043 40 0 HKABRN Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1C ZINC000408677093 558561534 /nfs/dbraw/zinc/56/15/34/558561534.db2.gz AHRSZSVTUNYBHI-HNNXBMFYSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1C ZINC000408677099 558561648 /nfs/dbraw/zinc/56/16/48/558561648.db2.gz AHRSZSVTUNYBHI-OAHLLOKOSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000408677129 558561651 /nfs/dbraw/zinc/56/16/51/558561651.db2.gz QEEWZNXQEJDIQS-UHFFFAOYSA-N 0 0 402.881 5.698 40 0 HKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000408677155 557682544 /nfs/dbraw/zinc/68/25/44/557682544.db2.gz QIDBJFVSEJZAPX-UHFFFAOYSA-N 0 0 423.299 6.043 40 0 HKABRN O=C(Nc1cccc2ccccc21)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408677162 557682683 /nfs/dbraw/zinc/68/26/83/557682683.db2.gz QIHVXRXCTMFQPW-UHFFFAOYSA-N 0 0 408.432 5.720 40 0 HKABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1C ZINC000408677306 557681537 /nfs/dbraw/zinc/68/15/37/557681537.db2.gz CIECTGVTLVCPNT-FQEVSTJZSA-N 0 0 405.563 6.310 40 0 HKABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1C ZINC000408677308 558561643 /nfs/dbraw/zinc/56/16/43/558561643.db2.gz CIECTGVTLVCPNT-HXUWFJFHSA-N 0 0 405.563 6.310 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408677718 558561613 /nfs/dbraw/zinc/56/16/13/558561613.db2.gz RAYWZZHXHSSBBG-UHFFFAOYSA-N 0 0 406.844 5.529 40 0 HKABRN CSc1ccccc1NC(=O)C(=O)c1c(-c2ccc(C)cc2)cc2ccccn21 ZINC000408677919 558561764 /nfs/dbraw/zinc/56/17/64/558561764.db2.gz SIGDGTJNXXTYFI-UHFFFAOYSA-N 0 0 400.503 5.458 40 0 HKABRN Cc1cc(C)cc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 ZINC000408678080 558561772 /nfs/dbraw/zinc/56/17/72/558561772.db2.gz FFHXEBKOGYQNHI-HNNXBMFYSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1cc(C)cc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 ZINC000408678086 558561734 /nfs/dbraw/zinc/56/17/34/558561734.db2.gz FFHXEBKOGYQNHI-OAHLLOKOSA-N 0 0 412.382 5.427 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000408678619 557686995 /nfs/dbraw/zinc/68/69/95/557686995.db2.gz UAHYNVGZGRMUKI-UHFFFAOYSA-N 0 0 418.880 5.398 40 0 HKABRN CCCCc1ccc(NC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn32)cc1 ZINC000408678637 558561780 /nfs/dbraw/zinc/56/17/80/558561780.db2.gz UDUGXJAEEASWCV-UHFFFAOYSA-N 0 0 410.517 6.079 40 0 HKABRN CCc1cccc(CC)c1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408678658 557686979 /nfs/dbraw/zinc/68/69/79/557686979.db2.gz ULGCESSWFWFFNY-UHFFFAOYSA-N 0 0 414.480 5.692 40 0 HKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000408678666 558561717 /nfs/dbraw/zinc/56/17/17/558561717.db2.gz UMNRHTJSXPOUAL-UHFFFAOYSA-N 0 0 402.881 5.067 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000408678680 557686976 /nfs/dbraw/zinc/68/69/76/557686976.db2.gz UPYCTCHLMIUACI-UHFFFAOYSA-N 0 0 418.880 5.398 40 0 HKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(C)c2C)cc1 ZINC000408678713 558561748 /nfs/dbraw/zinc/56/17/48/558561748.db2.gz UUCFOUSYHKJQIG-UHFFFAOYSA-N 0 0 412.489 5.443 40 0 HKABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000408678722 557687009 /nfs/dbraw/zinc/68/70/09/557687009.db2.gz UVPREHVGFLNRAD-UHFFFAOYSA-N 0 0 418.880 5.398 40 0 HKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(C)cccc2C)cc1 ZINC000408679263 557685988 /nfs/dbraw/zinc/68/59/88/557685988.db2.gz VSBHTPBQOCDXDN-UHFFFAOYSA-N 0 0 412.489 5.443 40 0 HKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2Cl)cc1 ZINC000408679356 558561972 /nfs/dbraw/zinc/56/19/72/558561972.db2.gz WDNXRSIWIJTVEB-UHFFFAOYSA-N 0 0 418.880 5.480 40 0 HKABRN CCCCc1ccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn32)cc1 ZINC000408679382 558561929 /nfs/dbraw/zinc/56/19/29/558561929.db2.gz WHGZFNWRIOCGMB-UHFFFAOYSA-N 0 0 414.480 5.909 40 0 HKABRN CCSc1ccccc1C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000408679485 558561996 /nfs/dbraw/zinc/56/19/96/558561996.db2.gz MGWACVXFBSELRU-UHFFFAOYSA-N 0 0 400.396 5.769 40 0 HKABRN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OCC ZINC000408679520 557686010 /nfs/dbraw/zinc/68/60/10/557686010.db2.gz NHAYZLCOIZYYML-UHFFFAOYSA-N 0 0 424.733 5.245 40 0 HKABRN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000408679522 558561908 /nfs/dbraw/zinc/56/19/08/558561908.db2.gz NIHLHTIXQXUVRP-PMACEKPBSA-N 0 0 416.521 5.200 40 0 HKABRN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 ZINC000408679525 558562037 /nfs/dbraw/zinc/56/20/37/558562037.db2.gz NIHLHTIXQXUVRP-UXHICEINSA-N 0 0 416.521 5.200 40 0 HKABRN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000408679526 558561894 /nfs/dbraw/zinc/56/18/94/558561894.db2.gz NIHLHTIXQXUVRP-VQTJNVASSA-N 0 0 416.521 5.200 40 0 HKABRN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 ZINC000408679528 558561952 /nfs/dbraw/zinc/56/19/52/558561952.db2.gz NIHLHTIXQXUVRP-WOJBJXKFSA-N 0 0 416.521 5.200 40 0 HKABRN Cc1cc(C)c(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn32)c(C)c1 ZINC000408679909 558562241 /nfs/dbraw/zinc/56/22/41/558562241.db2.gz WPHGTFDJPYXXDN-UHFFFAOYSA-N 0 0 400.453 5.492 40 0 HKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000408679926 557686256 /nfs/dbraw/zinc/68/62/56/557686256.db2.gz WWAGVYZAEBKSIY-UHFFFAOYSA-N 0 0 402.881 5.698 40 0 HKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C)cc2C)cc1 ZINC000408679932 558562155 /nfs/dbraw/zinc/56/21/55/558562155.db2.gz WWSWHOPUJLSZDS-UHFFFAOYSA-N 0 0 412.489 5.443 40 0 HKABRN COc1ccc(Cl)cc1NC(=O)C(=O)c1c(-c2ccc(C)cc2)cc2ccccn21 ZINC000408679957 558562175 /nfs/dbraw/zinc/56/21/75/558562175.db2.gz XCPLYSPEFRYJEV-UHFFFAOYSA-N 0 0 418.880 5.398 40 0 HKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccccc2Cl)cc1 ZINC000408679986 558562227 /nfs/dbraw/zinc/56/22/27/558562227.db2.gz XJVPUJZLZWRZIB-UHFFFAOYSA-N 0 0 402.881 5.067 40 0 HKABRN Cc1cccc(C(C)C)c1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408680018 558562239 /nfs/dbraw/zinc/56/22/39/558562239.db2.gz XTKOOLFGGPGLBS-UHFFFAOYSA-N 0 0 414.480 5.999 40 0 HKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000408680382 558562237 /nfs/dbraw/zinc/56/22/37/558562237.db2.gz YNRXPZFYBUPLBC-GOSISDBHSA-N 0 0 412.489 5.065 40 0 HKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408680386 558562185 /nfs/dbraw/zinc/56/21/85/558562185.db2.gz YNRXPZFYBUPLBC-SFHVURJKSA-N 0 0 412.489 5.065 40 0 HKABRN CSc1ccccc1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408680452 558562192 /nfs/dbraw/zinc/56/21/92/558562192.db2.gz ZBULDJLEZGUMLS-UHFFFAOYSA-N 0 0 404.466 5.289 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408680455 558562209 /nfs/dbraw/zinc/56/22/09/558562209.db2.gz ZBZYGYJTTXGGMF-UHFFFAOYSA-N 0 0 406.844 5.529 40 0 HKABRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C(C)C ZINC000408680634 557686603 /nfs/dbraw/zinc/68/66/03/557686603.db2.gz OMGUJHNVAGLTEV-UHFFFAOYSA-N 0 0 409.551 5.210 40 0 HKABRN COc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1C(C)C ZINC000408681288 558562467 /nfs/dbraw/zinc/56/24/67/558562467.db2.gz RKZSDNKJEVRTNR-UHFFFAOYSA-N 0 0 418.740 5.035 40 0 HKABRN CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000408681474 558562613 /nfs/dbraw/zinc/56/26/13/558562613.db2.gz WPBAQHDBDMQYNX-IBGZPJMESA-N 0 0 412.382 5.509 40 0 HKABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000408681476 558562671 /nfs/dbraw/zinc/56/26/71/558562671.db2.gz WPBAQHDBDMQYNX-LJQANCHMSA-N 0 0 412.382 5.509 40 0 HKABRN CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000408681626 558562626 /nfs/dbraw/zinc/56/26/26/558562626.db2.gz YYPYWZBSLFIVTE-UHFFFAOYSA-N 0 0 405.563 6.294 40 0 HKABRN CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000408681771 558562602 /nfs/dbraw/zinc/56/26/02/558562602.db2.gz SPUOZRPJCVQHNN-IBGZPJMESA-N 0 0 412.382 5.509 40 0 HKABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000408681772 557695238 /nfs/dbraw/zinc/69/52/38/557695238.db2.gz SPUOZRPJCVQHNN-LJQANCHMSA-N 0 0 412.382 5.509 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)COc1ccccc1C(C)(C)C ZINC000408682578 558563046 /nfs/dbraw/zinc/56/30/46/558563046.db2.gz ZKFKECCPTSSHMC-UHFFFAOYSA-N 0 0 419.590 6.602 40 0 HKABRN Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)N3CCCCCC3)c2c1 ZINC000408682743 558563051 /nfs/dbraw/zinc/56/30/51/558563051.db2.gz LLEILOAHHZCGOC-UHFFFAOYSA-N 0 0 423.354 5.989 40 0 HKABRN O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000408687233 557702811 /nfs/dbraw/zinc/70/28/11/557702811.db2.gz TYIMDVMCEBETJX-GOSISDBHSA-N 0 0 420.468 5.731 40 0 HKABRN O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000408687237 557702852 /nfs/dbraw/zinc/70/28/52/557702852.db2.gz TYIMDVMCEBETJX-SFHVURJKSA-N 0 0 420.468 5.731 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Sc2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000408691612 558564775 /nfs/dbraw/zinc/56/47/75/558564775.db2.gz ILHSTPIROZQIKA-UHFFFAOYSA-N 0 0 417.328 5.729 40 0 HKABRN O=C(Cc1ccc(Cl)cc1)Sc1nnc(-c2ccc(Br)cc2)o1 ZINC000408691648 558564782 /nfs/dbraw/zinc/56/47/82/558564782.db2.gz KARQOAAHMFFCLT-UHFFFAOYSA-N 0 0 409.692 5.014 40 0 HKABRN O=C(Sc1nnc(-c2ccc(Br)cc2)o1)c1cccc2ccccc21 ZINC000408691682 558564789 /nfs/dbraw/zinc/56/47/89/558564789.db2.gz LMFBDJVRCSZPGM-UHFFFAOYSA-N 0 0 411.280 5.585 40 0 HKABRN O=C(Sc1nnc(-c2ccc(Br)cc2)o1)c1ccc2ccccc2c1 ZINC000408691942 557707693 /nfs/dbraw/zinc/70/76/93/557707693.db2.gz ZHDIEYWXJSCHQC-UHFFFAOYSA-N 0 0 411.280 5.585 40 0 HKABRN O=C(NCc1ccccc1)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000408691981 558564937 /nfs/dbraw/zinc/56/49/37/558564937.db2.gz AKWLWSHHAIRXFU-UHFFFAOYSA-N 0 0 423.303 5.171 40 0 HKABRN O=C(NCc1ccccc1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000408692018 558564946 /nfs/dbraw/zinc/56/49/46/558564946.db2.gz BKOJOKDNWWETGJ-UHFFFAOYSA-N 0 0 423.303 5.171 40 0 HKABRN O=C(NCc1ccccc1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 ZINC000408692498 558565869 /nfs/dbraw/zinc/56/58/69/558565869.db2.gz NUVUHMUREPDTFL-UHFFFAOYSA-N 0 0 423.303 5.171 40 0 HKABRN COc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3)n2)cc1 ZINC000408693562 558566118 /nfs/dbraw/zinc/56/61/18/558566118.db2.gz AARDZFZYENXQFZ-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)c(C)c1 ZINC000408693564 558566122 /nfs/dbraw/zinc/56/61/22/558566122.db2.gz ACGKPAKEBQMYAB-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(C)c(C)c2)c1 ZINC000408693578 558566125 /nfs/dbraw/zinc/56/61/25/558566125.db2.gz AJEPMJUMTWTJAE-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000408693579 558566113 /nfs/dbraw/zinc/56/61/13/558566113.db2.gz AJFMWEZGDIEOAC-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(F)cc2)c1 ZINC000408693588 558566110 /nfs/dbraw/zinc/56/61/10/558566110.db2.gz AMRMGJGKDGAQDW-UHFFFAOYSA-N 0 0 414.484 5.559 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(Cl)cc2)cc1C ZINC000408693589 558566141 /nfs/dbraw/zinc/56/61/41/558566141.db2.gz AMSCVHRZYREGRR-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3C)n2)cc1C ZINC000408693594 558566116 /nfs/dbraw/zinc/56/61/16/558566116.db2.gz AONPWAYNRMZWCX-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN CCOc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(F)cc3)n2)cc1 ZINC000408693602 557711274 /nfs/dbraw/zinc/71/12/74/557711274.db2.gz ATRSWRCGHNLGDK-UHFFFAOYSA-N 0 0 416.456 5.033 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)cc1 ZINC000408693604 558566101 /nfs/dbraw/zinc/56/61/01/558566101.db2.gz AUQMKJRSBYKMLJ-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(Cl)ccc3C)n2)cc1 ZINC000408693605 558566152 /nfs/dbraw/zinc/56/61/52/558566152.db2.gz AWBZBLLTRUEYQJ-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(F)cc3)n2)cc1C ZINC000408693608 558566136 /nfs/dbraw/zinc/56/61/36/558566136.db2.gz AXTOVEUNKIFILZ-UHFFFAOYSA-N 0 0 404.420 5.082 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cc(Cl)ccc3C)n2)cc1 ZINC000408693614 558566106 /nfs/dbraw/zinc/56/61/06/558566106.db2.gz BABBVSZOWJGLBG-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccc(F)cc2)cc1 ZINC000408693619 558566148 /nfs/dbraw/zinc/56/61/48/558566148.db2.gz BBCXHHFUGQALGE-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2cccc(C)c2)cc1 ZINC000408693621 558566149 /nfs/dbraw/zinc/56/61/49/558566149.db2.gz BBPCMXLSRORXPF-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)cc1C ZINC000408693623 558566150 /nfs/dbraw/zinc/56/61/50/558566150.db2.gz BCNMXUSHEMRPBA-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000408693627 558566157 /nfs/dbraw/zinc/56/61/57/558566157.db2.gz BDNCPIOXOGKMBQ-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3C)n2)cc1C ZINC000408693629 558566104 /nfs/dbraw/zinc/56/61/04/558566104.db2.gz BFTLWDNPXSYCKL-UHFFFAOYSA-N 0 0 414.484 5.559 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2cccc(C)c2C)cc1 ZINC000408693630 558566154 /nfs/dbraw/zinc/56/61/54/558566154.db2.gz BFTZDUBGUPTLBQ-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2cccc(C)c2C)cc1 ZINC000408693631 558566166 /nfs/dbraw/zinc/56/61/66/558566166.db2.gz BGCPHUDKBGLKPK-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)cc3)n2)cc1 ZINC000408693643 558566132 /nfs/dbraw/zinc/56/61/32/558566132.db2.gz BKAKMZFCNNOOMH-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccccc2)c1C ZINC000408693647 557711216 /nfs/dbraw/zinc/71/12/16/557711216.db2.gz BLBLZLXKGKMZHE-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(Cl)c3C)n2)cc1 ZINC000408693655 557711281 /nfs/dbraw/zinc/71/12/81/557711281.db2.gz BMWFPSYDGHAMLB-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(C)cc2)cc1 ZINC000408693670 558566138 /nfs/dbraw/zinc/56/61/38/558566138.db2.gz BQNQBRCZHJKYFD-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccc(F)cc2)nc1-c1ccc(F)cc1 ZINC000408693671 558566108 /nfs/dbraw/zinc/56/61/08/558566108.db2.gz BQNSQUSQGKWROF-UHFFFAOYSA-N 0 0 424.838 5.427 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2cccc(C)c2)c1 ZINC000408693672 558566151 /nfs/dbraw/zinc/56/61/51/558566151.db2.gz BQROAUOQSODDNY-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2cc(C)ccc2C)c1 ZINC000408693690 558566097 /nfs/dbraw/zinc/56/60/97/558566097.db2.gz BXGBCRSSZASZMA-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(C)ccc3C)n2)c(C)c1 ZINC000408693694 558566280 /nfs/dbraw/zinc/56/62/80/558566280.db2.gz BXWOUVOYMIJKOG-UHFFFAOYSA-N 0 0 414.484 5.559 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3C)n2)c(C)c1 ZINC000408693703 558566276 /nfs/dbraw/zinc/56/62/76/558566276.db2.gz CCZOZAGWNBCDFA-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)cc1 ZINC000408693705 558566286 /nfs/dbraw/zinc/56/62/86/558566286.db2.gz CEAFEJUTGNZACN-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)cc3C)n2)cc1 ZINC000408693713 558566325 /nfs/dbraw/zinc/56/63/25/558566325.db2.gz CIHMRPFCEZRIHF-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN CCOc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3)n2)cc1 ZINC000408693721 558566314 /nfs/dbraw/zinc/56/63/14/558566314.db2.gz CLHHIOAJAKJBJD-UHFFFAOYSA-N 0 0 416.456 5.033 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(F)cc2)c1 ZINC000408693724 558566282 /nfs/dbraw/zinc/56/62/82/558566282.db2.gz CMOANSFFSQTUQT-UHFFFAOYSA-N 0 0 404.420 5.082 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(Cl)cc2)c1 ZINC000408693726 558566261 /nfs/dbraw/zinc/56/62/61/558566261.db2.gz COIIVBSSOOWASN-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3)n2)c(C)c1 ZINC000408693727 558566350 /nfs/dbraw/zinc/56/63/50/558566350.db2.gz COZNUJSUOFJVNW-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2cccc(Cl)c2)c1 ZINC000408693739 558566341 /nfs/dbraw/zinc/56/63/41/558566341.db2.gz CUFFFXDPYNCQIB-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)c(C)c3)n2)cc1 ZINC000408693740 558566270 /nfs/dbraw/zinc/56/62/70/558566270.db2.gz CVAHTBKPRVAOFD-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2cccc(C)c2)cc1 ZINC000408693748 558566333 /nfs/dbraw/zinc/56/63/33/558566333.db2.gz CZAGXIJWHKYLJK-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2cc(C)ccc2C)c1 ZINC000408693749 558566257 /nfs/dbraw/zinc/56/62/57/558566257.db2.gz CZDMDRGNVXGAIX-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000408693751 558566360 /nfs/dbraw/zinc/56/63/60/558566360.db2.gz CZLOVPAZFZXJRS-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccc(Cl)cc2)nc1-c1cccc(Cl)c1 ZINC000408693754 558566355 /nfs/dbraw/zinc/56/63/55/558566355.db2.gz CZTKLPDETJPKBG-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)c(C)c3)n2)cc1 ZINC000408693759 558566321 /nfs/dbraw/zinc/56/63/21/558566321.db2.gz DBEZXKMRKWYJSP-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3C)n2)cc1 ZINC000408693764 558566310 /nfs/dbraw/zinc/56/63/10/558566310.db2.gz DDKHDKCLHRBAFC-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccccc2)c(C)c1 ZINC000408693768 558566273 /nfs/dbraw/zinc/56/62/73/558566273.db2.gz DEOZJKUPHCTNLA-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccc(Cl)cc2)c1 ZINC000408693769 558566267 /nfs/dbraw/zinc/56/62/67/558566267.db2.gz DEVWDXZGVXXSIC-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccc(Cl)cc2)cc1 ZINC000408693792 558566358 /nfs/dbraw/zinc/56/63/58/558566358.db2.gz DRLIMAGZFAQGEZ-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)cc3C)n2)cc1 ZINC000408693824 558566337 /nfs/dbraw/zinc/56/63/37/558566337.db2.gz FKGLXTWDCWYSQU-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(Cl)cc2)c1 ZINC000408693829 558566329 /nfs/dbraw/zinc/56/63/29/558566329.db2.gz FPARVGJHWSWTBJ-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(F)cc2)cc1 ZINC000408693832 558566294 /nfs/dbraw/zinc/56/62/94/558566294.db2.gz FQCHDHWOFCMDGL-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)c(C)c3)n2)cc1 ZINC000408693847 558566305 /nfs/dbraw/zinc/56/63/05/558566305.db2.gz FYTBTAZBNGDHHO-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cc(C)ccc3C)n2)cc1 ZINC000408693853 557711641 /nfs/dbraw/zinc/71/16/41/557711641.db2.gz GANGZKQKXUDVSZ-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2cccc(Cl)c2)c1 ZINC000408693857 558566264 /nfs/dbraw/zinc/56/62/64/558566264.db2.gz GDBYYOQIUIMAHA-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2cccc(Cl)c2C)c1 ZINC000408693967 558566316 /nfs/dbraw/zinc/56/63/16/558566316.db2.gz GFTIJHKJSJGBQL-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000408693971 558566345 /nfs/dbraw/zinc/56/63/45/558566345.db2.gz GIKDYSXTDZLWHZ-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(Cl)cc2)c1 ZINC000408693975 558566300 /nfs/dbraw/zinc/56/63/00/558566300.db2.gz GKNAMLNXDWTKMQ-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000408693976 558566365 /nfs/dbraw/zinc/56/63/65/558566365.db2.gz GKOSDNCMZJPGJA-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccccc2)cc1C ZINC000408693980 557711656 /nfs/dbraw/zinc/71/16/56/557711656.db2.gz GLDULGIGZCFNLM-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000408693989 558566253 /nfs/dbraw/zinc/56/62/53/558566253.db2.gz GOMYIQDSMPWQEV-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3C)n2)c(C)c1 ZINC000408693999 558566591 /nfs/dbraw/zinc/56/65/91/558566591.db2.gz GTHKJUUWBAISKS-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccc(Cl)cc2)cc1 ZINC000408694012 558566559 /nfs/dbraw/zinc/56/65/59/558566559.db2.gz HCORVGSAFZOAHG-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(Cl)cc2)cc1 ZINC000408694014 558566551 /nfs/dbraw/zinc/56/65/51/558566551.db2.gz HDXUJGBKGNGBIB-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(F)cc2)cc1 ZINC000408694017 558566537 /nfs/dbraw/zinc/56/65/37/558566537.db2.gz HETQHWIXLDKITH-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)cc1 ZINC000408694019 558566535 /nfs/dbraw/zinc/56/65/35/558566535.db2.gz HGZSASWLCDCGNO-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(Cl)cc2)cc1 ZINC000408694022 558566542 /nfs/dbraw/zinc/56/65/42/558566542.db2.gz HIYFDGBHUYJYBM-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN CCOc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3C)n2)cc1 ZINC000408694039 558566571 /nfs/dbraw/zinc/56/65/71/558566571.db2.gz HNCVCVRATIFKRV-UHFFFAOYSA-N 0 0 416.456 5.033 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2cccc(Cl)c2)c(C)c1 ZINC000408694047 558566545 /nfs/dbraw/zinc/56/65/45/558566545.db2.gz HQSAWGCWDFMLHG-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3Cl)nn2-c2ccccc2)c1 ZINC000408694049 558566527 /nfs/dbraw/zinc/56/65/27/558566527.db2.gz HQXDWCYRWWEILY-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2cccc(Cl)c2)cc1 ZINC000408694069 558566557 /nfs/dbraw/zinc/56/65/57/558566557.db2.gz HWCLCZFBRXHBQW-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2cc(C)ccc2C)cc1 ZINC000408694073 558566594 /nfs/dbraw/zinc/56/65/94/558566594.db2.gz HYAKMFXTACBSNS-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408694160 558566549 /nfs/dbraw/zinc/56/65/49/558566549.db2.gz CZVPELRYAYCGAH-FQEVSTJZSA-N 0 0 423.896 5.376 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(C)c3)n2)cc1C ZINC000408694264 558566564 /nfs/dbraw/zinc/56/65/64/558566564.db2.gz IAYQVGOFZXBBAY-UHFFFAOYSA-N 0 0 414.484 5.559 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccccc2)cc1 ZINC000408694269 558566562 /nfs/dbraw/zinc/56/65/62/558566562.db2.gz IDOJASJUNPOSCV-UHFFFAOYSA-N 0 0 418.884 5.239 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccc(C)c(C)c2)cc1 ZINC000408694276 558566521 /nfs/dbraw/zinc/56/65/21/558566521.db2.gz IGOWRENWLYQKID-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccc(Cl)cc2)c1 ZINC000408694279 558566525 /nfs/dbraw/zinc/56/65/25/558566525.db2.gz IHJHQECKSYTKOT-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3)nc2-c2ccc(C)cc2)cc1 ZINC000408694280 558566579 /nfs/dbraw/zinc/56/65/79/558566579.db2.gz IIBJHYWHHURSPR-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000408694284 558566530 /nfs/dbraw/zinc/56/65/30/558566530.db2.gz IJJGFOYVRNBPNM-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000408694293 558566515 /nfs/dbraw/zinc/56/65/15/558566515.db2.gz INERQBUGAZLPDS-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2cccc(Cl)c2)c1C ZINC000408694297 558566532 /nfs/dbraw/zinc/56/65/32/558566532.db2.gz IPAAHOMCAFHMPZ-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(C)c3)n2)c(C)c1 ZINC000408694307 558566539 /nfs/dbraw/zinc/56/65/39/558566539.db2.gz ISAFAVBNHKGZPW-UHFFFAOYSA-N 0 0 414.484 5.559 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(F)cc2)cc1Cl ZINC000408694309 558566566 /nfs/dbraw/zinc/56/65/66/558566566.db2.gz ISJRKAMVKSGIGV-UHFFFAOYSA-N 0 0 424.838 5.427 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)c1 ZINC000408694311 557709298 /nfs/dbraw/zinc/70/92/98/557709298.db2.gz ITGRJTSOIVWLIQ-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(Cl)cc2)c(C)c1 ZINC000408694312 558566547 /nfs/dbraw/zinc/56/65/47/558566547.db2.gz IUAWPHZFLFHVLZ-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(F)cc2)cc1C ZINC000408694319 558566597 /nfs/dbraw/zinc/56/65/97/558566597.db2.gz IYHLCFFNXJOICS-UHFFFAOYSA-N 0 0 404.420 5.082 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(Cl)cc2)c1 ZINC000408694322 557709555 /nfs/dbraw/zinc/70/95/55/557709555.db2.gz IZZBPTXDQXJSSY-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(C)cc2C)c1 ZINC000408694323 558566585 /nfs/dbraw/zinc/56/65/85/558566585.db2.gz JAGLDZQXIJLWIC-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)cc1 ZINC000408694324 558566554 /nfs/dbraw/zinc/56/65/54/558566554.db2.gz JBBKZHGQKVMKID-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(C)c3C)n2)cc1 ZINC000408694331 558566582 /nfs/dbraw/zinc/56/65/82/558566582.db2.gz JCQWPBXOJMRWQT-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(C)cc2C)cc1 ZINC000408694332 557709547 /nfs/dbraw/zinc/70/95/47/557709547.db2.gz JDAMISHAUJZIBX-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(Cl)cc2)c1 ZINC000408694336 558566588 /nfs/dbraw/zinc/56/65/88/558566588.db2.gz JDSQXOJTPXJSBV-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2cccc(Cl)c2)c1 ZINC000408694345 558566809 /nfs/dbraw/zinc/56/68/09/558566809.db2.gz JHHWZMXKQCDMOS-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(F)cc2)c1C ZINC000408694347 558566825 /nfs/dbraw/zinc/56/68/25/558566825.db2.gz JHWHDBLUMQMBOR-UHFFFAOYSA-N 0 0 404.420 5.082 40 0 HKABRN CCOc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)cc3)n2)cc1 ZINC000408694350 558566760 /nfs/dbraw/zinc/56/67/60/558566760.db2.gz JJBSNNUMBZUBJZ-UHFFFAOYSA-N 0 0 416.456 5.033 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2ccc(C)cc2)cc1 ZINC000408694352 557709543 /nfs/dbraw/zinc/70/95/43/557709543.db2.gz JJJDKBMVIRCZRW-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408694361 558566686 /nfs/dbraw/zinc/56/66/86/558566686.db2.gz CZVPELRYAYCGAH-HXUWFJFHSA-N 0 0 423.896 5.376 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)c1 ZINC000408694506 558567227 /nfs/dbraw/zinc/56/72/27/558567227.db2.gz JTIWHQXYCMXMTO-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN COc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3C)n2)cc1 ZINC000408694508 557709741 /nfs/dbraw/zinc/70/97/41/557709741.db2.gz JUGBEECJFPOPLN-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2cccc(Cl)c2)cc1 ZINC000408694510 558567249 /nfs/dbraw/zinc/56/72/49/558567249.db2.gz JUWMKRRGRFLVKP-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN CCOc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(F)cc3)n2)cc1 ZINC000408694514 558567284 /nfs/dbraw/zinc/56/72/84/558567284.db2.gz JWDGUSDUEWAHAX-UHFFFAOYSA-N 0 0 416.456 5.033 40 0 HKABRN CCOc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccccc3C)n2)cc1 ZINC000408694518 558567209 /nfs/dbraw/zinc/56/72/09/558567209.db2.gz JWLCZTNBJVTPHR-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2cccc(C)c2C)c1 ZINC000408694530 557709669 /nfs/dbraw/zinc/70/96/69/557709669.db2.gz KBSSVWRBFHSCMO-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccc(C)cc2C)c1 ZINC000408694556 557709716 /nfs/dbraw/zinc/70/97/16/557709716.db2.gz KGBVGUIVFDITHM-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)c(C)c1 ZINC000408694557 558567266 /nfs/dbraw/zinc/56/72/66/558567266.db2.gz KHZBHDXQLAOFRR-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2cc(C)ccc2C)c1 ZINC000408694561 558567293 /nfs/dbraw/zinc/56/72/93/558567293.db2.gz KJEVCTKGILKEOF-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cc(C)ccc3C)n2)cc1 ZINC000408694571 558567253 /nfs/dbraw/zinc/56/72/53/558567253.db2.gz KLCVHCTXJZAGEM-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN CCOc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1 ZINC000408694576 557709770 /nfs/dbraw/zinc/70/97/70/557709770.db2.gz KLQUPXBKGZLBRC-UHFFFAOYSA-N 0 0 418.884 5.239 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 ZINC000408694596 558567297 /nfs/dbraw/zinc/56/72/97/558567297.db2.gz KTDFNZBQNMDQPZ-UHFFFAOYSA-N 0 0 410.811 5.118 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(Cl)ccc3C)n2)c(C)c1 ZINC000408694607 558567335 /nfs/dbraw/zinc/56/73/35/558567335.db2.gz KUIOBOTYJIQJLN-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)cc3)n2)cc1 ZINC000408694609 558567262 /nfs/dbraw/zinc/56/72/62/558567262.db2.gz KULNQOSKMBZGOK-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccccc2C)c1 ZINC000408694611 558567305 /nfs/dbraw/zinc/56/73/05/558567305.db2.gz KUNVALZGWYNBKU-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2cccc(Cl)c2C)cc1 ZINC000408694628 558567550 /nfs/dbraw/zinc/56/75/50/558567550.db2.gz LAXMQZMLSRQTHW-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN COc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)cc3C)n2)cc1 ZINC000408694646 557709738 /nfs/dbraw/zinc/70/97/38/557709738.db2.gz LGQKFGDENCTKST-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccccc2)cc1 ZINC000408694647 558567547 /nfs/dbraw/zinc/56/75/47/558567547.db2.gz LHFTVRKIRUTDCL-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2cc(C)ccc2C)c1 ZINC000408694649 558567461 /nfs/dbraw/zinc/56/74/61/558567461.db2.gz LIHCDGHTTDTAOW-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2cc(Cl)ccc2C)cc1 ZINC000408694652 558567530 /nfs/dbraw/zinc/56/75/30/558567530.db2.gz LIZFKVGLCZSTFI-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2cccc(C)c2C)c1 ZINC000408694658 558567453 /nfs/dbraw/zinc/56/74/53/558567453.db2.gz LLEGWWAMKAQMGR-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000408694671 558567543 /nfs/dbraw/zinc/56/75/43/558567543.db2.gz LQKLIMXBVFUGKN-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccccc2)c1 ZINC000408694677 558567509 /nfs/dbraw/zinc/56/75/09/558567509.db2.gz LSCYTNSIAXMLAL-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN COc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1F ZINC000408694693 558567520 /nfs/dbraw/zinc/56/75/20/558567520.db2.gz LUMKPSZOBZVYHU-UHFFFAOYSA-N 0 0 417.527 5.236 40 0 HKABRN O=C(Nc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000408694714 557709688 /nfs/dbraw/zinc/70/96/88/557709688.db2.gz LZRWNLUSFDUTEC-UHFFFAOYSA-N 0 0 409.276 5.493 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3)nc2-c2ccc(F)cc2)cc1 ZINC000408694717 558567512 /nfs/dbraw/zinc/56/75/12/558567512.db2.gz MAPWJNSHPOWSMF-UHFFFAOYSA-N 0 0 416.456 5.033 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3C)n2)cc1 ZINC000408694738 558567418 /nfs/dbraw/zinc/56/74/18/558567418.db2.gz MEPAGCYEEKNJEX-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)cc3C)n2)c(C)c1 ZINC000408694746 558567505 /nfs/dbraw/zinc/56/75/05/558567505.db2.gz MFUBSDPPSPMAGH-UHFFFAOYSA-N 0 0 414.484 5.559 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(Cl)ccc3C)n2)cc1 ZINC000408694752 558567444 /nfs/dbraw/zinc/56/74/44/558567444.db2.gz MGQNRLOPJFHBNE-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccc(F)cc2)nc1-c1cccc(Cl)c1 ZINC000408694777 558567535 /nfs/dbraw/zinc/56/75/35/558567535.db2.gz MKPAYEXUIDRDFR-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C)c3C)n2)cc1 ZINC000408694783 558567448 /nfs/dbraw/zinc/56/74/48/558567448.db2.gz MLGJSGQHICTMLS-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN COc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)c(C)c3)n2)cc1 ZINC000408694789 558567516 /nfs/dbraw/zinc/56/75/16/558567516.db2.gz MLKLSOQPJLVORD-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN CCOc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccccc3C)n2)cc1 ZINC000408694819 558567441 /nfs/dbraw/zinc/56/74/41/558567441.db2.gz MPRTYNVEGKQWMA-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccc(C)c(C)c2)cc1 ZINC000408694850 558567457 /nfs/dbraw/zinc/56/74/57/558567457.db2.gz MTVUMJBNQRLIIS-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(F)cc3)n2)c(C)c1 ZINC000408694871 558567429 /nfs/dbraw/zinc/56/74/29/558567429.db2.gz MWGVTGCCSJRABQ-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2cccc(C)c2C)c1 ZINC000408694874 558567495 /nfs/dbraw/zinc/56/74/95/558567495.db2.gz MWKVYYTXHBSRDH-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2cccc(C)c2)cc1 ZINC000408694964 558567527 /nfs/dbraw/zinc/56/75/27/558567527.db2.gz MXXWDXXNUACTMV-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3C)n2)cc1 ZINC000408694966 558567539 /nfs/dbraw/zinc/56/75/39/558567539.db2.gz MYZKTTUUNQGLAT-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(Cl)ccc3C)n2)cc1 ZINC000408694967 558567466 /nfs/dbraw/zinc/56/74/66/558567466.db2.gz MZJLEFGCWFPCBP-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 ZINC000408694978 558567645 /nfs/dbraw/zinc/56/76/45/558567645.db2.gz NFJYNISNTZCRJX-UHFFFAOYSA-N 0 0 409.276 5.493 40 0 HKABRN CCOc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(C)c3)n2)cc1 ZINC000408694990 557709662 /nfs/dbraw/zinc/70/96/62/557709662.db2.gz NMKATYRTJINTEE-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)cc3Cl)nc2-c2ccccc2)c1 ZINC000408694993 558567651 /nfs/dbraw/zinc/56/76/51/558567651.db2.gz NNKSATSYNYYPSM-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3)n2)cc1 ZINC000408694994 558567714 /nfs/dbraw/zinc/56/77/14/558567714.db2.gz NNQLTCOLXXBHJY-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)cc1C ZINC000408695014 557709952 /nfs/dbraw/zinc/70/99/52/557709952.db2.gz OAGALDAMDMSPJR-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2cccc(Cl)c2)c1 ZINC000408695016 558567723 /nfs/dbraw/zinc/56/77/23/558567723.db2.gz OAWOMMNPDHYTTD-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccc(F)cc2)c1 ZINC000408695021 558567666 /nfs/dbraw/zinc/56/76/66/558567666.db2.gz OETIFPINGIDPPC-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccc(C)cc2C)cc1 ZINC000408695027 558567636 /nfs/dbraw/zinc/56/76/36/558567636.db2.gz OFHSBDSYFNHPRT-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(F)cc2)c1 ZINC000408695043 558567683 /nfs/dbraw/zinc/56/76/83/558567683.db2.gz OHCKHFQHIRBICM-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000408695045 558567736 /nfs/dbraw/zinc/56/77/36/558567736.db2.gz OHJHDNOIZDONHL-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2cc(Cl)ccc2C)c1 ZINC000408695057 558567741 /nfs/dbraw/zinc/56/77/41/558567741.db2.gz OKZIQBYPBFJGHC-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN CCOc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)cc3)n2)cc1 ZINC000408695066 558567747 /nfs/dbraw/zinc/56/77/47/558567747.db2.gz OLOOBPBKZQHOKC-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000408695069 557709953 /nfs/dbraw/zinc/70/99/53/557709953.db2.gz ONLDLHQRNAXAKL-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccccc2)cc1Cl ZINC000408695082 558567659 /nfs/dbraw/zinc/56/76/59/558567659.db2.gz ORPPSTDLBHZGLM-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccc(F)cc2)nc1-c1ccc(Cl)cc1 ZINC000408695095 558567670 /nfs/dbraw/zinc/56/76/70/558567670.db2.gz OUERPHWOAFNRPQ-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 ZINC000408695264 557709958 /nfs/dbraw/zinc/70/99/58/557709958.db2.gz OYZJVWHTUCXDRM-UHFFFAOYSA-N 0 0 410.811 5.118 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(Cl)c3)n2)cc1C ZINC000408695268 558567695 /nfs/dbraw/zinc/56/76/95/558567695.db2.gz PBCOREKPPKOZEV-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3)nc2-c2cccc(Cl)c2)cc1 ZINC000408695269 558567704 /nfs/dbraw/zinc/56/77/04/558567704.db2.gz PBPYFVPHEGLCGL-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3)nc2-c2cccc(C)c2)cc1 ZINC000408695279 558567727 /nfs/dbraw/zinc/56/77/27/558567727.db2.gz PGULVXIZPXWZDT-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000408695285 558567653 /nfs/dbraw/zinc/56/76/53/558567653.db2.gz PKMQMVGHNXKQID-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)cc1C ZINC000408695286 558567745 /nfs/dbraw/zinc/56/77/45/558567745.db2.gz PKRXBUXPVKSGAB-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(Cl)c3C)n2)cc1 ZINC000408695287 558567679 /nfs/dbraw/zinc/56/76/79/558567679.db2.gz PKZQIDCLGMIZMX-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(C)c(Cl)c2)cc1 ZINC000408695292 558567674 /nfs/dbraw/zinc/56/76/74/558567674.db2.gz PNKYZJVOZDMLRJ-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)cc1C ZINC000408695299 558567855 /nfs/dbraw/zinc/56/78/55/558567855.db2.gz PRHDEDRAAHWUQR-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(F)cc2)c1 ZINC000408695315 558567911 /nfs/dbraw/zinc/56/79/11/558567911.db2.gz PVRNIDPKXADAMI-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)cc1 ZINC000408695317 558567873 /nfs/dbraw/zinc/56/78/73/558567873.db2.gz PWLTVRKBMDAPCQ-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(C)cc2C)c1 ZINC000408695354 558567939 /nfs/dbraw/zinc/56/79/39/558567939.db2.gz QCNAWWFVHPWAIX-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3C)n2)cc1 ZINC000408695362 558567859 /nfs/dbraw/zinc/56/78/59/558567859.db2.gz QEBTZMMWIXKSKS-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000408695374 558567932 /nfs/dbraw/zinc/56/79/32/558567932.db2.gz QGAYOASVANQDFD-UHFFFAOYSA-N 0 0 409.276 5.493 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(Cl)ccc3C)n2)cc1C ZINC000408695387 558567866 /nfs/dbraw/zinc/56/78/66/558567866.db2.gz QIGXFZHABXEBME-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(F)cc3)n2)c(C)c1 ZINC000408695389 558567914 /nfs/dbraw/zinc/56/79/14/558567914.db2.gz QINTURJILQULEY-UHFFFAOYSA-N 0 0 404.420 5.082 40 0 HKABRN CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(C)c3)n2)cc1 ZINC000408695392 558567848 /nfs/dbraw/zinc/56/78/48/558567848.db2.gz QITSWPAGXSBAAC-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)cc1C ZINC000408695394 557709945 /nfs/dbraw/zinc/70/99/45/557709945.db2.gz QJQCHHAYZCEJMR-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)cc3)n2)cc1 ZINC000408695419 558567887 /nfs/dbraw/zinc/56/78/87/558567887.db2.gz QMLDKUZXTJGEPL-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)c(C)c1 ZINC000408695463 558567951 /nfs/dbraw/zinc/56/79/51/558567951.db2.gz QOKPDZCCYQRQMD-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)c(C)c1 ZINC000408695464 558567878 /nfs/dbraw/zinc/56/78/78/558567878.db2.gz QORQAYVQQPRWBW-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cc(C)ccc3C)n2)cc1 ZINC000408695465 558567902 /nfs/dbraw/zinc/56/79/02/558567902.db2.gz QQQWAPFVTZJQNS-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1C ZINC000408695469 558567869 /nfs/dbraw/zinc/56/78/69/558567869.db2.gz QSBRCUXSHKTHIM-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(C)c(Cl)c2)c1 ZINC000408695488 557709944 /nfs/dbraw/zinc/70/99/44/557709944.db2.gz QTUJFQDGNIXEAX-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)cc3)n2)cc1 ZINC000408695494 558567862 /nfs/dbraw/zinc/56/78/62/558567862.db2.gz QVLMKHCDYYDQNP-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000408695507 558567835 /nfs/dbraw/zinc/56/78/35/558567835.db2.gz QZAMWLXCJASAQQ-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccc(C)c(C)c2)c1 ZINC000408695509 558567923 /nfs/dbraw/zinc/56/79/23/558567923.db2.gz QZWLTDDHZFAWNA-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2cccc(Cl)c2)cc1 ZINC000408695516 558567942 /nfs/dbraw/zinc/56/79/42/558567942.db2.gz RCCQJODUTGVYKE-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)cc1 ZINC000408695529 558567892 /nfs/dbraw/zinc/56/78/92/558567892.db2.gz REMGFBILBNKLRB-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccc(C)c(C)c2)c1 ZINC000408695596 558567944 /nfs/dbraw/zinc/56/79/44/558567944.db2.gz RNOHCAYMGUPYEL-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccccc2C)cc1 ZINC000408695599 558567897 /nfs/dbraw/zinc/56/78/97/558567897.db2.gz RNPYSVPPRWQTNC-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccc(F)cc2)c1 ZINC000408695626 558567927 /nfs/dbraw/zinc/56/79/27/558567927.db2.gz RRUVCUUUBCHVQN-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(F)cc2)c(C)c1 ZINC000408695629 558567947 /nfs/dbraw/zinc/56/79/47/558567947.db2.gz RSTZPEYNADIIKR-UHFFFAOYSA-N 0 0 414.484 5.559 40 0 HKABRN CCOc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)cc3)n2)cc1 ZINC000408695647 558567935 /nfs/dbraw/zinc/56/79/35/558567935.db2.gz RTXXRGBNHHGQMT-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000408695679 558567839 /nfs/dbraw/zinc/56/78/39/558567839.db2.gz SBJASCURXYOYMT-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 ZINC000408695682 558567845 /nfs/dbraw/zinc/56/78/45/558567845.db2.gz SBLRJWAELHYIRR-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(Cl)cc2)c1C ZINC000408695685 558568044 /nfs/dbraw/zinc/56/80/44/558568044.db2.gz SDIVIXGUCXAXTH-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccc(C)cc2C)cc1 ZINC000408695714 558568057 /nfs/dbraw/zinc/56/80/57/558568057.db2.gz SIOGAVDZDGMJAO-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2cc(C)ccc2C)cc1 ZINC000408695815 558568128 /nfs/dbraw/zinc/56/81/28/558568128.db2.gz SOLHBRBJZXEABS-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2ccccc2)cc1 ZINC000408695818 558568122 /nfs/dbraw/zinc/56/81/22/558568122.db2.gz SQKCHEHEZFXIHX-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN COc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3)n2)cc1 ZINC000408695819 558568053 /nfs/dbraw/zinc/56/80/53/558568053.db2.gz SRHDOXQFJHHBMO-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)c1C ZINC000408695833 558568082 /nfs/dbraw/zinc/56/80/82/558568082.db2.gz SYZXUKCECHUKIJ-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)cc3C)n2)cc1 ZINC000408695836 558568037 /nfs/dbraw/zinc/56/80/37/558568037.db2.gz SZYDKOMRZHAHCQ-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2ccc(F)cc2)c1 ZINC000408695837 558568140 /nfs/dbraw/zinc/56/81/40/558568140.db2.gz TUQRLSYBLBJHTJ-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)cc3C)n2)cc1 ZINC000408695839 558568124 /nfs/dbraw/zinc/56/81/24/558568124.db2.gz TUYKBYAHLRFNBW-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(F)cc2)c(C)c1 ZINC000408695844 558568066 /nfs/dbraw/zinc/56/80/66/558568066.db2.gz TWUCPUJJXWXJHE-UHFFFAOYSA-N 0 0 404.420 5.082 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccc(C)cc2C)c1 ZINC000408695849 558568133 /nfs/dbraw/zinc/56/81/33/558568133.db2.gz TZIRVXZQEKCHHA-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(Cl)c3C)n2)cc1 ZINC000408695851 558568090 /nfs/dbraw/zinc/56/80/90/558568090.db2.gz TZRJLEKVZTYDPE-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(C)cc2C)cc1 ZINC000408695853 558568047 /nfs/dbraw/zinc/56/80/47/558568047.db2.gz UAIIKCUAYPUCCE-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(C)c3)n2)cc1 ZINC000408695857 558568033 /nfs/dbraw/zinc/56/80/33/558568033.db2.gz UBYSMFLUYKKHPF-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2cccc(Cl)c2)c1 ZINC000408695858 558568151 /nfs/dbraw/zinc/56/81/51/558568151.db2.gz UBYWYUJPNJUQPZ-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(Cl)cc2)cc1 ZINC000408695859 558568062 /nfs/dbraw/zinc/56/80/62/558568062.db2.gz UCEXQSMUESNGQH-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2cccc(C)c2C)c1 ZINC000408695868 558568040 /nfs/dbraw/zinc/56/80/40/558568040.db2.gz UHQARPKEBUDAQB-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)c(C)c1 ZINC000408695877 557710350 /nfs/dbraw/zinc/71/03/50/557710350.db2.gz UMYJMCPJWWJQRK-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2ccc(Cl)cc2)cc1 ZINC000408695894 558568113 /nfs/dbraw/zinc/56/81/13/558568113.db2.gz USQAOGAMNJXAJC-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2ccc(Cl)cc2)c1 ZINC000408695896 558568135 /nfs/dbraw/zinc/56/81/35/558568135.db2.gz USUMUFCNHVXQSE-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3Cl)nn2-c2ccccc2)cc1 ZINC000408695900 558568117 /nfs/dbraw/zinc/56/81/17/558568117.db2.gz UUHZFOGRWFANKR-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(C)cc2)cc1 ZINC000408696023 558568308 /nfs/dbraw/zinc/56/83/08/558568308.db2.gz VDYYQAKKFSSNLC-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN CCOc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3)n2)cc1 ZINC000408696033 558568346 /nfs/dbraw/zinc/56/83/46/558568346.db2.gz VIKJIUOZIFGVTD-UHFFFAOYSA-N 0 0 418.884 5.239 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3)n2)cc1 ZINC000408696052 558568248 /nfs/dbraw/zinc/56/82/48/558568248.db2.gz VMUTWKXDNFFBDM-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(Cl)c3)n2)c(C)c1 ZINC000408696071 558564042 /nfs/dbraw/zinc/56/40/42/558564042.db2.gz VUEZYTKNBOYROK-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 ZINC000408696075 558564131 /nfs/dbraw/zinc/56/41/31/558564131.db2.gz VVOGGONNOVOQAQ-UHFFFAOYSA-N 0 0 409.276 5.493 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3C)n2)cc1C ZINC000408696093 557710906 /nfs/dbraw/zinc/71/09/06/557710906.db2.gz WBEKVBNXWWIDQM-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000408696114 558564551 /nfs/dbraw/zinc/56/45/51/558564551.db2.gz WHJUYOVLJYJANA-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cc(Cl)ccc3C)n2)cc1 ZINC000408696123 558564461 /nfs/dbraw/zinc/56/44/61/558564461.db2.gz WLZHQUXGFDFRIK-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3Cl)nc2-c2ccccc2)cc1 ZINC000408696131 558564594 /nfs/dbraw/zinc/56/45/94/558564594.db2.gz WNYHEZUASKAUIW-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(C)cc2)cc1 ZINC000408696135 558564555 /nfs/dbraw/zinc/56/45/55/558564555.db2.gz WOVQWBQPSJWTMQ-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3C)n2)c(C)c1 ZINC000408696138 558564583 /nfs/dbraw/zinc/56/45/83/558564583.db2.gz WRIYCKUJYQYMKP-UHFFFAOYSA-N 0 0 414.484 5.559 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2ccc(F)cc2)cc1 ZINC000408696144 558564541 /nfs/dbraw/zinc/56/45/41/558564541.db2.gz WSLCKMMLPYGZED-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(F)cc3)n2)cc1 ZINC000408696151 558564708 /nfs/dbraw/zinc/56/47/08/558564708.db2.gz WUEJSHHREZALAJ-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2cccc(C)c2)cc1 ZINC000408696154 558564723 /nfs/dbraw/zinc/56/47/23/558564723.db2.gz WVAWQMWNLFQYAT-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(C)ccc3C)n2)cc1 ZINC000408696156 558564785 /nfs/dbraw/zinc/56/47/85/558564785.db2.gz WXMSODHHDHQOLS-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3)n2)cc1C ZINC000408696161 558564793 /nfs/dbraw/zinc/56/47/93/558564793.db2.gz WYUVXTAIPMAOSY-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000408696165 558564736 /nfs/dbraw/zinc/56/47/36/558564736.db2.gz XCJSGBVWJKLIDT-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccc(F)cc2)nc1-c1ccccc1 ZINC000408696169 558565030 /nfs/dbraw/zinc/56/50/30/558565030.db2.gz XDSDSWUMSZTNOO-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2cccc(C)c2C)cc1 ZINC000408696174 558565933 /nfs/dbraw/zinc/56/59/33/558565933.db2.gz XGLVQCXJJFZCIO-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(F)cc3)n2)cc1C ZINC000408696175 558565957 /nfs/dbraw/zinc/56/59/57/558565957.db2.gz XGNXTMAKOIEKKO-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN COc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(C)c3C)n2)cc1 ZINC000408696179 558566168 /nfs/dbraw/zinc/56/61/68/558566168.db2.gz XHOZRERLARYRHT-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(C)c(C)c2)cc1 ZINC000408696182 558566164 /nfs/dbraw/zinc/56/61/64/558566164.db2.gz XJNKCZHQYKLZCT-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccc(F)cc2)cc1 ZINC000408696184 558566161 /nfs/dbraw/zinc/56/61/61/558566161.db2.gz XKMMVCRJPRDORT-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccc(Cl)cc2)nc1-c1ccc(F)cc1 ZINC000408696189 558566290 /nfs/dbraw/zinc/56/62/90/558566290.db2.gz XNLWPMSAISFMGQ-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)cc3C)n2)cc1 ZINC000408696194 558567309 /nfs/dbraw/zinc/56/73/09/558567309.db2.gz XOSZWMYIYVXRGQ-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cc(C)ccc3C)n2)cc1 ZINC000408696209 558568078 /nfs/dbraw/zinc/56/80/78/558568078.db2.gz XSWAALRDYXKESH-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2cccc(C)c2)cc1 ZINC000408696220 558564319 /nfs/dbraw/zinc/56/43/19/558564319.db2.gz XVOFUWWWEPYVGD-UHFFFAOYSA-N 0 0 416.456 5.033 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(C)cc2)cc1 ZINC000408696226 558564586 /nfs/dbraw/zinc/56/45/86/558564586.db2.gz YBUXLTVIWQPLLY-UHFFFAOYSA-N 0 0 416.456 5.033 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 ZINC000408696238 558575483 /nfs/dbraw/zinc/57/54/83/558575483.db2.gz YKOFJSHJVYKUJL-UHFFFAOYSA-N 0 0 410.811 5.118 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2cc(C)ccc2C)cc1 ZINC000408696243 558575458 /nfs/dbraw/zinc/57/54/58/558575458.db2.gz YOKHOTRTUXRGTH-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)c(C)c1 ZINC000408696247 558575477 /nfs/dbraw/zinc/57/54/77/558575477.db2.gz YOXMHDLLEPUTJC-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2cccc(Cl)c2)cc1C ZINC000408696248 558575390 /nfs/dbraw/zinc/57/53/90/558575390.db2.gz YPKMRBNVVKVGCK-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccc(F)cc2)nc1-c1ccc(F)cc1 ZINC000408696250 558575398 /nfs/dbraw/zinc/57/53/98/558575398.db2.gz YPZMJOQYDLXCOU-UHFFFAOYSA-N 0 0 424.838 5.427 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2cccc(C)c2)cc1 ZINC000408696260 558575386 /nfs/dbraw/zinc/57/53/86/558575386.db2.gz YVFRKGOWXCDDEX-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccc(F)cc2)nc1-c1ccccc1 ZINC000408696261 558575443 /nfs/dbraw/zinc/57/54/43/558575443.db2.gz YVMJNUWMGTXWPS-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(C)c(C)c2)c1 ZINC000408696265 558575382 /nfs/dbraw/zinc/57/53/82/558575382.db2.gz YYYBCSAQGKNUHF-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2cccc(C)c2C)cc1 ZINC000408696268 558575468 /nfs/dbraw/zinc/57/54/68/558575468.db2.gz YZXZNJRDDUTBLZ-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000408696269 558575480 /nfs/dbraw/zinc/57/54/80/558575480.db2.gz ZASPABXBCKVSSZ-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(C)ccc3C)n2)cc1 ZINC000408696276 558575473 /nfs/dbraw/zinc/57/54/73/558575473.db2.gz ZDVBJAUBFZEPGA-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(C)c(C)c2)cc1 ZINC000408696281 557710865 /nfs/dbraw/zinc/71/08/65/557710865.db2.gz ZFEWBHDFWOFHBM-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccccc2)cc1Cl ZINC000408696287 558575422 /nfs/dbraw/zinc/57/54/22/558575422.db2.gz ZHQRWYJEQLRKTK-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN CCOc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(C)c3)n2)cc1 ZINC000408696294 558575447 /nfs/dbraw/zinc/57/54/47/558575447.db2.gz ZKDXQEDOCJWLMX-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2cccc(Cl)c2)cc1 ZINC000408696295 558575450 /nfs/dbraw/zinc/57/54/50/558575450.db2.gz ZKFJFDYFQRBJHW-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(Cl)cc2)c1 ZINC000408696296 558575378 /nfs/dbraw/zinc/57/53/78/558575378.db2.gz ZKGYUJNRAHWGSB-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2cc(C)ccc2C)cc1 ZINC000408696311 557710840 /nfs/dbraw/zinc/71/08/40/557710840.db2.gz ZOOMLEJHLOGDHJ-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000408696326 558575358 /nfs/dbraw/zinc/57/53/58/558575358.db2.gz ZTFNJLQXKSTDBU-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN COc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000408696331 558575439 /nfs/dbraw/zinc/57/54/39/558575439.db2.gz ZUKCAXVTNFTKOJ-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(C)c(C)c2)c1 ZINC000408696341 558575353 /nfs/dbraw/zinc/57/53/53/558575353.db2.gz AAHDJVIGJNQBOS-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2cccc(Cl)c2)cc1 ZINC000408696352 558575463 /nfs/dbraw/zinc/57/54/63/558575463.db2.gz AEMPMYLGZASZSP-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccccc2)cc1Cl ZINC000408696355 558575394 /nfs/dbraw/zinc/57/53/94/558575394.db2.gz AGSDNVOIXJCHIC-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(C)c1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 ZINC000408696357 558575731 /nfs/dbraw/zinc/57/57/31/558575731.db2.gz AHHATKOEPCEXRO-UHFFFAOYSA-N 0 0 404.420 5.082 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(Cl)cc2)c1 ZINC000408696359 558568592 /nfs/dbraw/zinc/56/85/92/558568592.db2.gz AIECWDSEZUGPMO-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(C)c1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2C)n1 ZINC000408696400 558568486 /nfs/dbraw/zinc/56/84/86/558568486.db2.gz AZSPNQIQIBKSQH-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3)n2)c1 ZINC000408696411 558568503 /nfs/dbraw/zinc/56/85/03/558568503.db2.gz BDUIOKHEBFBGHK-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(F)cc2)c1C ZINC000408696453 558568779 /nfs/dbraw/zinc/56/87/79/558568779.db2.gz ACCCMDKKLDFAHJ-UHFFFAOYSA-N 0 0 404.420 5.082 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2cccc(Cl)c2)c(C)c1 ZINC000408696457 558568772 /nfs/dbraw/zinc/56/87/72/558568772.db2.gz ACLUTSQRWBHZHB-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2cc(Cl)ccc2C)cc1 ZINC000408696458 558568776 /nfs/dbraw/zinc/56/87/76/558568776.db2.gz ACOJRLDYHZAJID-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN O=C(Nc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000408696461 558568836 /nfs/dbraw/zinc/56/88/36/558568836.db2.gz ACSLNKHFVBVJHX-UHFFFAOYSA-N 0 0 409.276 5.493 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2cc(C)ccc2C)cc1 ZINC000408696472 558568783 /nfs/dbraw/zinc/56/87/83/558568783.db2.gz ADRXTCPBZLPLJE-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(Cl)c1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 ZINC000408696475 558568833 /nfs/dbraw/zinc/56/88/33/558568833.db2.gz BRSMGKVADDOCDJ-UHFFFAOYSA-N 0 0 424.838 5.427 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(F)cc2)c1 ZINC000408696482 558568729 /nfs/dbraw/zinc/56/87/29/558568729.db2.gz AEPTUCVVXJDWEW-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN COc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3C)n2)c1 ZINC000408696486 558568809 /nfs/dbraw/zinc/56/88/09/558568809.db2.gz AFEVLMVECIRQHM-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000408696492 558568757 /nfs/dbraw/zinc/56/87/57/558568757.db2.gz AFPKUBBJPONEDV-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000408696503 558568806 /nfs/dbraw/zinc/56/88/06/558568806.db2.gz AHICRROMTJVOKC-UHFFFAOYSA-N 0 0 416.912 5.711 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3C)n2)cc1Cl ZINC000408696504 558568812 /nfs/dbraw/zinc/56/88/12/558568812.db2.gz AIBNTYDDPQOLSX-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(F)cc2)c1 ZINC000408696508 558568840 /nfs/dbraw/zinc/56/88/40/558568840.db2.gz AJBMXVJCBDDGJM-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccccc2)cc1Cl ZINC000408696514 558568817 /nfs/dbraw/zinc/56/88/17/558568817.db2.gz AJQJKDATHGMXSG-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2cccc(Cl)c2)c1C ZINC000408696516 558568826 /nfs/dbraw/zinc/56/88/26/558568826.db2.gz AJSQCOYQSZMLRD-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000408696519 558568720 /nfs/dbraw/zinc/56/87/20/558568720.db2.gz AKAFZCJQNYDQJR-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(F)cc2)c1 ZINC000408696535 558568958 /nfs/dbraw/zinc/56/89/58/558568958.db2.gz ALWGTPXNOJGSFB-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN O=C(Nc1cccc2ccccc21)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 ZINC000408696545 558568982 /nfs/dbraw/zinc/56/89/82/558568982.db2.gz ANIKEHJXRQIZPC-UHFFFAOYSA-N 0 0 408.436 5.479 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(F)cc2)c1C ZINC000408696546 558568977 /nfs/dbraw/zinc/56/89/77/558568977.db2.gz ANMQPTNMZRQKFD-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccccc2)c1C ZINC000408696552 558568992 /nfs/dbraw/zinc/56/89/92/558568992.db2.gz AOFKCLKKPZKRRB-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(Cl)cc2)c1 ZINC000408696555 558568959 /nfs/dbraw/zinc/56/89/59/558568959.db2.gz AQGNVEKKCRWKPF-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3C)n2)c1 ZINC000408696566 558568975 /nfs/dbraw/zinc/56/89/75/558568975.db2.gz ASGPJPIWDDEZGT-UHFFFAOYSA-N 0 0 414.484 5.559 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccccc2)c1C ZINC000408696567 558568984 /nfs/dbraw/zinc/56/89/84/558568984.db2.gz CHELMNSSSGHCMF-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(F)cc2)c(C)c1 ZINC000408696573 558568987 /nfs/dbraw/zinc/56/89/87/558568987.db2.gz ATVFMAMANYPJBP-UHFFFAOYSA-N 0 0 414.484 5.559 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccc(F)cc2)cc1 ZINC000408696574 558568967 /nfs/dbraw/zinc/56/89/67/558568967.db2.gz CIJUQGIIKXCOCX-UHFFFAOYSA-N 0 0 422.463 5.787 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000408696575 558568935 /nfs/dbraw/zinc/56/89/35/558568935.db2.gz ATXGRGJBJUIIDB-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN COc1cccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(Cl)cc3)n2)c1 ZINC000408696579 558568978 /nfs/dbraw/zinc/56/89/78/558568978.db2.gz AWMIEYABZQRDBQ-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(Cl)cc2)cc1 ZINC000408696589 558568986 /nfs/dbraw/zinc/56/89/86/558568986.db2.gz CKSVUJUVCIYQKD-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccccc2)cc1C ZINC000408696598 558568969 /nfs/dbraw/zinc/56/89/69/558568969.db2.gz BCBPGWZKXDQWTH-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(OC)cc3)n2)cc1 ZINC000408696605 558568940 /nfs/dbraw/zinc/56/89/40/558568940.db2.gz BDLAFBMCNDGKLY-UHFFFAOYSA-N 0 0 412.493 5.066 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)cc1Cl ZINC000408696611 558568953 /nfs/dbraw/zinc/56/89/53/558568953.db2.gz BELCVBAUXWGREE-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)c1 ZINC000408696617 558568990 /nfs/dbraw/zinc/56/89/90/558568990.db2.gz BFGXAOBSNQEYHH-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(Cl)cc2)c1 ZINC000408696632 558568947 /nfs/dbraw/zinc/56/89/47/558568947.db2.gz CSNBIFLTJPSTEK-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1cccc(Cl)c1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 ZINC000408696636 558568961 /nfs/dbraw/zinc/56/89/61/558568961.db2.gz CVFXLEAZQRUDLZ-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccc3ccccc3c2)nc1-c1ccccc1 ZINC000408696653 558568942 /nfs/dbraw/zinc/56/89/42/558568942.db2.gz DDBGKKMKHKPRQS-UHFFFAOYSA-N 0 0 404.473 5.648 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2cccc(C)c2)cc1 ZINC000408696665 558568966 /nfs/dbraw/zinc/56/89/66/558568966.db2.gz DFPZXEOSKRZTSQ-UHFFFAOYSA-N 0 0 418.500 5.957 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccc(F)cc2)cc1 ZINC000408696669 558568946 /nfs/dbraw/zinc/56/89/46/558568946.db2.gz DGTMFJQZMUICHG-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2ccc(C)c(C)c2)cc1 ZINC000408696692 558568937 /nfs/dbraw/zinc/56/89/37/558568937.db2.gz BFMGHOFYKBYCRT-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(Cl)cc2)c1C ZINC000408696694 558568964 /nfs/dbraw/zinc/56/89/64/558568964.db2.gz BGHHZRYOXUOVJM-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(C)c(C)c2)c1 ZINC000408696713 558568955 /nfs/dbraw/zinc/56/89/55/558568955.db2.gz BJYOXGWGWZSVHJ-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN COc1ccccc1NC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000408696718 558568950 /nfs/dbraw/zinc/56/89/50/558568950.db2.gz BLEHCUASDFAUSN-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2cccc(Cl)c2)cc1 ZINC000408696723 557710667 /nfs/dbraw/zinc/71/06/67/557710667.db2.gz BLGRLABKOKJKOW-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccccc2)c(C)c1 ZINC000408696726 558568973 /nfs/dbraw/zinc/56/89/73/558568973.db2.gz BMGCCFCXGLDTQN-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccc(F)cc2)c1 ZINC000408696733 558568980 /nfs/dbraw/zinc/56/89/80/558568980.db2.gz DVTSWTYYRVLKCN-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccccc2Cl)nc1-c1ccccc1 ZINC000408696735 558568963 /nfs/dbraw/zinc/56/89/63/558568963.db2.gz BMPSMWDLNRVDSP-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)nn2-c2ccc(Cl)cc2)cc1 ZINC000408696742 558569189 /nfs/dbraw/zinc/56/91/89/558569189.db2.gz BOVQGYMNQYGBMA-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)c1C ZINC000408696745 558569121 /nfs/dbraw/zinc/56/91/21/558569121.db2.gz BOWUDWXRIKFAIL-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(Cl)c3C)n2)c1 ZINC000408696747 557710696 /nfs/dbraw/zinc/71/06/96/557710696.db2.gz BPLVLMCCKUGZPM-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN COc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2C)n1 ZINC000408696774 558569180 /nfs/dbraw/zinc/56/91/80/558569180.db2.gz BRXDBPVVQFHHSY-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)c1 ZINC000408696775 558569130 /nfs/dbraw/zinc/56/91/30/558569130.db2.gz BSIMCZHQXZLZDH-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3C)n2)c1C ZINC000408696783 558569199 /nfs/dbraw/zinc/56/91/99/558569199.db2.gz BTTZFTSGKZECSN-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(Cl)ccc3C)n2)c1 ZINC000408696788 558569147 /nfs/dbraw/zinc/56/91/47/558569147.db2.gz BVPHGXLFBKSNPN-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(F)cc2)cc1Cl ZINC000408696790 558569106 /nfs/dbraw/zinc/56/91/06/558569106.db2.gz BVXRORCJURLZRG-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(Cl)cc3)n2)c1 ZINC000408696795 558569091 /nfs/dbraw/zinc/56/90/91/558569091.db2.gz BYDJQKCYIQIXDI-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccc(Cl)cc2)c1 ZINC000408696796 558569141 /nfs/dbraw/zinc/56/91/41/558569141.db2.gz BYDMAPCXHWOLJD-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)c1 ZINC000408696797 558569171 /nfs/dbraw/zinc/56/91/71/558569171.db2.gz BYLWTHSONCVDMP-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2cccc(C)c2)n1 ZINC000408696798 558569098 /nfs/dbraw/zinc/56/90/98/558569098.db2.gz BYSYDEDEZBIEQL-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(Cl)cc2)cc1 ZINC000408696801 558569192 /nfs/dbraw/zinc/56/91/92/558569192.db2.gz BZEXWDIZOYODDS-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3C)n2)cc1 ZINC000408696804 558569137 /nfs/dbraw/zinc/56/91/37/558569137.db2.gz BZXDJIUUAPOSLK-UHFFFAOYSA-N 0 0 416.912 5.711 40 0 HKABRN Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccccc2)nc1-c1ccc(F)cc1 ZINC000408696810 558569183 /nfs/dbraw/zinc/56/91/83/558569183.db2.gz CBRHBENICCPYFW-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccccc2C)cc1 ZINC000408696817 558569134 /nfs/dbraw/zinc/56/91/34/558569134.db2.gz CELXZDXDZLALQL-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(F)cc2)cc1 ZINC000408696819 558569196 /nfs/dbraw/zinc/56/91/96/558569196.db2.gz CGBLSOQLSUXELA-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(F)cc2)c1 ZINC000408696823 558569085 /nfs/dbraw/zinc/56/90/85/558569085.db2.gz CHBBDCLCLPXOGG-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(F)cc2)c(C)c1 ZINC000408696826 558569186 /nfs/dbraw/zinc/56/91/86/558569186.db2.gz CHSPEIMQNDYTAY-UHFFFAOYSA-N 0 0 404.420 5.082 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)c1 ZINC000408696827 558569164 /nfs/dbraw/zinc/56/91/64/558569164.db2.gz CHTHPWSZRPAEQK-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(Cl)cc3)n2)c1 ZINC000408696828 558569125 /nfs/dbraw/zinc/56/91/25/558569125.db2.gz CHWVHGFLDAJFOW-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(C)c(Cl)c2)c1 ZINC000408696830 558569159 /nfs/dbraw/zinc/56/91/59/558569159.db2.gz CIKKFSWGQMCHJD-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2cc(Cl)ccc2C)cc1 ZINC000408696838 558569095 /nfs/dbraw/zinc/56/90/95/558569095.db2.gz CLTYBEKNPLHBSH-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccc3ccccc3c2)nc1-c1ccc(F)cc1 ZINC000408696843 558569144 /nfs/dbraw/zinc/56/91/44/558569144.db2.gz FFZHERXSLYKICU-UHFFFAOYSA-N 0 0 422.463 5.787 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(F)cc2)c1 ZINC000408696847 558569102 /nfs/dbraw/zinc/56/91/02/558569102.db2.gz FGWFHZKKOLIXNO-UHFFFAOYSA-N 0 0 414.484 5.559 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccccc2)c1 ZINC000408696858 558569117 /nfs/dbraw/zinc/56/91/17/558569117.db2.gz FIVXOJOPYUJTTA-UHFFFAOYSA-N 0 0 404.473 5.648 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccc(C)c(C)c2)c1 ZINC000408696861 558569177 /nfs/dbraw/zinc/56/91/77/558569177.db2.gz FJADKMRNCXXLRV-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2cccc(Cl)c2)cc1 ZINC000408696865 558569167 /nfs/dbraw/zinc/56/91/67/558569167.db2.gz FKOMBMQYKICAQZ-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2cccc(C)c2)cc1 ZINC000408696867 558569395 /nfs/dbraw/zinc/56/93/95/558569395.db2.gz FLFUUYPOVBGHPT-UHFFFAOYSA-N 0 0 416.456 5.033 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2cccc(Cl)c2)c1 ZINC000408696882 558569397 /nfs/dbraw/zinc/56/93/97/558569397.db2.gz FQPSHLPCFCGNEJ-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(F)cc2)cc1C ZINC000408696902 558569371 /nfs/dbraw/zinc/56/93/71/558569371.db2.gz FYKXZTKPXHAITP-UHFFFAOYSA-N 0 0 404.420 5.082 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2cccc(Cl)c2)c(C)c1 ZINC000408696905 558569393 /nfs/dbraw/zinc/56/93/93/558569393.db2.gz GAADPIQPELYPIG-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2cccc(C)c2)c1 ZINC000408696918 558569394 /nfs/dbraw/zinc/56/93/94/558569394.db2.gz GETIWFNZMRCTSJ-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2cccc(C)c2C)c1 ZINC000408696935 558569367 /nfs/dbraw/zinc/56/93/67/558569367.db2.gz GKAXHEWQYSZIRZ-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccccc2)c(C)c1 ZINC000408696945 558569388 /nfs/dbraw/zinc/56/93/88/558569388.db2.gz CNTPIBTVNPSLFV-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2ccc(F)cc2)c1 ZINC000408696947 558569390 /nfs/dbraw/zinc/56/93/90/558569390.db2.gz CNYBPZVLOGOXDI-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(C)c(C)c2)c1 ZINC000408696949 558569386 /nfs/dbraw/zinc/56/93/86/558569386.db2.gz COIDGBPIVXLUOU-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2cccc(Cl)c2)nc1-c1ccc(F)cc1 ZINC000408696951 558569354 /nfs/dbraw/zinc/56/93/54/558569354.db2.gz COMABNQXNFLMGX-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(C)cc2)cc1 ZINC000408696961 558569361 /nfs/dbraw/zinc/56/93/61/558569361.db2.gz CTJKWJXCVNLHFO-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2cccc(Cl)c2)cc1 ZINC000408696962 558569392 /nfs/dbraw/zinc/56/93/92/558569392.db2.gz CTJRZTPVIXJZAW-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cccc4ccccc43)nc2-c2ccccc2)c1 ZINC000408696965 558569398 /nfs/dbraw/zinc/56/93/98/558569398.db2.gz CUNCAQLTRDJYMK-UHFFFAOYSA-N 0 0 404.473 5.648 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccc(F)cc2)cc1 ZINC000408696969 558569384 /nfs/dbraw/zinc/56/93/84/558569384.db2.gz CWGKCYLZVBDINY-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1Cl ZINC000408696978 558569396 /nfs/dbraw/zinc/56/93/96/558569396.db2.gz DAYDXTOYYCUPJN-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2cccc(C)c2)cc1 ZINC000408696980 558569401 /nfs/dbraw/zinc/56/94/01/558569401.db2.gz DCISVNLHHRGJTF-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccccc2)c(C)c1 ZINC000408696984 558569389 /nfs/dbraw/zinc/56/93/89/558569389.db2.gz DEOFDDMLGIRBRR-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cccc4ccccc43)nc2-c2ccc(F)cc2)c1 ZINC000408696985 558569358 /nfs/dbraw/zinc/56/93/58/558569358.db2.gz DESUUWITVIQNFY-UHFFFAOYSA-N 0 0 422.463 5.787 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cc(Cl)ccc3C)n2)c1 ZINC000408696987 558569399 /nfs/dbraw/zinc/56/93/99/558569399.db2.gz DFKFOERBHIEULW-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nc2-c2ccccc2)cc1 ZINC000408696989 558569391 /nfs/dbraw/zinc/56/93/91/558569391.db2.gz DHFBISYBGJZSNE-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccccc2)c1 ZINC000408696993 558569376 /nfs/dbraw/zinc/56/93/76/558569376.db2.gz DIUKSXWWSMGZSF-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2cccc(Cl)c2)c(C)c1 ZINC000408696995 558569378 /nfs/dbraw/zinc/56/93/78/558569378.db2.gz DJMMNOSVSRUCNM-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccc(F)cc2)c1 ZINC000408697000 558569400 /nfs/dbraw/zinc/56/94/00/558569400.db2.gz DMEHAFSNQAVQBV-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(Cl)cc2)c1C ZINC000408697001 558569364 /nfs/dbraw/zinc/56/93/64/558569364.db2.gz DMTQHVXYNKVCHQ-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2ccc(F)cc2)c1 ZINC000408697005 558569380 /nfs/dbraw/zinc/56/93/80/558569380.db2.gz DNVGZEHSRQXUDZ-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C)c3C)n2)cc1Cl ZINC000408697007 558569369 /nfs/dbraw/zinc/56/93/69/558569369.db2.gz DOBGPFOZAAJGMT-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2cccc(C)c2)cc1 ZINC000408697012 558569382 /nfs/dbraw/zinc/56/93/82/558569382.db2.gz DPHJRDGCRLFKMW-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)c1C ZINC000408697032 558569344 /nfs/dbraw/zinc/56/93/44/558569344.db2.gz DVEGHIUITDCWIE-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2cccc(C)c2)c1 ZINC000408697033 558569373 /nfs/dbraw/zinc/56/93/73/558569373.db2.gz DVGOEFOIDWLZMZ-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(F)cc2)cc1 ZINC000408697036 558569510 /nfs/dbraw/zinc/56/95/10/558569510.db2.gz DYGWWWOCKBLYFY-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2cc(C)ccc2C)c1 ZINC000408697045 558569419 /nfs/dbraw/zinc/56/94/19/558569419.db2.gz GMEACHIORHIROX-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2ccc(C)cc2)cc1 ZINC000408697053 558569489 /nfs/dbraw/zinc/56/94/89/558569489.db2.gz GOSRYKRYFQUFMN-UHFFFAOYSA-N 0 0 418.500 5.957 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2cccc(C)c2C)cc1 ZINC000408697065 558569448 /nfs/dbraw/zinc/56/94/48/558569448.db2.gz GWQYFJCPHOOPSI-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1cccc(Cl)c1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 ZINC000408697091 558569484 /nfs/dbraw/zinc/56/94/84/558569484.db2.gz HHBVFYIFTHIXDT-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccc(F)cc2)c1 ZINC000408697093 558569458 /nfs/dbraw/zinc/56/94/58/558569458.db2.gz HHJQBPGXKXXNJM-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2ccc(F)cc2)c1 ZINC000408697099 558569514 /nfs/dbraw/zinc/56/95/14/558569514.db2.gz HIZOXCNIBKSBJO-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN COc1cccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000408697123 558569506 /nfs/dbraw/zinc/56/95/06/558569506.db2.gz HQIMGAMBPPOOQO-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2ccccc2C)cc1 ZINC000408697127 558569462 /nfs/dbraw/zinc/56/94/62/558569462.db2.gz HSSDABQKNLXPCH-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccccc2)cc1Cl ZINC000408697151 558569434 /nfs/dbraw/zinc/56/94/34/558569434.db2.gz FFECDFUTDFHGOT-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(OC)cc3)n2)cc1 ZINC000408697152 558569429 /nfs/dbraw/zinc/56/94/29/558569429.db2.gz FGXPNXJCKSHEPU-UHFFFAOYSA-N 0 0 412.493 5.066 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2cccc(Cl)c2)cc1 ZINC000408697159 558569412 /nfs/dbraw/zinc/56/94/12/558569412.db2.gz FKEMFLWHWCIHID-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccccc2)cc1 ZINC000408697161 558569445 /nfs/dbraw/zinc/56/94/45/558569445.db2.gz FKPFWTIWKBIGQF-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3)n2)cc1 ZINC000408697170 558569493 /nfs/dbraw/zinc/56/94/93/558569493.db2.gz FNMGNQNSMIKYRP-UHFFFAOYSA-N 0 0 416.912 5.711 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2cccc(C)c2)cc1 ZINC000408697171 558569423 /nfs/dbraw/zinc/56/94/23/558569423.db2.gz FOQDIEHFCXZIPM-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(Cl)cc2)c1 ZINC000408697173 558569496 /nfs/dbraw/zinc/56/94/96/558569496.db2.gz FPOTYMJTMUSRHU-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nn2-c2ccccc2)cc1 ZINC000408697181 558569469 /nfs/dbraw/zinc/56/94/69/558569469.db2.gz FSBQFDBSBPNWNH-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccccc2C)c1 ZINC000408697185 558569453 /nfs/dbraw/zinc/56/94/53/558569453.db2.gz FSYJBKLAEXITFB-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(C)cc2)cc1 ZINC000408697187 558569477 /nfs/dbraw/zinc/56/94/77/558569477.db2.gz FTMMYNPJMRLXKM-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccccc2C)n1 ZINC000408697189 558569524 /nfs/dbraw/zinc/56/95/24/558569524.db2.gz FTVOVMHPJUWTJR-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2ccc(Cl)cc2)cc1 ZINC000408697195 558569527 /nfs/dbraw/zinc/56/95/27/558569527.db2.gz FWGWNBTZOIYTGD-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2ccc(Cl)cc2)c1 ZINC000408697197 558569474 /nfs/dbraw/zinc/56/94/74/558569474.db2.gz FXSDMQGVTUBGJJ-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)cc1 ZINC000408697203 558569519 /nfs/dbraw/zinc/56/95/19/558569519.db2.gz FZYIKFXJWYNBFW-UHFFFAOYSA-N 0 0 416.912 5.711 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(F)cc2)c1 ZINC000408697205 558569481 /nfs/dbraw/zinc/56/94/81/558569481.db2.gz GAQBPHLGVKBBDN-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN COc1ccccc1NC(=O)c1nc(-c2ccc(C)cc2)n(-c2cccc(C)c2C)n1 ZINC000408697208 558569427 /nfs/dbraw/zinc/56/94/27/558569427.db2.gz GBUHRRLZJUWMFA-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3)n2)c1C ZINC000408697213 558569415 /nfs/dbraw/zinc/56/94/15/558569415.db2.gz GCTIVLDIIBGIRR-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN COc1ccccc1NC(=O)c1nc(-c2cccc(C)c2)n(-c2cc(C)ccc2C)n1 ZINC000408697214 558569466 /nfs/dbraw/zinc/56/94/66/558569466.db2.gz GCUDTXKEOQFCFK-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000408697216 558569409 /nfs/dbraw/zinc/56/94/09/558569409.db2.gz GDGMSTGQCDSDRT-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(F)cc2)cc1C ZINC000408697217 558569700 /nfs/dbraw/zinc/56/97/00/558569700.db2.gz GEKJYECBBGLCNR-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccc(C)c(Cl)c2)c1 ZINC000408697219 558569676 /nfs/dbraw/zinc/56/96/76/558569676.db2.gz GFINFAUFQQWKPF-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccc(F)cc2)c1 ZINC000408697234 558569780 /nfs/dbraw/zinc/56/97/80/558569780.db2.gz GJIARAIXMLGTKV-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(C)c(Cl)c2)cc1 ZINC000408697243 558569662 /nfs/dbraw/zinc/56/96/62/558569662.db2.gz HZPLKLQNAZMDBW-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2cccc(C)c2C)cc1 ZINC000408697259 558569685 /nfs/dbraw/zinc/56/96/85/558569685.db2.gz IFFKNYJRQQUQEB-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc(F)c2)nc1-c1ccc(F)cc1 ZINC000408697276 558569729 /nfs/dbraw/zinc/56/97/29/558569729.db2.gz IJTIMSXYKHVTHR-UHFFFAOYSA-N 0 0 424.838 5.427 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccccc2)cc1Cl ZINC000408697288 558569755 /nfs/dbraw/zinc/56/97/55/558569755.db2.gz IMXJIGNREWGBCR-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN O=C(Nc1ccc2ccccc2c1)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 ZINC000408697289 558569720 /nfs/dbraw/zinc/56/97/20/558569720.db2.gz IMZDVSBEUSMBJV-UHFFFAOYSA-N 0 0 424.891 5.993 40 0 HKABRN O=C(Nc1ccc2ccccc2c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000408697294 558569735 /nfs/dbraw/zinc/56/97/35/558569735.db2.gz INZXGLGCBYORMC-UHFFFAOYSA-N 0 0 424.891 5.993 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(Cl)cc2)cc1 ZINC000408697300 558569772 /nfs/dbraw/zinc/56/97/72/558569772.db2.gz IPZRWTRHPALMTC-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccccc2)cc1 ZINC000408697304 558569656 /nfs/dbraw/zinc/56/96/56/558569656.db2.gz IRRGAJOKUYBURL-UHFFFAOYSA-N 0 0 404.473 5.648 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2cccc(C)c2)cc1 ZINC000408697317 558569768 /nfs/dbraw/zinc/56/97/68/558569768.db2.gz IXTQRWPWSSGWTC-UHFFFAOYSA-N 0 0 418.500 5.957 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2ccccc2C)c1 ZINC000408697326 558569750 /nfs/dbraw/zinc/56/97/50/558569750.db2.gz JARHPCUGCGEIFG-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(F)cc2)c1C ZINC000408697340 558569776 /nfs/dbraw/zinc/56/97/76/558569776.db2.gz JESUHTBVTKXPEE-UHFFFAOYSA-N 0 0 414.484 5.559 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(F)cc3)n2)c1C ZINC000408697350 558569724 /nfs/dbraw/zinc/56/97/24/558569724.db2.gz GOGJXWROJVJXQK-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccccc2C)c1 ZINC000408697353 558569763 /nfs/dbraw/zinc/56/97/63/558569763.db2.gz GOIJZEDCFLTWSF-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 ZINC000408697354 558569706 /nfs/dbraw/zinc/56/97/06/558569706.db2.gz GOPXJSICYLKGCW-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccccc2)cc1C ZINC000408697359 558569666 /nfs/dbraw/zinc/56/96/66/558569666.db2.gz GPKXKMAEJGPWQH-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2cccc(C)c2C)c1 ZINC000408697361 558569693 /nfs/dbraw/zinc/56/96/93/558569693.db2.gz GQBYPZMFWFJLIB-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN O=C(Nc1ccccc1F)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 ZINC000408697365 558569689 /nfs/dbraw/zinc/56/96/89/558569689.db2.gz GRTIINYANWHADC-UHFFFAOYSA-N 0 0 410.811 5.118 40 0 HKABRN Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccccc2F)nc1-c1ccc(F)cc1 ZINC000408697372 558569759 /nfs/dbraw/zinc/56/97/59/558569759.db2.gz GTYHFPRQRRVUKX-UHFFFAOYSA-N 0 0 424.838 5.427 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000408697379 558569695 /nfs/dbraw/zinc/56/96/95/558569695.db2.gz GVRDVHHGPUBBLT-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 ZINC000408697380 558569740 /nfs/dbraw/zinc/56/97/40/558569740.db2.gz GVRFIAKPTGYRCO-UHFFFAOYSA-N 0 0 424.838 5.427 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2cccc(Cl)c2)cc1 ZINC000408697381 558569714 /nfs/dbraw/zinc/56/97/14/558569714.db2.gz GVTWJRQZPQZSRJ-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)nn2-c2cc(Cl)ccc2C)cc1 ZINC000408697388 558569672 /nfs/dbraw/zinc/56/96/72/558569672.db2.gz GXORORBIRLMHPG-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(C)c3)n2)cc1 ZINC000408697390 558569651 /nfs/dbraw/zinc/56/96/51/558569651.db2.gz GYDPADUYDFKWJE-UHFFFAOYSA-N 0 0 414.484 5.505 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2cccc(C)c2)cc1 ZINC000408697392 558569747 /nfs/dbraw/zinc/56/97/47/558569747.db2.gz GYHSBVXOOAXTTP-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2cccc(Cl)c2)cc1Cl ZINC000408697395 558569744 /nfs/dbraw/zinc/56/97/44/558569744.db2.gz GYXNJVKPSMJXQU-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(Cl)cc2)cc1C ZINC000408697396 558569936 /nfs/dbraw/zinc/56/99/36/558569936.db2.gz GZGDMOSMMOEZQV-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2cccc(Cl)c2)cc1C ZINC000408697400 558569892 /nfs/dbraw/zinc/56/98/92/558569892.db2.gz HAECLEGESCPKQG-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(C)c(C)c2)cc1 ZINC000408697403 558569951 /nfs/dbraw/zinc/56/99/51/558569951.db2.gz HAQJLBCFKXKAFE-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1cccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)cc3C)n2)c1 ZINC000408697410 558569865 /nfs/dbraw/zinc/56/98/65/558569865.db2.gz HCPSZURRGZIOOQ-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(C)cc2)cc1 ZINC000408697412 558569943 /nfs/dbraw/zinc/56/99/43/558569943.db2.gz HDCLXLPYIRKINE-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccccc2)cc1 ZINC000408697420 558569874 /nfs/dbraw/zinc/56/98/74/558569874.db2.gz HGSBDDDFBJSZON-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(F)cc3)n2)c1 ZINC000408697424 558569879 /nfs/dbraw/zinc/56/98/79/558569879.db2.gz HHTGVMQJTWKETI-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2cccc(C)c2)cc1 ZINC000408697426 558569945 /nfs/dbraw/zinc/56/99/45/558569945.db2.gz HIUYNEMLBIKLGY-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)c1 ZINC000408697430 558569906 /nfs/dbraw/zinc/56/99/06/558569906.db2.gz HJLFSDRPYBHKTM-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2cccc(C)c2)cc1 ZINC000408697434 558569869 /nfs/dbraw/zinc/56/98/69/558569869.db2.gz HLDHBGWISGZJRK-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3C)n2)c1 ZINC000408697439 558569872 /nfs/dbraw/zinc/56/98/72/558569872.db2.gz HNSHPUARWFYZHY-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccc(F)cc2)c1 ZINC000408697461 558569940 /nfs/dbraw/zinc/56/99/40/558569940.db2.gz JNHPELMFZUFQDY-UHFFFAOYSA-N 0 0 422.463 5.787 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2ccccc2)cc1 ZINC000408697486 558569870 /nfs/dbraw/zinc/56/98/70/558569870.db2.gz JSVAIAATESHXIL-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccccc2)c(C)c1 ZINC000408697499 558569933 /nfs/dbraw/zinc/56/99/33/558569933.db2.gz JWOSPDBOSQOLBF-UHFFFAOYSA-N 0 0 418.500 5.957 40 0 HKABRN Cc1cccc(C)c1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 ZINC000408697517 558569949 /nfs/dbraw/zinc/56/99/49/558569949.db2.gz KACWDRCPMMXUOQ-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(C)c1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000408697520 558569920 /nfs/dbraw/zinc/56/99/20/558569920.db2.gz KAHNZMQOSUMZTG-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(C)c(Cl)c2)c1 ZINC000408697525 558569876 /nfs/dbraw/zinc/56/98/76/558569876.db2.gz KDCILFIGMZSKFN-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2ccc(C)cc2C)cc1 ZINC000408697541 558569926 /nfs/dbraw/zinc/56/99/26/558569926.db2.gz HNVNMKYCBQJPBE-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccccc2C)c1 ZINC000408697550 558569923 /nfs/dbraw/zinc/56/99/23/558569923.db2.gz HQSGMMMPJQDHPO-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(Cl)ccc3C)n2)cc1 ZINC000408697559 558569867 /nfs/dbraw/zinc/56/98/67/558569867.db2.gz HTZNHDBAABDNIO-UHFFFAOYSA-N 0 0 416.912 5.711 40 0 HKABRN O=C(Nc1cccc(Cl)c1)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 ZINC000408697560 558569954 /nfs/dbraw/zinc/56/99/54/558569954.db2.gz HUMIIVHBRJFNPS-UHFFFAOYSA-N 0 0 409.276 5.493 40 0 HKABRN O=C(Nc1cccc2ccccc21)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 ZINC000408697562 558569930 /nfs/dbraw/zinc/56/99/30/558569930.db2.gz HWEKCZGYWVVJHE-UHFFFAOYSA-N 0 0 424.891 5.993 40 0 HKABRN COc1ccccc1NC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccc(C)cc2C)n1 ZINC000408697578 558569880 /nfs/dbraw/zinc/56/98/80/558569880.db2.gz IDDRCIOGJDYZTC-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN COc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)cc3)n2)c1 ZINC000408697580 558570137 /nfs/dbraw/zinc/57/01/37/558570137.db2.gz IEFHJDILLNRQDQ-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2cc(Cl)ccc2C)c1 ZINC000408697584 558570159 /nfs/dbraw/zinc/57/01/59/558570159.db2.gz IFONXAOCTMOVCB-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccc(F)cc2)cc1 ZINC000408697586 558570190 /nfs/dbraw/zinc/57/01/90/558570190.db2.gz IFYYTOCFNOWIEL-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2cccc(Cl)c2)cc1 ZINC000408697596 558570212 /nfs/dbraw/zinc/57/02/12/558570212.db2.gz IIQOXHWFDVPEOW-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccccc2Cl)nc1-c1ccc(F)cc1 ZINC000408697599 558570093 /nfs/dbraw/zinc/57/00/93/558570093.db2.gz IJKIXXKSPAIEMW-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccccc2)cc1 ZINC000408697601 558570080 /nfs/dbraw/zinc/57/00/80/558570080.db2.gz IJVYARUTXPEEED-UHFFFAOYSA-N 0 0 418.884 5.239 40 0 HKABRN Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000408697602 558570147 /nfs/dbraw/zinc/57/01/47/558570147.db2.gz IKEASTTXOJEJOH-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN O=C(Nc1cccc2ccccc21)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000408697603 558570132 /nfs/dbraw/zinc/57/01/32/558570132.db2.gz IKLYXPZJEKMDAJ-UHFFFAOYSA-N 0 0 424.891 5.993 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(F)cc2)cc1 ZINC000408697604 558570198 /nfs/dbraw/zinc/57/01/98/558570198.db2.gz IKRSSXIKXKVVCX-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc4ccccc43)nn2-c2ccc(C)cc2)cc1 ZINC000408697609 558570076 /nfs/dbraw/zinc/57/00/76/558570076.db2.gz INHHADORFBGTEO-UHFFFAOYSA-N 0 0 418.500 5.957 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(Cl)ccc3C)n2)c1 ZINC000408697614 558570219 /nfs/dbraw/zinc/57/02/19/558570219.db2.gz IPMCACMGVCPYTL-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000408697618 558570214 /nfs/dbraw/zinc/57/02/14/558570214.db2.gz IQMKAYUYLNVYRG-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2cccc(C)c2C)cc1 ZINC000408697619 558570127 /nfs/dbraw/zinc/57/01/27/558570127.db2.gz IQNNGEJTXIKYOZ-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3C)n2)c1C ZINC000408697620 558570152 /nfs/dbraw/zinc/57/01/52/558570152.db2.gz IQWMJBSLSVBSQZ-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccccc2)cc1 ZINC000408697623 558570224 /nfs/dbraw/zinc/57/02/24/558570224.db2.gz IRKMBLOWXJQBRL-UHFFFAOYSA-N 0 0 418.884 5.239 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2cccc(Cl)c2C)cc1 ZINC000408697624 558570210 /nfs/dbraw/zinc/57/02/10/558570210.db2.gz IRNBNKLMTYAJQE-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccccc2)cc1C ZINC000408697625 558570097 /nfs/dbraw/zinc/57/00/97/558570097.db2.gz IRRZYGYOMKHYPR-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)c1C ZINC000408697626 558570205 /nfs/dbraw/zinc/57/02/05/558570205.db2.gz ISGZWBSZLFFSIG-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)cc1 ZINC000408697634 558570121 /nfs/dbraw/zinc/57/01/21/558570121.db2.gz IVPOFZDUKOOMHD-UHFFFAOYSA-N 0 0 416.912 5.711 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(F)cc2)cc1C ZINC000408697637 558570202 /nfs/dbraw/zinc/57/02/02/558570202.db2.gz IWBHDJWEQOLYAL-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2c(C)cccc2Cl)nc1-c1ccccc1 ZINC000408697680 558570396 /nfs/dbraw/zinc/57/03/96/558570396.db2.gz KYQAFQBRXDNCFL-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2cccc(C)c2C)c1 ZINC000408697693 558570425 /nfs/dbraw/zinc/57/04/25/558570425.db2.gz LCHNCUHNROLCRE-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2ccccc2C)c1 ZINC000408697727 558570367 /nfs/dbraw/zinc/57/03/67/558570367.db2.gz LNXFAZLIYAWZLD-UHFFFAOYSA-N 0 0 418.500 5.957 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(F)cc2)c1 ZINC000408697742 558570380 /nfs/dbraw/zinc/57/03/80/558570380.db2.gz IXUSPNFLHWGTCG-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN COc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2C)n1 ZINC000408697743 558570317 /nfs/dbraw/zinc/57/03/17/558570317.db2.gz IXYDSDAYEHAXKQ-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccccc2)c1C ZINC000408697745 558570392 /nfs/dbraw/zinc/57/03/92/558570392.db2.gz IZSLWBZCQCIAQK-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(Cl)cc2)c1 ZINC000408697746 558570364 /nfs/dbraw/zinc/57/03/64/558570364.db2.gz JAZIIYMAZQIUKA-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3)n2)c1 ZINC000408697752 558570447 /nfs/dbraw/zinc/57/04/47/558570447.db2.gz JCLWJFZKHXOIST-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)c1C ZINC000408697760 558570422 /nfs/dbraw/zinc/57/04/22/558570422.db2.gz JEXXVMQSYWFNLV-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(F)cc2)cc1Cl ZINC000408697769 558570388 /nfs/dbraw/zinc/57/03/88/558570388.db2.gz JGLUUPGVUMAWKU-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2ccc(C)c(C)c2)cc1 ZINC000408697770 558570450 /nfs/dbraw/zinc/57/04/50/558570450.db2.gz JGMHSKVZVOGMJW-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3F)nc2-c2cccc(Cl)c2)c1 ZINC000408697771 558570307 /nfs/dbraw/zinc/57/03/07/558570307.db2.gz JGPSNOYEKSQVIA-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3cccc4ccccc43)nc2-c2ccccc2)cc1 ZINC000408697774 558570445 /nfs/dbraw/zinc/57/04/45/558570445.db2.gz JHWJLXOOXDXTCS-UHFFFAOYSA-N 0 0 420.472 5.348 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccccc2)c1 ZINC000408697775 558570456 /nfs/dbraw/zinc/57/04/56/558570456.db2.gz JHZNEGCAUQUZLZ-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 ZINC000408697779 558570433 /nfs/dbraw/zinc/57/04/33/558570433.db2.gz JJAIFTRLDMTHMG-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN COc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)cc3)n2)c1 ZINC000408697786 558570443 /nfs/dbraw/zinc/57/04/43/558570443.db2.gz JLCQCKURBVRGBY-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)c1C ZINC000408697791 558570384 /nfs/dbraw/zinc/57/03/84/558570384.db2.gz JNKMUMHFAASQBM-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(F)cc2)cc1C ZINC000408697797 558570372 /nfs/dbraw/zinc/57/03/72/558570372.db2.gz JQNPOMQMWFJDEE-UHFFFAOYSA-N 0 0 414.484 5.559 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccccc2)c1 ZINC000408697798 558570352 /nfs/dbraw/zinc/57/03/52/558570352.db2.gz JRCSNNPFBZXNFY-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(F)cc3)n2)c1C ZINC000408697805 558570441 /nfs/dbraw/zinc/57/04/41/558570441.db2.gz JSKIDVKSJBRUNM-UHFFFAOYSA-N 0 0 404.420 5.082 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(C)cc2C)c1 ZINC000408697806 558570360 /nfs/dbraw/zinc/57/03/60/558570360.db2.gz JSYNGVHRMJDNKS-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2ccc(C)cc2C)cc1 ZINC000408697810 558570607 /nfs/dbraw/zinc/57/06/07/558570607.db2.gz JTNZGYOSESQJQT-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)nn2-c2cccc(Cl)c2C)cc1 ZINC000408697812 558570603 /nfs/dbraw/zinc/57/06/03/558570603.db2.gz JTZKQADTMJSBQC-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)c(C)c3)n2)cc1 ZINC000408697815 558570618 /nfs/dbraw/zinc/57/06/18/558570618.db2.gz JUTKNFPPEMLEAX-UHFFFAOYSA-N 0 0 410.521 5.674 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)cc3)n2)cc1 ZINC000408697817 558570561 /nfs/dbraw/zinc/57/05/61/558570561.db2.gz JVKKVKJWDVCZFG-UHFFFAOYSA-N 0 0 400.457 5.197 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)cc3C)n2)cc1 ZINC000408697819 558570580 /nfs/dbraw/zinc/57/05/80/558570580.db2.gz JVTYAYNSKVKCKW-UHFFFAOYSA-N 0 0 410.521 5.674 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2cccc(Cl)c2)cc1 ZINC000408697820 558570614 /nfs/dbraw/zinc/57/06/14/558570614.db2.gz JVXZLJNQKFLIPV-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2cccc(Cl)c2C)n1 ZINC000408697833 558570594 /nfs/dbraw/zinc/57/05/94/558570594.db2.gz KAAJDAHLGSEJRS-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2ccc(Cl)cc2)cc1 ZINC000408697837 558570564 /nfs/dbraw/zinc/57/05/64/558570564.db2.gz KBSVVTRVDKJZRJ-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(C)c1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 ZINC000408697841 558570575 /nfs/dbraw/zinc/57/05/75/558570575.db2.gz LSBZPTIDVOOUJX-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(C)c(C)c2)cc1 ZINC000408697845 558570610 /nfs/dbraw/zinc/57/06/10/558570610.db2.gz LTNMWWVQHWWXEE-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc(F)c2)nc1-c1ccc(F)cc1 ZINC000408697849 558570534 /nfs/dbraw/zinc/57/05/34/558570534.db2.gz LVHQWCBQOQYJTD-UHFFFAOYSA-N 0 0 424.838 5.427 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2cccc(Cl)c2)c1C ZINC000408697850 558570536 /nfs/dbraw/zinc/57/05/36/558570536.db2.gz LWIYDPIYDACODE-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(F)cc2)c1C ZINC000408697864 558570617 /nfs/dbraw/zinc/57/06/17/558570617.db2.gz MANMKBIWDZAQRB-UHFFFAOYSA-N 0 0 404.420 5.082 40 0 HKABRN O=C(Nc1ccc2ccccc2c1)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 ZINC000408697865 558570620 /nfs/dbraw/zinc/57/06/20/558570620.db2.gz MAXZRIXJNUVRDQ-UHFFFAOYSA-N 0 0 408.436 5.479 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2ccccc2C)cc1 ZINC000408697875 558570544 /nfs/dbraw/zinc/57/05/44/558570544.db2.gz MDUZGETULRSPIV-UHFFFAOYSA-N 0 0 418.500 5.957 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2cccc(F)c2)nc1-c1cccc(Cl)c1 ZINC000408697876 558570592 /nfs/dbraw/zinc/57/05/92/558570592.db2.gz MDWSWMKPBBHLNK-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(F)cc2)c1 ZINC000408697895 558570612 /nfs/dbraw/zinc/57/06/12/558570612.db2.gz MJJPNBLXLQPWRS-UHFFFAOYSA-N 0 0 404.420 5.082 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2cccc(C)c2)cc1 ZINC000408697905 558570567 /nfs/dbraw/zinc/57/05/67/558570567.db2.gz MNCMPTMFZSZUNQ-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2cccc(C)c2)cc1 ZINC000408697914 558570571 /nfs/dbraw/zinc/57/05/71/558570571.db2.gz MRRNKYVWEXMGMF-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccccc2)cc1C ZINC000408697924 558570547 /nfs/dbraw/zinc/57/05/47/558570547.db2.gz MVGFJDGDCZKYNN-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccccc2)cc1C ZINC000408697937 558570540 /nfs/dbraw/zinc/57/05/40/558570540.db2.gz MXUPXJSGVVVQMN-UHFFFAOYSA-N 0 0 418.500 5.957 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccc(F)cc2)cc1 ZINC000408697943 558570577 /nfs/dbraw/zinc/57/05/77/558570577.db2.gz KFFHTLAEYYGDNX-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2cccc(C)c2)c1 ZINC000408697945 558570589 /nfs/dbraw/zinc/57/05/89/558570589.db2.gz KFJWSYAJAIWDQK-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc4ccccc43)nc2-c2ccccc2)cc1C ZINC000408697948 558570598 /nfs/dbraw/zinc/57/05/98/558570598.db2.gz KGTFGOXDUQYXEO-UHFFFAOYSA-N 0 0 418.500 5.957 40 0 HKABRN COc1ccccc1NC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(C)c(C)c2)n1 ZINC000408697951 558570587 /nfs/dbraw/zinc/57/05/87/558570587.db2.gz KHDPIIXAJUFYTE-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc4ccccc43)nn2-c2ccc(F)cc2)c1 ZINC000408697952 558570584 /nfs/dbraw/zinc/57/05/84/558570584.db2.gz KHQPNQWEXWLQGM-UHFFFAOYSA-N 0 0 422.463 5.787 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2ccc(C)cc2C)c1 ZINC000408697953 558570601 /nfs/dbraw/zinc/57/06/01/558570601.db2.gz KHQYYHLXDUSWDD-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(F)cc3)n2)cc1Cl ZINC000408697958 558570605 /nfs/dbraw/zinc/57/06/05/558570605.db2.gz KISGRQUTVVZGIQ-UHFFFAOYSA-N 0 0 424.838 5.427 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cc(C)ccc3C)n2)c1 ZINC000408697959 558570551 /nfs/dbraw/zinc/57/05/51/558570551.db2.gz KIVVYCSCRDJOLT-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(F)cc2)c1C ZINC000408697961 558570747 /nfs/dbraw/zinc/57/07/47/558570747.db2.gz KJBAMKWFHQFHIW-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2cccc(C)c2C)cc1 ZINC000408697963 558570773 /nfs/dbraw/zinc/57/07/73/558570773.db2.gz KJXLTYDHLGAVOQ-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(Cl)cc2)cc1 ZINC000408697968 558570805 /nfs/dbraw/zinc/57/08/05/558570805.db2.gz KMGJWOGNBWQEFA-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2cc(C)ccc2C)cc1 ZINC000408697975 558570782 /nfs/dbraw/zinc/57/07/82/558570782.db2.gz KNVYIQKBIBMLER-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2cccc(C)c2C)c1 ZINC000408697977 558570736 /nfs/dbraw/zinc/57/07/36/558570736.db2.gz KOQBWVSUGCQIMS-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(F)cc3)n2)cc1 ZINC000408697986 558570699 /nfs/dbraw/zinc/57/06/99/558570699.db2.gz KRMOZJCRHNVZIT-UHFFFAOYSA-N 0 0 400.457 5.197 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccc(F)cc2)c1 ZINC000408697987 558570691 /nfs/dbraw/zinc/57/06/91/558570691.db2.gz KSHDFSJWJCMUSB-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2cc(Cl)ccc2C)c1 ZINC000408697988 558570740 /nfs/dbraw/zinc/57/07/40/558570740.db2.gz KSICBOKAJRRSOW-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccccc2)nc1-c1ccc(F)cc1 ZINC000408697989 558570801 /nfs/dbraw/zinc/57/08/01/558570801.db2.gz KSWZXDFHQGCPNO-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(F)cc2)c1 ZINC000408697992 558570722 /nfs/dbraw/zinc/57/07/22/558570722.db2.gz KTTXCYALZOFYNB-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccccc2)c1 ZINC000408697993 558570731 /nfs/dbraw/zinc/57/07/31/558570731.db2.gz KTVMVZMBNIXRER-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccc(F)cc2)c1 ZINC000408697996 558570794 /nfs/dbraw/zinc/57/07/94/558570794.db2.gz KUJCZIZRTKIKRD-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3C)n2)c1 ZINC000408697997 558570757 /nfs/dbraw/zinc/57/07/57/558570757.db2.gz KUQYBNPFQMDCKE-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cc(C)ccc3C)n2)cc1 ZINC000408697998 558570766 /nfs/dbraw/zinc/57/07/66/558570766.db2.gz KVGPQULRVNMJIW-UHFFFAOYSA-N 0 0 410.521 5.674 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccc(F)cc2)cc1 ZINC000408697999 558570727 /nfs/dbraw/zinc/57/07/27/558570727.db2.gz KVLKJSBGHSZENO-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000408698003 558570695 /nfs/dbraw/zinc/57/06/95/558570695.db2.gz KWWPJOTUOMHGBG-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2cccc(Cl)c2C)cc1 ZINC000408698020 558570743 /nfs/dbraw/zinc/57/07/43/558570743.db2.gz LBHWZOXUFCVWEO-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(F)cc2)c1 ZINC000408698024 558570786 /nfs/dbraw/zinc/57/07/86/558570786.db2.gz LDASGEXRIDXCGB-UHFFFAOYSA-N 0 0 414.484 5.559 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2c(C)cccc2Cl)nc1-c1ccc(F)cc1 ZINC000408698054 558570797 /nfs/dbraw/zinc/57/07/97/558570797.db2.gz NDGYGPHURUYHGG-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(Cl)cc2)c1 ZINC000408698076 558570710 /nfs/dbraw/zinc/57/07/10/558570710.db2.gz NIFSOCWCCKZPNM-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2ccccc2)c1 ZINC000408698083 558570762 /nfs/dbraw/zinc/57/07/62/558570762.db2.gz NLWFZHJMONDLBG-UHFFFAOYSA-N 0 0 404.473 5.648 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccccc2)c1 ZINC000408698091 558570770 /nfs/dbraw/zinc/57/07/70/558570770.db2.gz NOAPFFSQGJVOSI-UHFFFAOYSA-N 0 0 418.500 5.957 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(Cl)cc2)cc1 ZINC000408698116 558570703 /nfs/dbraw/zinc/57/07/03/558570703.db2.gz NTEAALFXKNPGOY-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2cccc(Cl)c2C)cc1 ZINC000408698117 558570790 /nfs/dbraw/zinc/57/07/90/558570790.db2.gz NTFOEMYTLHZEFT-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2cccc(Cl)c2)cc1C ZINC000408698131 558570813 /nfs/dbraw/zinc/57/08/13/558570813.db2.gz NZOURBNLKSALCV-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN O=C(Nc1cccc(F)c1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 ZINC000408698137 558570779 /nfs/dbraw/zinc/57/07/79/558570779.db2.gz OAVNCDFVZVZQLP-UHFFFAOYSA-N 0 0 410.811 5.118 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(C)cc2C)cc1 ZINC000408698144 558570700 /nfs/dbraw/zinc/57/07/00/558570700.db2.gz LLTZTJQSOFVVFK-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2cccc(C)c2)cc1 ZINC000408698146 558570969 /nfs/dbraw/zinc/57/09/69/558570969.db2.gz LMFLQEOCTWBFJX-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3C)n2)cc1 ZINC000408698150 558570990 /nfs/dbraw/zinc/57/09/90/558570990.db2.gz LMRWFLZQQWIDGF-UHFFFAOYSA-N 0 0 414.484 5.505 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2cccc(Cl)c2)c1C ZINC000408698152 558570978 /nfs/dbraw/zinc/57/09/78/558570978.db2.gz LNSAQJKDMSSNAF-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(Cl)cc2)c1 ZINC000408698153 558570998 /nfs/dbraw/zinc/57/09/98/558570998.db2.gz LOMVUCHHEHBHKB-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(F)cc3)n2)cc1 ZINC000408698165 558570973 /nfs/dbraw/zinc/57/09/73/558570973.db2.gz LQABRJQRDLJOCY-UHFFFAOYSA-N 0 0 400.457 5.197 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(C)c(Cl)c2)cc1 ZINC000408698169 558571005 /nfs/dbraw/zinc/57/10/05/558571005.db2.gz LQWCIBAGMJKDFP-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2cccc(Cl)c2)c(C)c1 ZINC000408698171 558571011 /nfs/dbraw/zinc/57/10/11/558571011.db2.gz LREQETQVMZHDCQ-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)cc3C)n2)c1 ZINC000408698172 558571000 /nfs/dbraw/zinc/57/10/00/558571000.db2.gz LSHNIIHAPWKSSA-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000408698173 558571017 /nfs/dbraw/zinc/57/10/17/558571017.db2.gz LTBKXACKUXBUCP-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3)n2)cc1 ZINC000408698177 558570963 /nfs/dbraw/zinc/57/09/63/558570963.db2.gz LTJSOVOBWXPGBH-UHFFFAOYSA-N 0 0 400.457 5.197 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2cccc(C)c2C)c1 ZINC000408698178 558570993 /nfs/dbraw/zinc/57/09/93/558570993.db2.gz LTOKWWVVSZTQTM-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(C)c(C)c2)cc1 ZINC000408698180 558570959 /nfs/dbraw/zinc/57/09/59/558570959.db2.gz LUBJNXWMZBDWNV-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(C)ccc3C)n2)c1 ZINC000408698184 558571009 /nfs/dbraw/zinc/57/10/09/558571009.db2.gz LURZEDZQWXHZLC-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(Cl)cc2)c(C)c1 ZINC000408698186 558570966 /nfs/dbraw/zinc/57/09/66/558570966.db2.gz LWKVBRPMLQOXHX-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 ZINC000408698191 558571008 /nfs/dbraw/zinc/57/10/08/558571008.db2.gz LZAFHQKDHGHHJO-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)c1 ZINC000408698196 558571013 /nfs/dbraw/zinc/57/10/13/558571013.db2.gz MBCRRKJUKBMBNA-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2ccc(F)cc2)cc1 ZINC000408698198 558570976 /nfs/dbraw/zinc/57/09/76/558570976.db2.gz MBYZNGHYQPORQO-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccccc2C)cc1 ZINC000408698200 558571015 /nfs/dbraw/zinc/57/10/15/558571015.db2.gz MCJWZNKUUZBNMR-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(F)cc2)c(C)c1 ZINC000408698202 558570995 /nfs/dbraw/zinc/57/09/95/558570995.db2.gz MCYXIAMPUHJENN-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2cccc(Cl)c2)nc1-c1ccc(Cl)cc1 ZINC000408698207 558571004 /nfs/dbraw/zinc/57/10/04/558571004.db2.gz MDWXFVJQNAEWHA-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN O=C(Nc1ccccc1)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000408698215 558570988 /nfs/dbraw/zinc/57/09/88/558570988.db2.gz MGZQWUJZAYZAJC-UHFFFAOYSA-N 0 0 409.276 5.493 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(Cl)cc2)cc1 ZINC000408698216 558570984 /nfs/dbraw/zinc/57/09/84/558570984.db2.gz MHAZSDQCIQFUIE-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2cccc(C)c2)cc1 ZINC000408698217 558570980 /nfs/dbraw/zinc/57/09/80/558570980.db2.gz MHDPVMCUMFOYPU-UHFFFAOYSA-N 0 0 416.456 5.033 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2ccc(F)cc2)cc1 ZINC000408698225 558570986 /nfs/dbraw/zinc/57/09/86/558570986.db2.gz MKONZKOFDWGMEN-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccc(C)cc2)cc1 ZINC000408698226 558570997 /nfs/dbraw/zinc/57/09/97/558570997.db2.gz MKQWCGIOEMLUEF-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cc(C)ccc3C)n2)c1 ZINC000408698233 558570982 /nfs/dbraw/zinc/57/09/82/558570982.db2.gz MNHAXYNIDPFKSS-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccc(Cl)cc2)c1 ZINC000408698235 558571002 /nfs/dbraw/zinc/57/10/02/558571002.db2.gz MNOHXQKJZPRAFK-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2ccc(C)cc2)cc1 ZINC000408698246 558570947 /nfs/dbraw/zinc/57/09/47/558570947.db2.gz OEACZZOTPBNENU-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(C)cc2C)cc1 ZINC000408698249 558571100 /nfs/dbraw/zinc/57/11/00/558571100.db2.gz OFBTULKYZICGNV-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(F)cc2)c(C)c1 ZINC000408698257 558571116 /nfs/dbraw/zinc/57/11/16/558571116.db2.gz OGRKQCPWVFBVCF-UHFFFAOYSA-N 0 0 404.420 5.082 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2cccc(Cl)c2)c1 ZINC000408698269 558571146 /nfs/dbraw/zinc/57/11/46/558571146.db2.gz OMYXYPCWLHTMNQ-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN COc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000408698288 558571155 /nfs/dbraw/zinc/57/11/55/558571155.db2.gz OSTWIGWIMNGBSU-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccc(F)cc2)cc1 ZINC000408698297 558571095 /nfs/dbraw/zinc/57/10/95/558571095.db2.gz OWAWKKBACTWUHE-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccccc2)cc1 ZINC000408698301 558571177 /nfs/dbraw/zinc/57/11/77/558571177.db2.gz OXOYMAPREWCWOR-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(C)cc2)cc1 ZINC000408698329 558571093 /nfs/dbraw/zinc/57/10/93/558571093.db2.gz PFPRZVBHBVTFKM-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN O=C(Nc1cccc(F)c1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000408698336 558571079 /nfs/dbraw/zinc/57/10/79/558571079.db2.gz PHDFJVWAKAKKGI-UHFFFAOYSA-N 0 0 410.811 5.118 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(Cl)c3C)n2)c1 ZINC000408698343 558571085 /nfs/dbraw/zinc/57/10/85/558571085.db2.gz MOVYPGNZPGCWLJ-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccccc2C)c1 ZINC000408698346 558571161 /nfs/dbraw/zinc/57/11/61/558571161.db2.gz MPULRLPZSKHLHC-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(Cl)ccc3C)n2)c1 ZINC000408698348 558571134 /nfs/dbraw/zinc/57/11/34/558571134.db2.gz MRDJMDBJNXYHHI-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3C)n2)c1 ZINC000408698350 558571139 /nfs/dbraw/zinc/57/11/39/558571139.db2.gz MRNNGZQDLCWVHH-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc4ccccc43)nn2-c2ccccc2C)cc1 ZINC000408698353 558571182 /nfs/dbraw/zinc/57/11/82/558571182.db2.gz MSGRYCFUFKHDCZ-UHFFFAOYSA-N 0 0 418.500 5.957 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)cc3)n2)cc1 ZINC000408698362 558571157 /nfs/dbraw/zinc/57/11/57/558571157.db2.gz MXTQOJHDOROJSW-UHFFFAOYSA-N 0 0 416.912 5.711 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccc(F)cc2)cc1 ZINC000408698369 558571075 /nfs/dbraw/zinc/57/10/75/558571075.db2.gz MZEUYEADZFRHPF-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccccc2)c(C)c1 ZINC000408698373 558571122 /nfs/dbraw/zinc/57/11/22/558571122.db2.gz NAAPYRDBNYGXPX-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2cccc(C)c2C)c1 ZINC000408698388 558571113 /nfs/dbraw/zinc/57/11/13/558571113.db2.gz NFKNBSUJUHTPBU-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2cc(Cl)ccc2C)c1 ZINC000408698398 558571089 /nfs/dbraw/zinc/57/10/89/558571089.db2.gz NJHAZOUJDYKZFV-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc4ccccc43)nn2-c2ccccc2)c1 ZINC000408698400 558571108 /nfs/dbraw/zinc/57/11/08/558571108.db2.gz NJWLEYDWEIPAPF-UHFFFAOYSA-N 0 0 404.473 5.648 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3cc(Cl)ccc3C)n2)c1 ZINC000408698404 558571169 /nfs/dbraw/zinc/57/11/69/558571169.db2.gz NKKMVJYILIYKGR-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc4ccccc43)nn2-c2ccccc2C)c1 ZINC000408698406 558571105 /nfs/dbraw/zinc/57/11/05/558571105.db2.gz NLEQFOMXRHJJKF-UHFFFAOYSA-N 0 0 418.500 5.957 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(C)cc2C)cc1 ZINC000408698409 558571119 /nfs/dbraw/zinc/57/11/19/558571119.db2.gz NMWNPJOKRINNNY-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccccc2)c1 ZINC000408698413 558571166 /nfs/dbraw/zinc/57/11/66/558571166.db2.gz NOMNQRHPPJVUKE-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000408698418 558571151 /nfs/dbraw/zinc/57/11/51/558571151.db2.gz NPYZTYMWQRKZFJ-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccccc2)cc1Cl ZINC000408698425 558571069 /nfs/dbraw/zinc/57/10/69/558571069.db2.gz NSJWDMXEJSDZGX-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc4ccccc43)nn2-c2ccc(F)cc2)cc1 ZINC000408698432 558571126 /nfs/dbraw/zinc/57/11/26/558571126.db2.gz NUQMWAJNYGMJHT-UHFFFAOYSA-N 0 0 422.463 5.787 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(C)cc2C)c1 ZINC000408698434 558571130 /nfs/dbraw/zinc/57/11/30/558571130.db2.gz NVLFVIXYAVIECW-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN O=C(Nc1ccccc1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 ZINC000408698435 558571142 /nfs/dbraw/zinc/57/11/42/558571142.db2.gz NVLTUBSYWXLHMB-UHFFFAOYSA-N 0 0 409.276 5.493 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3C)n2)c1 ZINC000408698439 558571173 /nfs/dbraw/zinc/57/11/73/558571173.db2.gz NXBPDOUYGDLHNJ-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2ccc(F)cc2)c1 ZINC000408698442 558571450 /nfs/dbraw/zinc/57/14/50/558571450.db2.gz PIHPVKBOMLJCRT-UHFFFAOYSA-N 0 0 422.463 5.787 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccccc2)c1 ZINC000408698457 558571440 /nfs/dbraw/zinc/57/14/40/558571440.db2.gz PRHHSZUIZNZOFB-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2cccc(C)c2)c1 ZINC000408698467 558571402 /nfs/dbraw/zinc/57/14/02/558571402.db2.gz PWUGUVOZIOUISC-UHFFFAOYSA-N 0 0 418.500 5.957 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(F)cc2)c1 ZINC000408698474 558571459 /nfs/dbraw/zinc/57/14/59/558571459.db2.gz PZCHMEIMXXOMGC-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(F)cc2)cc1 ZINC000408698478 558571446 /nfs/dbraw/zinc/57/14/46/558571446.db2.gz QAGPAFYKQZEFQG-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(F)cc2)cc1C ZINC000408698525 558571393 /nfs/dbraw/zinc/57/13/93/558571393.db2.gz QOZRYGLSODLCHD-UHFFFAOYSA-N 0 0 414.484 5.559 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(F)cc3)n2)cc1 ZINC000408698543 558571457 /nfs/dbraw/zinc/57/14/57/558571457.db2.gz NXZYJWNQMZPCBK-UHFFFAOYSA-N 0 0 420.875 5.542 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2ccc(C)c(C)c2)c1 ZINC000408698558 558571447 /nfs/dbraw/zinc/57/14/47/558571447.db2.gz OBFIPAWTFPDFQI-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccccc2C)c1 ZINC000408698570 558571442 /nfs/dbraw/zinc/57/14/42/558571442.db2.gz ODQJNXSMOBKUGK-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(C)cc2)cc1 ZINC000408698579 558571431 /nfs/dbraw/zinc/57/14/31/558571431.db2.gz OFCCPXFIMKZUSJ-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)c1 ZINC000408698592 558571454 /nfs/dbraw/zinc/57/14/54/558571454.db2.gz OIBGTMVTCYFVSH-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(Cl)ccc3C)n2)c1C ZINC000408698595 558571522 /nfs/dbraw/zinc/57/15/22/558571522.db2.gz OJBVCOIMCFAUQM-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2cc(C)ccc2C)c1 ZINC000408698596 558571607 /nfs/dbraw/zinc/57/16/07/558571607.db2.gz OJLMRFDOAYCRLD-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(C)cc2C)cc1 ZINC000408698601 558571587 /nfs/dbraw/zinc/57/15/87/558571587.db2.gz OLDRWWPTSQASFZ-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2cccc(C)c2)cc1 ZINC000408698602 558571870 /nfs/dbraw/zinc/57/18/70/558571870.db2.gz OLQMBQCSDBSUTQ-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccccc2F)nc1-c1ccc(Cl)cc1 ZINC000408698604 558571883 /nfs/dbraw/zinc/57/18/83/558571883.db2.gz OMEDBHGYLHZWLV-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2cccc(Cl)c2C)c1 ZINC000408698608 558571902 /nfs/dbraw/zinc/57/19/02/558571902.db2.gz OOFRTZJXOVFICS-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2cccc(Cl)c2)c1 ZINC000408698609 558571827 /nfs/dbraw/zinc/57/18/27/558571827.db2.gz OOHVBQUNYPYHSY-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000408698613 558571832 /nfs/dbraw/zinc/57/18/32/558571832.db2.gz OPNZUCKJCKHZHR-UHFFFAOYSA-N 0 0 416.912 5.711 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2ccc(Cl)cc2)c1 ZINC000408698616 558571921 /nfs/dbraw/zinc/57/19/21/558571921.db2.gz ORCNCIZYYLQNAA-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(Cl)cc2)c1 ZINC000408698617 558571829 /nfs/dbraw/zinc/57/18/29/558571829.db2.gz OREFWZKJLVWFQU-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc4ccccc43)nc2-c2cccc(C)c2)cc1 ZINC000408698619 558571892 /nfs/dbraw/zinc/57/18/92/558571892.db2.gz ORXJTQZNGYJJQN-UHFFFAOYSA-N 0 0 418.500 5.957 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2cccc(Cl)c2)cc1 ZINC000408698623 558572207 /nfs/dbraw/zinc/57/22/07/558572207.db2.gz OSOVUATZVDNBPL-UHFFFAOYSA-N 0 0 418.884 5.239 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(C)c(C)c2)cc1 ZINC000408698628 558572157 /nfs/dbraw/zinc/57/21/57/558572157.db2.gz OWAWEKIOOWMPSD-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccccc2F)nc1-c1ccc(F)cc1 ZINC000408698629 558572144 /nfs/dbraw/zinc/57/21/44/558572144.db2.gz OWELUIFMORKJPN-UHFFFAOYSA-N 0 0 424.838 5.427 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccccc2C)cc1 ZINC000408698632 558572253 /nfs/dbraw/zinc/57/22/53/558572253.db2.gz OXJRPULOGLKAAZ-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2cccc(C)c2)cc1 ZINC000408698635 558572182 /nfs/dbraw/zinc/57/21/82/558572182.db2.gz OYAIFJLHQRDLMA-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000408698637 558572211 /nfs/dbraw/zinc/57/22/11/558572211.db2.gz PAATYOBXPIJDFH-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2ccccc2)c1 ZINC000408698643 558572220 /nfs/dbraw/zinc/57/22/20/558572220.db2.gz QUAFMSZITWFTPN-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2ccc(F)cc2)cc1 ZINC000408698649 558572323 /nfs/dbraw/zinc/57/23/23/558572323.db2.gz QWPVDCKKHQXUHF-UHFFFAOYSA-N 0 0 422.463 5.787 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(C)cc2C)c1 ZINC000408698660 558572350 /nfs/dbraw/zinc/57/23/50/558572350.db2.gz QZSMEASUVOXDEG-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2cccc(Cl)c2C)c1 ZINC000408698668 558572313 /nfs/dbraw/zinc/57/23/13/558572313.db2.gz RCWJXHAPLZOKDV-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2ccc(F)cc2)cc1 ZINC000408698704 558572383 /nfs/dbraw/zinc/57/23/83/558572383.db2.gz ROXMTTVNSKHKSV-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2cccc(Cl)c2C)c1 ZINC000408698750 558572290 /nfs/dbraw/zinc/57/22/90/558572290.db2.gz PCVFQMVQECWJQP-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000408698752 558572372 /nfs/dbraw/zinc/57/23/72/558572372.db2.gz PCZAOFZMQMZSFP-UHFFFAOYSA-N 0 0 418.884 5.239 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2cccc(Cl)c2)c1 ZINC000408698760 558572386 /nfs/dbraw/zinc/57/23/86/558572386.db2.gz PENIXNBHEHAAGR-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(Cl)cc2)cc1 ZINC000408698761 557715510 /nfs/dbraw/zinc/71/55/10/557715510.db2.gz PEXYFWLWUBUEBC-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2cccc(Cl)c2)cc1 ZINC000408698763 557715561 /nfs/dbraw/zinc/71/55/61/557715561.db2.gz PGRUYLNHQMEYEV-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000408698764 557715517 /nfs/dbraw/zinc/71/55/17/557715517.db2.gz PHDSMFUPSNNOIG-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN O=C(Nc1ccccc1F)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000408698766 558572335 /nfs/dbraw/zinc/57/23/35/558572335.db2.gz PHNYPFYSQQEQKM-UHFFFAOYSA-N 0 0 410.811 5.118 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2cccc(C)c2C)cc1 ZINC000408698769 558572382 /nfs/dbraw/zinc/57/23/82/558572382.db2.gz PJHVODZZQZEJID-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccccc2)c1C ZINC000408698774 558572361 /nfs/dbraw/zinc/57/23/61/558572361.db2.gz PLHGXZKEXUATAQ-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2cccc(C)c2)n1 ZINC000408698776 558572327 /nfs/dbraw/zinc/57/23/27/558572327.db2.gz PLMRBAWLQBPGJP-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN COc1ccccc1NC(=O)c1nc(-c2cccc(C)c2)n(-c2cccc(C)c2C)n1 ZINC000408698781 558572592 /nfs/dbraw/zinc/57/25/92/558572592.db2.gz PNGVYKDAZYPXBJ-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nc2-c2ccccc2)c1 ZINC000408698782 558572679 /nfs/dbraw/zinc/57/26/79/558572679.db2.gz PNGYLCLPWKWOOC-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(F)cc2)c1 ZINC000408698785 558572587 /nfs/dbraw/zinc/57/25/87/558572587.db2.gz PNMDUBSQPUKIEQ-UHFFFAOYSA-N 0 0 404.420 5.082 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(Cl)cc2)cc1Cl ZINC000408698789 558572647 /nfs/dbraw/zinc/57/26/47/558572647.db2.gz PNUJUWOBAMTPRY-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc4ccccc43)nn2-c2cccc(C)c2)c1 ZINC000408698800 558572606 /nfs/dbraw/zinc/57/26/06/558572606.db2.gz PPRGBELFUFYLTI-UHFFFAOYSA-N 0 0 418.500 5.957 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)c1 ZINC000408698808 558572621 /nfs/dbraw/zinc/57/26/21/558572621.db2.gz PSAHCXZMHXATFS-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN COc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(C)cc2)n1 ZINC000408698814 558572578 /nfs/dbraw/zinc/57/25/78/558572578.db2.gz PUIDQEQNBQTTKO-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2cccc3ccccc32)nc1-c1ccccc1 ZINC000408698824 558572683 /nfs/dbraw/zinc/57/26/83/558572683.db2.gz PWFRAKPRQOJSJV-UHFFFAOYSA-N 0 0 404.473 5.648 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2cc(C)ccc2C)c1 ZINC000408698828 558572625 /nfs/dbraw/zinc/57/26/25/558572625.db2.gz PWLPYIZDMYKLGT-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN COc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(C)cc2)n1 ZINC000408698832 557715702 /nfs/dbraw/zinc/71/57/02/557715702.db2.gz PWQNLVIBVFSHFN-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)cc3C)n2)c1 ZINC000408698841 558572537 /nfs/dbraw/zinc/57/25/37/558572537.db2.gz PYZKYFLFOXXEBK-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(Cl)cc2)c1 ZINC000408698844 558572551 /nfs/dbraw/zinc/57/25/51/558572551.db2.gz SEMOCCWUYAWTBF-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2cc(Cl)ccc2C)c1 ZINC000408698846 558572681 /nfs/dbraw/zinc/57/26/81/558572681.db2.gz SFFDITSKMUQWRC-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN COc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2C)n1 ZINC000408698854 558572643 /nfs/dbraw/zinc/57/26/43/558572643.db2.gz QBPNJLQBZDHSGD-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN O=C(Nc1cccc(F)c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 ZINC000408698865 557715713 /nfs/dbraw/zinc/71/57/13/557715713.db2.gz SITACHTUKVFYBY-UHFFFAOYSA-N 0 0 410.811 5.118 40 0 HKABRN O=C(Nc1ccc2ccccc2c1)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000408698868 558572584 /nfs/dbraw/zinc/57/25/84/558572584.db2.gz SKHLTMYNPRISMY-UHFFFAOYSA-N 0 0 408.436 5.479 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccc(C)cc2C)c1 ZINC000408698872 558572545 /nfs/dbraw/zinc/57/25/45/558572545.db2.gz SKZWPUMVDPGREJ-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2c(C)cccc2C)nc1-c1ccccc1 ZINC000408698876 558572676 /nfs/dbraw/zinc/57/26/76/558572676.db2.gz SMQKVOZDWBMCKJ-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccc(C)cc2C)cc1 ZINC000408698895 558572664 /nfs/dbraw/zinc/57/26/64/558572664.db2.gz SRUBIPNWIYABRI-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc(F)c2)nc1-c1ccccc1 ZINC000408698900 557715720 /nfs/dbraw/zinc/71/57/20/557715720.db2.gz SSSKAGUCNPLWTP-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2c(C)cccc2C)nc1-c1cccc(Cl)c1 ZINC000408698916 558572557 /nfs/dbraw/zinc/57/25/57/558572557.db2.gz SVGFGGYUMUVKJS-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000408698931 557715746 /nfs/dbraw/zinc/71/57/46/557715746.db2.gz TXLGHTVURZHQLB-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(Cl)cc2)cc1C ZINC000408698939 558572662 /nfs/dbraw/zinc/57/26/62/558572662.db2.gz TZOIAODENJPJFR-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2cccc(Cl)c2)c1 ZINC000408698946 558572658 /nfs/dbraw/zinc/57/26/58/558572658.db2.gz QEXXBWKEVIKFMZ-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN O=C(Nc1cccc2ccccc21)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000408698950 558572660 /nfs/dbraw/zinc/57/26/60/558572660.db2.gz QGAXSAZZGOIMMP-UHFFFAOYSA-N 0 0 408.436 5.479 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccccc2)cc1Cl ZINC000408698952 558572667 /nfs/dbraw/zinc/57/26/67/558572667.db2.gz QGXADBISLYWCRU-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc4ccccc43)nc2-c2ccccc2)c(C)c1 ZINC000408698954 557715923 /nfs/dbraw/zinc/71/59/23/557715923.db2.gz QHEMNZMTIFRXTE-UHFFFAOYSA-N 0 0 418.500 5.957 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3ccc(CC)cc3)nc2-c2ccccc2)cc1 ZINC000408698955 558572819 /nfs/dbraw/zinc/57/28/19/558572819.db2.gz QHGHPAISXVNRGW-UHFFFAOYSA-N 0 0 412.493 5.148 40 0 HKABRN Cc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000408698958 557715908 /nfs/dbraw/zinc/71/59/08/557715908.db2.gz QJCBALKSOOZYFQ-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000408698962 557715960 /nfs/dbraw/zinc/71/59/60/557715960.db2.gz QJRZLUXQEHKQPT-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000408698977 558572768 /nfs/dbraw/zinc/57/27/68/558572768.db2.gz QOLJECHBODDLTL-UHFFFAOYSA-N 0 0 420.875 5.542 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(F)cc2)cc1 ZINC000408698979 558572755 /nfs/dbraw/zinc/57/27/55/558572755.db2.gz QOQGHNDGIQTGBR-UHFFFAOYSA-N 0 0 416.456 5.033 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2cccc(C)c2C)cc1 ZINC000408698998 558572805 /nfs/dbraw/zinc/57/28/05/558572805.db2.gz QTBPKTLRXATNCS-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(Cl)cc2)c(C)c1 ZINC000408699009 558572759 /nfs/dbraw/zinc/57/27/59/558572759.db2.gz QVAYIHMXGHGVDE-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2cc(Cl)ccc2C)cc1 ZINC000408699012 558572792 /nfs/dbraw/zinc/57/27/92/558572792.db2.gz QVNKXYJROLAHNR-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(C)cc2)cc1 ZINC000408699020 558572739 /nfs/dbraw/zinc/57/27/39/558572739.db2.gz QXQHUPXFCAILGY-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2ccc(Cl)cc2)cc1 ZINC000408699035 558572799 /nfs/dbraw/zinc/57/27/99/558572799.db2.gz QZTSXHYQELILCW-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccc(F)cc2)cc1 ZINC000408699037 558572730 /nfs/dbraw/zinc/57/27/30/558572730.db2.gz QZZUDLGAMCMZQP-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3)n2)c1 ZINC000408699041 558572828 /nfs/dbraw/zinc/57/28/28/558572828.db2.gz RAVGIGCRKMCTAZ-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2c(C)cccc2C)nc1-c1ccc(F)cc1 ZINC000408699042 558572782 /nfs/dbraw/zinc/57/27/82/558572782.db2.gz UHLSEZFUTPXFTM-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(C)cc2)cc1 ZINC000408699043 558572757 /nfs/dbraw/zinc/57/27/57/558572757.db2.gz RBJNGGZRZIVMGK-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2cccc(C)c2)cc1 ZINC000408699047 558572741 /nfs/dbraw/zinc/57/27/41/558572741.db2.gz RCWIDRBSNSWRNU-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3)n2)cc1Cl ZINC000408699060 558572772 /nfs/dbraw/zinc/57/27/72/558572772.db2.gz RGCCKIIOSJGFKC-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(C)cc2)cc1 ZINC000408699067 558572728 /nfs/dbraw/zinc/57/27/28/558572728.db2.gz UKDZHVFGJMNMJP-UHFFFAOYSA-N 0 0 416.456 5.033 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(F)cc3)n2)cc1 ZINC000408699072 558572807 /nfs/dbraw/zinc/57/28/07/558572807.db2.gz RIAMLQPYOIWWKL-UHFFFAOYSA-N 0 0 404.420 5.027 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000408699075 558572726 /nfs/dbraw/zinc/57/27/26/558572726.db2.gz RIFSJUGUVDCHAY-UHFFFAOYSA-N 0 0 416.912 5.711 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(F)cc3)n2)c1 ZINC000408699083 558573051 /nfs/dbraw/zinc/57/30/51/558573051.db2.gz RJBVJYDODJVGFW-UHFFFAOYSA-N 0 0 404.420 5.082 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2cccc(Cl)c2)cc1C ZINC000408699084 558572979 /nfs/dbraw/zinc/57/29/79/558572979.db2.gz RJMYTDQISJVZFF-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccc(Cl)cc2)cc1 ZINC000408699087 558573071 /nfs/dbraw/zinc/57/30/71/558573071.db2.gz UMUJGTWLLBYMRC-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccc(F)cc2)c1 ZINC000408699094 558573004 /nfs/dbraw/zinc/57/30/04/558573004.db2.gz RKWWQSSQFBNYGR-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)cc3C)n2)cc1 ZINC000408699096 558573030 /nfs/dbraw/zinc/57/30/30/558573030.db2.gz RLDNVBSZTMPSEL-UHFFFAOYSA-N 0 0 414.484 5.505 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccccc2)c1 ZINC000408699099 558573022 /nfs/dbraw/zinc/57/30/22/558573022.db2.gz UQGTYDDWJYRSHR-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(F)cc2)cc1Cl ZINC000408699105 558572983 /nfs/dbraw/zinc/57/29/83/558572983.db2.gz USOINMBIOVHRSU-UHFFFAOYSA-N 0 0 424.838 5.427 40 0 HKABRN Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc(F)c2)nc1-c1ccccc1 ZINC000408699129 558573082 /nfs/dbraw/zinc/57/30/82/558573082.db2.gz VBICTNQVNCRMGM-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccc(Cl)cc2)c1 ZINC000408699132 558572996 /nfs/dbraw/zinc/57/29/96/558572996.db2.gz VCEKJLGZMTZLEU-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)c1 ZINC000408699142 558573067 /nfs/dbraw/zinc/57/30/67/558573067.db2.gz RLLWXZKAQJTKFI-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2cccc(Cl)c2)c1 ZINC000408699143 558573064 /nfs/dbraw/zinc/57/30/64/558573064.db2.gz RLVFSGDZRVAFOG-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2cccc(C)c2)cc1 ZINC000408699149 558572965 /nfs/dbraw/zinc/57/29/65/558572965.db2.gz RNUXSFZRLHSVDF-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(C)cc2C)c1 ZINC000408699151 558573036 /nfs/dbraw/zinc/57/30/36/558573036.db2.gz ROCVCMBRBJPLCN-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2cc(C)ccc2C)cc1 ZINC000408699154 558573007 /nfs/dbraw/zinc/57/30/07/558573007.db2.gz RPRVAYRFEUMBGO-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2C)n1 ZINC000408699155 558573001 /nfs/dbraw/zinc/57/30/01/558573001.db2.gz RQBHPIBQXPEUGT-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)c(Cl)c3)n2)c1 ZINC000408699158 558573077 /nfs/dbraw/zinc/57/30/77/558573077.db2.gz RRCUKZMFHBJWNQ-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2cccc(C)c2C)c1 ZINC000408699162 558573074 /nfs/dbraw/zinc/57/30/74/558573074.db2.gz RRSQGXZYOQDBJN-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3)n2)cc1Cl ZINC000408699164 558573061 /nfs/dbraw/zinc/57/30/61/558573061.db2.gz RRWKWNHEFUAWCR-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccccc2)c1C ZINC000408699168 558573025 /nfs/dbraw/zinc/57/30/25/558573025.db2.gz RRZQBTDMSCVWRL-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2ccc(F)cc2)cc1 ZINC000408699174 558572949 /nfs/dbraw/zinc/57/29/49/558572949.db2.gz RTJODNHAZFCEIR-UHFFFAOYSA-N 0 0 416.456 5.033 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2cc(Cl)ccc2C)cc1 ZINC000408699176 558572941 /nfs/dbraw/zinc/57/29/41/558572941.db2.gz VGEZFBMYMQOGSL-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)c(C)c3)n2)cc1 ZINC000408699177 558573056 /nfs/dbraw/zinc/57/30/56/558573056.db2.gz RVJUCVXXQVVCQN-UHFFFAOYSA-N 0 0 410.521 5.674 40 0 HKABRN Cc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2cc(Cl)ccc2C)n1 ZINC000408699195 558573032 /nfs/dbraw/zinc/57/30/32/558573032.db2.gz SDBFGKFITHLIIZ-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN O=C(Nc1ccc2ccccc2c1)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 ZINC000408699213 558573161 /nfs/dbraw/zinc/57/31/61/558573161.db2.gz VMZHPKIUNCPVRK-UHFFFAOYSA-N 0 0 424.891 5.993 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2ccc(Cl)cc2)cc1 ZINC000408699216 558573176 /nfs/dbraw/zinc/57/31/76/558573176.db2.gz SGERZWZBEZOJRV-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2cc(C)ccc2C)c1 ZINC000408699218 557716290 /nfs/dbraw/zinc/71/62/90/557716290.db2.gz SGRGFBHJFBCROS-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2cccc(Cl)c2C)cc1 ZINC000408699220 558573199 /nfs/dbraw/zinc/57/31/99/558573199.db2.gz SGVSIEPJAYTZBK-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2C)n1 ZINC000408699229 557716321 /nfs/dbraw/zinc/71/63/21/557716321.db2.gz SIBOMAIFQUOPQM-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN COc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)c1 ZINC000408699235 558573227 /nfs/dbraw/zinc/57/32/27/558573227.db2.gz SIIUWCFVQYMPPK-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2cccc(C)c2)cc1 ZINC000408699239 558573248 /nfs/dbraw/zinc/57/32/48/558573248.db2.gz SIVOGBWFKXTKNV-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(C)c1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000408699244 558573231 /nfs/dbraw/zinc/57/32/31/558573231.db2.gz VSIXHDNGUNGFJJ-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccccc2)nc1-c1cccc(Cl)c1 ZINC000408699245 558573184 /nfs/dbraw/zinc/57/31/84/558573184.db2.gz SKEUVGGLWNXTSF-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)cc3C)n2)cc1 ZINC000408699247 558573239 /nfs/dbraw/zinc/57/32/39/558573239.db2.gz SKHPPCFMYKRTDC-UHFFFAOYSA-N 0 0 410.521 5.674 40 0 HKABRN Cc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 ZINC000408699251 558573180 /nfs/dbraw/zinc/57/31/80/558573180.db2.gz SKYLYPVDDLKZDN-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nn2-c2ccccc2)c1 ZINC000408699257 558573246 /nfs/dbraw/zinc/57/32/46/558573246.db2.gz SMBRSBWWJILTDQ-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccccc2)cc1 ZINC000408699261 558573243 /nfs/dbraw/zinc/57/32/43/558573243.db2.gz SMFRSZDIAVYNJR-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN Cc1cccc(Cl)c1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000408699263 558573241 /nfs/dbraw/zinc/57/32/41/558573241.db2.gz VVVQMDOSTVXTNO-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(C)c1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 ZINC000408699265 558573236 /nfs/dbraw/zinc/57/32/36/558573236.db2.gz VWDSEXSZALXBGT-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2c(C)cccc2C)nc1-c1ccc(Cl)cc1 ZINC000408699269 557716567 /nfs/dbraw/zinc/71/65/67/557716567.db2.gz VWJOCZMQXBBHLJ-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(Cl)cc2)cc1 ZINC000408699272 558573225 /nfs/dbraw/zinc/57/32/25/558573225.db2.gz SNSBTEKWCCBZLF-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000408699274 558573229 /nfs/dbraw/zinc/57/32/29/558573229.db2.gz SOHSQDIKBFOIDZ-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(C)c(Cl)c2)n1 ZINC000408699289 558573190 /nfs/dbraw/zinc/57/31/90/558573190.db2.gz SRSTYAPUKOGCFZ-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)nn2-c2ccc(C)c(Cl)c2)cc1 ZINC000408699293 558573156 /nfs/dbraw/zinc/57/31/56/558573156.db2.gz SRYSEQXLYQBBFN-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccccc2)c1C ZINC000408699294 558573194 /nfs/dbraw/zinc/57/31/94/558573194.db2.gz WABMVDBTTXMIKQ-UHFFFAOYSA-N 0 0 418.500 5.957 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2cccc(Cl)c2)cc1 ZINC000408699295 558573245 /nfs/dbraw/zinc/57/32/45/558573245.db2.gz SSAXNHUNLBPZFW-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(F)cc2)c(C)c1 ZINC000408699301 558573249 /nfs/dbraw/zinc/57/32/49/558573249.db2.gz SSPCMAQKIUNEFW-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccccc2F)nc1-c1ccccc1 ZINC000408699309 558573171 /nfs/dbraw/zinc/57/31/71/558573171.db2.gz STRRWJXEYDQBLB-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccc(C)c(Cl)c2)cc1 ZINC000408699315 558573223 /nfs/dbraw/zinc/57/32/23/558573223.db2.gz SULWJFCPUBENNP-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(Cl)cc2)cc1C ZINC000408699317 557716532 /nfs/dbraw/zinc/71/65/32/557716532.db2.gz SUTWAZPFZJJDBQ-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2ccccc2)cc1 ZINC000408699324 558573166 /nfs/dbraw/zinc/57/31/66/558573166.db2.gz WGNJDCCTLXMVCN-UHFFFAOYSA-N 0 0 404.473 5.648 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2cccc(Cl)c2)c1 ZINC000408699330 558573139 /nfs/dbraw/zinc/57/31/39/558573139.db2.gz WJDRRAUJTRQQOK-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc4ccccc43)nn2-c2cccc(C)c2)cc1 ZINC000408699345 558573204 /nfs/dbraw/zinc/57/32/04/558573204.db2.gz SWKOWTVLEVCHKI-UHFFFAOYSA-N 0 0 418.500 5.957 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 ZINC000408699346 558573217 /nfs/dbraw/zinc/57/32/17/558573217.db2.gz SWMKGEPFSKUKCJ-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2cccc(C)c2)cc1 ZINC000408699358 558573410 /nfs/dbraw/zinc/57/34/10/558573410.db2.gz SZEOALLVFBRGFI-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3)n2)cc1 ZINC000408699360 558573357 /nfs/dbraw/zinc/57/33/57/558573357.db2.gz TUBXLKDLWXCMSG-UHFFFAOYSA-N 0 0 416.912 5.711 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(Cl)cc2)c1 ZINC000408699365 558573413 /nfs/dbraw/zinc/57/34/13/558573413.db2.gz TVDJXMFPNAIHIS-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccccc2F)nc1-c1ccccc1 ZINC000408699366 558573348 /nfs/dbraw/zinc/57/33/48/558573348.db2.gz TVLUPGSGPXGVOG-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2cccc(Cl)c2)c1C ZINC000408699371 558573449 /nfs/dbraw/zinc/57/34/49/558573449.db2.gz TWXUCVRMHUARNN-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccccc2)nc1-c1cccc(Cl)c1 ZINC000408699381 558573447 /nfs/dbraw/zinc/57/34/47/558573447.db2.gz TYECDAZYLGIECD-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(Cl)cc2)c1C ZINC000408699382 558573426 /nfs/dbraw/zinc/57/34/26/558573426.db2.gz WOAAEKVIYSTFQH-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2cccc(Cl)c2C)c1 ZINC000408699391 558573405 /nfs/dbraw/zinc/57/34/05/558573405.db2.gz TZXWLQIEYMVJEW-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2cc(C)ccc2C)cc1 ZINC000408699392 558573367 /nfs/dbraw/zinc/57/33/67/558573367.db2.gz WPWLCXPZGKKUPO-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN O=C(Nc1cccc2ccccc21)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 ZINC000408699398 557716746 /nfs/dbraw/zinc/71/67/46/557716746.db2.gz UBHZOTGRWHVIIY-UHFFFAOYSA-N 0 0 424.891 5.993 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2cccc(Cl)c2C)nc1-c1ccc(F)cc1 ZINC000408699400 558573460 /nfs/dbraw/zinc/57/34/60/558573460.db2.gz UBJMEYVUTMHGNL-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN O=C(Nc1ccccc1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000408699408 558573332 /nfs/dbraw/zinc/57/33/32/558573332.db2.gz UCHYTZDZHPIWOD-UHFFFAOYSA-N 0 0 409.276 5.493 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(Cl)cc2)c1 ZINC000408699410 558573345 /nfs/dbraw/zinc/57/33/45/558573345.db2.gz UCJARFXCVVPZIE-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccc(C)c(Cl)c2)c1 ZINC000408699419 558573376 /nfs/dbraw/zinc/57/33/76/558573376.db2.gz UDJLVDLCSITNCT-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1cccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(C)c3C)n2)c1 ZINC000408699427 558573442 /nfs/dbraw/zinc/57/34/42/558573442.db2.gz UESCDMAUZZVWOR-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(Cl)cc2)c1 ZINC000408699442 558573341 /nfs/dbraw/zinc/57/33/41/558573341.db2.gz UGSSIFAOXKRSHN-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000408699447 558573454 /nfs/dbraw/zinc/57/34/54/558573454.db2.gz UHFGDCCPBQYSGJ-UHFFFAOYSA-N 0 0 414.484 5.559 40 0 HKABRN Cc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2cc(Cl)ccc2C)n1 ZINC000408699448 558573416 /nfs/dbraw/zinc/57/34/16/558573416.db2.gz UHMCJMKLGVVBNV-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(Cl)cc2)c1C ZINC000408699451 558573444 /nfs/dbraw/zinc/57/34/44/558573444.db2.gz UHWOBODHAFCCIU-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(Cl)cc2)c(C)c1 ZINC000408699472 558573389 /nfs/dbraw/zinc/57/33/89/558573389.db2.gz XBQKLAHQWPHWQU-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(F)cc2)cc1 ZINC000408699475 558573421 /nfs/dbraw/zinc/57/34/21/558573421.db2.gz UKNUZYSUXYMIFT-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1cccc(Cl)c1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 ZINC000408699479 558573432 /nfs/dbraw/zinc/57/34/32/558573432.db2.gz XCXYZQPQFGANBA-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2cc(C)ccc2C)c1 ZINC000408699484 558573363 /nfs/dbraw/zinc/57/33/63/558573363.db2.gz ULLIIWBKVCEXOP-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccc(C)cc2)cc1 ZINC000408699486 558573380 /nfs/dbraw/zinc/57/33/80/558573380.db2.gz ULOVZWPMSHZEKF-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccc(C)cc2)cc1 ZINC000408699488 558573354 /nfs/dbraw/zinc/57/33/54/558573354.db2.gz ULWCRZMMGLKKJG-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(C)c3C)n2)cc1 ZINC000408699490 558573384 /nfs/dbraw/zinc/57/33/84/558573384.db2.gz UMFKTKTYKBDRKL-UHFFFAOYSA-N 0 0 410.521 5.674 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(Cl)cc2)c(C)c1 ZINC000408699504 558573650 /nfs/dbraw/zinc/57/36/50/558573650.db2.gz UODDVBKKRIQKAC-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(F)cc2)c1C ZINC000408699544 558573581 /nfs/dbraw/zinc/57/35/81/558573581.db2.gz UPHUMECILKNUBA-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccccc2)cc1 ZINC000408699546 558573546 /nfs/dbraw/zinc/57/35/46/558573546.db2.gz XTEJVQQDJWCWBJ-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(Cl)cc2)cc1 ZINC000408699549 558573600 /nfs/dbraw/zinc/57/36/00/558573600.db2.gz UTPNUDBRZDDRKH-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(Cl)cc3)n2)c1 ZINC000408699553 558573659 /nfs/dbraw/zinc/57/36/59/558573659.db2.gz UTUDGHZAIMHWQW-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccccc2)cc1C ZINC000408699570 558573611 /nfs/dbraw/zinc/57/36/11/558573611.db2.gz UVYDIQIRYCGVMR-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 ZINC000408699575 558573541 /nfs/dbraw/zinc/57/35/41/558573541.db2.gz UWODFXIVALVCIU-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(F)cc2)cc1C ZINC000408699616 558573803 /nfs/dbraw/zinc/57/38/03/558573803.db2.gz VFWUZHJJDWEAOG-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccccc2)cc1C ZINC000408699632 558573814 /nfs/dbraw/zinc/57/38/14/558573814.db2.gz VIIAGYAKMHKXOL-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(Cl)c1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000408699635 558573773 /nfs/dbraw/zinc/57/37/73/558573773.db2.gz YHROJIAUJALQJE-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3C)n2)c1C ZINC000408699636 558573750 /nfs/dbraw/zinc/57/37/50/558573750.db2.gz VIZBLRHQIWXTMO-UHFFFAOYSA-N 0 0 414.484 5.559 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2cccc(Cl)c2)cc1C ZINC000408699640 558573789 /nfs/dbraw/zinc/57/37/89/558573789.db2.gz VJCPTIQZVJHGSV-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(F)cc2)cc1 ZINC000408699648 558573807 /nfs/dbraw/zinc/57/38/07/558573807.db2.gz VKWBMPUTDDMOIQ-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3C)nc2-c2cccc(Cl)c2)c1 ZINC000408699655 558573827 /nfs/dbraw/zinc/57/38/27/558573827.db2.gz VMMNHGASELCLGT-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)c1 ZINC000408699660 558573784 /nfs/dbraw/zinc/57/37/84/558573784.db2.gz VMRGYDDUQCIPRU-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccccc2Cl)nc1-c1ccc(Cl)cc1 ZINC000408699661 558573844 /nfs/dbraw/zinc/57/38/44/558573844.db2.gz VMRQHEWXSAZXCQ-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2cccc(C)c2)cc1 ZINC000408699666 558573770 /nfs/dbraw/zinc/57/37/70/558573770.db2.gz YLKNNFBZQNKABU-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2cc(C)ccc2C)c1 ZINC000408699669 558573763 /nfs/dbraw/zinc/57/37/63/558573763.db2.gz YLTGQQDMGYBWGG-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccccc2)cc1 ZINC000408699680 558573824 /nfs/dbraw/zinc/57/38/24/558573824.db2.gz YNABZHSXTPXRST-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cc(C)ccc3C)n2)cc1 ZINC000408699681 558573846 /nfs/dbraw/zinc/57/38/46/558573846.db2.gz VPRALGTZPRLSBC-UHFFFAOYSA-N 0 0 410.521 5.674 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3)n2)cc1 ZINC000408699689 557712729 /nfs/dbraw/zinc/71/27/29/557712729.db2.gz VQWVYKYSQPVZMK-UHFFFAOYSA-N 0 0 402.885 5.402 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3C)n2)c1 ZINC000408699693 558574079 /nfs/dbraw/zinc/57/40/79/558574079.db2.gz VRESSMDUOXPWKB-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccccc2)cc1 ZINC000408699698 558574046 /nfs/dbraw/zinc/57/40/46/558574046.db2.gz YPNXXWSNTOZLJL-UHFFFAOYSA-N 0 0 420.472 5.348 40 0 HKABRN COc1cccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cc(C)ccc3C)n2)c1 ZINC000408699699 558574023 /nfs/dbraw/zinc/57/40/23/558574023.db2.gz VTTYIFPTPREAEW-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2ccc(C)cc2)cc1 ZINC000408699705 558574030 /nfs/dbraw/zinc/57/40/30/558574030.db2.gz VVVAECCBGMOSOX-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2cccc(F)c2)nc1-c1ccc(Cl)cc1 ZINC000408699706 558574027 /nfs/dbraw/zinc/57/40/27/558574027.db2.gz YQJXYNNSAHAOAD-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2C)n1 ZINC000408699707 558574096 /nfs/dbraw/zinc/57/40/96/558574096.db2.gz VWEJLTYKOAAVMC-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2cccc(Cl)c2)nc1-c1cccc(Cl)c1 ZINC000408699717 557712966 /nfs/dbraw/zinc/71/29/66/557712966.db2.gz VYAFBWHLVHJOQS-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccc(F)cc2)c1 ZINC000408699723 558574094 /nfs/dbraw/zinc/57/40/94/558574094.db2.gz VYPWXZNEPRTNBF-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2cccc3ccccc32)nc1-c1ccc(F)cc1 ZINC000408699731 558574003 /nfs/dbraw/zinc/57/40/03/558574003.db2.gz VZPJXVBCIOTQHW-UHFFFAOYSA-N 0 0 422.463 5.787 40 0 HKABRN Cc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 ZINC000408699735 558574104 /nfs/dbraw/zinc/57/41/04/558574104.db2.gz WALYYQFNNNFGMV-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3C)n2)cc1 ZINC000408699737 558574066 /nfs/dbraw/zinc/57/40/66/558574066.db2.gz WANFXMDOKNCTMV-UHFFFAOYSA-N 0 0 400.457 5.197 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(F)cc2)c(C)c1 ZINC000408699767 558574082 /nfs/dbraw/zinc/57/40/82/558574082.db2.gz ZFLAQWIQNSENJK-UHFFFAOYSA-N 0 0 414.484 5.559 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccccc2)cc1Cl ZINC000408699768 558574100 /nfs/dbraw/zinc/57/41/00/558574100.db2.gz WDLQNLSYBWDEMW-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc4ccccc43)nn2-c2ccccc2)cc1 ZINC000408699772 558574038 /nfs/dbraw/zinc/57/40/38/558574038.db2.gz WEFUITKUDOCNHK-UHFFFAOYSA-N 0 0 404.473 5.648 40 0 HKABRN O=C(Nc1cccc(Cl)c1)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 ZINC000408699774 558574107 /nfs/dbraw/zinc/57/41/07/558574107.db2.gz WELICAKEYITBTG-UHFFFAOYSA-N 0 0 410.811 5.118 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccccc2)c1 ZINC000408699781 558574090 /nfs/dbraw/zinc/57/40/90/558574090.db2.gz WFLFLHROXKKEKM-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2cc(C)ccc2C)c1 ZINC000408699791 558574069 /nfs/dbraw/zinc/57/40/69/558574069.db2.gz WGJWWPFDSGADBG-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)cc3)n2)cc1 ZINC000408699793 558574057 /nfs/dbraw/zinc/57/40/57/558574057.db2.gz WGMZBIRGDWHWME-UHFFFAOYSA-N 0 0 416.912 5.711 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccc(C)c(Cl)c2)cc1 ZINC000408699795 558574166 /nfs/dbraw/zinc/57/41/66/558574166.db2.gz WGXJAJIQEVKXKP-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccccc2C)cc1 ZINC000408699797 558574208 /nfs/dbraw/zinc/57/42/08/558574208.db2.gz WHTUHMLWDFZEGR-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3)n2)c1 ZINC000408699798 558574264 /nfs/dbraw/zinc/57/42/64/558574264.db2.gz ZJACDVSGKJSOMP-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccc(C)c(C)c2)cc1 ZINC000408699802 558574216 /nfs/dbraw/zinc/57/42/16/558574216.db2.gz ZJVKAWQCIKEETK-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(C)ccc3C)n2)cc1 ZINC000408699808 558574284 /nfs/dbraw/zinc/57/42/84/558574284.db2.gz WJBVZQNWOWAIIF-UHFFFAOYSA-N 0 0 414.484 5.505 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccc(F)cc2)c1 ZINC000408699811 558574238 /nfs/dbraw/zinc/57/42/38/558574238.db2.gz WJEDJGFBMFHWCY-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 ZINC000408699816 558574262 /nfs/dbraw/zinc/57/42/62/558574262.db2.gz WJHLIXAFSKWYQO-UHFFFAOYSA-N 0 0 424.838 5.427 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(C)cc2)cc1 ZINC000408699822 558574181 /nfs/dbraw/zinc/57/41/81/558574181.db2.gz WJPOJHYWJRGXRV-UHFFFAOYSA-N 0 0 416.456 5.033 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccccc2)c(C)c1 ZINC000408699828 558574245 /nfs/dbraw/zinc/57/42/45/558574245.db2.gz ZOCDMRUMOSFKKQ-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1ccccc1NC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(C)cc2C)n1 ZINC000408699831 558574231 /nfs/dbraw/zinc/57/42/31/558574231.db2.gz WLOIHTJTBCEWJR-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN O=C(Nc1cccc(Cl)c1)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 ZINC000408699834 558574171 /nfs/dbraw/zinc/57/41/71/558574171.db2.gz WLOJCXZBCAUOSX-UHFFFAOYSA-N 0 0 409.276 5.493 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccc(Cl)cc2)cc1 ZINC000408699835 557718825 /nfs/dbraw/zinc/71/88/25/557718825.db2.gz WLRISPQNEUBSOV-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cccc4ccccc43)nc2-c2ccccc2)c1C ZINC000408699843 558574281 /nfs/dbraw/zinc/57/42/81/558574281.db2.gz WNHQMZDVSNLDQU-UHFFFAOYSA-N 0 0 418.500 5.957 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2cc(C)ccc2C)cc1 ZINC000408699846 558574267 /nfs/dbraw/zinc/57/42/67/558574267.db2.gz ZSNNYMTWCMXITO-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000408699869 558574214 /nfs/dbraw/zinc/57/42/14/558574214.db2.gz WQKOJFRCWZCHMK-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc4ccccc43)nc2-c2ccccc2)c1 ZINC000408699885 558574188 /nfs/dbraw/zinc/57/41/88/558574188.db2.gz WSJFCBPTOPXUHI-UHFFFAOYSA-N 0 0 418.500 5.957 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccccc2)cc1 ZINC000408699890 557718889 /nfs/dbraw/zinc/71/88/89/557718889.db2.gz WTMPIFHYGAVNPV-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(Cl)cc2)cc1 ZINC000408699891 558574227 /nfs/dbraw/zinc/57/42/27/558574227.db2.gz WTPIOUWDEHMBRT-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3C)n2)c1 ZINC000408699904 558574352 /nfs/dbraw/zinc/57/43/52/558574352.db2.gz WYJZLLZIXHWWTO-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN O=C(Nc1ccccc1F)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 ZINC000408699918 558574648 /nfs/dbraw/zinc/57/46/48/558574648.db2.gz XDYBTLLLIKKZMA-UHFFFAOYSA-N 0 0 410.811 5.118 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccccc2)c1 ZINC000408699921 558574933 /nfs/dbraw/zinc/57/49/33/558574933.db2.gz XFYFAYHOCVLUQE-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2cccc(Cl)c2)c1 ZINC000408699924 558574895 /nfs/dbraw/zinc/57/48/95/558574895.db2.gz XGHGIOPBFCZFSM-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cc(C)ccc3C)n2)c1 ZINC000408699925 558574886 /nfs/dbraw/zinc/57/48/86/558574886.db2.gz XGZMTLUCSZYJHL-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN O=C(Nc1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000408699926 558575039 /nfs/dbraw/zinc/57/50/39/558575039.db2.gz XHENGRZFYFFMCV-UHFFFAOYSA-N 0 0 409.276 5.493 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2cc(C)ccc2C)cc1 ZINC000408699929 558574899 /nfs/dbraw/zinc/57/48/99/558574899.db2.gz XIKHUSBEKZIZRY-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(C)c(C)c2)c1 ZINC000408699937 558575223 /nfs/dbraw/zinc/57/52/23/558575223.db2.gz XMXNDWGHPHEFNA-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccccc2C)cc1 ZINC000408699938 557718923 /nfs/dbraw/zinc/71/89/23/557718923.db2.gz XNBFKCZQVNWKNO-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(C)c3C)n2)c1 ZINC000408699943 558575431 /nfs/dbraw/zinc/57/54/31/558575431.db2.gz XOGKXYXAVFOVTN-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2cccc(C)c2C)cc1 ZINC000408699952 558568796 /nfs/dbraw/zinc/56/87/96/558568796.db2.gz XRISDCLPCOELSY-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(Cl)cc2)c1 ZINC000408699953 558568750 /nfs/dbraw/zinc/56/87/50/558568750.db2.gz XRKGOXQQBNLPBZ-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3)nc2-c2cccc(Cl)c2)c1 ZINC000408699957 558568733 /nfs/dbraw/zinc/56/87/33/558568733.db2.gz XTNBSVPJFOZXID-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(Cl)cc2)cc1 ZINC000408699958 558568972 /nfs/dbraw/zinc/56/89/72/558568972.db2.gz XTSYCZOLLBNPOY-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2cccc(Cl)c2)c1 ZINC000408699960 558568971 /nfs/dbraw/zinc/56/89/71/558568971.db2.gz XUGWSQUJSVJPCS-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(F)cc3)n2)c1 ZINC000408699966 558571443 /nfs/dbraw/zinc/57/14/43/558571443.db2.gz XVSLSKCHDWZKBF-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN COc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)cc3C)n2)c1 ZINC000408699968 558572176 /nfs/dbraw/zinc/57/21/76/558572176.db2.gz XWLNCNRQWPIMIA-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)c1 ZINC000408699970 558572379 /nfs/dbraw/zinc/57/23/79/558572379.db2.gz XWVZXSNDPNCVCI-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN O=C(Nc1ccccc1Cl)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 ZINC000408699971 558572574 /nfs/dbraw/zinc/57/25/74/558572574.db2.gz XWZHHGIBIRRKEF-UHFFFAOYSA-N 0 0 410.811 5.118 40 0 HKABRN COc1ccccc1NC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(Cl)cc2)n1 ZINC000408699973 558574042 /nfs/dbraw/zinc/57/40/42/558574042.db2.gz XXHLSBBQVCIEGR-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccccc2)c1 ZINC000408699979 558576228 /nfs/dbraw/zinc/57/62/28/558576228.db2.gz XZPTYYKZCWQZRT-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 ZINC000408699982 558576222 /nfs/dbraw/zinc/57/62/22/558576222.db2.gz XZSXJSQENWIQRT-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3)n2)c1 ZINC000408699983 558576136 /nfs/dbraw/zinc/57/61/36/558576136.db2.gz YANSAJMSWUTOCC-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccccc2)cc1 ZINC000408699990 558576139 /nfs/dbraw/zinc/57/61/39/558576139.db2.gz YBMUQGIYLGVEHJ-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2cccc(C)c2)c1 ZINC000408700003 558576385 /nfs/dbraw/zinc/57/63/85/558576385.db2.gz YGJZDIVLUCVLCQ-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1 ZINC000408700004 558576422 /nfs/dbraw/zinc/57/64/22/558576422.db2.gz YGRMMLVKEBGPDS-UHFFFAOYSA-N 0 0 402.885 5.402 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(Cl)cc2)c1 ZINC000408700005 558576556 /nfs/dbraw/zinc/57/65/56/558576556.db2.gz YGTQFAKRKYFIOU-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccccc2Cl)nc1-c1cccc(Cl)c1 ZINC000408700018 558576685 /nfs/dbraw/zinc/57/66/85/558576685.db2.gz YKVOERPCFVFMEX-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccc(F)cc2)cc1 ZINC000408700019 558576618 /nfs/dbraw/zinc/57/66/18/558576618.db2.gz YLJIXXVNJGKGMO-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN COc1ccccc1NC(=O)c1nc(-c2ccc(C)cc2)n(-c2cc(C)ccc2C)n1 ZINC000408700020 558576622 /nfs/dbraw/zinc/57/66/22/558576622.db2.gz YLOICTYOFUNDLK-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN O=C(Nc1ccccc1Cl)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 ZINC000408700026 558576563 /nfs/dbraw/zinc/57/65/63/558576563.db2.gz YNNPFUHIZYFISY-UHFFFAOYSA-N 0 0 409.276 5.493 40 0 HKABRN Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccccc2Cl)nc1-c1ccccc1 ZINC000408700029 558576595 /nfs/dbraw/zinc/57/65/95/558576595.db2.gz YPTVWPXHVWWMNY-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccc(F)cc2)c(C)c1 ZINC000408700074 558576560 /nfs/dbraw/zinc/57/65/60/558576560.db2.gz YQVLOZNERUICPT-UHFFFAOYSA-N 0 0 414.484 5.559 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2ccc(C)c(C)c2)c1 ZINC000408700076 558576679 /nfs/dbraw/zinc/57/66/79/558576679.db2.gz YRFRTKFSELIAGB-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2ccc(C)cc2C)c1 ZINC000408700078 558576550 /nfs/dbraw/zinc/57/65/50/558576550.db2.gz YROKFZZQAOIXCA-UHFFFAOYSA-N 0 0 410.521 5.729 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccc(Cl)cc2)cc1 ZINC000408700093 558576664 /nfs/dbraw/zinc/57/66/64/558576664.db2.gz YTSWCQXKXDVSBS-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000408700097 558576801 /nfs/dbraw/zinc/57/68/01/558576801.db2.gz YUOKXLOPEXCZNW-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)c1 ZINC000408700117 558576827 /nfs/dbraw/zinc/57/68/27/558576827.db2.gz YXAKPUOVNPLQMU-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN COc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)c1 ZINC000408700122 558576810 /nfs/dbraw/zinc/57/68/10/558576810.db2.gz YXYSKCJPAFHZSF-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccc(C)cc2)cc1 ZINC000408700126 558576850 /nfs/dbraw/zinc/57/68/50/558576850.db2.gz YYNRXYWCMOZPFW-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 ZINC000408700136 558576848 /nfs/dbraw/zinc/57/68/48/558576848.db2.gz ZAPTUWJZUADPCY-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(C)ccc3C)n2)c1 ZINC000408700140 558576788 /nfs/dbraw/zinc/57/67/88/558576788.db2.gz ZASPLUVWYWAWLU-UHFFFAOYSA-N 0 0 414.484 5.559 40 0 HKABRN O=C(Nc1ccccc1Cl)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 ZINC000408700144 558576822 /nfs/dbraw/zinc/57/68/22/558576822.db2.gz ZBMFPIHBERKFRV-UHFFFAOYSA-N 0 0 409.276 5.493 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc4ccccc43)nc2-c2ccc(F)cc2)cc1 ZINC000408700146 558576843 /nfs/dbraw/zinc/57/68/43/558576843.db2.gz ZBSLHNBXEWAZQL-UHFFFAOYSA-N 0 0 422.463 5.787 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2cccc(C)c2)cc1 ZINC000408700152 557719983 /nfs/dbraw/zinc/71/99/83/557719983.db2.gz ZCSSWPVLKDPOQL-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccccc2F)nc1-c1cccc(Cl)c1 ZINC000408700154 558576803 /nfs/dbraw/zinc/57/68/03/558576803.db2.gz ZDEPQZBBDGRZTE-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(F)cc2)cc1Cl ZINC000408700164 557719995 /nfs/dbraw/zinc/71/99/95/557719995.db2.gz ZEWIDIRTNIYMLR-UHFFFAOYSA-N 0 0 424.838 5.427 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(Cl)cc2)cc1 ZINC000408700173 558577096 /nfs/dbraw/zinc/57/70/96/558577096.db2.gz ZFQHMUUQGJSZTB-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(F)cc2)c(C)c1 ZINC000408700182 558577085 /nfs/dbraw/zinc/57/70/85/558577085.db2.gz ZGWBYMHAXRMBJI-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(F)cc2)cc1C ZINC000408700193 558576947 /nfs/dbraw/zinc/57/69/47/558576947.db2.gz ZIZULLDHIAFVGR-UHFFFAOYSA-N 0 0 404.420 5.082 40 0 HKABRN COc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2cc(Cl)ccc2C)n1 ZINC000408700195 558577106 /nfs/dbraw/zinc/57/71/06/558577106.db2.gz ZJIKSBPUIHXJRN-UHFFFAOYSA-N 0 0 418.884 5.157 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)cc1 ZINC000408700203 558577228 /nfs/dbraw/zinc/57/72/28/558577228.db2.gz ZLPXSKLVWJEOAS-UHFFFAOYSA-N 0 0 420.875 5.542 40 0 HKABRN CCOc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2cccc(C)c2)cc1 ZINC000408700207 558577272 /nfs/dbraw/zinc/57/72/72/558577272.db2.gz ZMRBUYNLYPCEHX-UHFFFAOYSA-N 0 0 412.493 5.202 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2cccc(C)c2)cc1 ZINC000408700208 558577265 /nfs/dbraw/zinc/57/72/65/558577265.db2.gz ZNBNRLCJPRHKSF-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000408700213 558577287 /nfs/dbraw/zinc/57/72/87/558577287.db2.gz ZPHQCNJZHFJULG-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2cccc(Cl)c2)cc1 ZINC000408700216 558577289 /nfs/dbraw/zinc/57/72/89/558577289.db2.gz ZQNABOHOVBKTIT-UHFFFAOYSA-N 0 0 402.885 5.457 40 0 HKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2cc(C)ccc2C)cc1 ZINC000408700220 558577274 /nfs/dbraw/zinc/57/72/74/558577274.db2.gz ZRXXXXSXLHQLMZ-UHFFFAOYSA-N 0 0 400.457 5.251 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2cccc(C)c2)c1 ZINC000408700223 558577258 /nfs/dbraw/zinc/57/72/58/558577258.db2.gz ZSTJQRNQBNGGOV-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(Cl)cc2)c1 ZINC000408700228 558577268 /nfs/dbraw/zinc/57/72/68/558577268.db2.gz ZTFJHYGRILAABO-UHFFFAOYSA-N 0 0 423.303 5.802 40 0 HKABRN Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)cc3C)n2)c1 ZINC000408700231 558577235 /nfs/dbraw/zinc/57/72/35/558577235.db2.gz ZWASFFIFIZQKIV-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccccc2)c(C)c1 ZINC000408700235 558577269 /nfs/dbraw/zinc/57/72/69/558577269.db2.gz ZWTLUYGOJDWLQM-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN COc1ccccc1NC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccc(C)c(C)c2)n1 ZINC000408700236 558577243 /nfs/dbraw/zinc/57/72/43/558577243.db2.gz ZXHNEIKTURYIMM-UHFFFAOYSA-N 0 0 412.493 5.120 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2cccc(C)c2)c1 ZINC000408700238 558577263 /nfs/dbraw/zinc/57/72/63/558577263.db2.gz ZXTFBQNFTDNKGZ-UHFFFAOYSA-N 0 0 416.912 5.765 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(Cl)cc2)cc1C ZINC000408700239 558577247 /nfs/dbraw/zinc/57/72/47/558577247.db2.gz ZXTHXARTYVMGCY-UHFFFAOYSA-N 0 0 420.875 5.596 40 0 HKABRN CCc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(C)c3C)n2)cc1 ZINC000408700240 558577251 /nfs/dbraw/zinc/57/72/51/558577251.db2.gz ZYABWTSZZLIMHL-UHFFFAOYSA-N 0 0 410.521 5.674 40 0 HKABRN Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(F)cc2)c1 ZINC000408700243 558577275 /nfs/dbraw/zinc/57/72/75/558577275.db2.gz ZYSUNNNYVIQQGV-UHFFFAOYSA-N 0 0 406.848 5.288 40 0 HKABRN COc1cccc2cc(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)oc21 ZINC000408700432 558577283 /nfs/dbraw/zinc/57/72/83/558577283.db2.gz FXLZOLYYWAMENM-UHFFFAOYSA-N 0 0 410.322 5.411 40 0 HKABRN COc1ccc(C(C)C)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000408700673 558577700 /nfs/dbraw/zinc/57/77/00/558577700.db2.gz KBSVTHIKNDMCDY-UHFFFAOYSA-N 0 0 409.551 5.210 40 0 HKABRN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408700802 558575662 /nfs/dbraw/zinc/57/56/62/558575662.db2.gz MCNFMDRNJIIIRC-UHFFFAOYSA-N 0 0 407.841 5.292 40 0 HKABRN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000408700957 558575765 /nfs/dbraw/zinc/57/57/65/558575765.db2.gz OYSHDEAHCSIAOK-UHFFFAOYSA-N 0 0 408.734 5.580 40 0 HKABRN COc1ccc(OCCCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000408702141 558576008 /nfs/dbraw/zinc/57/60/08/558576008.db2.gz DGIZKAFMNVKWPE-UHFFFAOYSA-N 0 0 407.535 5.785 40 0 HKABRN O=C(CCCOc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000408702923 558578178 /nfs/dbraw/zinc/57/81/78/558578178.db2.gz KCVPACJZZPMREK-UHFFFAOYSA-N 0 0 414.933 5.154 40 0 HKABRN CCC[C@@H](C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408703028 558578163 /nfs/dbraw/zinc/57/81/63/558578163.db2.gz DEQBXGQRXPRBAN-IVZQSRNASA-N 0 0 416.974 5.033 40 0 HKABRN CCC[C@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408703029 558578151 /nfs/dbraw/zinc/57/81/51/558578151.db2.gz DEQBXGQRXPRBAN-NYHFZMIOSA-N 0 0 416.974 5.033 40 0 HKABRN CCC[C@H](C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408703030 558578215 /nfs/dbraw/zinc/57/82/15/558578215.db2.gz DEQBXGQRXPRBAN-OYHNWAKOSA-N 0 0 416.974 5.033 40 0 HKABRN CCC[C@@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408703031 558578188 /nfs/dbraw/zinc/57/81/88/558578188.db2.gz DEQBXGQRXPRBAN-QRQCRPRQSA-N 0 0 416.974 5.033 40 0 HKABRN O=C(Nc1ccccc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408703157 558578184 /nfs/dbraw/zinc/57/81/84/558578184.db2.gz DURWZFHPOHFRSY-HSZRJFAPSA-N 0 0 422.937 5.367 40 0 HKABRN O=C(Nc1ccccc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408703159 558578229 /nfs/dbraw/zinc/57/82/29/558578229.db2.gz DURWZFHPOHFRSY-QHCPKHFHSA-N 0 0 422.937 5.367 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000408703229 558578165 /nfs/dbraw/zinc/57/81/65/558578165.db2.gz PBCXRQIFOZXHTP-KRWDZBQOSA-N 0 0 411.954 6.347 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 ZINC000408703231 558578231 /nfs/dbraw/zinc/57/82/31/558578231.db2.gz PBCXRQIFOZXHTP-QGZVFWFLSA-N 0 0 411.954 6.347 40 0 HKABRN Cc1ccc(OCCCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408703462 558578401 /nfs/dbraw/zinc/57/84/01/558578401.db2.gz SBCOQWLHUHRJTG-FQEVSTJZSA-N 0 0 416.521 5.284 40 0 HKABRN Cc1ccc(OCCCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000408703463 558578328 /nfs/dbraw/zinc/57/83/28/558578328.db2.gz SBCOQWLHUHRJTG-HXUWFJFHSA-N 0 0 416.521 5.284 40 0 HKABRN Cc1cccc(C(C)C)c1NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O ZINC000408704058 558579630 /nfs/dbraw/zinc/57/96/30/558579630.db2.gz JGALTUFRFIZJQC-UHFFFAOYSA-N 0 0 422.550 5.199 40 0 HKABRN CCCCc1ccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000408704709 558580669 /nfs/dbraw/zinc/58/06/69/558580669.db2.gz RRUIBSSZDDPXTF-UHFFFAOYSA-N 0 0 422.550 5.110 40 0 HKABRN CCCCCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408705053 558582872 /nfs/dbraw/zinc/58/28/72/558582872.db2.gz XMTIQWVNYAUJEV-JOCHJYFZSA-N 0 0 416.974 5.034 40 0 HKABRN CCCCCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408705054 558582892 /nfs/dbraw/zinc/58/28/92/558582892.db2.gz XMTIQWVNYAUJEV-QFIPXVFZSA-N 0 0 416.974 5.034 40 0 HKABRN COc1ccc(OCCCC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000408705355 558582835 /nfs/dbraw/zinc/58/28/35/558582835.db2.gz CWCLNHMDBGDWJN-UHFFFAOYSA-N 0 0 421.562 6.094 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc(C)c1Cl ZINC000408705404 558582898 /nfs/dbraw/zinc/58/28/98/558582898.db2.gz DZOVHHJWWJJGCN-FQEVSTJZSA-N 0 0 407.941 5.953 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc(C)c1Cl ZINC000408705405 558582865 /nfs/dbraw/zinc/58/28/65/558582865.db2.gz DZOVHHJWWJJGCN-HXUWFJFHSA-N 0 0 407.941 5.953 40 0 HKABRN Cc1ccc(OCCCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408705559 558582828 /nfs/dbraw/zinc/58/28/28/558582828.db2.gz INOCESYXNMCPOM-UHFFFAOYSA-N 0 0 412.382 5.510 40 0 HKABRN Cc1ccc(OCCCC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000408705655 558582884 /nfs/dbraw/zinc/58/28/84/558582884.db2.gz KOLHTUGJWWAESR-UHFFFAOYSA-N 0 0 405.563 6.393 40 0 HKABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408705753 558582843 /nfs/dbraw/zinc/58/28/43/558582843.db2.gz MUEZRYCARUJCFM-JOCHJYFZSA-N 0 0 423.896 5.376 40 0 HKABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408705754 558582845 /nfs/dbraw/zinc/58/28/45/558582845.db2.gz MUEZRYCARUJCFM-QFIPXVFZSA-N 0 0 423.896 5.376 40 0 HKABRN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000408705764 558582881 /nfs/dbraw/zinc/58/28/81/558582881.db2.gz MZAVDBSKPAGMME-AWEZNQCLSA-N 0 0 402.277 6.192 40 0 HKABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000408705765 558582896 /nfs/dbraw/zinc/58/28/96/558582896.db2.gz MZAVDBSKPAGMME-CQSZACIVSA-N 0 0 402.277 6.192 40 0 HKABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000408705783 558582848 /nfs/dbraw/zinc/58/28/48/558582848.db2.gz NKYSPRPDRYTSFH-GFCCVEGCSA-N 0 0 418.773 5.464 40 0 HKABRN C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000408705784 558582890 /nfs/dbraw/zinc/58/28/90/558582890.db2.gz NKYSPRPDRYTSFH-LBPRGKRZSA-N 0 0 418.773 5.464 40 0 HKABRN O=C(CCCOc1ccc(Cl)cc1)NCCSCc1c(F)cccc1Cl ZINC000408705791 558582886 /nfs/dbraw/zinc/58/28/86/558582886.db2.gz NOAGRZNZWSFBDZ-UHFFFAOYSA-N 0 0 416.345 5.341 40 0 HKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000408705794 558583093 /nfs/dbraw/zinc/58/30/93/558583093.db2.gz NPDIZHGHJZTZBU-GOSISDBHSA-N 0 0 405.563 6.541 40 0 HKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000408705795 558583060 /nfs/dbraw/zinc/58/30/60/558583060.db2.gz NPDIZHGHJZTZBU-SFHVURJKSA-N 0 0 405.563 6.541 40 0 HKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000408705810 558583137 /nfs/dbraw/zinc/58/31/37/558583137.db2.gz NVJNYZIIOZFVSE-GFCCVEGCSA-N 0 0 410.739 5.806 40 0 HKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000408705811 558583063 /nfs/dbraw/zinc/58/30/63/558583063.db2.gz NVJNYZIIOZFVSE-LBPRGKRZSA-N 0 0 410.739 5.806 40 0 HKABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000408705865 558583084 /nfs/dbraw/zinc/58/30/84/558583084.db2.gz OZHXYCUWBUKQIM-GFCCVEGCSA-N 0 0 418.773 5.464 40 0 HKABRN C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000408705866 558583099 /nfs/dbraw/zinc/58/30/99/558583099.db2.gz OZHXYCUWBUKQIM-LBPRGKRZSA-N 0 0 418.773 5.464 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)cc(C)c1Cl ZINC000408705920 557731772 /nfs/dbraw/zinc/73/17/72/557731772.db2.gz QHKZUENPPSAQKN-LLVKDONJSA-N 0 0 417.130 5.779 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)cc(C)c1Cl ZINC000408705921 558583030 /nfs/dbraw/zinc/58/30/30/558583030.db2.gz QHKZUENPPSAQKN-NSHDSACASA-N 0 0 417.130 5.779 40 0 HKABRN O=C(CCCOc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000408705969 558583133 /nfs/dbraw/zinc/58/31/33/558583133.db2.gz RONAJPFKNSJYRE-UHFFFAOYSA-N 0 0 422.912 5.068 40 0 HKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000408706059 558583057 /nfs/dbraw/zinc/58/30/57/558583057.db2.gz UITUXVDMXOBRJT-NRFANRHFSA-N 0 0 401.550 5.980 40 0 HKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000408706060 558583038 /nfs/dbraw/zinc/58/30/38/558583038.db2.gz UITUXVDMXOBRJT-OAQYLSRUSA-N 0 0 401.550 5.980 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)NCCSCc2ccccc2Cl)cc(C)c1Cl ZINC000408706183 558583080 /nfs/dbraw/zinc/58/30/80/558583080.db2.gz WUSCIZAXCHHCQK-HNNXBMFYSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)NCCSCc2ccccc2Cl)cc(C)c1Cl ZINC000408706184 558583034 /nfs/dbraw/zinc/58/30/34/558583034.db2.gz WUSCIZAXCHHCQK-OAHLLOKOSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1cc(O[C@@H](C)C(=O)NCCSCc2cccc(Cl)c2)cc(C)c1Cl ZINC000408706220 558583024 /nfs/dbraw/zinc/58/30/24/558583024.db2.gz XTEMMEVMEUHCJQ-HNNXBMFYSA-N 0 0 412.382 5.427 40 0 HKABRN Cc1cc(O[C@H](C)C(=O)NCCSCc2cccc(Cl)c2)cc(C)c1Cl ZINC000408706221 558583103 /nfs/dbraw/zinc/58/31/03/558583103.db2.gz XTEMMEVMEUHCJQ-OAHLLOKOSA-N 0 0 412.382 5.427 40 0 HKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000408706247 558583071 /nfs/dbraw/zinc/58/30/71/558583071.db2.gz YMUAFLAUDGVHPB-IBGZPJMESA-N 0 0 419.590 6.682 40 0 HKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000408706248 557732206 /nfs/dbraw/zinc/73/22/06/557732206.db2.gz YMUAFLAUDGVHPB-LJQANCHMSA-N 0 0 419.590 6.682 40 0 HKABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000408706279 558583052 /nfs/dbraw/zinc/58/30/52/558583052.db2.gz ZDGNGFOPTAWJSG-NRFANRHFSA-N 0 0 411.885 5.937 40 0 HKABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000408706280 558583076 /nfs/dbraw/zinc/58/30/76/558583076.db2.gz ZDGNGFOPTAWJSG-OAQYLSRUSA-N 0 0 411.885 5.937 40 0 HKABRN O=C(CCCOc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000408706367 557732535 /nfs/dbraw/zinc/73/25/35/557732535.db2.gz HCCHKUYEYGYRNP-UHFFFAOYSA-N 0 0 416.304 6.583 40 0 HKABRN Cc1cc(NC(=O)c2cc3cc(Br)ccc3o2)ccc1Br ZINC000408706493 558583067 /nfs/dbraw/zinc/58/30/67/558583067.db2.gz ACMPAAJSUFOCAC-UHFFFAOYSA-N 0 0 409.077 5.519 40 0 HKABRN CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)CC1 ZINC000408707119 558583088 /nfs/dbraw/zinc/58/30/88/558583088.db2.gz HAMWCTWWPRANFM-AOCRQIFASA-N 0 0 404.982 5.113 40 0 HKABRN CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)CC1 ZINC000408707122 558583016 /nfs/dbraw/zinc/58/30/16/558583016.db2.gz HAMWCTWWPRANFM-WWDZGPRUSA-N 0 0 404.982 5.113 40 0 HKABRN CCC(C)(C)C1CCC(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)CC1 ZINC000408707206 558583047 /nfs/dbraw/zinc/58/30/47/558583047.db2.gz LCQIXZVCFAKNGA-UHFFFAOYSA-N 0 0 420.597 5.046 40 0 HKABRN CCCCCOc1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)CC)CC2)cc1 ZINC000408708049 558583251 /nfs/dbraw/zinc/58/32/51/558583251.db2.gz GHZXOCPLDABXEP-UHFFFAOYSA-N 0 0 402.579 5.305 40 0 HKABRN CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000408708477 558583325 /nfs/dbraw/zinc/58/33/25/558583325.db2.gz IJWUIWQDPBWWDD-UHFFFAOYSA-N 0 0 418.887 5.409 40 0 HKABRN CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000408708664 558583255 /nfs/dbraw/zinc/58/32/55/558583255.db2.gz KGNMHOBZVNAKQI-UHFFFAOYSA-N 0 0 418.887 5.409 40 0 HKABRN CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000408709128 558583272 /nfs/dbraw/zinc/58/32/72/558583272.db2.gz XXFOMAVTHPYMPM-HJOIGYKYSA-N 0 0 424.507 5.170 40 0 HKABRN CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000408709130 558583310 /nfs/dbraw/zinc/58/33/10/558583310.db2.gz XXFOMAVTHPYMPM-KLHKWILBSA-N 0 0 424.507 5.170 40 0 HKABRN CC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)CC1 ZINC000408709328 558583311 /nfs/dbraw/zinc/58/33/11/558583311.db2.gz ZRXPGKIWXCYXDH-NFOMZHRRSA-N 0 0 411.373 5.067 40 0 HKABRN CC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)CC1 ZINC000408709329 558583347 /nfs/dbraw/zinc/58/33/47/558583347.db2.gz ZRXPGKIWXCYXDH-WLYUNCDWSA-N 0 0 411.373 5.067 40 0 HKABRN CC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000408709724 558583315 /nfs/dbraw/zinc/58/33/15/558583315.db2.gz WIKWXEJUAGXNNB-UHFFFAOYSA-N 0 0 404.860 5.018 40 0 HKABRN CC(C)(C)C1CCC(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000408709804 558583360 /nfs/dbraw/zinc/58/33/60/558583360.db2.gz XERVNTPJPFEWEJ-UHFFFAOYSA-N 0 0 404.860 5.018 40 0 HKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1SCc1ccccc1 ZINC000408711112 558581737 /nfs/dbraw/zinc/58/17/37/558581737.db2.gz HKPWPVWZCQJEIB-UHFFFAOYSA-N 0 0 421.871 6.903 40 0 HKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1SCc1ccccc1 ZINC000408711457 557741926 /nfs/dbraw/zinc/74/19/26/557741926.db2.gz YTTJJXAVIOMWJR-UHFFFAOYSA-N 0 0 421.871 6.903 40 0 HKABRN O=C(Nc1ccc2sc(C(=O)N3CCCC3)cc2c1)c1cccc(C(F)(F)F)c1 ZINC000408712911 558585320 /nfs/dbraw/zinc/58/53/20/558585320.db2.gz AZPXSRFUXRQMTP-UHFFFAOYSA-N 0 0 418.440 5.408 40 0 HKABRN COc1ccc(Cl)cc1C(=O)Nc1ccc2sc(C(=O)N3CCCC3)cc2c1 ZINC000408712943 558585313 /nfs/dbraw/zinc/58/53/13/558585313.db2.gz CKIREYVPALTWLR-UHFFFAOYSA-N 0 0 414.914 5.052 40 0 HKABRN O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1ccc(F)c(F)c1F ZINC000408712987 558585326 /nfs/dbraw/zinc/58/53/26/558585326.db2.gz FGQDLNQSIMBMBN-UHFFFAOYSA-N 0 0 418.440 5.197 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc3sc(C(=O)N4CCCC4)cc3c2)cc1C ZINC000408713051 558585337 /nfs/dbraw/zinc/58/53/37/558585337.db2.gz IHHHTINCUFAARU-UHFFFAOYSA-N 0 0 408.523 5.097 40 0 HKABRN CCn1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(=O)c2cc(C)ccc21 ZINC000408713087 558585311 /nfs/dbraw/zinc/58/53/11/558585311.db2.gz JSMHAMMHCHFYGV-UHFFFAOYSA-N 0 0 410.517 5.172 40 0 HKABRN O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1ccc(F)c(F)c1 ZINC000408713096 558585385 /nfs/dbraw/zinc/58/53/85/558585385.db2.gz KDTVCIJBWBRSMN-UHFFFAOYSA-N 0 0 400.450 5.058 40 0 HKABRN CCn1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(=O)c2ccccc21 ZINC000408713115 558585383 /nfs/dbraw/zinc/58/53/83/558585383.db2.gz KSIXPRZDFWTVNE-UHFFFAOYSA-N 0 0 418.880 5.719 40 0 HKABRN O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1cc(F)cc(F)c1 ZINC000408713120 558585652 /nfs/dbraw/zinc/58/56/52/558585652.db2.gz KWJICMFFVFGJJE-UHFFFAOYSA-N 0 0 400.450 5.058 40 0 HKABRN Cn1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(=O)c2ccccc21 ZINC000408713174 558585598 /nfs/dbraw/zinc/58/55/98/558585598.db2.gz NAUKHINLVUQTKX-UHFFFAOYSA-N 0 0 404.853 5.237 40 0 HKABRN O=C(Nc1ccc2sc(C(=O)N3CCCC3)cc2c1)c1ccccc1C(F)(F)F ZINC000408713211 558585563 /nfs/dbraw/zinc/58/55/63/558585563.db2.gz OGDMJGNVNUJSQW-UHFFFAOYSA-N 0 0 418.440 5.408 40 0 HKABRN O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1ccc(F)cc1F ZINC000408713217 558585589 /nfs/dbraw/zinc/58/55/89/558585589.db2.gz OKZOWFKIWJEUNK-UHFFFAOYSA-N 0 0 400.450 5.058 40 0 HKABRN CCn1cc(C(=O)Nc2ccccc2Sc2ccccc2)c(=O)c2cc(C)ccc21 ZINC000408713223 558585617 /nfs/dbraw/zinc/58/56/17/558585617.db2.gz ONSGLKPSLHJFEY-UHFFFAOYSA-N 0 0 414.530 5.733 40 0 HKABRN CCn1cc(C(=O)Nc2ccccc2Sc2ccccc2)c(=O)c2ccccc21 ZINC000408713252 558585578 /nfs/dbraw/zinc/58/55/78/558585578.db2.gz PVNWTRMPCPUTFF-UHFFFAOYSA-N 0 0 400.503 5.425 40 0 HKABRN CCn1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(=O)c2cc(Cl)ccc21 ZINC000408713301 558585622 /nfs/dbraw/zinc/58/56/22/558585622.db2.gz RVRWZKLJFXIMNY-UHFFFAOYSA-N 0 0 418.880 5.719 40 0 HKABRN CCn1cc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)c2cc(Cl)ccc21 ZINC000408713316 558585544 /nfs/dbraw/zinc/58/55/44/558585544.db2.gz SJBUCVNOXCQPKT-UHFFFAOYSA-N 0 0 416.908 5.194 40 0 HKABRN CCOc1ccc(C(=O)Nc2ccc3sc(C(=O)N4CCCCC4)cc3c2)cc1C ZINC000408713340 558585640 /nfs/dbraw/zinc/58/56/40/558585640.db2.gz UFOHYISQVVSJTA-UHFFFAOYSA-N 0 0 422.550 5.487 40 0 HKABRN Cc1cccc(C)c1OCC(=O)Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1 ZINC000408713344 558585631 /nfs/dbraw/zinc/58/56/31/558585631.db2.gz UPLBOHSAYZAEKR-UHFFFAOYSA-N 0 0 422.550 5.162 40 0 HKABRN O=C(Nc1ccc2sc(C(=O)N3CCCC3)cc2c1)c1ccc(Cl)cc1Cl ZINC000408713350 558585613 /nfs/dbraw/zinc/58/56/13/558585613.db2.gz UVIDVAVRLITGCQ-UHFFFAOYSA-N 0 0 419.333 5.696 40 0 HKABRN O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1cc(F)ccc1F ZINC000408713395 558585561 /nfs/dbraw/zinc/58/55/61/558585561.db2.gz WMEIRJCTTWFSLW-UHFFFAOYSA-N 0 0 400.450 5.058 40 0 HKABRN CCn1cc(C(=O)Nc2ccccc2Oc2ccccc2)c(=O)c2cc(Cl)ccc21 ZINC000408713456 558585554 /nfs/dbraw/zinc/58/55/54/558585554.db2.gz ZMRHPVFBWPJUDY-UHFFFAOYSA-N 0 0 418.880 5.719 40 0 HKABRN COc1ccc(C(=O)Nc2ccc3sc(C(=O)N4CCCCC4)cc3c2)cc1C ZINC000408713461 558585585 /nfs/dbraw/zinc/58/55/85/558585585.db2.gz ZPZUGTCKWFALKM-UHFFFAOYSA-N 0 0 408.523 5.097 40 0 HKABRN COc1ccc2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(C)nc2c1 ZINC000408713487 558585549 /nfs/dbraw/zinc/58/55/49/558585549.db2.gz BMFXAMSTRXOZHR-UHFFFAOYSA-N 0 0 418.880 6.250 40 0 HKABRN COc1ccc2nc(C)c(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2c1 ZINC000408713492 558585609 /nfs/dbraw/zinc/58/56/09/558585609.db2.gz BTCYRYXQOTWCRU-UHFFFAOYSA-N 0 0 418.880 6.250 40 0 HKABRN COc1ccc2nc(C)c(C(=O)Nc3ccccc3Sc3ccccc3)cc2c1 ZINC000408713758 558585635 /nfs/dbraw/zinc/58/56/35/558585635.db2.gz SZDYYXJUGARSMH-UHFFFAOYSA-N 0 0 400.503 5.955 40 0 HKABRN COc1ccc2cc(C(=O)Nc3ccccc3Sc3ccccc3)c(C)nc2c1 ZINC000408713763 558585592 /nfs/dbraw/zinc/58/55/92/558585592.db2.gz UFMYXXZCKHUMKR-UHFFFAOYSA-N 0 0 400.503 5.955 40 0 HKABRN CCCCOc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000408714038 558585604 /nfs/dbraw/zinc/58/56/04/558585604.db2.gz HDJKDDZTLWEVKW-UHFFFAOYSA-N 0 0 421.541 5.485 40 0 HKABRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000408714085 558585580 /nfs/dbraw/zinc/58/55/80/558585580.db2.gz IDFCZFWPLJIPEP-UHFFFAOYSA-N 0 0 405.542 5.604 40 0 HKABRN CCCOc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000408714118 558585537 /nfs/dbraw/zinc/58/55/37/558585537.db2.gz JAVYDXQYCXVZQZ-UHFFFAOYSA-N 0 0 407.514 5.095 40 0 HKABRN Cc1ccc(-c2nnc(CN(C)C(=O)c3ccccc3CCc3ccccc3)o2)cc1 ZINC000408714127 558585657 /nfs/dbraw/zinc/58/56/57/558585657.db2.gz JGOMKAXBMPCLHY-UHFFFAOYSA-N 0 0 411.505 5.102 40 0 HKABRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)Cc1cccc2ccccc21 ZINC000408714151 558585662 /nfs/dbraw/zinc/58/56/62/558585662.db2.gz JXSVGXXWCSMWTN-UHFFFAOYSA-N 0 0 413.521 5.388 40 0 HKABRN CCSc1ccccc1C(=O)N(C)Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000408714255 557752440 /nfs/dbraw/zinc/75/24/40/557752440.db2.gz MIGIEQDEDMQHDU-UHFFFAOYSA-N 0 0 409.555 5.418 40 0 HKABRN Cc1ccc(SCC(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000408714318 558585570 /nfs/dbraw/zinc/58/55/70/558585570.db2.gz OGFGKSFRVBMPHI-UHFFFAOYSA-N 0 0 409.555 5.093 40 0 HKABRN Cc1ccc(-c2nnc(CN(C)C(=O)CC(c3ccccc3)c3ccccc3)o2)cc1 ZINC000408714323 558585627 /nfs/dbraw/zinc/58/56/27/558585627.db2.gz OHWDRDZTLQEVGJ-UHFFFAOYSA-N 0 0 411.505 5.226 40 0 HKABRN Cc1ccc(S[C@@H](C)C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000408714350 558585575 /nfs/dbraw/zinc/58/55/75/558585575.db2.gz OWCMOOXDWGPJLD-KRWDZBQOSA-N 0 0 423.582 5.482 40 0 HKABRN Cc1ccc(S[C@H](C)C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000408714351 558585645 /nfs/dbraw/zinc/58/56/45/558585645.db2.gz OWCMOOXDWGPJLD-QGZVFWFLSA-N 0 0 423.582 5.482 40 0 HKABRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccc(Cl)cc1Cl ZINC000408714366 558585666 /nfs/dbraw/zinc/58/56/66/558585666.db2.gz PILJYMKIBLSKKO-UHFFFAOYSA-N 0 0 418.324 5.613 40 0 HKABRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1cc(Cl)ccc1Cl ZINC000408714395 558585529 /nfs/dbraw/zinc/58/55/29/558585529.db2.gz PXJYKRNJOCFKAR-UHFFFAOYSA-N 0 0 418.324 5.613 40 0 HKABRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)/C=C/c1ccccc1Cl ZINC000408714401 558585567 /nfs/dbraw/zinc/58/55/67/558585567.db2.gz PYSFCQWUYQTMHM-SDNWHVSQSA-N 0 0 409.917 5.359 40 0 HKABRN CC(C)Oc1cccc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1 ZINC000408714658 557754473 /nfs/dbraw/zinc/75/44/73/557754473.db2.gz UGEHXDVFCNXUJZ-UHFFFAOYSA-N 0 0 407.514 5.094 40 0 HKABRN CC(C)Oc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000408714667 558585781 /nfs/dbraw/zinc/58/57/81/558585781.db2.gz UPUWTNXQOFPKRQ-UHFFFAOYSA-N 0 0 407.514 5.094 40 0 HKABRN CN(Cc1nnc(-c2ccccc2)o1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000408714691 558585772 /nfs/dbraw/zinc/58/57/72/558585772.db2.gz VKFWHTUXNLXSGQ-UHFFFAOYSA-N 0 0 414.490 5.591 40 0 HKABRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1c(Cl)cccc1Cl ZINC000408714710 558585773 /nfs/dbraw/zinc/58/57/73/558585773.db2.gz VZGRRDRQVQDRSN-UHFFFAOYSA-N 0 0 418.324 5.613 40 0 HKABRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000408714870 557751983 /nfs/dbraw/zinc/75/19/83/557751983.db2.gz XYQSTICOXZXTPG-UHFFFAOYSA-N 0 0 418.324 5.613 40 0 HKABRN O=C(CNc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(C2CCCCC2)cc1 ZINC000408718575 557761525 /nfs/dbraw/zinc/76/15/25/557761525.db2.gz AMEQENWVJLTQGK-UHFFFAOYSA-N 0 0 419.952 7.475 40 0 HKABRN COc1ccc(CN(C)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=S)cc1 ZINC000408718695 558585786 /nfs/dbraw/zinc/58/57/86/558585786.db2.gz XZJIZDBCJYJFPL-UHFFFAOYSA-N 0 0 416.550 5.168 40 0 HKABRN O=C(Oc1csc(=S)n1C(=O)c1ccccc1Cl)c1ccccc1Cl ZINC000408718869 558585751 /nfs/dbraw/zinc/58/57/51/558585751.db2.gz AVDGDLMZPLHYCR-UHFFFAOYSA-N 0 0 410.303 5.494 40 0 HKABRN O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1CNc1cccc(Cl)c1 ZINC000408719505 558585964 /nfs/dbraw/zinc/58/59/64/558585964.db2.gz MUXYUPIMUSPFTR-OVCLIPMQSA-N 0 0 423.719 5.208 40 0 HKABRN O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1CNc1ccccc1Cl ZINC000408719754 558585908 /nfs/dbraw/zinc/58/59/08/558585908.db2.gz QQDVJNRSNOVCOM-OQLLNIDSSA-N 0 0 423.719 5.208 40 0 HKABRN Cc1ccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(C)cc2)cc1 ZINC000408721033 558587686 /nfs/dbraw/zinc/58/76/86/558587686.db2.gz IMBVKRLZHZUKDA-UHFFFAOYSA-N 0 0 408.586 6.782 40 0 HKABRN CC1CCN(C(=S)Oc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)CC1 ZINC000408721426 558587697 /nfs/dbraw/zinc/58/76/97/558587697.db2.gz HJRXWTAEWHGJLN-UHFFFAOYSA-N 0 0 404.535 5.488 40 0 HKABRN Cc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)c1 ZINC000408721940 558588284 /nfs/dbraw/zinc/58/82/84/558588284.db2.gz BMSRRILMIRYUSW-UHFFFAOYSA-N 0 0 404.922 6.691 40 0 HKABRN COc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3)sc2-c2ccccc2)cc1 ZINC000408722049 558588560 /nfs/dbraw/zinc/58/85/60/558588560.db2.gz CNRWZNRVWLTFMI-UHFFFAOYSA-N 0 0 420.921 6.391 40 0 HKABRN CC1CCN(C(=S)Oc2cccc(C(=O)Nc3ccc4ccccc4c3)c2)CC1 ZINC000408722153 558588572 /nfs/dbraw/zinc/58/85/72/558588572.db2.gz PNGBJEJHSBGOKD-UHFFFAOYSA-N 0 0 404.535 5.488 40 0 HKABRN O=C1c2cccc3c(NCc4ccccc4)ccc(c32)C(=O)N1c1cccc(Cl)c1 ZINC000408722254 558588517 /nfs/dbraw/zinc/58/85/17/558588517.db2.gz SJEHQDXSWXKXOM-UHFFFAOYSA-N 0 0 412.876 5.906 40 0 HKABRN O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1)c1cccc(F)c1 ZINC000408722587 557770391 /nfs/dbraw/zinc/77/03/91/557770391.db2.gz LIMAMUZYHWVGCG-UHFFFAOYSA-N 0 0 408.885 6.522 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(C)o4)cc3)cc2)o1 ZINC000408722861 558588727 /nfs/dbraw/zinc/58/87/27/558588727.db2.gz HCYIJLBOSFKUCH-UHFFFAOYSA-N 0 0 400.434 5.661 40 0 HKABRN COc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)c(-c3ccccc3)s2)cc1 ZINC000408722881 558588681 /nfs/dbraw/zinc/58/86/81/558588681.db2.gz NZIRVMHUCSTOSZ-UHFFFAOYSA-N 0 0 416.502 5.747 40 0 HKABRN CC1CCN(C(=S)Oc2cccc(C(=O)Nc3cccc4ccccc43)c2)CC1 ZINC000408722889 558588667 /nfs/dbraw/zinc/58/86/67/558588667.db2.gz YCVQZZXWGTUFFT-UHFFFAOYSA-N 0 0 404.535 5.488 40 0 HKABRN COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 ZINC000408723012 558588953 /nfs/dbraw/zinc/58/89/53/558588953.db2.gz PMJHZMOASIOKIY-UHFFFAOYSA-N 0 0 420.921 6.391 40 0 HKABRN CC1CCN(C(=S)Oc2ccc(C(=O)Nc3cccc4ccccc43)cc2)CC1 ZINC000408723169 558588945 /nfs/dbraw/zinc/58/89/45/558588945.db2.gz ZSSDGINNIZJSNO-UHFFFAOYSA-N 0 0 404.535 5.488 40 0 HKABRN Cc1ccc(N2C(=O)c3cccc4c(NCc5ccccc5)ccc(c43)C2=O)c(C)c1 ZINC000408723171 558588977 /nfs/dbraw/zinc/58/89/77/558588977.db2.gz ZUFMOEBWXDAKFU-UHFFFAOYSA-N 0 0 406.485 5.869 40 0 HKABRN COc1ccc(-c2nc(NC(=O)c3cccc(C)c3)sc2-c2ccccc2)cc1 ZINC000408723214 558588902 /nfs/dbraw/zinc/58/89/02/558588902.db2.gz RDVRKTXBNNOFII-UHFFFAOYSA-N 0 0 400.503 6.046 40 0 HKABRN COc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000408723282 558589010 /nfs/dbraw/zinc/58/90/10/558589010.db2.gz SPLGLVOGNRFICC-UHFFFAOYSA-N 0 0 420.921 6.391 40 0 HKABRN Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 ZINC000408723666 558585970 /nfs/dbraw/zinc/58/59/70/558585970.db2.gz ZIHDLYNIERJTEX-UHFFFAOYSA-N 0 0 404.922 6.691 40 0 HKABRN CC(C)(C)c1ccc([C@@H]2C=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000408723769 558586264 /nfs/dbraw/zinc/58/62/64/558586264.db2.gz KZKDKSKIVRACQK-DEOSSOPVSA-N 0 0 418.487 6.346 40 0 HKABRN CC(C)(C)c1ccc([C@H]2C=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000408723770 558586231 /nfs/dbraw/zinc/58/62/31/558586231.db2.gz KZKDKSKIVRACQK-XMMPIXPASA-N 0 0 418.487 6.346 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2cc(-c3cccc4ccccc43)n(-c3ccccc3)n2)c1 ZINC000408723896 557773413 /nfs/dbraw/zinc/77/34/13/557773413.db2.gz AASTYXUHFIIFQM-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)nn2-c2ccccc2)cc1 ZINC000408723904 558586283 /nfs/dbraw/zinc/58/62/83/558586283.db2.gz ADBANVUGXNBIKA-UHFFFAOYSA-N 0 0 421.422 6.119 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)NC2CCCCC2)cc1-c1cccc2ccccc21 ZINC000408723910 558586294 /nfs/dbraw/zinc/58/62/94/558586294.db2.gz AEQWCUJMKAJBDM-UHFFFAOYSA-N 0 0 409.533 6.063 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)cc2-c2cccc3ccccc32)cc1 ZINC000408723919 558586325 /nfs/dbraw/zinc/58/63/25/558586325.db2.gz AJYTXQFGJTWCMB-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1ccccc1NC(=O)c1cc(-c2cccc3ccccc32)n(-c2ccccc2C)n1 ZINC000408723920 558586297 /nfs/dbraw/zinc/58/62/97/558586297.db2.gz AKJBYZSGPLBWSY-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3C)nn2-c2ccc(C)cc2)cc1 ZINC000408723930 558586279 /nfs/dbraw/zinc/58/62/79/558586279.db2.gz AOWROKJBBNOAGX-UHFFFAOYSA-N 0 0 409.533 6.334 40 0 HKABRN Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc43)n(-c3ccccc3)n2)cc1 ZINC000408723942 558586309 /nfs/dbraw/zinc/58/63/09/558586309.db2.gz ASSMJENUEDFOTC-UHFFFAOYSA-N 0 0 403.485 6.253 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)nn2-c2cccc(C)c2)cc1 ZINC000408723966 558586321 /nfs/dbraw/zinc/58/63/21/558586321.db2.gz BGSYSLNLZBUWJD-UHFFFAOYSA-N 0 0 401.897 6.062 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)nn2-c2ccc(C)cc2)cc1 ZINC000408723968 558586405 /nfs/dbraw/zinc/58/64/05/558586405.db2.gz BGYKQYPVJCGAHC-UHFFFAOYSA-N 0 0 409.533 6.532 40 0 HKABRN Cc1cccc(NC(=O)c2cc(-c3cccc4ccccc43)n(-c3ccccc3C)n2)c1 ZINC000408723972 558586371 /nfs/dbraw/zinc/58/63/71/558586371.db2.gz BJKZQMPVRBJRDT-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccccc2)cc1-c1ccc2ccccc2c1 ZINC000408723993 558586392 /nfs/dbraw/zinc/58/63/92/558586392.db2.gz BVKJTWIAZBDQEU-UHFFFAOYSA-N 0 0 403.485 6.253 40 0 HKABRN Cc1ccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)cc1 ZINC000408724017 558586409 /nfs/dbraw/zinc/58/64/09/558586409.db2.gz CIMZQWATKFFBEN-UHFFFAOYSA-N 0 0 403.485 6.253 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)cc2-c2ccc3ccccc3c2)cc1 ZINC000408724022 558586378 /nfs/dbraw/zinc/58/63/78/558586378.db2.gz CMDCRHCZSRRBRW-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc43)n(-c3cccc(C)c3)n2)cc1 ZINC000408724023 558586384 /nfs/dbraw/zinc/58/63/84/558586384.db2.gz CMPIOVJHPJMOMP-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cccnc3)cc2-c2ccc3ccccc3c2)c1 ZINC000408724039 558586367 /nfs/dbraw/zinc/58/63/67/558586367.db2.gz CVMWMWMQJSAPQF-UHFFFAOYSA-N 0 0 404.473 5.648 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3)cc2-c2ccc3ccccc3c2)cc1 ZINC000408724056 558586464 /nfs/dbraw/zinc/58/64/64/558586464.db2.gz DGUMLGWXASRKQI-UHFFFAOYSA-N 0 0 403.485 6.253 40 0 HKABRN Cc1cccc(NC(=O)c2cc(-c3cccc4ccccc43)n(-c3ccccc3)n2)c1 ZINC000408724066 558586374 /nfs/dbraw/zinc/58/63/74/558586374.db2.gz DNMJFZVFSAXNSO-UHFFFAOYSA-N 0 0 403.485 6.253 40 0 HKABRN O=C(Nc1ccccc1Cl)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 ZINC000408724078 558586381 /nfs/dbraw/zinc/58/63/81/558586381.db2.gz DSQPVDUDCUCOQY-UHFFFAOYSA-N 0 0 423.903 6.598 40 0 HKABRN Cc1cccc(-n2nc(C(=O)NC3CCCCC3)cc2-c2ccc3ccccc3c2)c1 ZINC000408724087 558586456 /nfs/dbraw/zinc/58/64/56/558586456.db2.gz DWNNSCGZZJJCNQ-UHFFFAOYSA-N 0 0 409.533 6.063 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3C)cc2-c2cccc3ccccc32)c1 ZINC000408724102 558586365 /nfs/dbraw/zinc/58/63/65/558586365.db2.gz FIDDWKKRMWASFA-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1cc(-c2cccc3ccccc32)n(-c2ccccc2)n1 ZINC000408724104 558586460 /nfs/dbraw/zinc/58/64/60/558586460.db2.gz FKCRHRKHWBJGNF-UHFFFAOYSA-N 0 0 407.448 6.084 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(C)cc2)cc1 ZINC000408724110 558586394 /nfs/dbraw/zinc/58/63/94/558586394.db2.gz FMMIEXCCOQRUPK-UHFFFAOYSA-N 0 0 401.897 6.062 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)nn2-c2ccccc2C)cc1 ZINC000408724125 558586654 /nfs/dbraw/zinc/58/66/54/558586654.db2.gz FVBXOPRVJLKUOL-UHFFFAOYSA-N 0 0 401.897 6.062 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)cc2-c2cccc3ccccc32)cc1 ZINC000408724126 557773859 /nfs/dbraw/zinc/77/38/59/557773859.db2.gz FVIXUZMVRMJEJL-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccnc3)cc2-c2cccc3ccccc32)cc1 ZINC000408724161 558586752 /nfs/dbraw/zinc/58/67/52/558586752.db2.gz GRFWCXGTCJVLFA-UHFFFAOYSA-N 0 0 404.473 5.648 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccccc2)cc1-c1cccc2ccccc21 ZINC000408724163 558586646 /nfs/dbraw/zinc/58/66/46/558586646.db2.gz GSOSIGCAIVHHGG-UHFFFAOYSA-N 0 0 403.485 6.253 40 0 HKABRN O=C(Nc1ccccc1Cl)c1cc(-c2cccc3ccccc32)n(-c2ccccc2)n1 ZINC000408724171 557773868 /nfs/dbraw/zinc/77/38/68/557773868.db2.gz GYFPINPEYGYQIF-UHFFFAOYSA-N 0 0 423.903 6.598 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)nn2-c2ccccc2C)cc1 ZINC000408724176 558586709 /nfs/dbraw/zinc/58/67/09/558586709.db2.gz HAYDSXKVRALVTE-UHFFFAOYSA-N 0 0 409.533 6.532 40 0 HKABRN Cc1ccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)cc1C ZINC000408724214 558586682 /nfs/dbraw/zinc/58/66/82/558586682.db2.gz ICCHLLVZFLYPDV-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)nn2-c2ccccc2)cc1 ZINC000408724254 558586705 /nfs/dbraw/zinc/58/67/05/558586705.db2.gz JAMPCUKANYXLEE-UHFFFAOYSA-N 0 0 422.315 6.407 40 0 HKABRN Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc43)n(-c3ccccc3)n2)c(C)c1 ZINC000408724264 558586691 /nfs/dbraw/zinc/58/66/91/558586691.db2.gz JFOJSJSQZCSVQD-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)nn2-c2ccccc2)cc1 ZINC000408724267 558586641 /nfs/dbraw/zinc/58/66/41/558586641.db2.gz JFXKUKQPNXRBPV-UHFFFAOYSA-N 0 0 422.315 6.407 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)nn2-c2cccc(C)c2)cc1 ZINC000408724270 558586748 /nfs/dbraw/zinc/58/67/48/558586748.db2.gz JHSHYZYUWREWQG-UHFFFAOYSA-N 0 0 401.897 6.062 40 0 HKABRN CCOc1cccc(/C=C2\SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1O ZINC000408724310 558586657 /nfs/dbraw/zinc/58/66/57/558586657.db2.gz ARMQNGYJJSBPLC-NVNXTCNLSA-N 0 0 410.278 5.339 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccc(F)cc2)cc1-c1cccc2ccccc21 ZINC000408724420 558586760 /nfs/dbraw/zinc/58/67/60/558586760.db2.gz KABCUEUSMNIIPB-UHFFFAOYSA-N 0 0 421.475 6.392 40 0 HKABRN O=C(NC1CCCCC1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 ZINC000408724436 558586650 /nfs/dbraw/zinc/58/66/50/558586650.db2.gz KJBOTIJZAVXHNN-UHFFFAOYSA-N 0 0 421.544 6.269 40 0 HKABRN Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc43)n(-c3ccccc3)n2)cc1C ZINC000408724460 558586729 /nfs/dbraw/zinc/58/67/29/558586729.db2.gz KRGVNGCGJPFYAE-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1cccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)c1 ZINC000408724472 558586669 /nfs/dbraw/zinc/58/66/69/558586669.db2.gz LAEHBKRJZHGWGY-UHFFFAOYSA-N 0 0 403.485 6.253 40 0 HKABRN O=C(Nc1cccc(Cl)c1)c1cc(-c2cccc3ccccc32)n(-c2ccccc2)n1 ZINC000408724488 558586742 /nfs/dbraw/zinc/58/67/42/558586742.db2.gz LDSPZJVBCYDGGY-UHFFFAOYSA-N 0 0 423.903 6.598 40 0 HKABRN O=C(Oc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1)c1ccc(F)cc1 ZINC000408724498 558586718 /nfs/dbraw/zinc/58/67/18/558586718.db2.gz FDHOERVVUSGOTL-ZHZULCJRSA-N 0 0 419.433 5.286 40 0 HKABRN Cc1ccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3C)n2)cc1 ZINC000408724501 558586678 /nfs/dbraw/zinc/58/66/78/558586678.db2.gz LGQOLJYHCWYYTF-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1ccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)c(C)c1 ZINC000408724506 558586738 /nfs/dbraw/zinc/58/67/38/558586738.db2.gz LGWQRTXLGCYGDV-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3)cc2-c2cccc3ccccc32)c1 ZINC000408724575 558586816 /nfs/dbraw/zinc/58/68/16/558586816.db2.gz MDZCYXMNHRJQIS-UHFFFAOYSA-N 0 0 403.485 6.253 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 ZINC000408724883 558587347 /nfs/dbraw/zinc/58/73/47/558587347.db2.gz MPFPNJRMNGQDMG-UHFFFAOYSA-N 0 0 423.903 6.598 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2cccnc2)cc1-c1ccc2ccccc2c1 ZINC000408724904 558587351 /nfs/dbraw/zinc/58/73/51/558587351.db2.gz MUJLUOIXSLDEJC-UHFFFAOYSA-N 0 0 404.473 5.648 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccccc3)cc2-c2cccc3ccccc32)cc1 ZINC000408724909 558587390 /nfs/dbraw/zinc/58/73/90/558587390.db2.gz MWHWVYQHDYJOPB-UHFFFAOYSA-N 0 0 403.485 6.253 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1cc(-c2cccc3ccccc32)n(-c2ccccc2)n1 ZINC000408724930 558587362 /nfs/dbraw/zinc/58/73/62/558587362.db2.gz NDNULGUQVMWDCM-UHFFFAOYSA-N 0 0 423.903 6.598 40 0 HKABRN O=C(Nc1cccnc1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 ZINC000408724940 558587379 /nfs/dbraw/zinc/58/73/79/558587379.db2.gz NEIVKBFDRATLPD-UHFFFAOYSA-N 0 0 416.484 5.854 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3C)nn2-c2cccc(C)c2)cc1 ZINC000408725405 558590086 /nfs/dbraw/zinc/59/00/86/558590086.db2.gz OOVBMJNRJSVGAL-UHFFFAOYSA-N 0 0 409.533 6.334 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(C)cc2)cc1 ZINC000408725429 558590103 /nfs/dbraw/zinc/59/01/03/558590103.db2.gz OWWYWIBMEVTAHO-UHFFFAOYSA-N 0 0 401.897 6.062 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)nn2-c2cccc(C)c2)cc1 ZINC000408725456 558590067 /nfs/dbraw/zinc/59/00/67/558590067.db2.gz PGMOXBYCNYXWGT-UHFFFAOYSA-N 0 0 409.533 6.532 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)cc2-c2cccc3ccccc32)cc1 ZINC000408725463 558590187 /nfs/dbraw/zinc/59/01/87/558590187.db2.gz PJKCGUZDCBQBAH-UHFFFAOYSA-N 0 0 421.475 6.392 40 0 HKABRN Cc1cc(C)cc(NC(=O)c2cc(-c3cccc4ccccc43)n(-c3ccccc3)n2)c1 ZINC000408725468 558590130 /nfs/dbraw/zinc/59/01/30/558590130.db2.gz PMASYRMCZAUBGK-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2ccc(F)cc2)cc1-c1ccc2ccccc2c1 ZINC000408725493 558590412 /nfs/dbraw/zinc/59/04/12/558590412.db2.gz QEYIYZOCQPPOND-UHFFFAOYSA-N 0 0 421.475 6.392 40 0 HKABRN Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc43)n(-c3ccc(C)cc3)n2)cc1 ZINC000408725506 558590382 /nfs/dbraw/zinc/59/03/82/558590382.db2.gz QGOXBCKRFXOILD-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1cccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3cccc(C)c3)n2)c1 ZINC000408725887 558590278 /nfs/dbraw/zinc/59/02/78/558590278.db2.gz QQDXTKKIUIYDOE-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3cccnc3)cc2-c2cccc3ccccc32)c1 ZINC000408725895 558590299 /nfs/dbraw/zinc/59/02/99/558590299.db2.gz QSLRXHBPFIKJNA-UHFFFAOYSA-N 0 0 404.473 5.648 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3Cl)nn2-c2ccccc2)cc1 ZINC000408725971 558590351 /nfs/dbraw/zinc/59/03/51/558590351.db2.gz REIBJUMIJMQDSK-UHFFFAOYSA-N 0 0 422.315 6.407 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccccc2C)cc1 ZINC000408726008 558590313 /nfs/dbraw/zinc/59/03/13/558590313.db2.gz RIDOQLLYRGKCCG-UHFFFAOYSA-N 0 0 401.897 6.062 40 0 HKABRN Cc1cc(Br)ccc1NCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O ZINC000408726048 558590582 /nfs/dbraw/zinc/59/05/82/558590582.db2.gz PDCXEZSLZRGMPT-CXUHLZMHSA-N 0 0 421.291 5.003 40 0 HKABRN Cc1ccc(-n2nc(C(=O)NC3CCCCC3)cc2-c2cccc3ccccc32)cc1 ZINC000408726606 558589257 /nfs/dbraw/zinc/58/92/57/558589257.db2.gz SAUWYGBLYLOPNB-UHFFFAOYSA-N 0 0 409.533 6.063 40 0 HKABRN Cc1cc(C)cc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)c1 ZINC000408726640 558589201 /nfs/dbraw/zinc/58/92/01/558589201.db2.gz SFGHIXSXUMEYFU-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1ccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccc(C)cc3)n2)cc1 ZINC000408726657 558589159 /nfs/dbraw/zinc/58/91/59/558589159.db2.gz SKEWUFDWMAWCOH-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(F)cc3)cc2-c2cccc3ccccc32)c1 ZINC000408726726 558589451 /nfs/dbraw/zinc/58/94/51/558589451.db2.gz SZUCTIICMBMMOS-UHFFFAOYSA-N 0 0 421.475 6.392 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)c1 ZINC000408726733 558589425 /nfs/dbraw/zinc/58/94/25/558589425.db2.gz TWGSFGJWLYAFNT-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1ccccc1NC(=O)c1cc(-c2cccc3ccccc32)n(-c2ccccc2)n1 ZINC000408726768 558589477 /nfs/dbraw/zinc/58/94/77/558589477.db2.gz UKBBPVPTZWWUAZ-UHFFFAOYSA-N 0 0 403.485 6.253 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3)cc2-c2ccc3ccccc3c2)c1 ZINC000408726781 558589474 /nfs/dbraw/zinc/58/94/74/558589474.db2.gz UQCMCZHAXDNHQF-UHFFFAOYSA-N 0 0 403.485 6.253 40 0 HKABRN CCOc1ccc(/C=C2/SC(=O)N(CNc3cccc(Cl)c3C)C2=O)cc1 ZINC000408726826 558589454 /nfs/dbraw/zinc/58/94/54/558589454.db2.gz NEOACLTVJBZUPV-WOJGMQOQSA-N 0 0 402.903 5.153 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3C)nn2-c2ccccc2C)cc1 ZINC000408727148 558589362 /nfs/dbraw/zinc/58/93/62/558589362.db2.gz UZYGMQVWSGBIBW-UHFFFAOYSA-N 0 0 409.533 6.334 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)NC2CCCCC2)cc1-c1ccc2ccccc2c1 ZINC000408727208 558589346 /nfs/dbraw/zinc/58/93/46/558589346.db2.gz VDRFNKMOAJHOOY-UHFFFAOYSA-N 0 0 409.533 6.063 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccccc2C)cc1 ZINC000408727291 558589459 /nfs/dbraw/zinc/58/94/59/558589459.db2.gz VPMZVORCMPMTJX-UHFFFAOYSA-N 0 0 401.897 6.062 40 0 HKABRN Cc1ccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3cccc(C)c3)n2)cc1 ZINC000408727367 558589467 /nfs/dbraw/zinc/58/94/67/558589467.db2.gz WCHRTIBOENSHMS-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1ccccc1-n1nc(C(=O)Nc2cccnc2)cc1-c1cccc2ccccc21 ZINC000408727384 558589392 /nfs/dbraw/zinc/58/93/92/558589392.db2.gz WEVXEAHKDMCPHD-UHFFFAOYSA-N 0 0 404.473 5.648 40 0 HKABRN Cc1ccccc1NC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 ZINC000408727386 558589481 /nfs/dbraw/zinc/58/94/81/558589481.db2.gz WFGFWSFRXMHEFO-UHFFFAOYSA-N 0 0 403.485 6.253 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)cc2-c2ccc3ccccc3c2)cc1 ZINC000408727392 558589613 /nfs/dbraw/zinc/58/96/13/558589613.db2.gz WINOCDPQHNVXFC-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1cccc(-n2nc(C(=O)NC3CCCCC3)cc2-c2cccc3ccccc32)c1 ZINC000408727399 558589663 /nfs/dbraw/zinc/58/96/63/558589663.db2.gz WJPWMLPGJOYSBL-UHFFFAOYSA-N 0 0 409.533 6.063 40 0 HKABRN Cc1ccc(-n2nc(C(=O)NC3CCCCC3)cc2-c2ccc3ccccc3c2)cc1 ZINC000408727404 558589599 /nfs/dbraw/zinc/58/95/99/558589599.db2.gz WLOICKNHAZYNPX-UHFFFAOYSA-N 0 0 409.533 6.063 40 0 HKABRN Cc1cccc(NC(=O)c2cc(-c3cccc4ccccc43)n(-c3cccc(C)c3)n2)c1 ZINC000408727427 558589577 /nfs/dbraw/zinc/58/95/77/558589577.db2.gz WUNZZHMKAFQAJR-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 ZINC000408727688 558591947 /nfs/dbraw/zinc/59/19/47/558591947.db2.gz XATLZNXRBRYMGO-UHFFFAOYSA-N 0 0 407.448 6.084 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3cccnc3)cc2-c2ccc3ccccc3c2)cc1 ZINC000408727729 558591877 /nfs/dbraw/zinc/59/18/77/558591877.db2.gz XGSGRJJJBADCJR-UHFFFAOYSA-N 0 0 404.473 5.648 40 0 HKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)cc2-c2ccc3ccccc3c2)cc1 ZINC000408727745 558591890 /nfs/dbraw/zinc/59/18/90/558591890.db2.gz XIJQWERDUOWEMK-UHFFFAOYSA-N 0 0 421.475 6.392 40 0 HKABRN O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 ZINC000408727794 558591882 /nfs/dbraw/zinc/59/18/82/558591882.db2.gz XQVRQBZCKJSTFF-UHFFFAOYSA-N 0 0 423.903 6.598 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)nn2-c2cccc(C)c2)cc1 ZINC000408727800 558591852 /nfs/dbraw/zinc/59/18/52/558591852.db2.gz XTDSVXHQLLXVJC-UHFFFAOYSA-N 0 0 401.897 6.062 40 0 HKABRN Cc1cccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3C)n2)c1 ZINC000408727854 558592154 /nfs/dbraw/zinc/59/21/54/558592154.db2.gz YDIHOFZLGMKQEC-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN O=C(Nc1ccccc1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 ZINC000408727864 558592107 /nfs/dbraw/zinc/59/21/07/558592107.db2.gz YFIQWDSNHGEKHP-UHFFFAOYSA-N 0 0 415.496 6.459 40 0 HKABRN Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(C)cc2)cc1 ZINC000408727869 558592103 /nfs/dbraw/zinc/59/21/03/558592103.db2.gz YGXSNAIRLACPTR-UHFFFAOYSA-N 0 0 401.897 6.062 40 0 HKABRN Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc43)n(-c3ccccc3C)n2)cc1 ZINC000408727883 558592160 /nfs/dbraw/zinc/59/21/60/558592160.db2.gz YOBBFPPIHOCWIM-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(F)cc3)cc2-c2ccc3ccccc3c2)c1 ZINC000408727893 558592195 /nfs/dbraw/zinc/59/21/95/558592195.db2.gz YSIFCSPQRQLKRQ-UHFFFAOYSA-N 0 0 421.475 6.392 40 0 HKABRN Cc1cccc(-n2nc(C(=O)Nc3ccccc3C)cc2-c2ccc3ccccc3c2)c1 ZINC000408727973 558592364 /nfs/dbraw/zinc/59/23/64/558592364.db2.gz YUDWJPPRSQMESA-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1ccccc1NC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2C)n1 ZINC000408728074 558592237 /nfs/dbraw/zinc/59/22/37/558592237.db2.gz ZOZADEAWPINPJZ-UHFFFAOYSA-N 0 0 417.512 6.562 40 0 HKABRN Cc1ccc(S(=O)(=O)N=S=c2cc(-c3ccc(C(C)C)cc3)ss2)cc1 ZINC000408729086 557788237 /nfs/dbraw/zinc/78/82/37/557788237.db2.gz ALXRYKOVJIIOSF-UHFFFAOYSA-N 0 0 421.634 6.096 40 0 HKABRN CCOc1ccc(/C=C2/SC(=O)N(CNc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408729217 557788158 /nfs/dbraw/zinc/78/81/58/557788158.db2.gz CXNAVRBXOUJTLP-LICLKQGHSA-N 0 0 422.428 5.210 40 0 HKABRN CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000408729275 557788356 /nfs/dbraw/zinc/78/83/56/557788356.db2.gz YVYQDQHPCLZWIW-FPMFRTRJSA-N 0 0 413.904 5.085 40 0 HKABRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000408729278 558592563 /nfs/dbraw/zinc/59/25/63/558592563.db2.gz YVYQDQHPCLZWIW-PJYWLYPCSA-N 0 0 413.904 5.085 40 0 HKABRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000408729282 558592600 /nfs/dbraw/zinc/59/26/00/558592600.db2.gz YVYQDQHPCLZWIW-URFUVCHWSA-N 0 0 413.904 5.085 40 0 HKABRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c(C)c1 ZINC000408729513 557785162 /nfs/dbraw/zinc/78/51/62/557785162.db2.gz BYVMGMWCGHBMTG-OJKWPBSESA-N 0 0 407.513 5.048 40 0 HKABRN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c(C)c1 ZINC000408729514 558592634 /nfs/dbraw/zinc/59/26/34/558592634.db2.gz BYVMGMWCGHBMTG-QULSYZCUSA-N 0 0 407.513 5.048 40 0 HKABRN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c(C)c1 ZINC000408729515 558592622 /nfs/dbraw/zinc/59/26/22/558592622.db2.gz BYVMGMWCGHBMTG-SIQOOTDXSA-N 0 0 407.513 5.048 40 0 HKABRN CCCc1ccc(-c2cc(=S=NS(=O)(=O)c3ccccc3)ss2)cc1 ZINC000408730866 557793207 /nfs/dbraw/zinc/79/32/07/557793207.db2.gz JQZXSMZGSKMSLR-UHFFFAOYSA-N 0 0 407.607 5.616 40 0 HKABRN O=C(c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1)N1CCCCC1 ZINC000408731022 558591025 /nfs/dbraw/zinc/59/10/25/558591025.db2.gz IKDCOMCQTRLFPJ-UHFFFAOYSA-N 0 0 406.529 6.437 40 0 HKABRN CC(C)COC(=O)c1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 ZINC000408731507 558590987 /nfs/dbraw/zinc/59/09/87/558590987.db2.gz NEIARWBODMOXON-STZFKDTASA-N 0 0 405.494 5.141 40 0 HKABRN O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccc(Br)cc1 ZINC000408731970 558590999 /nfs/dbraw/zinc/59/09/99/558590999.db2.gz NRBVVUINNKJRGN-UKTHLTGXSA-N 0 0 418.699 5.662 40 0 HKABRN CC(C)COC(=O)c1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 ZINC000408732342 557799423 /nfs/dbraw/zinc/79/94/23/557799423.db2.gz UUENSHGSDYKPGQ-NVMNQCDNSA-N 0 0 418.276 5.151 40 0 HKABRN CCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408733431 557797815 /nfs/dbraw/zinc/79/78/15/557797815.db2.gz JEYUWSYOHSBAHM-HSZRJFAPSA-N 0 0 406.913 6.290 40 0 HKABRN CCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408733432 557797822 /nfs/dbraw/zinc/79/78/22/557797822.db2.gz JEYUWSYOHSBAHM-QHCPKHFHSA-N 0 0 406.913 6.290 40 0 HKABRN O=C(Nc1ccccn1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 ZINC000408733543 558594085 /nfs/dbraw/zinc/59/40/85/558594085.db2.gz ZBWYHNFBYUMOTR-UHFFFAOYSA-N 0 0 415.496 6.459 40 0 HKABRN COc1ccc(OC)c(COc2ccc(-c3nc4sc(C)c(C)c4c(=O)[nH]3)cc2)c1 ZINC000408733812 558594310 /nfs/dbraw/zinc/59/43/10/558594310.db2.gz AGVBRILNPNRHBM-UHFFFAOYSA-N 0 0 422.506 5.277 40 0 HKABRN O=c1[nH]c(-c2ccc(OCc3cccc(F)c3)cc2)nc2sc3c(c21)CCCC3 ZINC000408733827 558594203 /nfs/dbraw/zinc/59/42/03/558594203.db2.gz APBNSWKQPXQNQP-UHFFFAOYSA-N 0 0 406.482 5.661 40 0 HKABRN CC(C)COc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c2ccccc12 ZINC000408733861 558594222 /nfs/dbraw/zinc/59/42/22/558594222.db2.gz BLPLJHCEBWVDMS-UHFFFAOYSA-N 0 0 404.535 6.131 40 0 HKABRN O=C1c2ccccc2N[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1 ZINC000408734235 558592789 /nfs/dbraw/zinc/59/27/89/558592789.db2.gz VPEYRYXHFJOBIM-AREMUKBSSA-N 0 0 424.475 6.176 40 0 HKABRN O=C1c2ccccc2N[C@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1 ZINC000408734239 557797825 /nfs/dbraw/zinc/79/78/25/557797825.db2.gz VPEYRYXHFJOBIM-SANMLTNESA-N 0 0 424.475 6.176 40 0 HKABRN CC(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000408734289 558592798 /nfs/dbraw/zinc/59/27/98/558592798.db2.gz WJRLGZWMPIOBOG-JOCHJYFZSA-N 0 0 411.332 6.888 40 0 HKABRN CC(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000408734290 558593005 /nfs/dbraw/zinc/59/30/05/558593005.db2.gz WJRLGZWMPIOBOG-QFIPXVFZSA-N 0 0 411.332 6.888 40 0 HKABRN Cc1sc2[nH]c(-c3cn(Cc4ccc(F)cc4)c4ccccc34)nc(=O)c2c1C ZINC000408734499 558593006 /nfs/dbraw/zinc/59/30/06/558593006.db2.gz HCTORHWMBITRFA-UHFFFAOYSA-N 0 0 403.482 5.823 40 0 HKABRN CCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000408734583 557800891 /nfs/dbraw/zinc/80/08/91/557800891.db2.gz YTCUNJHKUXYDSQ-DEOSSOPVSA-N 0 0 402.494 5.645 40 0 HKABRN CCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000408734584 558593376 /nfs/dbraw/zinc/59/33/76/558593376.db2.gz YTCUNJHKUXYDSQ-XMMPIXPASA-N 0 0 402.494 5.645 40 0 HKABRN CCOc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)c1cnccn1 ZINC000408734625 558593626 /nfs/dbraw/zinc/59/36/26/558593626.db2.gz ABPIBPDFCYYBQF-UHFFFAOYSA-N 0 0 415.565 5.290 40 0 HKABRN CCOc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OCc1cccc(C)c1 ZINC000408734708 558593783 /nfs/dbraw/zinc/59/37/83/558593783.db2.gz IQWIULXPDDOIGU-UHFFFAOYSA-N 0 0 420.534 5.967 40 0 HKABRN CCN(CC)C(=S)Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000408734720 558593804 /nfs/dbraw/zinc/59/38/04/558593804.db2.gz CFZOUEQFESJGSS-UHFFFAOYSA-N 0 0 413.546 5.969 40 0 HKABRN Cc1sc2nc(-c3ccc(OCc4cccc5ccccc54)cc3)[nH]c(=O)c2c1C ZINC000408734731 558593766 /nfs/dbraw/zinc/59/37/66/558593766.db2.gz IXINEQMHHJBNAL-UHFFFAOYSA-N 0 0 412.514 6.413 40 0 HKABRN CCOc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OCc1cccc(F)c1 ZINC000408734754 558593873 /nfs/dbraw/zinc/59/38/73/558593873.db2.gz JDWFYBIWEZJSSN-UHFFFAOYSA-N 0 0 424.497 5.798 40 0 HKABRN COc1ccc(COc2ccc(-c3nc4sc(C)c(C)c4c(=O)[nH]3)cc2OC)cc1 ZINC000408734782 558593867 /nfs/dbraw/zinc/59/38/67/558593867.db2.gz JTFINZJKUYXSDF-UHFFFAOYSA-N 0 0 422.506 5.277 40 0 HKABRN CCOc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OCc1ccccc1 ZINC000408734822 558593841 /nfs/dbraw/zinc/59/38/41/558593841.db2.gz KJHPDROLENAZAK-UHFFFAOYSA-N 0 0 406.507 5.658 40 0 HKABRN O=c1[nH]c(-c2ccc(-c3cccc(Cl)c3Cl)o2)nc2sc3c(c21)CCCC3 ZINC000408734844 558593776 /nfs/dbraw/zinc/59/37/76/558593776.db2.gz KMQSGSGOGMBUFC-UHFFFAOYSA-N 0 0 417.317 6.510 40 0 HKABRN Cc1sc2[nH]c(-c3c(OCc4ccccc4)ccc4ccccc43)nc(=O)c2c1C ZINC000408734853 557800836 /nfs/dbraw/zinc/80/08/36/557800836.db2.gz KPTXYWBMCHUPRV-UHFFFAOYSA-N 0 0 412.514 6.413 40 0 HKABRN CCCCOc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c2ccccc12 ZINC000408735034 558593772 /nfs/dbraw/zinc/59/37/72/558593772.db2.gz MORBPYGFBYEEMN-UHFFFAOYSA-N 0 0 404.535 6.275 40 0 HKABRN COc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OCc1cccc(F)c1 ZINC000408735075 558593833 /nfs/dbraw/zinc/59/38/33/558593833.db2.gz NOXZPUKODWRTAL-UHFFFAOYSA-N 0 0 410.470 5.407 40 0 HKABRN CCN(CC)C(=S)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000408735113 558593860 /nfs/dbraw/zinc/59/38/60/558593860.db2.gz JOLKPIAEQRGWBS-UHFFFAOYSA-N 0 0 412.562 6.002 40 0 HKABRN CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000408735131 558593864 /nfs/dbraw/zinc/59/38/64/558593864.db2.gz JXBHYZXYNOOFBD-FPMFRTRJSA-N 0 0 413.904 5.085 40 0 HKABRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000408735132 558593795 /nfs/dbraw/zinc/59/37/95/558593795.db2.gz JXBHYZXYNOOFBD-PJYWLYPCSA-N 0 0 413.904 5.085 40 0 HKABRN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000408735133 558593889 /nfs/dbraw/zinc/59/38/89/558593889.db2.gz JXBHYZXYNOOFBD-URFUVCHWSA-N 0 0 413.904 5.085 40 0 HKABRN CC1CCN(C(=O)Nc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1 ZINC000408735180 558593830 /nfs/dbraw/zinc/59/38/30/558593830.db2.gz LCSGTUDYLJPDRZ-UHFFFAOYSA-N 0 0 422.532 6.228 40 0 HKABRN O=C(Nc1ccncc1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000408735202 558593892 /nfs/dbraw/zinc/59/38/92/558593892.db2.gz MAVHLRTUOMFMBU-UHFFFAOYSA-N 0 0 417.472 5.425 40 0 HKABRN COc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OCc1cccc(C)c1 ZINC000408735258 558594107 /nfs/dbraw/zinc/59/41/07/558594107.db2.gz PAELYNJTCCFTPK-UHFFFAOYSA-N 0 0 406.507 5.577 40 0 HKABRN O=c1nc(-c2cn(Cc3ccccc3)c3ccccc23)[nH]c2sc3c(c21)CCCC3 ZINC000408735417 558594081 /nfs/dbraw/zinc/59/40/81/558594081.db2.gz RREMLGQWISBNQQ-UHFFFAOYSA-N 0 0 411.530 5.946 40 0 HKABRN S=C(Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCC1 ZINC000408735612 558594091 /nfs/dbraw/zinc/59/40/91/558594091.db2.gz UHGNTPWWPVHLPC-UHFFFAOYSA-N 0 0 411.530 5.723 40 0 HKABRN O=C(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)NC1CCCCC1 ZINC000408735742 558594276 /nfs/dbraw/zinc/59/42/76/558594276.db2.gz WJZGYUQCYHBVNY-UHFFFAOYSA-N 0 0 422.532 6.418 40 0 HKABRN O=C(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCCCC1 ZINC000408735799 558596011 /nfs/dbraw/zinc/59/60/11/558596011.db2.gz WXQAAYJLCFEHMV-UHFFFAOYSA-N 0 0 422.532 6.372 40 0 HKABRN CC(C)(C)NC(=S)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000408735821 558595938 /nfs/dbraw/zinc/59/59/38/558595938.db2.gz XECRMZFMGDHHFD-UHFFFAOYSA-N 0 0 412.562 6.049 40 0 HKABRN COc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OCc1ccc(F)cc1 ZINC000408735830 557802080 /nfs/dbraw/zinc/80/20/80/557802080.db2.gz YEIIEDUUVLVLOQ-UHFFFAOYSA-N 0 0 410.470 5.407 40 0 HKABRN O=c1[nH]c(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2sc3c(c21)CCCC3 ZINC000408735908 558594471 /nfs/dbraw/zinc/59/44/71/558594471.db2.gz ZJBOOCZRNKFODR-UHFFFAOYSA-N 0 0 417.317 6.510 40 0 HKABRN COc1ccc(COc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2)cc1 ZINC000408735956 558594577 /nfs/dbraw/zinc/59/45/77/558594577.db2.gz ZYJNOENIWYJTMJ-UHFFFAOYSA-N 0 0 418.518 5.530 40 0 HKABRN C/C(=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)[N+](=O)[O-] ZINC000408735990 557802026 /nfs/dbraw/zinc/80/20/26/557802026.db2.gz ZJJCJVHBAQZRKD-WTKPLQERSA-N 0 0 407.080 6.517 40 0 HKABRN Cc1ccc(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c(C)c1 ZINC000408737029 558595353 /nfs/dbraw/zinc/59/53/53/558595353.db2.gz LAQPSZVPGSISSV-RUZDIDTESA-N 0 0 414.549 5.215 40 0 HKABRN Cc1ccc(NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c(C)c1 ZINC000408737031 558595357 /nfs/dbraw/zinc/59/53/57/558595357.db2.gz LAQPSZVPGSISSV-VWLOTQADSA-N 0 0 414.549 5.215 40 0 HKABRN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccccc1OCc1ccccc1Cl ZINC000408737406 558595582 /nfs/dbraw/zinc/59/55/82/558595582.db2.gz PCZSDIHOIDRTNS-MOSHPQCFSA-N 0 0 424.283 5.917 40 0 HKABRN COc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccccc1 ZINC000408737452 558595780 /nfs/dbraw/zinc/59/57/80/558595780.db2.gz RBZHFNREAFYFFY-MOSHPQCFSA-N 0 0 419.864 5.272 40 0 HKABRN Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C ZINC000408738685 558598584 /nfs/dbraw/zinc/59/85/84/558598584.db2.gz UWUSQDNFFWEANO-DEOSSOPVSA-N 0 0 414.549 5.215 40 0 HKABRN Cc1cccc(C)c1NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C ZINC000408738686 558598624 /nfs/dbraw/zinc/59/86/24/558598624.db2.gz UWUSQDNFFWEANO-XMMPIXPASA-N 0 0 414.549 5.215 40 0 HKABRN Cc1cc(C)cc(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c1 ZINC000408739102 557804349 /nfs/dbraw/zinc/80/43/49/557804349.db2.gz XLMQDLNEBQTOIM-RUZDIDTESA-N 0 0 414.549 5.215 40 0 HKABRN Cc1cc(C)cc(NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c1 ZINC000408739103 557804345 /nfs/dbraw/zinc/80/43/45/557804345.db2.gz XLMQDLNEBQTOIM-VWLOTQADSA-N 0 0 414.549 5.215 40 0 HKABRN Cc1cccc(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c1C ZINC000408739300 558597762 /nfs/dbraw/zinc/59/77/62/558597762.db2.gz ZKDMRYWWXVADCY-RUZDIDTESA-N 0 0 414.549 5.215 40 0 HKABRN Cc1cccc(NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c1C ZINC000408739302 558597789 /nfs/dbraw/zinc/59/77/89/558597789.db2.gz ZKDMRYWWXVADCY-VWLOTQADSA-N 0 0 414.549 5.215 40 0 HKABRN O=C1NC(=S)NC1=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408739407 558598104 /nfs/dbraw/zinc/59/81/04/558598104.db2.gz BOCYPBJVXBOCHO-JWGURIENSA-N 0 0 421.525 5.157 40 0 HKABRN S=C(c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)N1CCOCC1 ZINC000408739717 558601136 /nfs/dbraw/zinc/60/11/36/558601136.db2.gz DWWNDFWUFIGBHT-UHFFFAOYSA-N 0 0 424.569 5.819 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc3nc(SCc4cccc(F)c4)sc3c2)cc1 ZINC000408748431 558606510 /nfs/dbraw/zinc/60/65/10/558606510.db2.gz AGACYWJHBLJVAV-UHFFFAOYSA-N 0 0 408.523 6.288 40 0 HKABRN Cc1ccccc1C(=O)Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1 ZINC000408748683 558606879 /nfs/dbraw/zinc/60/68/79/558606879.db2.gz BRGPKRFLMAMEHD-UHFFFAOYSA-N 0 0 424.978 6.803 40 0 HKABRN COc1ccc(CSc2nc3ccc(NC(=O)c4ccc(C)cc4)cc3s2)cc1 ZINC000408749326 557813482 /nfs/dbraw/zinc/81/34/82/557813482.db2.gz FSWJVOMKUUBOSS-UHFFFAOYSA-N 0 0 420.559 6.158 40 0 HKABRN Cc1cccc(CSc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@@H]5C4=O)cc3s2)c1 ZINC000408750382 558607881 /nfs/dbraw/zinc/60/78/81/558607881.db2.gz MDWGFXULHADRQG-HDICACEKSA-N 0 0 422.575 5.577 40 0 HKABRN Cc1cccc(CSc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c1 ZINC000408750383 558607791 /nfs/dbraw/zinc/60/77/91/558607791.db2.gz MDWGFXULHADRQG-QZTJIDSGSA-N 0 0 422.575 5.577 40 0 HKABRN Cc1cccc(CSc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c1 ZINC000408750384 557812227 /nfs/dbraw/zinc/81/22/27/557812227.db2.gz MDWGFXULHADRQG-ROUUACIJSA-N 0 0 422.575 5.577 40 0 HKABRN Cc1ccccc1C(=O)Nc1ccc2nc(SCc3cccc(F)c3)sc2c1 ZINC000408750466 558608040 /nfs/dbraw/zinc/60/80/40/558608040.db2.gz NLNAQDNGYAJVLL-UHFFFAOYSA-N 0 0 408.523 6.288 40 0 HKABRN Cc1cccc(CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c1 ZINC000408750536 558608000 /nfs/dbraw/zinc/60/80/00/558608000.db2.gz OPWZKKAUBYCKBV-UHFFFAOYSA-N 0 0 416.527 5.698 40 0 HKABRN Cc1cccc(CSc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)c1 ZINC000408750582 558608030 /nfs/dbraw/zinc/60/80/30/558608030.db2.gz OYZTULIYXNRULE-UHFFFAOYSA-N 0 0 404.560 6.458 40 0 HKABRN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(SCc3ccccc3)sc2c1 ZINC000408750914 558608221 /nfs/dbraw/zinc/60/82/21/558608221.db2.gz UBELPWRFDIGZBR-CALCHBBNSA-N 0 0 408.548 5.268 40 0 HKABRN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3ccccc3)sc2c1 ZINC000408750915 558608245 /nfs/dbraw/zinc/60/82/45/558608245.db2.gz UBELPWRFDIGZBR-IAGOWNOFSA-N 0 0 408.548 5.268 40 0 HKABRN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(SCc3ccccc3)sc2c1 ZINC000408750916 558608270 /nfs/dbraw/zinc/60/82/70/558608270.db2.gz UBELPWRFDIGZBR-IRXDYDNUSA-N 0 0 408.548 5.268 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc3nc(SCc4ccccc4Cl)sc3c2)cc1 ZINC000408751093 557812600 /nfs/dbraw/zinc/81/26/00/557812600.db2.gz WJMRZELOXCNOPB-UHFFFAOYSA-N 0 0 424.978 6.803 40 0 HKABRN Cc1cccc(CSc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c1 ZINC000408751108 558608254 /nfs/dbraw/zinc/60/82/54/558608254.db2.gz WMRAAJISGIKHQY-UHFFFAOYSA-N 0 0 424.978 6.803 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc3nc(SCc4cccc(C)c4)sc3c2)cc1 ZINC000408751174 558608311 /nfs/dbraw/zinc/60/83/11/558608311.db2.gz XJUCIABKSLPUHF-UHFFFAOYSA-N 0 0 404.560 6.458 40 0 HKABRN Cc1cccc(CSc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c1 ZINC000408751201 558608484 /nfs/dbraw/zinc/60/84/84/558608484.db2.gz XRDRCAJUWPLSNI-UHFFFAOYSA-N 0 0 424.978 6.803 40 0 HKABRN COc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)cc1 ZINC000408751251 558608479 /nfs/dbraw/zinc/60/84/79/558608479.db2.gz YHXHFICPDIYSQG-UHFFFAOYSA-N 0 0 420.559 6.158 40 0 HKABRN CCCc1sc(Nc2cccc(Cl)c2Cl)nc1-c1ccc(OC)c(OC)c1 ZINC000408756678 571307442 /nfs/dbraw/zinc/30/74/42/571307442.db2.gz SHXPUXKUWRBDSF-UHFFFAOYSA-N 0 0 423.365 6.830 40 0 HKABRN CCCc1sc(Nc2ccc(Cl)cc2Cl)nc1-c1ccc(OC)c(OC)c1 ZINC000408757158 571307431 /nfs/dbraw/zinc/30/74/31/571307431.db2.gz VBFMCVOQMDSBPM-UHFFFAOYSA-N 0 0 423.365 6.830 40 0 HKABRN CCCc1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccc(OC)c(OC)c1 ZINC000408757500 571307422 /nfs/dbraw/zinc/30/74/22/571307422.db2.gz YPKKMRCTIFSGCM-UHFFFAOYSA-N 0 0 422.472 6.542 40 0 HKABRN N=C1NC(=O)/C(=C/c2c(OC(=O)c3cccc4ccccc43)ccc3ccccc32)S1 ZINC000408758881 558617227 /nfs/dbraw/zinc/61/72/27/558617227.db2.gz TXAXUCXYWIMTBY-HMAPJEAMSA-N 0 0 424.481 5.351 40 0 HKABRN O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000408761614 558618436 /nfs/dbraw/zinc/61/84/36/558618436.db2.gz HELPFVRUIAQPPA-MTJSOVHGSA-N 0 0 424.283 5.917 40 0 HKABRN CCCCCOc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 ZINC000408762619 558619019 /nfs/dbraw/zinc/61/90/19/558619019.db2.gz LLIPLFOIMNSEHN-UYRXBGFRSA-N 0 0 414.299 5.363 40 0 HKABRN CCCCCOc1ccccc1/C=C1\N=C(c2cccc(Br)c2)OC1=O ZINC000408763693 558621760 /nfs/dbraw/zinc/62/17/60/558621760.db2.gz QFJQOEKCOHTOJF-JXAWBTAJSA-N 0 0 414.299 5.363 40 0 HKABRN Cc1cccc(C(=O)Oc2ccc(/C=C3/N=C(c4cccc(Cl)c4)OC3=O)cc2)c1 ZINC000408765170 558624006 /nfs/dbraw/zinc/62/40/06/558624006.db2.gz WYLNSFKHDZOFDG-FYJGNVAPSA-N 0 0 417.848 5.212 40 0 HKABRN Cc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1C ZINC000408766713 558626881 /nfs/dbraw/zinc/62/68/81/558626881.db2.gz FKVGXHVHWVDZFG-RUZDIDTESA-N 0 0 416.546 5.330 40 0 HKABRN Cc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1C ZINC000408766715 558626958 /nfs/dbraw/zinc/62/69/58/558626958.db2.gz FKVGXHVHWVDZFG-VWLOTQADSA-N 0 0 416.546 5.330 40 0 HKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)c(OC)c(Cl)c3)S2)cc1 ZINC000408767054 558626865 /nfs/dbraw/zinc/62/68/65/558626865.db2.gz IDNLBETVHLIMMG-LZOLKVDOSA-N 0 0 409.338 5.164 40 0 HKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)c(OC)c(Cl)c3)S2)cc1 ZINC000408767058 558626950 /nfs/dbraw/zinc/62/69/50/558626950.db2.gz IDNLBETVHLIMMG-NXIIHZOPSA-N 0 0 409.338 5.164 40 0 HKABRN CCc1ccc(N[C@@H]2NC(=O)C(=Cc3ccc(-c4cccc(C(C)=O)c4)o3)S2)cc1 ZINC000408767553 558627052 /nfs/dbraw/zinc/62/70/52/558627052.db2.gz MMEHQAUOKDSHKK-IGSWSUAKSA-N 0 0 418.518 5.311 40 0 HKABRN CCc1ccc(N[C@H]2NC(=O)C(=Cc3ccc(-c4cccc(C(C)=O)c4)o3)S2)cc1 ZINC000408767554 558627066 /nfs/dbraw/zinc/62/70/66/558627066.db2.gz MMEHQAUOKDSHKK-YMSBRDKKSA-N 0 0 418.518 5.311 40 0 HKABRN CCOc1ccc2ccccc2c1/C=C1\S[C@H](Nc2ccc(CC)cc2)NC1=O ZINC000408768342 558629197 /nfs/dbraw/zinc/62/91/97/558629197.db2.gz WIUFHGNSLRXIRN-DLBLZJNESA-N 0 0 404.535 5.401 40 0 HKABRN CCOc1ccc2ccccc2c1/C=C1\S[C@@H](Nc2ccc(CC)cc2)NC1=O ZINC000408768345 558629227 /nfs/dbraw/zinc/62/92/27/558629227.db2.gz WIUFHGNSLRXIRN-FCKOQQNDSA-N 0 0 404.535 5.401 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(CSCc2ccccc2)cc1 ZINC000408770842 560638675 /nfs/dbraw/zinc/63/86/75/560638675.db2.gz BDQSLPVPOHPNOU-UHFFFAOYSA-N 0 0 402.346 6.679 40 0 HKABRN CCc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408771005 558631633 /nfs/dbraw/zinc/63/16/33/558631633.db2.gz CASXYGNWKXNMTL-RUZDIDTESA-N 0 0 416.546 5.276 40 0 HKABRN CCc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408771008 558631618 /nfs/dbraw/zinc/63/16/18/558631618.db2.gz CASXYGNWKXNMTL-VWLOTQADSA-N 0 0 416.546 5.276 40 0 HKABRN COc1ccc(OC)c(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 ZINC000408771556 560638835 /nfs/dbraw/zinc/63/88/35/560638835.db2.gz JERCEYDERBTVAB-UHFFFAOYSA-N 0 0 413.926 5.902 40 0 HKABRN O=C(Nc1ccccc1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408772053 560639144 /nfs/dbraw/zinc/63/91/44/560639144.db2.gz AIBGXEWBINWNEN-HSZRJFAPSA-N 0 0 422.937 5.367 40 0 HKABRN O=C(Nc1ccccc1Cl)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408772056 560639177 /nfs/dbraw/zinc/63/91/77/560639177.db2.gz AIBGXEWBINWNEN-QHCPKHFHSA-N 0 0 422.937 5.367 40 0 HKABRN O=C(CSCc1ccccc1Br)Nc1cccc(C(F)(F)F)c1 ZINC000408772562 560639226 /nfs/dbraw/zinc/63/92/26/560639226.db2.gz NCMBXMVYMGOVGU-UHFFFAOYSA-N 0 0 404.251 5.340 40 0 HKABRN O=C(Nc1ccccc1Br)c1ccc(CSCc2ccccc2)cc1 ZINC000408772731 560639281 /nfs/dbraw/zinc/63/92/81/560639281.db2.gz MVLCFKHJMQCFNI-UHFFFAOYSA-N 0 0 412.352 6.135 40 0 HKABRN Cc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000408773288 560639248 /nfs/dbraw/zinc/63/92/48/560639248.db2.gz USRYZNJMOALLBY-DEOSSOPVSA-N 0 0 402.519 5.022 40 0 HKABRN Cc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000408773291 560639234 /nfs/dbraw/zinc/63/92/34/560639234.db2.gz USRYZNJMOALLBY-XMMPIXPASA-N 0 0 402.519 5.022 40 0 HKABRN CCOc1ccc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)c2ccccc12 ZINC000408773622 560639365 /nfs/dbraw/zinc/63/93/65/560639365.db2.gz SALPDYPJBUKXKF-DLBLZJNESA-N 0 0 404.535 5.401 40 0 HKABRN CCOc1ccc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)c2ccccc12 ZINC000408773624 560639362 /nfs/dbraw/zinc/63/93/62/560639362.db2.gz SALPDYPJBUKXKF-FCKOQQNDSA-N 0 0 404.535 5.401 40 0 HKABRN O=C(CSCc1cccc(Br)c1)Nc1ccc(Br)cc1 ZINC000408774870 560639443 /nfs/dbraw/zinc/63/94/43/560639443.db2.gz DHWHCVMEHHLVEN-UHFFFAOYSA-N 0 0 415.150 5.084 40 0 HKABRN O=C(CSCc1ccccc1Br)Nc1ccc(Br)cc1 ZINC000408774880 560639488 /nfs/dbraw/zinc/63/94/88/560639488.db2.gz RCHQAWDUNPCTIA-UHFFFAOYSA-N 0 0 415.150 5.084 40 0 HKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)cc1 ZINC000408775342 560639493 /nfs/dbraw/zinc/63/94/93/560639493.db2.gz PMOOXRXTNXDYTH-VLOXRPPESA-N 0 0 410.926 5.762 40 0 HKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)cc1 ZINC000408775344 558633324 /nfs/dbraw/zinc/63/33/24/558633324.db2.gz PMOOXRXTNXDYTH-WLJFKGHSSA-N 0 0 410.926 5.762 40 0 HKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)S2)cc1 ZINC000408775548 560639484 /nfs/dbraw/zinc/63/94/84/560639484.db2.gz IEAGIKMNWKHWNL-VLOXRPPESA-N 0 0 410.926 5.762 40 0 HKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)S2)cc1 ZINC000408775549 558633293 /nfs/dbraw/zinc/63/32/93/558633293.db2.gz IEAGIKMNWKHWNL-WLJFKGHSSA-N 0 0 410.926 5.762 40 0 HKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000408775784 558633473 /nfs/dbraw/zinc/63/34/73/558633473.db2.gz JSRIAABOSFOJNV-UHFFFAOYSA-N 0 0 421.871 6.903 40 0 HKABRN O=C(CSCc1cccc(Br)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000408776023 560639069 /nfs/dbraw/zinc/63/90/69/560639069.db2.gz MIWGVPJREFXADO-UHFFFAOYSA-N 0 0 405.144 5.628 40 0 HKABRN O=C1NC(=O)C(=Cc2cn(CCSc3ccc(Cl)cc3)c3ccccc23)S1 ZINC000408776787 560639178 /nfs/dbraw/zinc/63/91/78/560639178.db2.gz QSLFQRUQWMGULA-WOJGMQOQSA-N 0 0 414.939 5.411 40 0 HKABRN O=C(c1ccc(CSc2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000408778410 558635727 /nfs/dbraw/zinc/63/57/27/558635727.db2.gz FROIWLZQYSUKQG-UHFFFAOYSA-N 0 0 423.581 6.822 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000408778509 558635880 /nfs/dbraw/zinc/63/58/80/558635880.db2.gz GPHRVUWPYPSZTH-RUZDIDTESA-N 0 0 416.546 5.330 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000408778511 560640818 /nfs/dbraw/zinc/64/08/18/560640818.db2.gz GPHRVUWPYPSZTH-VWLOTQADSA-N 0 0 416.546 5.330 40 0 HKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CSCc2ccccc2)cc1 ZINC000408778799 560640765 /nfs/dbraw/zinc/64/07/65/560640765.db2.gz KZZPFCOPATYDLK-UHFFFAOYSA-N 0 0 401.453 6.391 40 0 HKABRN O=C(CSCc1ccccc1Br)Nc1cccc(Br)c1 ZINC000408779047 558635973 /nfs/dbraw/zinc/63/59/73/558635973.db2.gz PTFSTAPELDTEMB-UHFFFAOYSA-N 0 0 415.150 5.084 40 0 HKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)S2)cc1 ZINC000408779460 560640918 /nfs/dbraw/zinc/64/09/18/560640918.db2.gz FCHWYQCWXWRUGD-QCHPHUCNSA-N 0 0 424.953 6.070 40 0 HKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)S2)cc1 ZINC000408779461 558635999 /nfs/dbraw/zinc/63/59/99/558635999.db2.gz FCHWYQCWXWRUGD-VZIOXZNFSA-N 0 0 424.953 6.070 40 0 HKABRN Cc1cc(C)cc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000408779914 558636169 /nfs/dbraw/zinc/63/61/69/558636169.db2.gz NNOJYJXXPDFQTK-RUZDIDTESA-N 0 0 416.546 5.330 40 0 HKABRN Cc1cc(C)cc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000408779915 560640912 /nfs/dbraw/zinc/64/09/12/560640912.db2.gz NNOJYJXXPDFQTK-VWLOTQADSA-N 0 0 416.546 5.330 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408780113 560640935 /nfs/dbraw/zinc/64/09/35/560640935.db2.gz SKWPGHDBTFYHKI-HSZRJFAPSA-N 0 0 422.937 5.367 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408780114 560640932 /nfs/dbraw/zinc/64/09/32/560640932.db2.gz SKWPGHDBTFYHKI-QHCPKHFHSA-N 0 0 422.937 5.367 40 0 HKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)S2)cc1 ZINC000408780226 558636104 /nfs/dbraw/zinc/63/61/04/558636104.db2.gz VTUDTBFKVAGYEB-DLBLZJNESA-N 0 0 409.599 5.772 40 0 HKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)S2)cc1 ZINC000408780227 558636177 /nfs/dbraw/zinc/63/61/77/558636177.db2.gz VTUDTBFKVAGYEB-FCKOQQNDSA-N 0 0 409.599 5.772 40 0 HKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)cc1 ZINC000408780894 560641028 /nfs/dbraw/zinc/64/10/28/560641028.db2.gz MSYZQQDANZOUPI-QKSFETHESA-N 0 0 416.546 5.428 40 0 HKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)cc1 ZINC000408780895 558639137 /nfs/dbraw/zinc/63/91/37/558639137.db2.gz MSYZQQDANZOUPI-ZDQFFALBSA-N 0 0 416.546 5.428 40 0 HKABRN O=C(Nc1cccc(Cl)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408781191 560640777 /nfs/dbraw/zinc/64/07/77/560640777.db2.gz ALGXBTTZLHDHBJ-HSZRJFAPSA-N 0 0 422.937 5.367 40 0 HKABRN O=C(Nc1cccc(Cl)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408781195 560640816 /nfs/dbraw/zinc/64/08/16/560640816.db2.gz ALGXBTTZLHDHBJ-QHCPKHFHSA-N 0 0 422.937 5.367 40 0 HKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S2)cc1 ZINC000408781268 558637481 /nfs/dbraw/zinc/63/74/81/558637481.db2.gz BCKWTSDAIZXUSU-FOOJEKODSA-N 0 0 402.519 5.641 40 0 HKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S2)cc1 ZINC000408781271 558637519 /nfs/dbraw/zinc/63/75/19/558637519.db2.gz BCKWTSDAIZXUSU-FVIVVMBBSA-N 0 0 402.519 5.641 40 0 HKABRN O=C(Nc1ccc(Br)cc1)c1ccc(CSCc2ccccc2)cc1 ZINC000408782587 560641116 /nfs/dbraw/zinc/64/11/16/560641116.db2.gz KQZGXKLKRDHJSH-UHFFFAOYSA-N 0 0 412.352 6.135 40 0 HKABRN CCOc1c(Cl)cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1Cl ZINC000408783071 558639656 /nfs/dbraw/zinc/63/96/56/558639656.db2.gz JSGRNWIUWPGMOS-OWMRDYPQSA-N 0 0 423.365 5.554 40 0 HKABRN CCOc1c(Cl)cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1Cl ZINC000408783072 560641236 /nfs/dbraw/zinc/64/12/36/560641236.db2.gz JSGRNWIUWPGMOS-ZZODWALSSA-N 0 0 423.365 5.554 40 0 HKABRN O=C(CSCc1ccccc1Br)Nc1cc(Cl)cc(Cl)c1 ZINC000408784131 558640000 /nfs/dbraw/zinc/64/00/00/558640000.db2.gz SZUSYNPPDKKSCQ-UHFFFAOYSA-N 0 0 405.144 5.628 40 0 HKABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3OCc3ccccc3)S2)cc1 ZINC000408785216 558640181 /nfs/dbraw/zinc/64/01/81/558640181.db2.gz UWERPUPUSWWDIU-QKSFETHESA-N 0 0 416.546 5.428 40 0 HKABRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3OCc3ccccc3)S2)cc1 ZINC000408785217 558640138 /nfs/dbraw/zinc/64/01/38/558640138.db2.gz UWERPUPUSWWDIU-ZDQFFALBSA-N 0 0 416.546 5.428 40 0 HKABRN CCOC(=O)c1ccccc1NC(=O)c1ccc(CSCc2ccccc2)cc1 ZINC000408786122 558640158 /nfs/dbraw/zinc/64/01/58/558640158.db2.gz MNFOBANKDIFLRJ-UHFFFAOYSA-N 0 0 405.519 5.549 40 0 HKABRN CCc1ccc(N[C@@H]2NC(=O)C(=Cc3ccc(-c4ccc(C(C)=O)cc4)o3)S2)cc1 ZINC000408786191 560641609 /nfs/dbraw/zinc/64/16/09/560641609.db2.gz GQEIWRKUJFDWRI-IGSWSUAKSA-N 0 0 418.518 5.311 40 0 HKABRN CCc1ccc(N[C@H]2NC(=O)C(=Cc3ccc(-c4ccc(C(C)=O)cc4)o3)S2)cc1 ZINC000408786192 558640190 /nfs/dbraw/zinc/64/01/90/558640190.db2.gz GQEIWRKUJFDWRI-YMSBRDKKSA-N 0 0 418.518 5.311 40 0 HKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000408790245 560641591 /nfs/dbraw/zinc/64/15/91/560641591.db2.gz OGIDSHWKLAXVGH-UHFFFAOYSA-N 0 0 411.526 7.024 40 0 HKABRN COc1cc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)ccc1OC(C)C ZINC000408797128 558642308 /nfs/dbraw/zinc/64/23/08/558642308.db2.gz BJIYQZNIDDMKHP-UHFFFAOYSA-N 0 0 417.938 5.207 40 0 HKABRN COc1cc(C)c(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)cc1C(C)C ZINC000408797146 558642289 /nfs/dbraw/zinc/64/22/89/558642289.db2.gz GJFHOZDORMJFQQ-UHFFFAOYSA-N 0 0 415.966 5.852 40 0 HKABRN COc1cc(C)c(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)cc1C(C)C ZINC000408798502 560642068 /nfs/dbraw/zinc/64/20/68/560642068.db2.gz FRERBZIYBOVUKO-UHFFFAOYSA-N 0 0 415.966 5.852 40 0 HKABRN Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccc(OCC(C)C)cc2)S1 ZINC000408799648 558643645 /nfs/dbraw/zinc/64/36/45/558643645.db2.gz HGPDWHPVEBPIIX-UHFFFAOYSA-N 0 0 401.939 5.446 40 0 HKABRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1Nc1ccccc1 ZINC000408800091 558643855 /nfs/dbraw/zinc/64/38/55/558643855.db2.gz KJNSRCQVHRGALU-AWKYKOFISA-N 0 0 411.978 6.394 40 0 HKABRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1Nc1ccccc1 ZINC000408800092 558643865 /nfs/dbraw/zinc/64/38/65/558643865.db2.gz KJNSRCQVHRGALU-CABAHIPWSA-N 0 0 411.978 6.394 40 0 HKABRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1Nc1ccccc1 ZINC000408800093 558644051 /nfs/dbraw/zinc/64/40/51/558644051.db2.gz KJNSRCQVHRGALU-CVMPDPLCSA-N 0 0 411.978 6.394 40 0 HKABRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1Nc1ccccc1 ZINC000408800094 558644202 /nfs/dbraw/zinc/64/42/02/558644202.db2.gz KJNSRCQVHRGALU-YLXKOEIFSA-N 0 0 411.978 6.394 40 0 HKABRN CCOc1ccccc1/C=C1\SC(Nc2ccccc2)N([C@H]2CCCC[C@@H]2C)C1=O ZINC000408800202 560642179 /nfs/dbraw/zinc/64/21/79/560642179.db2.gz NRXTYYAVCSNIPX-BCLRBPHWSA-N 0 0 421.586 6.139 40 0 HKABRN CCOc1ccccc1/C=C1\SC(Nc2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O ZINC000408800203 560642167 /nfs/dbraw/zinc/64/21/67/560642167.db2.gz NRXTYYAVCSNIPX-HUYCDOSRSA-N 0 0 421.586 6.139 40 0 HKABRN CCOc1ccccc1/C=C1\SC(Nc2ccccc2)N([C@@H]2CCCC[C@@H]2C)C1=O ZINC000408800204 558644106 /nfs/dbraw/zinc/64/41/06/558644106.db2.gz NRXTYYAVCSNIPX-UXJZJMJTSA-N 0 0 421.586 6.139 40 0 HKABRN CCOc1ccccc1/C=C1\SC(Nc2ccccc2)N([C@H]2CCCC[C@H]2C)C1=O ZINC000408800205 558644193 /nfs/dbraw/zinc/64/41/93/558644193.db2.gz NRXTYYAVCSNIPX-WXIYXWPHSA-N 0 0 421.586 6.139 40 0 HKABRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1Nc1ccccc1 ZINC000408800953 558644719 /nfs/dbraw/zinc/64/47/19/558644719.db2.gz QLCXKCKXRWDYAN-KDNRWNGDSA-N 0 0 421.542 5.469 40 0 HKABRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1Nc1ccccc1 ZINC000408800954 558644770 /nfs/dbraw/zinc/64/47/70/558644770.db2.gz QLCXKCKXRWDYAN-LMZUZTJHSA-N 0 0 421.542 5.469 40 0 HKABRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1Nc1ccccc1 ZINC000408800955 558644730 /nfs/dbraw/zinc/64/47/30/558644730.db2.gz QLCXKCKXRWDYAN-NSIZPICVSA-N 0 0 421.542 5.469 40 0 HKABRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1Nc1ccccc1 ZINC000408800956 560642325 /nfs/dbraw/zinc/64/23/25/560642325.db2.gz QLCXKCKXRWDYAN-RJBWCCSZSA-N 0 0 421.542 5.469 40 0 HKABRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2Cl)SC1Nc1ccccc1 ZINC000408801370 560642447 /nfs/dbraw/zinc/64/24/47/560642447.db2.gz AHOCJSIWSYVHOA-AWKYKOFISA-N 0 0 411.978 6.394 40 0 HKABRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccccc2Cl)SC1Nc1ccccc1 ZINC000408801371 558642983 /nfs/dbraw/zinc/64/29/83/558642983.db2.gz AHOCJSIWSYVHOA-CABAHIPWSA-N 0 0 411.978 6.394 40 0 HKABRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2Cl)SC1Nc1ccccc1 ZINC000408801372 560642479 /nfs/dbraw/zinc/64/24/79/560642479.db2.gz AHOCJSIWSYVHOA-CVMPDPLCSA-N 0 0 411.978 6.394 40 0 HKABRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccccc2Cl)SC1Nc1ccccc1 ZINC000408801373 560642464 /nfs/dbraw/zinc/64/24/64/560642464.db2.gz AHOCJSIWSYVHOA-YLXKOEIFSA-N 0 0 411.978 6.394 40 0 HKABRN O=C1NC(Nc2ccccc2F)S/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408801623 560642457 /nfs/dbraw/zinc/64/24/57/560642457.db2.gz WLNBBUGRDLIOEG-UHFFFAOYSA-N 0 0 423.464 5.307 40 0 HKABRN COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c(C)c1 ZINC000408801829 558642940 /nfs/dbraw/zinc/64/29/40/558642940.db2.gz CDILKEJTTJTOPI-BQCZXRGHSA-N 0 0 421.586 6.058 40 0 HKABRN COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c(C)c1 ZINC000408801830 560642523 /nfs/dbraw/zinc/64/25/23/560642523.db2.gz CDILKEJTTJTOPI-CWCOAMRFSA-N 0 0 421.586 6.058 40 0 HKABRN COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c(C)c1 ZINC000408801831 560642548 /nfs/dbraw/zinc/64/25/48/560642548.db2.gz CDILKEJTTJTOPI-MTBBSATLSA-N 0 0 421.586 6.058 40 0 HKABRN COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c(C)c1 ZINC000408801832 558642935 /nfs/dbraw/zinc/64/29/35/558642935.db2.gz CDILKEJTTJTOPI-QHJSVCQMSA-N 0 0 421.586 6.058 40 0 HKABRN CC(C)COc1ccc(/C=C2\SC(Nc3ccccc3F)NC2=O)c2ccccc12 ZINC000408802087 560642051 /nfs/dbraw/zinc/64/20/51/560642051.db2.gz CUSMBFFNFPQLGD-UHFFFAOYSA-N 0 0 421.517 5.777 40 0 HKABRN Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2cccc(Br)c2)S1 ZINC000408802104 560642288 /nfs/dbraw/zinc/64/22/88/560642288.db2.gz DAHWPDJFUPULOV-UHFFFAOYSA-N 0 0 408.728 5.174 40 0 HKABRN CCOc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)cc1OCC ZINC000408802280 558642968 /nfs/dbraw/zinc/64/29/68/558642968.db2.gz XYALPYNUSHGIJL-UHFFFAOYSA-N 0 0 417.938 5.209 40 0 HKABRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)S1 ZINC000408802621 558643210 /nfs/dbraw/zinc/64/32/10/558643210.db2.gz ZLIDPUVSUCDQDN-UHFFFAOYSA-N 0 0 414.510 5.401 40 0 HKABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(OCC(C)C)cc2)S1 ZINC000408802996 560642794 /nfs/dbraw/zinc/64/27/94/560642794.db2.gz KDJPYRTWIBYIJA-UHFFFAOYSA-N 0 0 417.938 5.146 40 0 HKABRN CCCCOc1ccc(/C=C2\SC(Nc3ccccc3F)NC2=O)c2ccccc12 ZINC000408803048 558643421 /nfs/dbraw/zinc/64/34/21/558643421.db2.gz KRIVYDWUDUJQCY-UHFFFAOYSA-N 0 0 421.517 5.921 40 0 HKABRN COc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)c2ccccc12 ZINC000408803358 558644953 /nfs/dbraw/zinc/64/49/53/558644953.db2.gz NYAWEKYKXGIKGK-UHFFFAOYSA-N 0 0 409.918 5.573 40 0 HKABRN COc1ccccc1/C=C1\SC(Nc2ccccc2)N([C@H]2CCCC[C@@H]2C)C1=O ZINC000408803560 560643006 /nfs/dbraw/zinc/64/30/06/560643006.db2.gz QNPWAGRBPLSHRU-DQJFTVIJSA-N 0 0 407.559 5.749 40 0 HKABRN COc1ccccc1/C=C1\SC(Nc2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O ZINC000408803561 560643000 /nfs/dbraw/zinc/64/30/00/560643000.db2.gz QNPWAGRBPLSHRU-IFFKVGTPSA-N 0 0 407.559 5.749 40 0 HKABRN COc1ccccc1/C=C1\SC(Nc2ccccc2)N([C@H]2CCCC[C@H]2C)C1=O ZINC000408803562 558646383 /nfs/dbraw/zinc/64/63/83/558646383.db2.gz QNPWAGRBPLSHRU-PPMVFUOKSA-N 0 0 407.559 5.749 40 0 HKABRN COc1ccccc1/C=C1\SC(Nc2ccccc2)N([C@@H]2CCCC[C@@H]2C)C1=O ZINC000408803563 560642992 /nfs/dbraw/zinc/64/29/92/560642992.db2.gz QNPWAGRBPLSHRU-RRDYPLETSA-N 0 0 407.559 5.749 40 0 HKABRN CCOc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)ccc1OCC(C)C ZINC000408803646 558646728 /nfs/dbraw/zinc/64/67/28/558646728.db2.gz ROWFTWQLDJGCNJ-UHFFFAOYSA-N 0 0 415.510 5.022 40 0 HKABRN CCOc1cc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)cc(Cl)c1O ZINC000408804200 558644886 /nfs/dbraw/zinc/64/48/86/558644886.db2.gz DBMFNSMXPDQSHN-UHFFFAOYSA-N 0 0 424.329 5.169 40 0 HKABRN CCCOc1ccc2ccccc2c1/C=C1\SC(Nc2ccccc2F)NC1=O ZINC000408804208 560643083 /nfs/dbraw/zinc/64/30/83/560643083.db2.gz DEMPCFPCFVQYSD-UHFFFAOYSA-N 0 0 407.490 5.531 40 0 HKABRN O=C1NC(Nc2ccccc2F)S/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000408804487 558645107 /nfs/dbraw/zinc/64/51/07/558645107.db2.gz AKDWWSDPQAVWNP-UHFFFAOYSA-N 0 0 405.474 5.168 40 0 HKABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2cccc(Cl)c2Cl)S1 ZINC000408804736 560643235 /nfs/dbraw/zinc/64/32/35/560643235.db2.gz HACCJYNDPYLPIX-UHFFFAOYSA-N 0 0 414.721 5.418 40 0 HKABRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/C=C/c2ccccc2)SC1Nc1ccccc1 ZINC000408804986 560643257 /nfs/dbraw/zinc/64/32/57/560643257.db2.gz IDKMPERIGZFGSB-BEMXJYLTSA-N 0 0 403.571 6.297 40 0 HKABRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/C=C/c2ccccc2)SC1Nc1ccccc1 ZINC000408804987 558645180 /nfs/dbraw/zinc/64/51/80/558645180.db2.gz IDKMPERIGZFGSB-OAIAWWSRSA-N 0 0 403.571 6.297 40 0 HKABRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/C=C/c2ccccc2)SC1Nc1ccccc1 ZINC000408804988 558645103 /nfs/dbraw/zinc/64/51/03/558645103.db2.gz IDKMPERIGZFGSB-OBAWDWOASA-N 0 0 403.571 6.297 40 0 HKABRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/C=C/c2ccccc2)SC1Nc1ccccc1 ZINC000408804989 558645112 /nfs/dbraw/zinc/64/51/12/558645112.db2.gz IDKMPERIGZFGSB-SAMUQXIJSA-N 0 0 403.571 6.297 40 0 HKABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S1 ZINC000408805033 558645157 /nfs/dbraw/zinc/64/51/57/558645157.db2.gz CLIKTBAMQWWRAH-UHFFFAOYSA-N 0 0 401.939 5.409 40 0 HKABRN Cc1cccc(COc2ccc(/C=C3\SC(Nc4ccccc4F)NC3=O)cc2)c1 ZINC000408806084 558645350 /nfs/dbraw/zinc/64/53/50/558645350.db2.gz APJONNGMTNBHTG-UHFFFAOYSA-N 0 0 419.501 5.476 40 0 HKABRN COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408806377 560642546 /nfs/dbraw/zinc/64/25/46/560642546.db2.gz AORWZRONPDIYET-MFOYZWKCSA-N 0 0 424.305 5.247 40 0 HKABRN Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)S1 ZINC000408806496 558645410 /nfs/dbraw/zinc/64/54/10/558645410.db2.gz JKOIRJBOGBDYDW-UHFFFAOYSA-N 0 0 418.929 6.046 40 0 HKABRN COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408806699 558645445 /nfs/dbraw/zinc/64/54/45/558645445.db2.gz BLJIRLWLFIEKPJ-FEQQAMHBSA-N 0 0 407.559 5.749 40 0 HKABRN COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408806701 558645454 /nfs/dbraw/zinc/64/54/54/558645454.db2.gz BLJIRLWLFIEKPJ-FUZNGBCKSA-N 0 0 407.559 5.749 40 0 HKABRN COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408806702 558645404 /nfs/dbraw/zinc/64/54/04/558645404.db2.gz BLJIRLWLFIEKPJ-OPNIWQPMSA-N 0 0 407.559 5.749 40 0 HKABRN COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408806703 560642730 /nfs/dbraw/zinc/64/27/30/560642730.db2.gz BLJIRLWLFIEKPJ-QZAGLCHTSA-N 0 0 407.559 5.749 40 0 HKABRN COc1cc(Cl)c(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)cc1OC ZINC000408807062 560642678 /nfs/dbraw/zinc/64/26/78/560642678.db2.gz KAIHQRRYRWJZQC-UHFFFAOYSA-N 0 0 424.329 5.082 40 0 HKABRN CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C1=O ZINC000408807569 558645780 /nfs/dbraw/zinc/64/57/80/558645780.db2.gz CRVSDOJETMMDCF-NVNXTCNLSA-N 0 0 412.269 5.378 40 0 HKABRN Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2cccc(Br)c2)S1 ZINC000408807827 560643615 /nfs/dbraw/zinc/64/36/15/560643615.db2.gz OYRFFVNEHGLICD-UHFFFAOYSA-N 0 0 408.728 5.174 40 0 HKABRN COc1cc(Cl)c(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)cc1OC ZINC000408807885 558645932 /nfs/dbraw/zinc/64/59/32/558645932.db2.gz IFYWDSUCDVPAFE-UHFFFAOYSA-N 0 0 424.329 5.082 40 0 HKABRN CCOc1ccc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)cc1OCC ZINC000408807942 558645948 /nfs/dbraw/zinc/64/59/48/558645948.db2.gz IKLNGYNZRFVLFG-UHFFFAOYSA-N 0 0 417.938 5.209 40 0 HKABRN CC1=CC(/C=C2\SC(=O)N(C)C2=O)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000408808118 560643600 /nfs/dbraw/zinc/64/36/00/560643600.db2.gz DHMLHRYVUMQZDX-SINAZASISA-N 0 0 417.530 5.835 40 0 HKABRN CC1=CC(/C=C2\SC(=O)N(C)C2=O)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000408808119 560643632 /nfs/dbraw/zinc/64/36/32/560643632.db2.gz DHMLHRYVUMQZDX-XUKJQLKWSA-N 0 0 417.530 5.835 40 0 HKABRN CCOc1cccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1 ZINC000408808179 558646141 /nfs/dbraw/zinc/64/61/41/558646141.db2.gz DZMUMMOCRFKLJJ-GXEQYHJJSA-N 0 0 421.586 6.139 40 0 HKABRN CCOc1cccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c1 ZINC000408808182 558646193 /nfs/dbraw/zinc/64/61/93/558646193.db2.gz DZMUMMOCRFKLJJ-QMJJWYKPSA-N 0 0 421.586 6.139 40 0 HKABRN CCOc1cccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c1 ZINC000408808187 558646163 /nfs/dbraw/zinc/64/61/63/558646163.db2.gz DZMUMMOCRFKLJJ-XDQGBWCSSA-N 0 0 421.586 6.139 40 0 HKABRN CCOc1cccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c1 ZINC000408808189 558646153 /nfs/dbraw/zinc/64/61/53/558646153.db2.gz DZMUMMOCRFKLJJ-ZUZVBVLKSA-N 0 0 421.586 6.139 40 0 HKABRN Cc1ccc(COc2ccc(/C=C3\SC(=O)N(C)C3=O)cc2Br)cc1 ZINC000408808273 558646405 /nfs/dbraw/zinc/64/64/05/558646405.db2.gz DTTGGTZYNJPPGK-YVLHZVERSA-N 0 0 418.312 5.003 40 0 HKABRN COc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408808340 558648364 /nfs/dbraw/zinc/64/83/64/558648364.db2.gz FAOROZADXVQJDF-ZROIWOOFSA-N 0 0 424.703 5.352 40 0 HKABRN CCOc1cc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)cc(Cl)c1O ZINC000408808523 558648451 /nfs/dbraw/zinc/64/84/51/558648451.db2.gz MIHJOPPMKKHYHQ-UHFFFAOYSA-N 0 0 424.329 5.169 40 0 HKABRN Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccc(Br)cc2)S1 ZINC000408808596 560643759 /nfs/dbraw/zinc/64/37/59/560643759.db2.gz JPEYITPBQUBLIH-UHFFFAOYSA-N 0 0 408.728 5.174 40 0 HKABRN COc1cccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1O ZINC000408808704 560643770 /nfs/dbraw/zinc/64/37/70/560643770.db2.gz NANSQRITAZRGOU-HIKCKZAASA-N 0 0 423.558 5.455 40 0 HKABRN COc1cccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c1O ZINC000408808707 560643774 /nfs/dbraw/zinc/64/37/74/560643774.db2.gz NANSQRITAZRGOU-HKYVQSIISA-N 0 0 423.558 5.455 40 0 HKABRN COc1cccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c1O ZINC000408808708 560643749 /nfs/dbraw/zinc/64/37/49/560643749.db2.gz NANSQRITAZRGOU-LWWHVIEISA-N 0 0 423.558 5.455 40 0 HKABRN COc1cccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c1O ZINC000408808709 560643761 /nfs/dbraw/zinc/64/37/61/560643761.db2.gz NANSQRITAZRGOU-UYOBMNBSSA-N 0 0 423.558 5.455 40 0 HKABRN CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O ZINC000408808711 568540466 /nfs/dbraw/zinc/54/04/66/568540466.db2.gz FHOJOZZZNLIGCI-NVNXTCNLSA-N 0 0 412.269 5.378 40 0 HKABRN CCOc1ccc(Cl)cc1/C=C1\SC(Nc2cc(Cl)ccc2C)NC1=O ZINC000408810187 560643881 /nfs/dbraw/zinc/64/38/81/560643881.db2.gz KCOHYRLTONGGPH-UHFFFAOYSA-N 0 0 408.330 5.464 40 0 HKABRN CN1C(=O)S/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O ZINC000408810427 558647459 /nfs/dbraw/zinc/64/74/59/558647459.db2.gz IXLVMHUWCDDDNT-NVMNQCDNSA-N 0 0 417.317 5.663 40 0 HKABRN Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(OCC(C)C)cc2)S1 ZINC000408810555 558647402 /nfs/dbraw/zinc/64/74/02/558647402.db2.gz UDMGZEIAVUTRHD-UHFFFAOYSA-N 0 0 401.939 5.446 40 0 HKABRN COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408811224 560644112 /nfs/dbraw/zinc/64/41/12/560644112.db2.gz AAMFGJXDLITILA-BKUYFWCQSA-N 0 0 405.475 5.094 40 0 HKABRN COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408811338 558647615 /nfs/dbraw/zinc/64/76/15/558647615.db2.gz LCJXJEQIFPQNBX-SXGWCWSVSA-N 0 0 424.305 5.247 40 0 HKABRN COc1cc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)ccc1OC(C)C ZINC000408811412 560644064 /nfs/dbraw/zinc/64/40/64/560644064.db2.gz LHFUUGUTXJBCKS-UHFFFAOYSA-N 0 0 417.938 5.207 40 0 HKABRN Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)S1 ZINC000408811561 558647992 /nfs/dbraw/zinc/64/79/92/558647992.db2.gz KKOUGNWDDNLSTK-UHFFFAOYSA-N 0 0 418.929 6.046 40 0 HKABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408811591 560644093 /nfs/dbraw/zinc/64/40/93/560644093.db2.gz LQZAVZNEPMGSFC-YVLHZVERSA-N 0 0 421.877 5.123 40 0 HKABRN Cc1cccc(COc2ccc(Br)cc2/C=C2\SC(=O)N(C)C2=O)c1 ZINC000408811691 560644055 /nfs/dbraw/zinc/64/40/55/560644055.db2.gz AIFNMLSVRCYCBH-YVLHZVERSA-N 0 0 418.312 5.003 40 0 HKABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408812054 560644237 /nfs/dbraw/zinc/64/42/37/560644237.db2.gz NKCUDZATVCNYBO-YVLHZVERSA-N 0 0 421.877 5.123 40 0 HKABRN Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S1 ZINC000408812285 560644241 /nfs/dbraw/zinc/64/42/41/560644241.db2.gz SCWAILQESILCFV-UHFFFAOYSA-N 0 0 413.881 5.811 40 0 HKABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408812450 560644238 /nfs/dbraw/zinc/64/42/38/560644238.db2.gz MYPDYPXWVWTOMW-WQRHYEAKSA-N 0 0 417.914 5.292 40 0 HKABRN COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408812471 560644242 /nfs/dbraw/zinc/64/42/42/560644242.db2.gz OUXSZLFGIBAUBK-SXGWCWSVSA-N 0 0 424.305 5.247 40 0 HKABRN O=C1S/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1c1ccccc1 ZINC000408812475 558649213 /nfs/dbraw/zinc/64/92/13/558649213.db2.gz MZRRXWNICPWPNI-STZFKDTASA-N 0 0 405.450 5.646 40 0 HKABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1 ZINC000408812562 560644232 /nfs/dbraw/zinc/64/42/32/560644232.db2.gz SRJRAONWJWYZHV-UHFFFAOYSA-N 0 0 414.721 5.418 40 0 HKABRN O=C1NC(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)S1 ZINC000408812569 558649439 /nfs/dbraw/zinc/64/94/39/558649439.db2.gz NKDRRBNSZVWGGO-HAVVHWLPSA-N 0 0 422.509 6.135 40 0 HKABRN COc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1C ZINC000408812579 560644224 /nfs/dbraw/zinc/64/42/24/560644224.db2.gz PCLQLAGOCCAFFK-GZABKKFDSA-N 0 0 421.586 6.058 40 0 HKABRN COc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)ccc1C ZINC000408812584 560644240 /nfs/dbraw/zinc/64/42/40/560644240.db2.gz PCLQLAGOCCAFFK-JUCCXITFSA-N 0 0 421.586 6.058 40 0 HKABRN COc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)ccc1C ZINC000408812594 558649368 /nfs/dbraw/zinc/64/93/68/558649368.db2.gz PCLQLAGOCCAFFK-PDMLIXRGSA-N 0 0 421.586 6.058 40 0 HKABRN COc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)ccc1C ZINC000408812601 558649421 /nfs/dbraw/zinc/64/94/21/558649421.db2.gz PCLQLAGOCCAFFK-XSXPQHRMSA-N 0 0 421.586 6.058 40 0 HKABRN Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S1 ZINC000408812707 558649379 /nfs/dbraw/zinc/64/93/79/558649379.db2.gz SZOUZYXUARLRNO-UHFFFAOYSA-N 0 0 413.881 5.811 40 0 HKABRN CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC ZINC000408812737 560644293 /nfs/dbraw/zinc/64/42/93/560644293.db2.gz NSVJNTNXDDLQCO-ATVHPVEESA-N 0 0 403.887 5.378 40 0 HKABRN COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1C ZINC000408812894 558648610 /nfs/dbraw/zinc/64/86/10/558648610.db2.gz PVAZTHCAWVJYSJ-GZABKKFDSA-N 0 0 421.586 6.058 40 0 HKABRN COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1C ZINC000408812899 558648614 /nfs/dbraw/zinc/64/86/14/558648614.db2.gz PVAZTHCAWVJYSJ-JUCCXITFSA-N 0 0 421.586 6.058 40 0 HKABRN COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1C ZINC000408812903 558648664 /nfs/dbraw/zinc/64/86/64/558648664.db2.gz PVAZTHCAWVJYSJ-PDMLIXRGSA-N 0 0 421.586 6.058 40 0 HKABRN COc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1C ZINC000408812910 560643531 /nfs/dbraw/zinc/64/35/31/560643531.db2.gz PVAZTHCAWVJYSJ-XSXPQHRMSA-N 0 0 421.586 6.058 40 0 HKABRN O=C1S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1c1ccccc1 ZINC000408812925 560643537 /nfs/dbraw/zinc/64/35/37/560643537.db2.gz CCMVAHPBAJQECH-STZFKDTASA-N 0 0 421.905 6.160 40 0 HKABRN COc1ccc2ccccc2c1/C=C1\SC(Nc2ccc(Cl)cc2C)NC1=O ZINC000408812963 560643549 /nfs/dbraw/zinc/64/35/49/560643549.db2.gz QAAWXHGBJHNIPK-UHFFFAOYSA-N 0 0 409.918 5.573 40 0 HKABRN COC(=O)c1cccc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)c1C ZINC000408813037 558648680 /nfs/dbraw/zinc/64/86/80/558648680.db2.gz DGLVFKUMPJACMT-MOSHPQCFSA-N 0 0 419.458 5.283 40 0 HKABRN CCOc1ccc2ccccc2c1/C=C1\SC(Nc2cc(Cl)ccc2C)NC1=O ZINC000408813483 560644196 /nfs/dbraw/zinc/64/41/96/560644196.db2.gz QMEQQXQLDKUVBZ-UHFFFAOYSA-N 0 0 423.945 5.963 40 0 HKABRN CCOc1ccc2ccccc2c1/C=C1\SC(Nc2cc(C)ccc2OC)NC1=O ZINC000408813491 560644914 /nfs/dbraw/zinc/64/49/14/560644914.db2.gz OCJNFNVLWUZQKE-UHFFFAOYSA-N 0 0 419.526 5.319 40 0 HKABRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S1 ZINC000408813725 560644927 /nfs/dbraw/zinc/64/49/27/560644927.db2.gz NWAZVANGTSEVII-UHFFFAOYSA-N 0 0 409.462 5.166 40 0 HKABRN O=C1OC(c2ccccc2)=N/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000408813904 560645003 /nfs/dbraw/zinc/64/50/03/560645003.db2.gz FVVBLNRMCFPQMS-HYARGMPZSA-N 0 0 412.876 5.688 40 0 HKABRN COc1ccc2ccccc2c1/C=C1\SC(Nc2cc(Cl)ccc2C)NC1=O ZINC000408814267 560645034 /nfs/dbraw/zinc/64/50/34/560645034.db2.gz OTIHRINKDQZYRY-UHFFFAOYSA-N 0 0 409.918 5.573 40 0 HKABRN CCOc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408814667 558649877 /nfs/dbraw/zinc/64/98/77/558649877.db2.gz PXIGGLFFQDTSOM-GXEQYHJJSA-N 0 0 421.586 6.139 40 0 HKABRN CCOc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408814671 558649926 /nfs/dbraw/zinc/64/99/26/558649926.db2.gz PXIGGLFFQDTSOM-QMJJWYKPSA-N 0 0 421.586 6.139 40 0 HKABRN CCOc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408814676 558649940 /nfs/dbraw/zinc/64/99/40/558649940.db2.gz PXIGGLFFQDTSOM-XDQGBWCSSA-N 0 0 421.586 6.139 40 0 HKABRN CCOc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408814678 558649917 /nfs/dbraw/zinc/64/99/17/558649917.db2.gz PXIGGLFFQDTSOM-ZUZVBVLKSA-N 0 0 421.586 6.139 40 0 HKABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408814881 558650409 /nfs/dbraw/zinc/65/04/09/558650409.db2.gz GQJMCUUWRDAVNO-HMAPJEAMSA-N 0 0 419.502 5.484 40 0 HKABRN CCOc1ccc2ccccc2c1/C=C1\SC(Nc2ccc(Cl)cc2C)NC1=O ZINC000408814916 560645174 /nfs/dbraw/zinc/64/51/74/560645174.db2.gz SPTRUFKITIAYKM-UHFFFAOYSA-N 0 0 423.945 5.963 40 0 HKABRN CCOc1ccc(Cl)cc1/C=C1\SC(Nc2ccc(Cl)cc2C)NC1=O ZINC000408814950 560645158 /nfs/dbraw/zinc/64/51/58/560645158.db2.gz SPSUCZGPGAIZNJ-UHFFFAOYSA-N 0 0 408.330 5.464 40 0 HKABRN COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408814953 558649890 /nfs/dbraw/zinc/64/98/90/558649890.db2.gz QUHRRRYEFCFUSM-IUXPMGMMSA-N 0 0 424.305 5.247 40 0 HKABRN O=C1OC(c2ccccc2)=N/C1=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000408815119 560645134 /nfs/dbraw/zinc/64/51/34/560645134.db2.gz RQHTZBILHVZFQF-DEDYPNTBSA-N 0 0 424.283 5.917 40 0 HKABRN O=C1NC(Nc2ccccc2F)S/C1=C\c1ccc(OCc2cccc(F)c2)cc1 ZINC000408815271 560644307 /nfs/dbraw/zinc/64/43/07/560644307.db2.gz PWDXGMBKKUVIMV-UHFFFAOYSA-N 0 0 423.464 5.307 40 0 HKABRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)S1 ZINC000408815670 558651454 /nfs/dbraw/zinc/65/14/54/558651454.db2.gz XTUAKMJYKOVMKH-UHFFFAOYSA-N 0 0 411.547 5.207 40 0 HKABRN CCOc1ccc(Cl)cc1/C=C1\SC(Nc2cc(Cl)ccc2OC)NC1=O ZINC000408815846 560644450 /nfs/dbraw/zinc/64/44/50/560644450.db2.gz VGWMFPAQNYTPPJ-UHFFFAOYSA-N 0 0 424.329 5.164 40 0 HKABRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1Nc1ccccc1 ZINC000408816038 560644393 /nfs/dbraw/zinc/64/43/93/560644393.db2.gz QSDCPDIGMHWPCR-CTTJRONWSA-N 0 0 416.570 6.222 40 0 HKABRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1Nc1ccccc1 ZINC000408816041 560644454 /nfs/dbraw/zinc/64/44/54/560644454.db2.gz QSDCPDIGMHWPCR-GCVNGYBQSA-N 0 0 416.570 6.222 40 0 HKABRN COC(=O)c1ccc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)c(C)c1 ZINC000408816042 558651132 /nfs/dbraw/zinc/65/11/32/558651132.db2.gz KGWNTLIKRBUNEZ-MOSHPQCFSA-N 0 0 419.458 5.283 40 0 HKABRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1Nc1ccccc1 ZINC000408816044 560644444 /nfs/dbraw/zinc/64/44/44/560644444.db2.gz QSDCPDIGMHWPCR-ITIHZHGDSA-N 0 0 416.570 6.222 40 0 HKABRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1Nc1ccccc1 ZINC000408816047 560644404 /nfs/dbraw/zinc/64/44/04/560644404.db2.gz QSDCPDIGMHWPCR-NVQGRZSYSA-N 0 0 416.570 6.222 40 0 HKABRN Cc1cccc(COc2ccc(/C=C3\SC(=O)N(C)C3=O)cc2Br)c1 ZINC000408816154 560644395 /nfs/dbraw/zinc/64/43/95/560644395.db2.gz KRQKVMQTGMGIJF-YVLHZVERSA-N 0 0 418.312 5.003 40 0 HKABRN O=C1S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1c1ccccc1 ZINC000408816200 558652861 /nfs/dbraw/zinc/65/28/61/558652861.db2.gz KWSNFBDTAAWQBA-STZFKDTASA-N 0 0 421.905 6.160 40 0 HKABRN CN1C(=O)S/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O ZINC000408816283 560644412 /nfs/dbraw/zinc/64/44/12/560644412.db2.gz LCSJZVYWUIZTTN-LSCVHKIXSA-N 0 0 417.317 5.663 40 0 HKABRN CCOc1ccc(/C=C2\SC(Nc3cc(C)ccc3OC)NC2=O)c2ccccc12 ZINC000408816325 560644442 /nfs/dbraw/zinc/64/44/42/560644442.db2.gz TYPPTZRQHNRURL-UHFFFAOYSA-N 0 0 419.526 5.319 40 0 HKABRN COc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)ccc1O ZINC000408816425 560644562 /nfs/dbraw/zinc/64/45/62/560644562.db2.gz YRMPRZJNMFESQP-BYMGZZSFSA-N 0 0 423.558 5.455 40 0 HKABRN COc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1O ZINC000408816427 560644548 /nfs/dbraw/zinc/64/45/48/560644548.db2.gz YRMPRZJNMFESQP-JEHIIPDMSA-N 0 0 423.558 5.455 40 0 HKABRN COc1ccc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)c2ccccc12 ZINC000408816653 558651908 /nfs/dbraw/zinc/65/19/08/558651908.db2.gz RYRPRHHOWLHXPI-UHFFFAOYSA-N 0 0 409.918 5.573 40 0 HKABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408817016 560644542 /nfs/dbraw/zinc/64/45/42/560644542.db2.gz KMAHDHRYYIUUSA-WQRHYEAKSA-N 0 0 417.914 5.292 40 0 HKABRN Cc1ccc(COc2ccc(Br)cc2/C=C2\SC(=O)N(C)C2=O)cc1 ZINC000408817032 560644510 /nfs/dbraw/zinc/64/45/10/560644510.db2.gz MQKIJEUAENPUFU-YVLHZVERSA-N 0 0 418.312 5.003 40 0 HKABRN COc1cccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c1 ZINC000408817034 558652259 /nfs/dbraw/zinc/65/22/59/558652259.db2.gz STNQUFDRXFNWFT-FEQQAMHBSA-N 0 0 407.559 5.749 40 0 HKABRN COc1cccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c1 ZINC000408817039 560644544 /nfs/dbraw/zinc/64/45/44/560644544.db2.gz STNQUFDRXFNWFT-FUZNGBCKSA-N 0 0 407.559 5.749 40 0 HKABRN COc1cccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1 ZINC000408817045 558652274 /nfs/dbraw/zinc/65/22/74/558652274.db2.gz STNQUFDRXFNWFT-OPNIWQPMSA-N 0 0 407.559 5.749 40 0 HKABRN COc1cccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c1 ZINC000408817050 558652250 /nfs/dbraw/zinc/65/22/50/558652250.db2.gz STNQUFDRXFNWFT-QZAGLCHTSA-N 0 0 407.559 5.749 40 0 HKABRN Cc1ccc(COc2c(Cl)cc(/C=C3\SC(=O)N(C)C3=O)cc2Cl)cc1 ZINC000408817206 558652616 /nfs/dbraw/zinc/65/26/16/558652616.db2.gz MVWSBKWIAOOWNI-SXGWCWSVSA-N 0 0 408.306 5.547 40 0 HKABRN COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408817449 558652938 /nfs/dbraw/zinc/65/29/38/558652938.db2.gz WIBVUAQPLLHLKK-BKUYFWCQSA-N 0 0 405.475 5.094 40 0 HKABRN CC(C)c1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408817470 558653221 /nfs/dbraw/zinc/65/32/21/558653221.db2.gz VSYSPDGKNMVMKX-IOSRVKNLSA-N 0 0 419.614 6.864 40 0 HKABRN CC(C)c1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408817480 560644687 /nfs/dbraw/zinc/64/46/87/560644687.db2.gz VSYSPDGKNMVMKX-IPOZWTLPSA-N 0 0 419.614 6.864 40 0 HKABRN CC(C)c1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408817485 560644717 /nfs/dbraw/zinc/64/47/17/560644717.db2.gz VSYSPDGKNMVMKX-KQXXUEMGSA-N 0 0 419.614 6.864 40 0 HKABRN CC(C)c1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408817490 558653205 /nfs/dbraw/zinc/65/32/05/558653205.db2.gz VSYSPDGKNMVMKX-RBHHSZPYSA-N 0 0 419.614 6.864 40 0 HKABRN Cc1cccc(COc2c(Cl)cc(/C=C3\SC(=O)N(C)C3=O)cc2Cl)c1 ZINC000408817517 558653202 /nfs/dbraw/zinc/65/32/02/558653202.db2.gz WMDAUOMKMYQLNQ-SXGWCWSVSA-N 0 0 408.306 5.547 40 0 HKABRN Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408817585 560644698 /nfs/dbraw/zinc/64/46/98/560644698.db2.gz NOVZTSZNVDWXMO-OUKQBFOZSA-N 0 0 421.522 5.534 40 0 HKABRN CCOc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)c2ccccc12 ZINC000408818346 560644777 /nfs/dbraw/zinc/64/47/77/560644777.db2.gz XQUOLHXIQBOFOS-UHFFFAOYSA-N 0 0 423.945 5.963 40 0 HKABRN Cc1ccc(COc2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc2)cc1 ZINC000408818811 558652945 /nfs/dbraw/zinc/65/29/45/558652945.db2.gz QRGKPLHMUJOSGL-JCMHNJIXSA-N 0 0 401.487 5.815 40 0 HKABRN Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(Br)cc2)S1 ZINC000408819061 558653819 /nfs/dbraw/zinc/65/38/19/558653819.db2.gz WNMWGGWZVOIRJC-UHFFFAOYSA-N 0 0 408.728 5.174 40 0 HKABRN CCOc1ccc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)c2ccccc12 ZINC000408819476 558654265 /nfs/dbraw/zinc/65/42/65/558654265.db2.gz YXLYHXJOFIQRAX-UHFFFAOYSA-N 0 0 423.945 5.963 40 0 HKABRN O=C1NC(Nc2ccccc2F)S/C1=C\c1ccccc1OCc1ccccc1 ZINC000408819486 560645171 /nfs/dbraw/zinc/64/51/71/560645171.db2.gz YYSMSKOXZXKHNG-UHFFFAOYSA-N 0 0 405.474 5.168 40 0 HKABRN COC(=O)c1ccc(C)c(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)c1 ZINC000408819696 560645426 /nfs/dbraw/zinc/64/54/26/560645426.db2.gz RGKPHDWADQMCLV-MOSHPQCFSA-N 0 0 419.458 5.283 40 0 HKABRN Cc1cccc(Cn2cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c3ccccc32)c1 ZINC000408819727 558654498 /nfs/dbraw/zinc/65/44/98/558654498.db2.gz SRCRKDDBPKMIPU-IWIPYMOSSA-N 0 0 424.525 6.239 40 0 HKABRN O=C1S/C(=C\c2ccccc2OCc2cccc(F)c2)C(=O)N1c1ccccc1 ZINC000408820171 558654510 /nfs/dbraw/zinc/65/45/10/558654510.db2.gz VURUGJXDEWJDHN-STZFKDTASA-N 0 0 405.450 5.646 40 0 HKABRN Cc1cccc(COc2ccccc2/C=C2\SC(=O)N(c3ccccc3)C2=O)c1 ZINC000408820341 558655089 /nfs/dbraw/zinc/65/50/89/558655089.db2.gz WYGPJWWUNZMPDW-JCMHNJIXSA-N 0 0 401.487 5.815 40 0 HKABRN Cc1ccc(COc2ccccc2/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000408820350 560645390 /nfs/dbraw/zinc/64/53/90/560645390.db2.gz XBOSVAZXAXUIJA-JCMHNJIXSA-N 0 0 401.487 5.815 40 0 HKABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408820443 560645466 /nfs/dbraw/zinc/64/54/66/560645466.db2.gz WCJZSPYSOQOQIT-HMAPJEAMSA-N 0 0 419.502 5.484 40 0 HKABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408820475 558655250 /nfs/dbraw/zinc/65/52/50/558655250.db2.gz WKHIKSQXCRLIRJ-YVLHZVERSA-N 0 0 421.877 5.123 40 0 HKABRN CCOc1cc(/C=C2/N=C(C)OC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408820603 560645472 /nfs/dbraw/zinc/64/54/72/560645472.db2.gz XEZIBZIVRJYDSM-RQZCQDPDSA-N 0 0 406.265 5.287 40 0 HKABRN CCCc1sc(NC(=O)c2cccc(C)c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000408820958 560645516 /nfs/dbraw/zinc/64/55/16/560645516.db2.gz AWCASQXYHQMTLX-UHFFFAOYSA-N 0 0 405.350 6.630 40 0 HKABRN Cc1ccc(-c2sc(NC(=O)c3ccc(Cl)cc3)nc2-c2ccccc2)cc1 ZINC000408821067 558655751 /nfs/dbraw/zinc/65/57/51/558655751.db2.gz BYKMHIFIPSBPAJ-UHFFFAOYSA-N 0 0 404.922 6.691 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccc(Cl)cc1Cl ZINC000408821422 560645478 /nfs/dbraw/zinc/64/54/78/560645478.db2.gz HDJZMQGGRXQYQP-UHFFFAOYSA-N 0 0 409.313 6.461 40 0 HKABRN CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000408821616 558656784 /nfs/dbraw/zinc/65/67/84/558656784.db2.gz JKWCCKHILRAJDF-NVNXTCNLSA-N 0 0 412.269 5.378 40 0 HKABRN CCCc1sc(NC(=O)c2ccccc2Cl)nc1-c1cc(OC)cc(OC)c1 ZINC000408821716 560645613 /nfs/dbraw/zinc/64/56/13/560645613.db2.gz AJMAWWIEWGJLPF-UHFFFAOYSA-N 0 0 416.930 5.686 40 0 HKABRN O=C(CCC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000408821797 558656782 /nfs/dbraw/zinc/65/67/82/558656782.db2.gz KHQKUQZTHUCJSZ-UHFFFAOYSA-N 0 0 414.288 6.387 40 0 HKABRN Cc1ccc(N2Cc3cc4c(cc3C2)CN(c2ccc(C)c(Cl)c2)C4)cc1Cl ZINC000408821979 558657117 /nfs/dbraw/zinc/65/71/17/558657117.db2.gz BFDQSCRMUJUMEA-UHFFFAOYSA-N 0 0 409.360 6.651 40 0 HKABRN COc1ccc(-c2sc(NC(=O)c3cccc(Cl)c3)nc2-c2ccccc2)cc1 ZINC000408822352 558656623 /nfs/dbraw/zinc/65/66/23/558656623.db2.gz LTJQKFPEJHIIBT-UHFFFAOYSA-N 0 0 420.921 6.391 40 0 HKABRN O=C(CCC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(Br)cc1 ZINC000408822447 560645179 /nfs/dbraw/zinc/64/51/79/560645179.db2.gz BVRXTMARYFLANM-UHFFFAOYSA-N 0 0 424.294 5.843 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccc(C)c(C)c1 ZINC000408822490 558657649 /nfs/dbraw/zinc/65/76/49/558657649.db2.gz AXUWVKQKCDRZAH-UHFFFAOYSA-N 0 0 419.377 6.939 40 0 HKABRN CCCc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccc(OC)c(OC)c1 ZINC000408822549 558657737 /nfs/dbraw/zinc/65/77/37/558657737.db2.gz CDWHNVLAVGUHLB-UHFFFAOYSA-N 0 0 400.475 5.171 40 0 HKABRN Cc1ccc(-c2sc(NC(=O)c3cccc(F)c3)nc2-c2ccccc2)cc1C ZINC000408822606 560645160 /nfs/dbraw/zinc/64/51/60/560645160.db2.gz BJPOJXBVBCVZNG-UHFFFAOYSA-N 0 0 402.494 6.485 40 0 HKABRN O=C(Oc1csc(=S)n1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000408822740 560645229 /nfs/dbraw/zinc/64/52/29/560645229.db2.gz UYBBXWWIMBHMHA-UHFFFAOYSA-N 0 0 410.303 5.494 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1cc(C)ccc1C ZINC000408823007 560645242 /nfs/dbraw/zinc/64/52/42/560645242.db2.gz DCARSMSMAAELQN-UHFFFAOYSA-N 0 0 419.377 6.939 40 0 HKABRN CCCc1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc1-c1ccccc1 ZINC000408823109 560645238 /nfs/dbraw/zinc/64/52/38/560645238.db2.gz CPGCVPHIWHKNKR-UHFFFAOYSA-N 0 0 412.511 5.041 40 0 HKABRN COc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C)c(OC)c1 ZINC000408823606 560645252 /nfs/dbraw/zinc/64/52/52/560645252.db2.gz FLPZIKYCEZZEEU-UHFFFAOYSA-N 0 0 423.321 5.695 40 0 HKABRN COc1ccc(-c2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2C)c(OC)c1 ZINC000408823911 558658143 /nfs/dbraw/zinc/65/81/43/558658143.db2.gz GWEIYIASRFTBDJ-UHFFFAOYSA-N 0 0 412.555 5.291 40 0 HKABRN COc1ccc(-c2sc(NC(=O)c3ccc(C)cc3)nc2-c2ccccc2)cc1 ZINC000408823916 558658161 /nfs/dbraw/zinc/65/81/61/558658161.db2.gz GWLDLCVWPIKUHA-UHFFFAOYSA-N 0 0 400.503 6.046 40 0 HKABRN Cc1c(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000408824004 558658385 /nfs/dbraw/zinc/65/83/85/558658385.db2.gz OYTYWZAQTSMYJD-JLPGSUDCSA-N 0 0 424.525 6.239 40 0 HKABRN COc1ccc(-c2sc(NC(=O)c3ccc(Cl)cc3)nc2-c2ccccc2)cc1 ZINC000408824124 558659176 /nfs/dbraw/zinc/65/91/76/558659176.db2.gz PNQJTLLWMIDMLN-UHFFFAOYSA-N 0 0 420.921 6.391 40 0 HKABRN COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(OC)cc3)s2)cc1 ZINC000408824250 560645224 /nfs/dbraw/zinc/64/52/24/560645224.db2.gz GLOVMVKLQKVAKC-UHFFFAOYSA-N 0 0 416.502 5.747 40 0 HKABRN CCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccc(C)c(C)c1 ZINC000408824308 560645232 /nfs/dbraw/zinc/64/52/32/560645232.db2.gz HWKJQSBUGDNABD-UHFFFAOYSA-N 0 0 408.611 6.534 40 0 HKABRN Cc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccc(Cl)cc1Cl ZINC000408824387 558659619 /nfs/dbraw/zinc/65/96/19/558659619.db2.gz HJPCTSKAQFQFEZ-UHFFFAOYSA-N 0 0 421.393 6.580 40 0 HKABRN CCCc1sc(NC(=O)c2cccc(C)c2)nc1-c1ccc(Cl)cc1Cl ZINC000408824450 558659665 /nfs/dbraw/zinc/65/96/65/558659665.db2.gz HRNDAEGHUNPDRW-UHFFFAOYSA-N 0 0 405.350 6.630 40 0 HKABRN CCCc1sc(NC(=O)c2cccc(F)c2)nc1-c1cc(OC)ccc1OC ZINC000408824501 560645652 /nfs/dbraw/zinc/64/56/52/560645652.db2.gz HWQLQOUARWPISK-UHFFFAOYSA-N 0 0 400.475 5.171 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(OC)cc2)nc1-c1ccc(OC)c(OC)c1 ZINC000408824558 558659673 /nfs/dbraw/zinc/65/96/73/558659673.db2.gz QZBFUADPEFBTDJ-UHFFFAOYSA-N 0 0 412.511 5.041 40 0 HKABRN CCCc1sc(NC(=O)c2ccccc2Cl)nc1-c1cc(OC)ccc1OC ZINC000408824599 558659951 /nfs/dbraw/zinc/65/99/51/558659951.db2.gz IJQVMLXQQZKGCQ-UHFFFAOYSA-N 0 0 416.930 5.686 40 0 HKABRN CCCc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc(OC)c(OC)c1 ZINC000408825140 560645618 /nfs/dbraw/zinc/64/56/18/560645618.db2.gz JITDREPZNWFXRR-UHFFFAOYSA-N 0 0 416.930 5.686 40 0 HKABRN COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Br ZINC000408825284 560645656 /nfs/dbraw/zinc/64/56/56/560645656.db2.gz RVJKLDDKTBWEFL-UHFFFAOYSA-N 0 0 423.719 5.487 40 0 HKABRN CCCc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccc(OCC)cc1 ZINC000408825303 560645616 /nfs/dbraw/zinc/64/56/16/560645616.db2.gz BCQBIKNFRVBVCX-UHFFFAOYSA-N 0 0 400.931 6.067 40 0 HKABRN CCCc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc(C)cc1 ZINC000408825377 560645719 /nfs/dbraw/zinc/64/57/19/560645719.db2.gz JQPKXYWZXFRZOM-UHFFFAOYSA-N 0 0 415.356 6.086 40 0 HKABRN Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 ZINC000408825635 560645725 /nfs/dbraw/zinc/64/57/25/560645725.db2.gz IUAZMIMRHUJGSM-UHFFFAOYSA-N 0 0 404.922 6.691 40 0 HKABRN COc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccc(C)c(C)c2)s1 ZINC000408825875 560645620 /nfs/dbraw/zinc/64/56/20/560645620.db2.gz JWUHLHIEGQBGMY-UHFFFAOYSA-N 0 0 414.530 6.355 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc(OCC)cc1 ZINC000408825901 560645640 /nfs/dbraw/zinc/64/56/40/560645640.db2.gz RYYWPAGKHBAGLD-UHFFFAOYSA-N 0 0 400.931 6.067 40 0 HKABRN CCCc1sc(NC(=O)c2ccccc2OC)nc1-c1ccc(Cl)cc1Cl ZINC000408826326 560645643 /nfs/dbraw/zinc/64/56/43/560645643.db2.gz LGQXKRCHNCUTQY-UHFFFAOYSA-N 0 0 421.349 6.330 40 0 HKABRN CCCc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccc(OC)c(OC)c1 ZINC000408826344 560645645 /nfs/dbraw/zinc/64/56/45/560645645.db2.gz JENVBYVKYYSEEV-UHFFFAOYSA-N 0 0 416.930 5.686 40 0 HKABRN O=C(CCC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000408827232 560645653 /nfs/dbraw/zinc/64/56/53/560645653.db2.gz KMWXFGLNDGIEHX-UHFFFAOYSA-N 0 0 413.395 6.099 40 0 HKABRN COc1ccc(-c2sc(NC(=O)c3ccccc3Cl)nc2-c2ccccc2)cc1 ZINC000408827606 558663420 /nfs/dbraw/zinc/66/34/20/558663420.db2.gz LLTKJRQOIQEWKD-UHFFFAOYSA-N 0 0 420.921 6.391 40 0 HKABRN CCCc1sc(NC(=O)c2ccccc2OC)nc1-c1cc(OC)cc(OC)c1 ZINC000408827776 560645604 /nfs/dbraw/zinc/64/56/04/560645604.db2.gz MQPBITFYGSQSKW-UHFFFAOYSA-N 0 0 412.511 5.041 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000408827777 558663376 /nfs/dbraw/zinc/66/33/76/558663376.db2.gz MGWCYPJGWJHVFI-UHFFFAOYSA-N 0 0 405.350 6.630 40 0 HKABRN CCCc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccc(Cl)cc1Cl ZINC000408827803 560645636 /nfs/dbraw/zinc/64/56/36/560645636.db2.gz KUSUCXWABVBBCZ-UHFFFAOYSA-N 0 0 409.313 6.461 40 0 HKABRN COc1ccc(-c2sc(NC(=O)c3cccc(C)c3)nc2-c2ccccc2)cc1 ZINC000408828142 560645647 /nfs/dbraw/zinc/64/56/47/560645647.db2.gz VUQDMQCGKIGELM-UHFFFAOYSA-N 0 0 400.503 6.046 40 0 HKABRN CCCc1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccc(C)cc1 ZINC000408828925 560645727 /nfs/dbraw/zinc/64/57/27/560645727.db2.gz OFFVRUYOZSDEMV-UHFFFAOYSA-N 0 0 415.356 6.086 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1cc(OC)cc(OC)c1 ZINC000408829012 558663702 /nfs/dbraw/zinc/66/37/02/558663702.db2.gz OIOHCAYBYZXNIU-UHFFFAOYSA-N 0 0 416.930 5.686 40 0 HKABRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1cccc(F)c1 ZINC000408829388 558663892 /nfs/dbraw/zinc/66/38/92/558663892.db2.gz FRYBOJKEIJIWCC-UHFFFAOYSA-N 0 0 408.885 6.522 40 0 HKABRN O=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccccc1 ZINC000408829683 558664102 /nfs/dbraw/zinc/66/41/02/558664102.db2.gz XHVZQWMXSWYMKP-HAHDFKILSA-N 0 0 410.498 5.931 40 0 HKABRN COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(C)c(C)c3)s2)cc1 ZINC000408829816 560645704 /nfs/dbraw/zinc/64/57/04/560645704.db2.gz XLUAVQFIENVNIS-UHFFFAOYSA-N 0 0 414.530 6.355 40 0 HKABRN CCCc1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1-c1ccccc1 ZINC000408829927 558664348 /nfs/dbraw/zinc/66/43/48/558664348.db2.gz XTHGUDJXFDCEKE-UHFFFAOYSA-N 0 0 412.558 6.533 40 0 HKABRN Cc1ccc(-c2sc(NC(=O)c3ccccc3Cl)nc2-c2ccccc2)cc1C ZINC000408830020 558664460 /nfs/dbraw/zinc/66/44/60/558664460.db2.gz NMRQUUMBPVZBGU-UHFFFAOYSA-N 0 0 418.949 7.000 40 0 HKABRN CCCc1sc(NC(=O)c2ccccc2OC)nc1-c1ccc(OC)c(OC)c1 ZINC000408830028 558664511 /nfs/dbraw/zinc/66/45/11/558664511.db2.gz XYAWXJRKDKQXJL-UHFFFAOYSA-N 0 0 412.511 5.041 40 0 HKABRN COc1ccc(OC)c(-c2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C)c1 ZINC000408830233 560645691 /nfs/dbraw/zinc/64/56/91/560645691.db2.gz OXJKRTNRIHLAFL-UHFFFAOYSA-N 0 0 423.321 5.695 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(OC)cc2)nc1-c1cc(OC)ccc1OC ZINC000408830371 560645724 /nfs/dbraw/zinc/64/57/24/560645724.db2.gz PJPRGGQHPPZNCA-UHFFFAOYSA-N 0 0 412.511 5.041 40 0 HKABRN CCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccc(OC)cc1 ZINC000408830484 558664189 /nfs/dbraw/zinc/66/41/89/558664189.db2.gz OJTNXWCTVDFCBP-UHFFFAOYSA-N 0 0 410.583 5.926 40 0 HKABRN CCCc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000408830612 560645669 /nfs/dbraw/zinc/64/56/69/560645669.db2.gz YSSIDRGKJWWTDQ-UHFFFAOYSA-N 0 0 409.313 6.461 40 0 HKABRN Cc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccc(Cl)c(Cl)c1 ZINC000408830710 558664774 /nfs/dbraw/zinc/66/47/74/558664774.db2.gz PTRBXFBDYMUCCG-UHFFFAOYSA-N 0 0 421.393 6.580 40 0 HKABRN CCCc1sc(NC(=O)c2ccccc2OC)nc1-c1cc(OC)ccc1OC ZINC000408830839 560645665 /nfs/dbraw/zinc/64/56/65/560645665.db2.gz PYLJSXVVTSACAB-UHFFFAOYSA-N 0 0 412.511 5.041 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccc(OC)cc1 ZINC000408830894 558664681 /nfs/dbraw/zinc/66/46/81/558664681.db2.gz GPBJDBOEJMGJBZ-UHFFFAOYSA-N 0 0 421.349 6.330 40 0 HKABRN O=C(CCC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408831180 558664700 /nfs/dbraw/zinc/66/47/00/558664700.db2.gz OWCKZYQQAOAFQF-UHFFFAOYSA-N 0 0 401.087 5.358 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccc(Br)cc1 ZINC000408831397 558664862 /nfs/dbraw/zinc/66/48/62/558664862.db2.gz QQZTUTRLUAEYSD-UHFFFAOYSA-N 0 0 415.356 6.086 40 0 HKABRN CCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccc(Cl)cc1 ZINC000408831784 560645712 /nfs/dbraw/zinc/64/57/12/560645712.db2.gz HIZREVIWZKSJHZ-UHFFFAOYSA-N 0 0 415.002 6.571 40 0 HKABRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1ccco1 ZINC000408832048 558664775 /nfs/dbraw/zinc/66/47/75/558664775.db2.gz QYVUKDJOXISPLO-UHFFFAOYSA-N 0 0 422.509 6.989 40 0 HKABRN COc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1 ZINC000408832076 558665002 /nfs/dbraw/zinc/66/50/02/558665002.db2.gz PVEYDRSFDBDCHJ-UHFFFAOYSA-N 0 0 420.921 6.391 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccc(F)cc1 ZINC000408832246 560645697 /nfs/dbraw/zinc/64/56/97/560645697.db2.gz RSPHIXCGUJSCPI-UHFFFAOYSA-N 0 0 416.521 6.821 40 0 HKABRN Cc1cccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)c1 ZINC000408832716 558665422 /nfs/dbraw/zinc/66/54/22/558665422.db2.gz IKJWKZOAOIVXIC-UHFFFAOYSA-N 0 0 404.922 6.691 40 0 HKABRN Cc1ccc(-c2sc(NC(=O)c3ccc(Cl)cc3)nc2-c2ccccc2)cc1C ZINC000408832738 560645663 /nfs/dbraw/zinc/64/56/63/560645663.db2.gz IOOSITMFOSAAQC-UHFFFAOYSA-N 0 0 418.949 7.000 40 0 HKABRN COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 ZINC000408832888 560645702 /nfs/dbraw/zinc/64/57/02/560645702.db2.gz SCBUMECGLHQXJV-UHFFFAOYSA-N 0 0 420.921 6.391 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(OC)cc2)nc1-c1cc(OC)cc(OC)c1 ZINC000408833109 560645837 /nfs/dbraw/zinc/64/58/37/560645837.db2.gz RMHWNSPGKUZURV-UHFFFAOYSA-N 0 0 412.511 5.041 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccc(Cl)cc1Cl ZINC000408833343 560645731 /nfs/dbraw/zinc/64/57/31/560645731.db2.gz JKGLSNHZDDOBBO-UHFFFAOYSA-N 0 0 405.350 6.630 40 0 HKABRN CCCc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc(OCC)cc1 ZINC000408833358 560645721 /nfs/dbraw/zinc/64/57/21/560645721.db2.gz JMPFVFDHEXJKBX-UHFFFAOYSA-N 0 0 400.931 6.067 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000408833582 560645799 /nfs/dbraw/zinc/64/57/99/560645799.db2.gz TUECXTGURLSSLJ-UHFFFAOYSA-N 0 0 409.313 6.461 40 0 HKABRN O=C(CCC(=O)c1ccc(Br)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000408834104 560645820 /nfs/dbraw/zinc/64/58/20/560645820.db2.gz SZGMVRSBBQPEDV-UHFFFAOYSA-N 0 0 401.087 5.358 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc(OC)c(OC)c1 ZINC000408834187 560645805 /nfs/dbraw/zinc/64/58/05/560645805.db2.gz TZCQMIQCAFDOKZ-UHFFFAOYSA-N 0 0 416.930 5.686 40 0 HKABRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1ccc(F)cc1 ZINC000408834330 558666800 /nfs/dbraw/zinc/66/68/00/558666800.db2.gz VWQRMHHJPKULMI-UHFFFAOYSA-N 0 0 408.885 6.522 40 0 HKABRN COc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccc(C)cc2)s1 ZINC000408834477 560645861 /nfs/dbraw/zinc/64/58/61/560645861.db2.gz UIQRNBXZLQHIEP-UHFFFAOYSA-N 0 0 400.503 6.046 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccc(C)cc1 ZINC000408834554 560645826 /nfs/dbraw/zinc/64/58/26/560645826.db2.gz VIYDQZQZDOLXLU-UHFFFAOYSA-N 0 0 405.350 6.630 40 0 HKABRN Cc1ccc(-c2sc(NC(=O)c3ccc(F)cc3)nc2-c2ccccc2)cc1C ZINC000408834672 558667416 /nfs/dbraw/zinc/66/74/16/558667416.db2.gz UWYTWYFTWRVQDK-UHFFFAOYSA-N 0 0 402.494 6.485 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccc(C)cc1 ZINC000408834675 558667493 /nfs/dbraw/zinc/66/74/93/558667493.db2.gz VSVQZAKYDPLHKX-UHFFFAOYSA-N 0 0 412.558 6.990 40 0 HKABRN CC(C)c1ccc(C(=O)CCC(=O)Nc2ccc(I)cc2)cc1 ZINC000408834723 558667514 /nfs/dbraw/zinc/66/75/14/558667514.db2.gz WYMKNXQONCTISS-UHFFFAOYSA-N 0 0 421.278 5.016 40 0 HKABRN CCCc1sc(NC(=O)c2ccccc2C)nc1-c1ccc(Cl)cc1Cl ZINC000408835018 560645859 /nfs/dbraw/zinc/64/58/59/560645859.db2.gz XSCBHHWHLJXXNF-UHFFFAOYSA-N 0 0 405.350 6.630 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(F)cc2)nc1-c1cc(OC)cc(OC)c1 ZINC000408835047 558667732 /nfs/dbraw/zinc/66/77/32/558667732.db2.gz VWURZASXHCPKTQ-UHFFFAOYSA-N 0 0 400.475 5.171 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(F)cc2)nc1-c1cc(OC)ccc1OC ZINC000408835370 560645817 /nfs/dbraw/zinc/64/58/17/560645817.db2.gz XILLFDWOBXZLLW-UHFFFAOYSA-N 0 0 400.475 5.171 40 0 HKABRN CCCc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1cc(OC)ccc1OC ZINC000408835373 558667857 /nfs/dbraw/zinc/66/78/57/558667857.db2.gz YOXFXVSZFUTLGA-UHFFFAOYSA-N 0 0 416.930 5.686 40 0 HKABRN CCCc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1cc(OC)cc(OC)c1 ZINC000408835433 560645849 /nfs/dbraw/zinc/64/58/49/560645849.db2.gz WXZCEISALCDNLJ-UHFFFAOYSA-N 0 0 416.930 5.686 40 0 HKABRN CCCc1sc(NC(=O)c2cccc(C)c2)nc1-c1ccc(Br)cc1 ZINC000408835638 560645845 /nfs/dbraw/zinc/64/58/45/560645845.db2.gz XSDQBYLXJFUVBO-UHFFFAOYSA-N 0 0 415.356 6.086 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccc(C)cc1 ZINC000408835729 558668069 /nfs/dbraw/zinc/66/80/69/558668069.db2.gz ZDWBGBMJWYUYLF-UHFFFAOYSA-N 0 0 415.356 6.086 40 0 HKABRN Cc1ccc(-c2sc(NC(=O)c3cccc(Cl)c3)nc2-c2ccccc2)cc1C ZINC000408835731 558668098 /nfs/dbraw/zinc/66/80/98/558668098.db2.gz ZDWZMMRHBZCTAX-UHFFFAOYSA-N 0 0 418.949 7.000 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(OC)cc2)nc1-c1ccc(Cl)cc1Cl ZINC000408835936 558668147 /nfs/dbraw/zinc/66/81/47/558668147.db2.gz ZSWSLDUKSNXHEX-UHFFFAOYSA-N 0 0 421.349 6.330 40 0 HKABRN CCCc1sc(NC(=O)c2cccc(F)c2)nc1-c1cc(OC)cc(OC)c1 ZINC000408836042 560645839 /nfs/dbraw/zinc/64/58/39/560645839.db2.gz PMQYNEMUAIEPDM-UHFFFAOYSA-N 0 0 400.475 5.171 40 0 HKABRN CCCc1sc(NC(=O)c2ccccc2OC)nc1-c1ccc(Cl)c(Cl)c1 ZINC000408836687 560645797 /nfs/dbraw/zinc/64/57/97/560645797.db2.gz UIWBEYWOZAJBHS-UHFFFAOYSA-N 0 0 421.349 6.330 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccccc1 ZINC000408836743 558669667 /nfs/dbraw/zinc/66/96/67/558669667.db2.gz UZBIBRQLNOMQKK-UHFFFAOYSA-N 0 0 401.329 5.777 40 0 HKABRN COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(C)cc3)s2)cc1 ZINC000408836819 558669719 /nfs/dbraw/zinc/66/97/19/558669719.db2.gz VYZHKOVXDNMWBR-UHFFFAOYSA-N 0 0 400.503 6.046 40 0 HKABRN Cc1ccc(-c2sc(NC(=O)c3cccc(Cl)c3)nc2-c2ccccc2)cc1 ZINC000408836878 560645822 /nfs/dbraw/zinc/64/58/22/560645822.db2.gz WODKJUCOQYRMFL-UHFFFAOYSA-N 0 0 404.922 6.691 40 0 HKABRN Cc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1 ZINC000408836892 560645843 /nfs/dbraw/zinc/64/58/43/560645843.db2.gz WSFZHKNHHFVALB-UHFFFAOYSA-N 0 0 404.922 6.691 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(OC)cc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000408836934 560645824 /nfs/dbraw/zinc/64/58/24/560645824.db2.gz XBMONPWEMRADFM-UHFFFAOYSA-N 0 0 421.349 6.330 40 0 HKABRN O=C(CCC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408836986 558669321 /nfs/dbraw/zinc/66/93/21/558669321.db2.gz XLGOAICARLEZCM-UHFFFAOYSA-N 0 0 414.288 6.387 40 0 HKABRN CCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccc(OCC)cc1 ZINC000408837105 560645828 /nfs/dbraw/zinc/64/58/28/560645828.db2.gz YVXZWVCPZNDEMB-UHFFFAOYSA-N 0 0 424.610 6.316 40 0 HKABRN CCCc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1cc(OC)ccc1OC ZINC000408837169 558669470 /nfs/dbraw/zinc/66/94/70/558669470.db2.gz ZNKZJLSFYSYBEJ-UHFFFAOYSA-N 0 0 416.930 5.686 40 0 HKABRN COc1ccc(/C=C2/N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)cc1O ZINC000408838883 558671276 /nfs/dbraw/zinc/67/12/76/558671276.db2.gz JSGPYWXTNMCCKY-WUXMJOGZSA-N 0 0 420.273 5.267 40 0 HKABRN O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1ccc(Cl)cc1 ZINC000408838964 560646282 /nfs/dbraw/zinc/64/62/82/560646282.db2.gz KWZJDKHYEFUZQF-NTUHNPAUSA-N 0 0 408.693 6.206 40 0 HKABRN O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1ccccc1 ZINC000408838982 560646237 /nfs/dbraw/zinc/64/62/37/560646237.db2.gz LFYCZVTUYSMFMT-MDWZMJQESA-N 0 0 418.699 5.662 40 0 HKABRN O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1/N=C(/C=C/c2ccccc2)OC1=O ZINC000408839025 558671541 /nfs/dbraw/zinc/67/15/41/558671541.db2.gz LSYIHAIKVYBMEH-NHNMBSAWSA-N 0 0 421.452 5.315 40 0 HKABRN Cc1ccc(C(=O)Oc2ccccc2/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc1 ZINC000408839048 560646273 /nfs/dbraw/zinc/64/62/73/560646273.db2.gz MCCLFWTYXBCXMK-QPEHMNFXSA-N 0 0 409.441 5.224 40 0 HKABRN COc1cccc(/C=C2/N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)c1 ZINC000408839170 558671609 /nfs/dbraw/zinc/67/16/09/558671609.db2.gz OFECPKZNLZOQSI-RIYZIHGNSA-N 0 0 404.274 5.561 40 0 HKABRN Cc1ccc2c(Cl)c(C3=N/C(=C/c4ccc(Br)o4)C(=O)O3)sc2c1 ZINC000408839221 560645809 /nfs/dbraw/zinc/64/58/09/560645809.db2.gz OYGKMKYUWWEZAT-YRNVUSSQSA-N 0 0 422.687 5.563 40 0 HKABRN Cc1cccc(C(=O)Oc2ccccc2/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)c1 ZINC000408839446 560645793 /nfs/dbraw/zinc/64/57/93/560645793.db2.gz SIBTVAJPICKNQN-XSFVSMFZSA-N 0 0 417.848 5.212 40 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O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1ccco1 ZINC000408845732 558676011 /nfs/dbraw/zinc/67/60/11/558676011.db2.gz RIWFWEWFMMRMNT-YRNVUSSQSA-N 0 0 408.660 5.255 40 0 HKABRN COc1ccc(/C=C2/N=C(c3sc4cc(C)ccc4c3Cl)OC2=O)cc1OC ZINC000408848261 560646751 /nfs/dbraw/zinc/64/67/51/560646751.db2.gz VHFZAXRMRHGSAN-NTEUORMPSA-N 0 0 413.882 5.225 40 0 HKABRN Cc1cc(C=C2SC(=O)NC2=O)cc(C)c1OCc1ccc(Cl)cc1Cl ZINC000408848618 560646942 /nfs/dbraw/zinc/64/69/42/560646942.db2.gz RXUSURVZXRAIGX-FRKPEAEDSA-N 0 0 408.306 5.513 40 0 HKABRN COc1ccc(/C=C2/N=C(c3sc4cc(C)ccc4c3Cl)OC2=O)c(OC)c1 ZINC000408849459 558682128 /nfs/dbraw/zinc/68/21/28/558682128.db2.gz YWGGYOKVLQBLEU-OQLLNIDSSA-N 0 0 413.882 5.225 40 0 HKABRN Cc1cc(C=C2SC(=O)NC2=O)cc(C)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408850109 560647062 /nfs/dbraw/zinc/64/70/62/560647062.db2.gz GDNPZORGPWHGRJ-LZYBPNLTSA-N 0 0 408.306 5.513 40 0 HKABRN C[C@@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)C(=O)c1ccccc1 ZINC000408852078 558685175 /nfs/dbraw/zinc/68/51/75/558685175.db2.gz 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O=C1S/C(=C\c2ccc(Br)s2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000408871964 560648953 /nfs/dbraw/zinc/64/89/53/560648953.db2.gz IMSKKHBYSOVHNA-GHXNOFRVSA-N 0 0 414.733 5.401 40 0 HKABRN O=C1S/C(=C\c2ccc(N3CCCCC3)o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000408875209 560648849 /nfs/dbraw/zinc/64/88/49/560648849.db2.gz HIDZXPYXVKQKBX-ATVHPVEESA-N 0 0 402.903 5.160 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1)NCCSCc1cccc(Cl)c1 ZINC000408879334 558712269 /nfs/dbraw/zinc/71/22/69/558712269.db2.gz FDRBZDSOBUNMHR-UHFFFAOYSA-N 0 0 400.396 5.276 40 0 HKABRN COc1ccc(Br)c2c1-c1nc(Nc3ccccc3C)sc1CC2 ZINC000408880428 571308873 /nfs/dbraw/zinc/30/88/73/571308873.db2.gz JUMPNYMABKBBLU-UHFFFAOYSA-N 0 0 401.329 5.732 40 0 HKABRN CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408882197 560649998 /nfs/dbraw/zinc/64/99/98/560649998.db2.gz QKHGSXHEPZSMSZ-SXGWCWSVSA-N 0 0 423.321 5.110 40 0 HKABRN COc1cc2c(cc1C)-c1nc(Nc3ccc(Br)cc3)sc1CC2 ZINC000408884408 560649745 /nfs/dbraw/zinc/64/97/45/560649745.db2.gz YZSDZGXABGDDCN-UHFFFAOYSA-N 0 0 401.329 5.732 40 0 HKABRN COc1ccc(Br)c2c1-c1nc(Nc3ccc(Cl)cc3)sc1CC2 ZINC000408884413 558713108 /nfs/dbraw/zinc/71/31/08/558713108.db2.gz ZAVCURXDVYCHER-UHFFFAOYSA-N 0 0 421.747 6.077 40 0 HKABRN COc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408884680 560649761 /nfs/dbraw/zinc/64/97/61/560649761.db2.gz UUROQPBLTKRWRX-ODLFYWEKSA-N 0 0 424.909 5.219 40 0 HKABRN COc1ccc(Br)c2c1-c1nc(Nc3cccc(Cl)c3)sc1CC2 ZINC000408885712 571308866 /nfs/dbraw/zinc/30/88/66/571308866.db2.gz FGXUPBNQTVWMJH-UHFFFAOYSA-N 0 0 421.747 6.077 40 0 HKABRN COc1ccc(Br)c2c1-c1nc(Nc3ccc(C)cc3)sc1CC2 ZINC000408886600 560650234 /nfs/dbraw/zinc/65/02/34/560650234.db2.gz KRFMPVRSZFTXAQ-UHFFFAOYSA-N 0 0 401.329 5.732 40 0 HKABRN COc1ccc(Br)c2c1-c1nc(Nc3cccc(C)c3)sc1CC2 ZINC000408887171 571308854 /nfs/dbraw/zinc/30/88/54/571308854.db2.gz OQRVPUXEUMJGBP-UHFFFAOYSA-N 0 0 401.329 5.732 40 0 HKABRN COc1ccc2c(c1)Cc1sc(Nc3ccc(I)cc3)nc1-2 ZINC000408888926 560650169 /nfs/dbraw/zinc/65/01/69/560650169.db2.gz CVKVEUZZUIRMKK-UHFFFAOYSA-N 0 0 420.275 5.071 40 0 HKABRN Ic1ccc(Nc2nc3c(s2)CCc2ccccc2-3)cc1 ZINC000408889004 560650135 /nfs/dbraw/zinc/65/01/35/560650135.db2.gz AOIDLBLEBFMNSH-UHFFFAOYSA-N 0 0 404.276 5.257 40 0 HKABRN COc1ccc(Br)c2c1-c1nc(Nc3ccc(F)cc3)sc1CC2 ZINC000408889528 558715267 /nfs/dbraw/zinc/71/52/67/558715267.db2.gz DSOWSJRLSGPFTA-UHFFFAOYSA-N 0 0 405.292 5.563 40 0 HKABRN N=C1NC(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)S1 ZINC000408890507 560650250 /nfs/dbraw/zinc/65/02/50/560650250.db2.gz UWOYXVMYCWNMEX-AUWJEWJLSA-N 0 0 413.713 5.364 40 0 HKABRN COc1ccc(Nc2nc3c(s2)CCc2c(Br)ccc(OC)c2-3)cc1 ZINC000408897117 560651584 /nfs/dbraw/zinc/65/15/84/560651584.db2.gz VUDHYIXGIMEOCK-UHFFFAOYSA-N 0 0 417.328 5.432 40 0 HKABRN COc1ccc(Br)c2c1-c1nc(Nc3ccccc3Cl)sc1CC2 ZINC000408899203 571308832 /nfs/dbraw/zinc/30/88/32/571308832.db2.gz OAICSBABTVVTRB-UHFFFAOYSA-N 0 0 421.747 6.077 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C ZINC000408901361 560651281 /nfs/dbraw/zinc/65/12/81/560651281.db2.gz DOFRMCUYTOYYBF-LDADJPATSA-N 0 0 417.914 5.767 40 0 HKABRN COc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OCc1ccccc1 ZINC000408902681 560652202 /nfs/dbraw/zinc/65/22/02/560652202.db2.gz PULQOEBMMKRCLS-PXLXIMEGSA-N 0 0 417.486 5.515 40 0 HKABRN CC(C)Oc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408902713 560652200 /nfs/dbraw/zinc/65/22/00/560652200.db2.gz QHUCIXRKNCCZOA-GZTJUZNOSA-N 0 0 418.312 5.477 40 0 HKABRN COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C ZINC000408902999 560652329 /nfs/dbraw/zinc/65/23/29/560652329.db2.gz UBKJYXIBYPFYHO-GZTJUZNOSA-N 0 0 403.887 5.377 40 0 HKABRN CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408903229 560652398 /nfs/dbraw/zinc/65/23/98/560652398.db2.gz WAXLTBRSBGZTAI-HTMJNSLASA-N 0 0 417.914 5.767 40 0 HKABRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408903230 560652468 /nfs/dbraw/zinc/65/24/68/560652468.db2.gz WAXLTBRSBGZTAI-RNEAKCBISA-N 0 0 417.914 5.767 40 0 HKABRN CCOc1cc(Cl)c(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000408903243 560652391 /nfs/dbraw/zinc/65/23/91/560652391.db2.gz WIJBNWGYFWVQQN-WOJGMQOQSA-N 0 0 403.887 5.378 40 0 HKABRN CC[C@H](C)Oc1ccc2ccccc2c1/C=C1/SC(=O)N(c2ccccc2)C1=O ZINC000408903313 558727458 /nfs/dbraw/zinc/72/74/58/558727458.db2.gz XFBQUQYJWJIJLA-PZBNQXIHSA-N 0 0 403.503 6.258 40 0 HKABRN CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1/SC(=O)N(c2ccccc2)C1=O ZINC000408903315 558727469 /nfs/dbraw/zinc/72/74/69/558727469.db2.gz XFBQUQYJWJIJLA-QFNCUCFLSA-N 0 0 403.503 6.258 40 0 HKABRN O=C(c1ccc(CSCc2ccccc2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000408905888 558728882 /nfs/dbraw/zinc/72/88/82/558728882.db2.gz ANNYLEVNOWLXHQ-UHFFFAOYSA-N 0 0 420.553 5.222 40 0 HKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cccc(Cl)c1 ZINC000408905972 560651891 /nfs/dbraw/zinc/65/18/91/560651891.db2.gz BNHQKZWZBHTZHT-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN O=C(/C=C/c1ccccc1Cl)NCCSCc1ccc(Cl)cc1Cl ZINC000408906188 560651882 /nfs/dbraw/zinc/65/18/82/560651882.db2.gz CWPZJVSGFSWMEP-SOFGYWHQSA-N 0 0 400.758 5.710 40 0 HKABRN O=C(NCCSCc1cccs1)c1ccc(CSCc2ccccc2)cc1 ZINC000408906317 558729275 /nfs/dbraw/zinc/72/92/75/558729275.db2.gz GGWRKQDWUWUWGR-UHFFFAOYSA-N 0 0 413.633 5.845 40 0 HKABRN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000408906531 560652025 /nfs/dbraw/zinc/65/20/25/560652025.db2.gz GRWCHDSGZIMZKW-UHFFFAOYSA-N 0 0 416.502 5.201 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408906819 560651976 /nfs/dbraw/zinc/65/19/76/560651976.db2.gz IOBJXLLBHRKHGM-UHFFFAOYSA-N 0 0 402.346 6.846 40 0 HKABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000408906864 558728355 /nfs/dbraw/zinc/72/83/55/558728355.db2.gz JOVFREHIIIUJDJ-UHFFFAOYSA-N 0 0 422.550 5.346 40 0 HKABRN COc1ccc(CCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1OC ZINC000408906959 560651979 /nfs/dbraw/zinc/65/19/79/560651979.db2.gz LBKGQPYQSYFMDH-HEHNFIMWSA-N 0 0 421.924 5.257 40 0 HKABRN COc1ccc(CC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1OC ZINC000408907019 560652156 /nfs/dbraw/zinc/65/21/56/560652156.db2.gz FYBXBYZBYZXTHG-UHFFFAOYSA-N 0 0 407.535 5.486 40 0 HKABRN O=C(/C=C/c1ccccc1Cl)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000408907452 558730424 /nfs/dbraw/zinc/73/04/24/558730424.db2.gz OHVXOEYWPFMRBL-SOFGYWHQSA-N 0 0 400.758 5.710 40 0 HKABRN Cc1ccc(SCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 ZINC000408907458 560652134 /nfs/dbraw/zinc/65/21/34/560652134.db2.gz OMJBFTWYORYGJG-OQKWZONESA-N 0 0 407.966 6.098 40 0 HKABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000408907793 560651943 /nfs/dbraw/zinc/65/19/43/560651943.db2.gz SBFVPWQQOAELIM-UHFFFAOYSA-N 0 0 421.305 5.047 40 0 HKABRN COc1ccc(CCCC(=O)Nc2ccc(Br)cc2C(C)C)c(C)c1 ZINC000408908111 560652622 /nfs/dbraw/zinc/65/26/22/560652622.db2.gz DOIKZHNOCSJMEE-UHFFFAOYSA-N 0 0 404.348 5.851 40 0 HKABRN O=C(c1ccc(CSCc2ccccc2)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000408908156 560652682 /nfs/dbraw/zinc/65/26/82/560652682.db2.gz UJMVPFRORNPPKP-UHFFFAOYSA-N 0 0 420.553 5.222 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCCSCc2ccc(C)cc2)c2ccccc2)cc1 ZINC000408908642 560652728 /nfs/dbraw/zinc/65/27/28/560652728.db2.gz XBXYHOKBLORHLL-XIEYBQDHSA-N 0 0 417.574 5.594 40 0 HKABRN CCOC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408908680 558729882 /nfs/dbraw/zinc/72/98/82/558729882.db2.gz XTFITIQPTMNDQJ-CAPFRKAQSA-N 0 0 405.881 5.696 40 0 HKABRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(CSc2ccccc2)cc1 ZINC000408909414 560652953 /nfs/dbraw/zinc/65/29/53/560652953.db2.gz HKNVZHKSPIXKDZ-UHFFFAOYSA-N 0 0 418.345 6.303 40 0 HKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000408910219 560653071 /nfs/dbraw/zinc/65/30/71/560653071.db2.gz GIUXNQBXTABYNB-MRVPVSSYSA-N 0 0 423.521 5.815 40 0 HKABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000408910222 560653076 /nfs/dbraw/zinc/65/30/76/560653076.db2.gz GIUXNQBXTABYNB-QMMMGPOBSA-N 0 0 423.521 5.815 40 0 HKABRN O=C(CSc1ccc(Cl)cc1)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000408910355 560653173 /nfs/dbraw/zinc/65/31/73/560653173.db2.gz KGFBVFQKLSSAPU-UHFFFAOYSA-N 0 0 420.814 5.789 40 0 HKABRN Cc1ccc(Sc2oc(/C=C3/SC(=O)N(C)C3=O)cc2Br)cc1 ZINC000408910388 560653156 /nfs/dbraw/zinc/65/31/56/560653156.db2.gz JYNUDQXHVINUSA-MDWZMJQESA-N 0 0 410.314 5.168 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(CSc2ccccc2)cc1 ZINC000408910836 560653250 /nfs/dbraw/zinc/65/32/50/560653250.db2.gz LRGWWLIKAFKNNM-UKTHLTGXSA-N 0 0 414.357 6.938 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCCSc2ccc(C)cc2)c2ccccc2)cc1 ZINC000408910843 560653267 /nfs/dbraw/zinc/65/32/67/560653267.db2.gz LSLXPKIQPNSLQJ-HKOYGPOVSA-N 0 0 403.547 5.453 40 0 HKABRN CC1=C(c2ccccc2)N[C@H](NC(=O)CCCOc2ccc(Cl)cc2Cl)S1 ZINC000408911099 558731116 /nfs/dbraw/zinc/73/11/16/558731116.db2.gz IWBOSZWFOQMNAE-FQEVSTJZSA-N 0 0 423.365 5.277 40 0 HKABRN CC1=C(c2ccccc2)N[C@@H](NC(=O)CCCOc2ccc(Cl)cc2Cl)S1 ZINC000408911100 560653266 /nfs/dbraw/zinc/65/32/66/560653266.db2.gz IWBOSZWFOQMNAE-HXUWFJFHSA-N 0 0 423.365 5.277 40 0 HKABRN Cc1cc(Br)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1C ZINC000408912562 558733751 /nfs/dbraw/zinc/73/37/51/558733751.db2.gz NWKHYOIJOBBPSF-LLVKDONJSA-N 0 0 417.130 5.779 40 0 HKABRN Cc1cc(Br)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1C ZINC000408912563 558733659 /nfs/dbraw/zinc/73/36/59/558733659.db2.gz NWKHYOIJOBBPSF-NSHDSACASA-N 0 0 417.130 5.779 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000408914357 558734433 /nfs/dbraw/zinc/73/44/33/558734433.db2.gz WKADUHIIXPHRKL-FMIVXFBMSA-N 0 0 403.503 5.668 40 0 HKABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 ZINC000408914881 560653900 /nfs/dbraw/zinc/65/39/00/560653900.db2.gz YJVNBMYMRLQPDR-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1 ZINC000408915203 558734468 /nfs/dbraw/zinc/73/44/68/558734468.db2.gz YMOQFSSSKRVPNT-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN COc1ccc(CCCC(=O)Nc2ccc(Br)cc2C(C)C)cc1C ZINC000408915946 558734983 /nfs/dbraw/zinc/73/49/83/558734983.db2.gz SGXANUJXUIAKSH-UHFFFAOYSA-N 0 0 404.348 5.851 40 0 HKABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1Cl)C1c3ccccc3C2c2ccccc21 ZINC000408917873 560653545 /nfs/dbraw/zinc/65/35/45/560653545.db2.gz CFJNYPHLTGIGOE-JQBYJRRVSA-N 0 0 420.295 5.390 40 0 HKABRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1Cl)C1c3ccccc3C2c2ccccc21 ZINC000408917874 560653513 /nfs/dbraw/zinc/65/35/13/560653513.db2.gz CFJNYPHLTGIGOE-UJKMTWAASA-N 0 0 420.295 5.390 40 0 HKABRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)cc1C ZINC000408919480 560654658 /nfs/dbraw/zinc/65/46/58/560654658.db2.gz YNHRLJIJEYXMNJ-FGEXJBCWSA-N 0 0 413.904 5.051 40 0 HKABRN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)cc1C ZINC000408919481 558737981 /nfs/dbraw/zinc/73/79/81/558737981.db2.gz YNHRLJIJEYXMNJ-QQNJPBSNSA-N 0 0 413.904 5.051 40 0 HKABRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)cc1C ZINC000408919482 558737988 /nfs/dbraw/zinc/73/79/88/558737988.db2.gz YNHRLJIJEYXMNJ-VUUXHMSQSA-N 0 0 413.904 5.051 40 0 HKABRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)cc1C ZINC000408919483 560654639 /nfs/dbraw/zinc/65/46/39/560654639.db2.gz YNHRLJIJEYXMNJ-ZQFKLAOWSA-N 0 0 413.904 5.051 40 0 HKABRN O=C(CSCc1ccccc1)NCCSCc1ccc(Cl)cc1Cl ZINC000408920224 560654377 /nfs/dbraw/zinc/65/43/77/560654377.db2.gz BURQOMQXEUQMHR-UHFFFAOYSA-N 0 0 400.396 5.276 40 0 HKABRN Cc1cc(C)cc(CSCC(=O)Nc2ccc(CSc3ccccc3)cc2)c1 ZINC000408920416 560654374 /nfs/dbraw/zinc/65/43/74/560654374.db2.gz GZICLWJDMGKNNF-UHFFFAOYSA-N 0 0 407.604 6.468 40 0 HKABRN Cc1cccc(CSCCNC(=O)CSCc2ccccc2Br)c1 ZINC000408920630 560654368 /nfs/dbraw/zinc/65/43/68/560654368.db2.gz KWBAGNCUSBTRRI-UHFFFAOYSA-N 0 0 424.429 5.040 40 0 HKABRN O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000408920635 560654389 /nfs/dbraw/zinc/65/43/89/560654389.db2.gz KZYKRZMNJAJZSX-PTGBLXJZSA-N 0 0 420.915 5.369 40 0 HKABRN C[C@H](SCc1ccccc1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000408920785 560654393 /nfs/dbraw/zinc/65/43/93/560654393.db2.gz MWULEVZRCASOFN-AWEZNQCLSA-N 0 0 414.423 5.665 40 0 HKABRN C[C@@H](SCc1ccccc1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000408920786 558738827 /nfs/dbraw/zinc/73/88/27/558738827.db2.gz MWULEVZRCASOFN-CQSZACIVSA-N 0 0 414.423 5.665 40 0 HKABRN O=C(CSCc1cccc(Cl)c1)Nc1ccc(CSc2ccccc2)cc1 ZINC000408920988 558744201 /nfs/dbraw/zinc/74/42/01/558744201.db2.gz QKGPSUJPYZRWCW-UHFFFAOYSA-N 0 0 413.995 6.504 40 0 HKABRN O=C(NCCSCc1ccccc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408921045 560654347 /nfs/dbraw/zinc/65/43/47/560654347.db2.gz BUZBGNMZXPUMEX-OQKWZONESA-N 0 0 407.966 5.930 40 0 HKABRN COC(=O)c1ccc(C)c(NC(=O)c2ccc(CSCc3ccccc3)cc2)c1 ZINC000408921081 560654332 /nfs/dbraw/zinc/65/43/32/560654332.db2.gz CRXFVXOFQXLHHK-UHFFFAOYSA-N 0 0 405.519 5.467 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H](C)SCc1ccccc1 ZINC000408921692 560654477 /nfs/dbraw/zinc/65/44/77/560654477.db2.gz VDUWTHFQQMKTHC-IBGZPJMESA-N 0 0 407.604 6.548 40 0 HKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H](C)SCc1ccccc1 ZINC000408921693 560654460 /nfs/dbraw/zinc/65/44/60/560654460.db2.gz VDUWTHFQQMKTHC-LJQANCHMSA-N 0 0 407.604 6.548 40 0 HKABRN Cc1ccc(CSCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408921700 560654430 /nfs/dbraw/zinc/65/44/30/560654430.db2.gz VGAZKJCXEPUIJM-UHFFFAOYSA-N 0 0 414.423 5.585 40 0 HKABRN Cc1ccccc1CSCC(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000408921826 560654462 /nfs/dbraw/zinc/65/44/62/560654462.db2.gz YANDJQMNBGGVPG-UHFFFAOYSA-N 0 0 407.604 6.468 40 0 HKABRN Cc1ccc(CSCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 ZINC000408921962 560654424 /nfs/dbraw/zinc/65/44/24/560654424.db2.gz MOQDGYUXWIQCBD-HAVVHWLPSA-N 0 0 421.993 6.239 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCCSCc2ccccc2)c2ccccc2)cc1 ZINC000408922011 560654437 /nfs/dbraw/zinc/65/44/37/560654437.db2.gz NWRBAWVAZMDRRE-HKOYGPOVSA-N 0 0 403.547 5.285 40 0 HKABRN C[C@@H](Sc1ccccc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000408922032 560654467 /nfs/dbraw/zinc/65/44/67/560654467.db2.gz DMBCTZKCUGJDTQ-CYBMUJFWSA-N 0 0 400.396 5.524 40 0 HKABRN C[C@H](Sc1ccccc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000408922034 560654440 /nfs/dbraw/zinc/65/44/40/560654440.db2.gz DMBCTZKCUGJDTQ-ZDUSSCGKSA-N 0 0 400.396 5.524 40 0 HKABRN Cc1cc(C)cc(CSCC(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 ZINC000408922086 558747459 /nfs/dbraw/zinc/74/74/59/558747459.db2.gz DYHOHYDYEWGDGO-UHFFFAOYSA-N 0 0 421.631 6.776 40 0 HKABRN C[C@@H](Sc1ccccc1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000408922350 560654356 /nfs/dbraw/zinc/65/43/56/560654356.db2.gz ZPCHDAJOJFFTJD-CYBMUJFWSA-N 0 0 400.396 5.524 40 0 HKABRN C[C@H](Sc1ccccc1)C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000408922351 560654359 /nfs/dbraw/zinc/65/43/59/560654359.db2.gz ZPCHDAJOJFFTJD-ZDUSSCGKSA-N 0 0 400.396 5.524 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1 ZINC000408922625 560654729 /nfs/dbraw/zinc/65/47/29/560654729.db2.gz PQJJHNFKVXFSCD-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN COc1ccc(CSCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000408923326 560654860 /nfs/dbraw/zinc/65/48/60/560654860.db2.gz BRBXEFPWNFGVRZ-UHFFFAOYSA-N 0 0 409.576 5.859 40 0 HKABRN O=C(Nc1cccc(C(F)(F)F)c1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408923987 558748912 /nfs/dbraw/zinc/74/89/12/558748912.db2.gz IVXKFXHHWQFFFY-CPNJWEJPSA-N 0 0 401.815 6.538 40 0 HKABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccc(F)cc1 ZINC000408924005 558748866 /nfs/dbraw/zinc/74/88/66/558748866.db2.gz IZAZYEGHPNHSON-UHFFFAOYSA-N 0 0 420.465 5.032 40 0 HKABRN O=C(CSCc1ccccc1)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000408924173 560654859 /nfs/dbraw/zinc/65/48/59/560654859.db2.gz CZRVKGGEAOAXHH-UHFFFAOYSA-N 0 0 400.396 5.276 40 0 HKABRN Cc1cccc(CSCCNC(=O)CSCc2cccc(Br)c2)c1 ZINC000408924237 560654902 /nfs/dbraw/zinc/65/49/02/560654902.db2.gz DYEVIBSQJAAPQP-UHFFFAOYSA-N 0 0 424.429 5.040 40 0 HKABRN Cc1ccc(CSCC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000408924252 558749089 /nfs/dbraw/zinc/74/90/89/558749089.db2.gz FEWVMXCSSFZTNM-UHFFFAOYSA-N 0 0 407.604 6.468 40 0 HKABRN COc1ccc(CSCC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000408924448 560654880 /nfs/dbraw/zinc/65/48/80/560654880.db2.gz OIXAWNVRBZSEGY-UHFFFAOYSA-N 0 0 423.603 6.168 40 0 HKABRN COC(=O)c1ccc(C)c(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 ZINC000408924904 560654997 /nfs/dbraw/zinc/65/49/97/560654997.db2.gz QONNVTGINUUQIS-XSFVSMFZSA-N 0 0 405.881 5.614 40 0 HKABRN C[C@H](SCc1ccccc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000408924966 558749139 /nfs/dbraw/zinc/74/91/39/558749139.db2.gz QXKCPSKYLSIXOA-AWEZNQCLSA-N 0 0 414.423 5.665 40 0 HKABRN C[C@@H](SCc1ccccc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000408924967 558749161 /nfs/dbraw/zinc/74/91/61/558749161.db2.gz QXKCPSKYLSIXOA-CQSZACIVSA-N 0 0 414.423 5.665 40 0 HKABRN O=C(Nc1ccc(Br)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408925098 560654628 /nfs/dbraw/zinc/65/46/28/560654628.db2.gz MBJAQHUAGZLMTP-XMHGGMMESA-N 0 0 412.714 6.282 40 0 HKABRN COc1ccc(/C=C(/C(=O)Nc2ccc(Br)c(C)c2)c2ccccc2)cc1 ZINC000408925103 558749556 /nfs/dbraw/zinc/74/95/56/558749556.db2.gz MBXYJIRYOITIIQ-RCCKNPSSSA-N 0 0 422.322 5.945 40 0 HKABRN O=C(Nc1ccccc1C(F)(F)F)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408926385 560654735 /nfs/dbraw/zinc/65/47/35/560654735.db2.gz SOFBJCPPFRPMJH-SAPNQHFASA-N 0 0 401.815 6.538 40 0 HKABRN O=C(Nc1cccc(Br)c1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408926401 560654795 /nfs/dbraw/zinc/65/47/95/560654795.db2.gz SSJFDTHTRSZKQP-CPNJWEJPSA-N 0 0 412.714 6.282 40 0 HKABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000408926802 560654829 /nfs/dbraw/zinc/65/48/29/560654829.db2.gz WNGFDPQGFQMBDH-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN COc1ccc(/C=C(/C(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2)cc1 ZINC000408927116 558749989 /nfs/dbraw/zinc/74/99/89/558749989.db2.gz YBLYMVLASULVPR-NHFJDJAPSA-N 0 0 421.496 6.667 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCCSCc2cccc(C)c2)c2ccccc2)cc1 ZINC000408927167 560654787 /nfs/dbraw/zinc/65/47/87/560654787.db2.gz YMCDXUWXSYKDRX-XIEYBQDHSA-N 0 0 417.574 5.594 40 0 HKABRN COc1ccc(/C=C/C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1OC ZINC000408927213 558750025 /nfs/dbraw/zinc/75/00/25/558750025.db2.gz YQLCWTDEAMEYHZ-SDNWHVSQSA-N 0 0 419.546 5.956 40 0 HKABRN Cc1cccc(CSCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 ZINC000408927470 558750324 /nfs/dbraw/zinc/75/03/24/558750324.db2.gz VSVRTGICYDRWCJ-HAVVHWLPSA-N 0 0 421.993 6.239 40 0 HKABRN O=C(CCSc1ccccc1)NCCSCc1ccc(Cl)cc1Cl ZINC000408927542 558749309 /nfs/dbraw/zinc/74/93/09/558749309.db2.gz WVYLYZKVCNWWHR-UHFFFAOYSA-N 0 0 400.396 5.525 40 0 HKABRN COc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000408949802 560656704 /nfs/dbraw/zinc/65/67/04/560656704.db2.gz CGUTUBGHPUPXFP-MOSHPQCFSA-N 0 0 424.909 5.376 40 0 HKABRN COc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1 ZINC000408952175 558757586 /nfs/dbraw/zinc/75/75/86/558757586.db2.gz KVVQONAPLNRAAU-STZFKDTASA-N 0 0 404.491 5.031 40 0 HKABRN COc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000408952192 560656945 /nfs/dbraw/zinc/65/69/45/560656945.db2.gz LCIRPWUFBWLWCX-STZFKDTASA-N 0 0 404.491 5.031 40 0 HKABRN Nc1cc(-c2ccc(Br)cc2)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000408952461 560657177 /nfs/dbraw/zinc/65/71/77/560657177.db2.gz NWSNYNWXKMMMSJ-UHFFFAOYSA-N 0 0 417.521 5.844 40 0 HKABRN Nc1cc(-c2cccc(Br)c2)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000408955188 558765129 /nfs/dbraw/zinc/76/51/29/558765129.db2.gz TWKOHDUONXDHFK-UHFFFAOYSA-N 0 0 417.521 5.844 40 0 HKABRN COc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000408955961 558765463 /nfs/dbraw/zinc/76/54/63/558765463.db2.gz ZEXBCEUPVYCDOB-MOSHPQCFSA-N 0 0 424.909 5.376 40 0 HKABRN Cc1ccc(CN2C(=O)S/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000408959652 560657557 /nfs/dbraw/zinc/65/75/57/560657557.db2.gz CPCJMIHIVOAJEG-JCMHNJIXSA-N 0 0 417.534 5.088 40 0 HKABRN Cc1cccc(CN2C(=O)S/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C2=O)c1 ZINC000408961093 560658085 /nfs/dbraw/zinc/65/80/85/560658085.db2.gz QYINZFAAUHWMBU-JCMHNJIXSA-N 0 0 417.534 5.088 40 0 HKABRN O=C(Nc1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000408963369 560658703 /nfs/dbraw/zinc/65/87/03/560658703.db2.gz AJFXQODTQNTJPE-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN COc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)c(Cl)c3)sc2c1Cl ZINC000408968716 560659512 /nfs/dbraw/zinc/65/95/12/560659512.db2.gz BQTKOWBUPJYEFR-UHFFFAOYSA-N 0 0 421.132 6.776 40 0 HKABRN COc1ccc2c(Cl)c(C3=N/C(=C\c4ccc(C)cc4)C(=O)O3)sc2c1Cl ZINC000408968857 558781840 /nfs/dbraw/zinc/78/18/40/558781840.db2.gz CCFFASHOXMITGH-LCYFTJDESA-N 0 0 418.301 5.870 40 0 HKABRN COc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3Cl)sc2c1Cl ZINC000408968926 560659502 /nfs/dbraw/zinc/65/95/02/560659502.db2.gz CXLFZYHUDHMTPN-UHFFFAOYSA-N 0 0 421.132 6.776 40 0 HKABRN COc1ccc2c(Cl)c(C(=O)Nc3ccccc3C(F)(F)F)sc2c1Cl ZINC000408968952 560659483 /nfs/dbraw/zinc/65/94/83/560659483.db2.gz DNCPPXOVYMHJEV-UHFFFAOYSA-N 0 0 420.239 6.488 40 0 HKABRN COc1ccc2c(Cl)c(C3=N/C(=C\c4ccccc4)C(=O)O3)sc2c1Cl ZINC000408968974 560659497 /nfs/dbraw/zinc/65/94/97/560659497.db2.gz DXAQTXTWJQHHCV-XFXZXTDPSA-N 0 0 404.274 5.561 40 0 HKABRN CCOc1ccccc1/C=C1\N=C(c2sc3cc(Cl)ccc3c2Cl)OC1=O ZINC000408969039 558781917 /nfs/dbraw/zinc/78/19/17/558781917.db2.gz GDFQYUBMOMCXDJ-ZROIWOOFSA-N 0 0 418.301 5.951 40 0 HKABRN Cc1ccc2c(Cl)c(C3=N/C(=C\c4ccc(Cl)c(Cl)c4)C(=O)O3)sc2c1 ZINC000408969134 558781862 /nfs/dbraw/zinc/78/18/62/558781862.db2.gz HXQRBZQSOZSION-ZSOIEALJSA-N 0 0 422.720 6.514 40 0 HKABRN COc1ccc2c(Cl)c(C(=O)Nc3ccc4ccccc4c3)sc2c1Cl ZINC000408969136 558781859 /nfs/dbraw/zinc/78/18/59/558781859.db2.gz HZSBCTABJFOVBG-UHFFFAOYSA-N 0 0 402.302 6.622 40 0 HKABRN COc1ccc2c(Cl)c(C3=N/C(=C\c4ccc(F)cc4)C(=O)O3)sc2c1Cl ZINC000408969160 558781832 /nfs/dbraw/zinc/78/18/32/558781832.db2.gz IGCBZRWSWSDANL-WQLSENKSSA-N 0 0 422.264 5.700 40 0 HKABRN Cc1cccc(/C=C2\N=C(c3sc4cc(Cl)cc(Cl)c4c3Cl)OC2=O)c1 ZINC000408969180 558782211 /nfs/dbraw/zinc/78/22/11/558782211.db2.gz ISLJZQNTRRFEHQ-MLPAPPSSSA-N 0 0 422.720 6.514 40 0 HKABRN COc1cccc(/C=C2\N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)c1C ZINC000408969412 560659593 /nfs/dbraw/zinc/65/95/93/560659593.db2.gz NHPINEBZFJSOKW-ZSOIEALJSA-N 0 0 418.301 5.870 40 0 HKABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1sc2cc(Cl)ccc2c1Cl ZINC000408969543 558782439 /nfs/dbraw/zinc/78/24/39/558782439.db2.gz PWEPGTZCZDMLRT-UHFFFAOYSA-N 0 0 424.658 7.133 40 0 HKABRN O=C1OC(c2sc3cc(Cl)cc(Cl)c3c2Cl)=N/C1=C\c1cccs1 ZINC000408969595 558782454 /nfs/dbraw/zinc/78/24/54/558782454.db2.gz QMOBFAXYAOQVOA-POHAHGRESA-N 0 0 414.722 6.268 40 0 HKABRN O=C1OC(c2sc3cc(Cl)cc(Cl)c3c2Cl)=N/C1=C\c1ccccc1 ZINC000408969662 558782883 /nfs/dbraw/zinc/78/28/83/558782883.db2.gz RRIBXJCGOWOURV-SDQBBNPISA-N 0 0 408.693 6.206 40 0 HKABRN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c(C)c1 ZINC000408969777 558783291 /nfs/dbraw/zinc/78/32/91/558783291.db2.gz UJKKCIAIIQNHEZ-UHFFFAOYSA-N 0 0 405.325 5.101 40 0 HKABRN COc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3C)sc2c1Cl ZINC000408969888 560659645 /nfs/dbraw/zinc/65/96/45/560659645.db2.gz WLYUTBPJOLGLGI-UHFFFAOYSA-N 0 0 400.714 6.431 40 0 HKABRN COc1ccc2c(Cl)c(C(=O)Nc3ccc(C)c(Cl)c3)sc2c1Cl ZINC000408969891 558783762 /nfs/dbraw/zinc/78/37/62/558783762.db2.gz WMQWQWFXNWXVLZ-UHFFFAOYSA-N 0 0 400.714 6.431 40 0 HKABRN Cc1ccc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1Cl ZINC000408969931 560659579 /nfs/dbraw/zinc/65/95/79/560659579.db2.gz XCUCGOCURXZAHL-UHFFFAOYSA-N 0 0 405.133 7.076 40 0 HKABRN O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C\c1cccc(Cl)c1 ZINC000408970005 560659643 /nfs/dbraw/zinc/65/96/43/560659643.db2.gz YMDHZNKBMWWNGR-QPEQYQDCSA-N 0 0 408.693 6.206 40 0 HKABRN CCc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000408970073 560659700 /nfs/dbraw/zinc/65/97/00/560659700.db2.gz ZYDANDTYFSLSNB-UHFFFAOYSA-N 0 0 405.325 5.047 40 0 HKABRN O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000408970251 560659681 /nfs/dbraw/zinc/65/96/81/560659681.db2.gz DOIVMGNCVNEKLV-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN CCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000408970264 558787784 /nfs/dbraw/zinc/78/77/84/558787784.db2.gz DWXAPBYJLUFEHL-UHFFFAOYSA-N 0 0 405.325 5.047 40 0 HKABRN COc1ccc2c(Cl)c(C(=O)Nc3cccc(Cl)c3Cl)sc2c1Cl ZINC000408970325 560659662 /nfs/dbraw/zinc/65/96/62/560659662.db2.gz GACURQUNKZMQOV-UHFFFAOYSA-N 0 0 421.132 6.776 40 0 HKABRN COC(=O)c1ccccc1NC(=O)c1sc2c(ccc(OC)c2Cl)c1Cl ZINC000408970360 560659658 /nfs/dbraw/zinc/65/96/58/560659658.db2.gz GSWONINRGRWFTR-UHFFFAOYSA-N 0 0 410.278 5.256 40 0 HKABRN COc1ccc2c(Cl)c(C(=O)Nc3c(Cl)cccc3Cl)sc2c1Cl ZINC000408970486 560659660 /nfs/dbraw/zinc/65/96/60/560659660.db2.gz AEANDKHLTJXBAH-UHFFFAOYSA-N 0 0 421.132 6.776 40 0 HKABRN Cc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000408970552 560659666 /nfs/dbraw/zinc/65/96/66/560659666.db2.gz BGFBAORPCNVUPF-UHFFFAOYSA-N 0 0 405.325 5.101 40 0 HKABRN CCOc1ccccc1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000408970610 560659708 /nfs/dbraw/zinc/65/97/08/560659708.db2.gz JFZAMFKZZXGUNF-UHFFFAOYSA-N 0 0 400.714 6.513 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000408970664 558795005 /nfs/dbraw/zinc/79/50/05/558795005.db2.gz JWMGYAHRLZELON-UHFFFAOYSA-N 0 0 405.133 7.076 40 0 HKABRN COc1ccc2c(Cl)c(C3=N/C(=C\c4cccc(C)c4)C(=O)O3)sc2c1Cl ZINC000408970700 560659709 /nfs/dbraw/zinc/65/97/09/560659709.db2.gz CDDHVXSPGAADEU-LCYFTJDESA-N 0 0 418.301 5.870 40 0 HKABRN O=C(Nc1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000408971000 560659683 /nfs/dbraw/zinc/65/96/83/560659683.db2.gz FOSLWOOHYMPGPC-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN Cc1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1 ZINC000408971012 558797973 /nfs/dbraw/zinc/79/79/73/558797973.db2.gz FSKIZOXBHNTMEM-UHFFFAOYSA-N 0 0 405.325 5.101 40 0 HKABRN COc1ccc(OC)c(/C=C2\N=C(c3sc4cc(C)ccc4c3Cl)OC2=O)c1 ZINC000408971050 560659702 /nfs/dbraw/zinc/65/97/02/560659702.db2.gz GJWMGSMFMSOTDF-GDNBJRDFSA-N 0 0 413.882 5.225 40 0 HKABRN CCOc1ccc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 ZINC000408971051 558798071 /nfs/dbraw/zinc/79/80/71/558798071.db2.gz GJYURMFFCIAQGY-UHFFFAOYSA-N 0 0 400.714 6.513 40 0 HKABRN COc1ccc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1Cl ZINC000408971369 558799290 /nfs/dbraw/zinc/79/92/90/558799290.db2.gz JERGCMUYTISANH-UHFFFAOYSA-N 0 0 421.132 6.776 40 0 HKABRN COc1ccc2c(Cl)c(C3=N/C(=C\c4cccs4)C(=O)O3)sc2c1Cl ZINC000408971501 558799818 /nfs/dbraw/zinc/79/98/18/558799818.db2.gz GQGUQDQFPFSPQI-YFHOEESVSA-N 0 0 410.303 5.623 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000408971530 560659096 /nfs/dbraw/zinc/65/90/96/560659096.db2.gz HUWXVFWGWWIJMR-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN Cc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)sc2c1 ZINC000408971706 560659191 /nfs/dbraw/zinc/65/91/91/560659191.db2.gz JVSJUJBXJKRKPU-UHFFFAOYSA-N 0 0 404.240 6.788 40 0 HKABRN CCOc1ccc(/C=C2\N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)cc1 ZINC000408971755 560659176 /nfs/dbraw/zinc/65/91/76/560659176.db2.gz KRJHVMAWONOQHF-DHDCSXOGSA-N 0 0 418.301 5.951 40 0 HKABRN Cc1ccc(/C=C2\N=C(c3sc4cc(Cl)cc(Cl)c4c3Cl)OC2=O)cc1 ZINC000408971759 560659205 /nfs/dbraw/zinc/65/92/05/560659205.db2.gz KUDRGSFGDMSOBB-MLPAPPSSSA-N 0 0 422.720 6.514 40 0 HKABRN O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C\c1ccccc1Cl ZINC000408971867 558800552 /nfs/dbraw/zinc/80/05/52/558800552.db2.gz MQBAIDGVEBJYQQ-QPEQYQDCSA-N 0 0 408.693 6.206 40 0 HKABRN O=C(Nc1ccccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000408971878 558800546 /nfs/dbraw/zinc/80/05/46/558800546.db2.gz LJXPLYLYWOHLEF-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN COc1ccccc1/C=C1\N=C(c2sc3cc(Cl)ccc3c2Cl)OC1=O ZINC000408971915 560659173 /nfs/dbraw/zinc/65/91/73/560659173.db2.gz LXJUWIFQWFFVEB-JYRVWZFOSA-N 0 0 404.274 5.561 40 0 HKABRN Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1C ZINC000408971935 560659169 /nfs/dbraw/zinc/65/91/69/560659169.db2.gz MHVKXOMGSBBLEQ-UHFFFAOYSA-N 0 0 405.325 5.101 40 0 HKABRN COc1ccc2c(Cl)c(C(=O)Nc3cc(Cl)ccc3C)sc2c1Cl ZINC000408972068 560659226 /nfs/dbraw/zinc/65/92/26/560659226.db2.gz PPFAPANUDWDRRB-UHFFFAOYSA-N 0 0 400.714 6.431 40 0 HKABRN CC(C)c1ccc(/C=C2\N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)cc1 ZINC000408972144 558803933 /nfs/dbraw/zinc/80/39/33/558803933.db2.gz SRNBFSZEQCSVAB-SXGWCWSVSA-N 0 0 416.329 6.676 40 0 HKABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2ccccc2)CC1 ZINC000408972501 558808829 /nfs/dbraw/zinc/80/88/29/558808829.db2.gz UOSDWXKINABWST-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000408972718 558809847 /nfs/dbraw/zinc/80/98/47/558809847.db2.gz VLCXSZBKXIFNHS-UHFFFAOYSA-N 0 0 405.133 7.076 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000408972724 560660790 /nfs/dbraw/zinc/66/07/90/560660790.db2.gz VQYNDKNGTFCWAB-UHFFFAOYSA-N 0 0 405.133 7.076 40 0 HKABRN COc1ccc2c(Cl)c(C(=O)Nc3cc(Cl)ccc3Cl)sc2c1Cl ZINC000408972742 560660825 /nfs/dbraw/zinc/66/08/25/560660825.db2.gz WFAXPTYSABXWPJ-UHFFFAOYSA-N 0 0 421.132 6.776 40 0 HKABRN COc1cc(/C=C2\N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)ccc1C ZINC000408972799 558809804 /nfs/dbraw/zinc/80/98/04/558809804.db2.gz VOEQMCSPJSFXGT-AUWJEWJLSA-N 0 0 418.301 5.870 40 0 HKABRN Cc1cc(C)cc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1 ZINC000408972854 560660812 /nfs/dbraw/zinc/66/08/12/560660812.db2.gz WFUVUCPOSRJZOH-UHFFFAOYSA-N 0 0 405.325 5.101 40 0 HKABRN CSc1ccc(/C=C2/SC(=O)N(CNc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408972872 568509890 /nfs/dbraw/zinc/50/98/90/568509890.db2.gz HAEYVYNVHGCTKH-CXUHLZMHSA-N 0 0 424.469 5.533 40 0 HKABRN Cc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000408972907 560660903 /nfs/dbraw/zinc/66/09/03/560660903.db2.gz HOXKUGSTIOZUAX-RUZDIDTESA-N 0 0 416.546 5.064 40 0 HKABRN Cc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000408972909 560660853 /nfs/dbraw/zinc/66/08/53/560660853.db2.gz HOXKUGSTIOZUAX-VWLOTQADSA-N 0 0 416.546 5.064 40 0 HKABRN O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1cccc2ccccc12 ZINC000408973041 558810690 /nfs/dbraw/zinc/81/06/90/558810690.db2.gz XXWIXHBSFUKSCB-LICLKQGHSA-N 0 0 424.308 6.706 40 0 HKABRN COc1ccc2c(Cl)c(C(=O)Nc3cccc4ccccc43)sc2c1Cl ZINC000408973194 560659833 /nfs/dbraw/zinc/65/98/33/560659833.db2.gz XJHMVKDKWBPWEH-UHFFFAOYSA-N 0 0 402.302 6.622 40 0 HKABRN Cc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000408973204 558810712 /nfs/dbraw/zinc/81/07/12/558810712.db2.gz KGBKYXNNFMRJDL-RUZDIDTESA-N 0 0 416.546 5.064 40 0 HKABRN Cc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000408973206 558810678 /nfs/dbraw/zinc/81/06/78/558810678.db2.gz KGBKYXNNFMRJDL-VWLOTQADSA-N 0 0 416.546 5.064 40 0 HKABRN Cc1ccc2c(Cl)c(C3=N/C(=C/c4cccc5ccccc45)C(=O)O3)sc2c1 ZINC000408973210 560659801 /nfs/dbraw/zinc/65/98/01/560659801.db2.gz XNFUQNNIVKGNOX-LDADJPATSA-N 0 0 403.890 6.361 40 0 HKABRN O=C(Nc1cccc2ccccc21)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000408973293 560659791 /nfs/dbraw/zinc/65/97/91/560659791.db2.gz YEUGNOWTFCRMFZ-UHFFFAOYSA-N 0 0 406.721 7.267 40 0 HKABRN COc1ccc(NC(=O)c2sc3c(ccc(OC)c3Cl)c2Cl)cc1Cl ZINC000408973545 560659902 /nfs/dbraw/zinc/65/99/02/560659902.db2.gz UEARCRRGGRBNES-UHFFFAOYSA-N 0 0 416.713 6.131 40 0 HKABRN O=C(Nc1ccccc1C(F)(F)F)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000408973583 558811073 /nfs/dbraw/zinc/81/10/73/558811073.db2.gz ZBRIUYXCWFUWQB-UHFFFAOYSA-N 0 0 424.658 7.133 40 0 HKABRN CCCCCCC(=O)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000408973758 558811301 /nfs/dbraw/zinc/81/13/01/558811301.db2.gz BLNQTGJLEKMZFA-UHFFFAOYSA-N 0 0 409.533 6.873 40 0 HKABRN O=C(Nc1ccc2ccccc2c1)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000408973767 558811289 /nfs/dbraw/zinc/81/12/89/558811289.db2.gz UXYSUYDUGOEFMU-UHFFFAOYSA-N 0 0 406.721 7.267 40 0 HKABRN O=C(Nc1ccc(N2Cc3ccccc3C2)cc1)c1sc2ccccc2c1Cl ZINC000408973987 560659856 /nfs/dbraw/zinc/65/98/56/560659856.db2.gz SSOBIMLQMMNOBN-UHFFFAOYSA-N 0 0 404.922 6.327 40 0 HKABRN CC(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000408974079 558813214 /nfs/dbraw/zinc/81/32/14/558813214.db2.gz WXOXKKKKCZFCOV-UHFFFAOYSA-N 0 0 419.352 5.608 40 0 HKABRN COc1cccc(/C=C2\N=C(c3sc4cc(C)ccc4c3Cl)OC2=O)c1OC ZINC000408974084 560659870 /nfs/dbraw/zinc/65/98/70/560659870.db2.gz WZBAHPBIVQJJAT-UVTDQMKNSA-N 0 0 413.882 5.225 40 0 HKABRN COc1ccc2c(Cl)c(C(=O)Nc3cccc(Cl)c3C)sc2c1Cl ZINC000408974105 560659900 /nfs/dbraw/zinc/65/99/00/560659900.db2.gz XFEDEFCFQNDELI-UHFFFAOYSA-N 0 0 400.714 6.431 40 0 HKABRN COc1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408974177 560659867 /nfs/dbraw/zinc/65/98/67/560659867.db2.gz WLLGRZBTZJIFRK-LZYBPNLTSA-N 0 0 409.294 5.108 40 0 HKABRN COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc2sc(=O)oc21 ZINC000408974200 560659881 /nfs/dbraw/zinc/65/98/81/560659881.db2.gz DHKJJHFLNAZQCM-UHFFFAOYSA-N 0 0 400.459 5.587 40 0 HKABRN CCCCCCC(=O)Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000408974281 558813477 /nfs/dbraw/zinc/81/34/77/558813477.db2.gz DUNAZCYJIQQQON-UHFFFAOYSA-N 0 0 410.517 6.840 40 0 HKABRN COc1ccc2c(Cl)c(C(=O)Nc3cc(Cl)cc(Cl)c3)sc2c1Cl ZINC000408974555 560660001 /nfs/dbraw/zinc/66/00/01/560660001.db2.gz ZRAVCJAQSPFXKN-UHFFFAOYSA-N 0 0 421.132 6.776 40 0 HKABRN Fc1ccccc1COc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 ZINC000408974747 560660003 /nfs/dbraw/zinc/66/00/03/560660003.db2.gz DCOPKXHZXFSIAB-UHFFFAOYSA-N 0 0 420.487 7.129 40 0 HKABRN Cc1ccc(C(=O)Oc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 ZINC000408975073 558813460 /nfs/dbraw/zinc/81/34/60/558813460.db2.gz JPCQABHQMGTSBA-UHFFFAOYSA-N 0 0 416.480 6.491 40 0 HKABRN O=C(Cc1ccccc1)Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000408975224 558813463 /nfs/dbraw/zinc/81/34/63/558813463.db2.gz KREUTUQBANPPJD-UHFFFAOYSA-N 0 0 416.480 6.112 40 0 HKABRN CC1CCN(C(=O)c2ccc3nc(-c4cccs4)c(-c4cccs4)nc3c2)CC1 ZINC000408975339 560660216 /nfs/dbraw/zinc/66/02/16/560660216.db2.gz AMDCKDIPJVQOHF-UHFFFAOYSA-N 0 0 419.575 5.959 40 0 HKABRN O=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)NC1CCCCC1 ZINC000408975340 558813466 /nfs/dbraw/zinc/81/34/66/558813466.db2.gz AMNNPLSKHFLCPK-UHFFFAOYSA-N 0 0 424.508 5.208 40 0 HKABRN COc1ccccc1NC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000408975381 560660245 /nfs/dbraw/zinc/66/02/45/560660245.db2.gz AWKSIIUKENKLJF-UHFFFAOYSA-N 0 0 411.417 5.411 40 0 HKABRN CC(C)N(C(=O)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)C(C)C ZINC000408975392 560660198 /nfs/dbraw/zinc/66/01/98/560660198.db2.gz BAHDQCUIHUSXAU-UHFFFAOYSA-N 0 0 402.502 5.271 40 0 HKABRN O=c1/c(=C/c2ccccc2Cl)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 ZINC000408975491 558813613 /nfs/dbraw/zinc/81/36/13/558813613.db2.gz MGERYZAIEKRKRM-HKWRFOASSA-N 0 0 414.917 5.291 40 0 HKABRN COc1ccccc1C(=O)Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c21 ZINC000408975558 558813610 /nfs/dbraw/zinc/81/36/10/558813610.db2.gz MZYBHPGVVJAOFZ-UHFFFAOYSA-N 0 0 401.378 5.004 40 0 HKABRN O=C(Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccccc1 ZINC000408975599 560660262 /nfs/dbraw/zinc/66/02/62/560660262.db2.gz NRZMXXIDIHWBIV-UHFFFAOYSA-N 0 0 402.453 6.183 40 0 HKABRN CCOc1ccc(NC(=O)c2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 ZINC000408975605 560660308 /nfs/dbraw/zinc/66/03/08/560660308.db2.gz BDKWUVOXBHIHLJ-UHFFFAOYSA-N 0 0 423.476 5.271 40 0 HKABRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408975616 560660303 /nfs/dbraw/zinc/66/03/03/560660303.db2.gz BHVNCSCDXQCLAB-INIZCTEOSA-N 0 0 419.488 5.211 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411.509 5.013 40 0 HKABRN S=C(NCc1ccco1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000408977091 560660626 /nfs/dbraw/zinc/66/06/26/560660626.db2.gz CXVNFEIULRQOOJ-UHFFFAOYSA-N 0 0 416.462 5.229 40 0 HKABRN COc1ccc(NC(=O)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 ZINC000408977187 558822562 /nfs/dbraw/zinc/82/25/62/558822562.db2.gz HQSHOQHRVVFODC-UHFFFAOYSA-N 0 0 424.464 5.273 40 0 HKABRN CN(C(=O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)c1ccccc1 ZINC000408977317 558822737 /nfs/dbraw/zinc/82/27/37/558822737.db2.gz IFXDTUBUCUGYFX-UHFFFAOYSA-N 0 0 417.472 5.030 40 0 HKABRN CN(C(=O)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)c1ccccc1 ZINC000408977394 558822709 /nfs/dbraw/zinc/82/27/09/558822709.db2.gz IRENTCARYZFOHD-UHFFFAOYSA-N 0 0 408.465 5.288 40 0 HKABRN COc1cccc(NC(=O)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)c1 ZINC000408977406 558822725 /nfs/dbraw/zinc/82/27/25/558822725.db2.gz ISZUXCAAJVBHMR-UHFFFAOYSA-N 0 0 424.464 5.273 40 0 HKABRN CC(C)(C)NC(=O)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000408977476 560660673 /nfs/dbraw/zinc/66/06/73/560660673.db2.gz DPVGUWCCLCFBLV-UHFFFAOYSA-N 0 0 408.552 6.007 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 ZINC000408977511 560660671 /nfs/dbraw/zinc/66/06/71/560660671.db2.gz WCNMOLBTKYAQBW-UHFFFAOYSA-N 0 0 415.496 6.525 40 0 HKABRN Cc1ccc(NC(=O)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1C ZINC000408977635 558822885 /nfs/dbraw/zinc/82/28/85/558822885.db2.gz JGZQMHPZQVEPJJ-UHFFFAOYSA-N 0 0 422.492 5.881 40 0 HKABRN Cc1ccc2nc(NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)sc2c1 ZINC000408977786 560660704 /nfs/dbraw/zinc/66/07/04/560660704.db2.gz FOOZNCBEZRVHML-FQEVSTJZSA-N 0 0 415.518 5.105 40 0 HKABRN Cc1ccc2nc(NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)sc2c1 ZINC000408977787 560660708 /nfs/dbraw/zinc/66/07/08/560660708.db2.gz FOOZNCBEZRVHML-HXUWFJFHSA-N 0 0 415.518 5.105 40 0 HKABRN O=C(c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCSCC1 ZINC000408977872 560660667 /nfs/dbraw/zinc/66/06/67/560660667.db2.gz KIIPXNLKDSLAEH-UHFFFAOYSA-N 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NSMWWBNFJMCYSV-OZYICTPTSA-N 0 0 424.865 5.384 40 0 HKABRN S=C(NCc1ccccc1)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408978870 558824811 /nfs/dbraw/zinc/82/48/11/558824811.db2.gz NZNQRGZJEYQTAC-UHFFFAOYSA-N 0 0 424.533 5.107 40 0 HKABRN CN(C)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 ZINC000408978873 558824892 /nfs/dbraw/zinc/82/48/92/558824892.db2.gz OAROPAQKZBFQAC-UHFFFAOYSA-N 0 0 424.460 5.468 40 0 HKABRN O=C(c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCCCC1 ZINC000408978881 558824980 /nfs/dbraw/zinc/82/49/80/558824980.db2.gz OCRCDSJDYCTFOJ-UHFFFAOYSA-N 0 0 405.548 5.713 40 0 HKABRN S=C(Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CCCCCC1 ZINC000408978902 558824918 /nfs/dbraw/zinc/82/49/18/558824918.db2.gz OJJJUYANUXUOEW-UHFFFAOYSA-N 0 0 416.554 5.193 40 0 HKABRN CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 ZINC000408978927 558825142 /nfs/dbraw/zinc/82/51/42/558825142.db2.gz OTVZPYZLQZMRMR-UHFFFAOYSA-N 0 0 421.460 5.075 40 0 HKABRN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408979115 560661323 /nfs/dbraw/zinc/66/13/23/560661323.db2.gz LKPBYSJFYWVOMY-FQEVSTJZSA-N 0 0 413.304 5.493 40 0 HKABRN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408979116 560661276 /nfs/dbraw/zinc/66/12/76/560661276.db2.gz LKPBYSJFYWVOMY-HXUWFJFHSA-N 0 0 413.304 5.493 40 0 HKABRN O=C(NCCC1=CCCCC1)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408979154 560661328 /nfs/dbraw/zinc/66/13/28/560661328.db2.gz PFEJODWLOCVRQF-UHFFFAOYSA-N 0 0 411.509 5.240 40 0 HKABRN CCCN(CCC)C(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000408979212 560661317 /nfs/dbraw/zinc/66/13/17/560661317.db2.gz QBGXOWIOZUKCRL-UHFFFAOYSA-N 0 0 421.591 6.349 40 0 HKABRN O=C(Nc1ccccc1)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000408979222 560661320 /nfs/dbraw/zinc/66/13/20/560661320.db2.gz QDWIPUNWKBZWBH-UHFFFAOYSA-N 0 0 403.445 5.006 40 0 HKABRN Cc1ccc(NC(=S)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 ZINC000408979430 560661343 /nfs/dbraw/zinc/66/13/43/560661343.db2.gz QOCRNIVKJSHTQP-UHFFFAOYSA-N 0 0 424.533 5.737 40 0 HKABRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000408979447 560661332 /nfs/dbraw/zinc/66/13/32/560661332.db2.gz QPPKZMCWRAXXHS-INIZCTEOSA-N 0 0 421.456 5.741 40 0 HKABRN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000408979451 560661308 /nfs/dbraw/zinc/66/13/08/560661308.db2.gz QPPKZMCWRAXXHS-MRXNPFEDSA-N 0 0 421.456 5.741 40 0 HKABRN CCN(CC)C(=O)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000408979673 560661305 /nfs/dbraw/zinc/66/13/05/560661305.db2.gz NYGYPTIMIVASIU-UHFFFAOYSA-N 0 0 408.552 5.961 40 0 HKABRN Cc1ccc(N(C)C(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1C ZINC000408979772 560661430 /nfs/dbraw/zinc/66/14/30/560661430.db2.gz SDVMTYIJNIUNPV-UHFFFAOYSA-N 0 0 423.472 6.043 40 0 HKABRN Cc1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1C ZINC000408980119 560661411 /nfs/dbraw/zinc/66/14/11/560661411.db2.gz VETYCSCBANCWSO-UHFFFAOYSA-N 0 0 409.445 6.019 40 0 HKABRN O=C(Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)NC1CCCCC1 ZINC000408980455 558825978 /nfs/dbraw/zinc/82/59/78/558825978.db2.gz WQPLIUOSXPKGNP-UHFFFAOYSA-N 0 0 400.486 5.074 40 0 HKABRN CC(C)NC(=S)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000408980481 560661434 /nfs/dbraw/zinc/66/14/34/560661434.db2.gz RGJKVVPDLNZLTR-UHFFFAOYSA-N 0 0 410.593 5.782 40 0 HKABRN COc1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 ZINC000408980767 560660868 /nfs/dbraw/zinc/66/08/68/560660868.db2.gz XGKWYBQIEKVCKU-UHFFFAOYSA-N 0 0 411.417 5.411 40 0 HKABRN Cc1ccc(NC(=O)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 ZINC000408980795 560660860 /nfs/dbraw/zinc/66/08/60/560660860.db2.gz XRRBUDIUBLCNEM-UHFFFAOYSA-N 0 0 408.465 5.572 40 0 HKABRN S=C(Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)NC1CCCCC1 ZINC000408980800 560660867 /nfs/dbraw/zinc/66/08/67/560660867.db2.gz XTUVPDNKJUZOAJ-UHFFFAOYSA-N 0 0 416.554 5.239 40 0 HKABRN Cc1ccc(OC(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1 ZINC000408980828 558826775 /nfs/dbraw/zinc/82/67/75/558826775.db2.gz YDUDLVXRGIFLBX-UHFFFAOYSA-N 0 0 418.456 5.281 40 0 HKABRN O=C(Nc1ccc(F)cc1)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000408981060 558826902 /nfs/dbraw/zinc/82/69/02/558826902.db2.gz YPHRLNJYEHEWPY-UHFFFAOYSA-N 0 0 421.435 5.145 40 0 HKABRN O=C(Nc1ccccc1)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000408981066 560660887 /nfs/dbraw/zinc/66/08/87/560660887.db2.gz YSHJRWCTCBHMHS-UHFFFAOYSA-N 0 0 418.460 5.398 40 0 HKABRN O=C(Nc1nncs1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000408981097 558826952 /nfs/dbraw/zinc/82/69/52/558826952.db2.gz ZDRYEHRXGWFDQY-UHFFFAOYSA-N 0 0 421.532 5.191 40 0 HKABRN CC(C)N(C(=S)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(C)C ZINC000408981199 560661034 /nfs/dbraw/zinc/66/10/34/560661034.db2.gz VFCHXFQTGPIMPW-UHFFFAOYSA-N 0 0 420.538 5.965 40 0 HKABRN Cc1cccc(C2=N/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)C(=O)O2)c1 ZINC000408983212 558834563 /nfs/dbraw/zinc/83/45/63/558834563.db2.gz GFYCVMWYCQLPOX-STZFKDTASA-N 0 0 417.848 5.212 40 0 HKABRN CCCCCCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OC ZINC000408983213 560661229 /nfs/dbraw/zinc/66/12/29/560661229.db2.gz GFZUXMZCZCFQPC-HMMYKYKNSA-N 0 0 409.482 5.007 40 0 HKABRN Cc1cccc(C2=N/C(=C/c3ccc(OC(=O)c4ccccc4Cl)cc3)C(=O)O2)c1 ZINC000408983598 560661231 /nfs/dbraw/zinc/66/12/31/560661231.db2.gz GTKBXNJZBGGPEN-KGENOOAVSA-N 0 0 417.848 5.212 40 0 HKABRN CCCCCCOc1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1OCC ZINC000408984040 560661971 /nfs/dbraw/zinc/66/19/71/560661971.db2.gz HUFKKJOBLMHUTL-PGMHBOJBSA-N 0 0 407.510 5.697 40 0 HKABRN CCCOc1ccc2ccccc2c1-c1nc(=O)c2c3c(sc2[nH]1)CCCCC3 ZINC000408985175 560661489 /nfs/dbraw/zinc/66/14/89/560661489.db2.gz ACEDWOYFIZGCIS-UHFFFAOYSA-N 0 0 404.535 6.275 40 0 HKABRN CCOC(=O)C1=C(C)NC(SCC(C)C)=N[C@H]1c1cccc(Cl)c1Cl ZINC000408985799 558837828 /nfs/dbraw/zinc/83/78/28/558837828.db2.gz AZVAMZHHFMVRPO-INIZCTEOSA-N 0 0 401.359 5.220 40 0 HKABRN CCOC(=O)C1=C(C)NC(SCC(C)C)=N[C@@H]1c1cccc(Cl)c1Cl ZINC000408985800 558837887 /nfs/dbraw/zinc/83/78/87/558837887.db2.gz AZVAMZHHFMVRPO-MRXNPFEDSA-N 0 0 401.359 5.220 40 0 HKABRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)N=C(SCc2ccccc2)N1 ZINC000408985916 560661660 /nfs/dbraw/zinc/66/16/60/560661660.db2.gz BLMYRQGAZOCLKP-HSZRJFAPSA-N 0 0 413.546 5.533 40 0 HKABRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)N=C(SCc2ccccc2)N1 ZINC000408985920 560661649 /nfs/dbraw/zinc/66/16/49/560661649.db2.gz BLMYRQGAZOCLKP-QHCPKHFHSA-N 0 0 413.546 5.533 40 0 HKABRN CCOc1ccc2ccccc2c1-c1nc(=O)c2c3c(sc2[nH]1)CCCCCC3 ZINC000408986403 558837855 /nfs/dbraw/zinc/83/78/55/558837855.db2.gz CEHBHUREQFUHMB-UHFFFAOYSA-N 0 0 404.535 6.275 40 0 HKABRN CC(C)(C)c1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc(C(C)(C)C)c1O ZINC000408986678 560661718 /nfs/dbraw/zinc/66/17/18/560661718.db2.gz SKIKDNPJWNANJY-UHFFFAOYSA-N 0 0 424.610 6.633 40 0 HKABRN CC(C)(C)c1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc(C(C)(C)C)c1O ZINC000408987017 560661772 /nfs/dbraw/zinc/66/17/72/560661772.db2.gz UPLNVFYSQOVHMQ-UHFFFAOYSA-N 0 0 410.583 6.243 40 0 HKABRN CN(C)c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1Br ZINC000408987190 560661779 /nfs/dbraw/zinc/66/17/79/560661779.db2.gz DZRHDFNPPVSBNZ-UHFFFAOYSA-N 0 0 418.360 5.161 40 0 HKABRN COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(C)N32)ccc1C ZINC000408987270 560661782 /nfs/dbraw/zinc/66/17/82/560661782.db2.gz FLLPTWDWPBQHOT-NRFANRHFSA-N 0 0 405.523 5.237 40 0 HKABRN COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(C)N32)ccc1C ZINC000408987271 560661751 /nfs/dbraw/zinc/66/17/51/560661751.db2.gz FLLPTWDWPBQHOT-OAQYLSRUSA-N 0 0 405.523 5.237 40 0 HKABRN CCOC(=O)C1=C(C)NC(SCc2cccc(C)c2)=N[C@@H]1c1ccccc1OCC ZINC000408987499 558839073 /nfs/dbraw/zinc/83/90/73/558839073.db2.gz FNDUGEQPIQSALJ-JOCHJYFZSA-N 0 0 424.566 5.165 40 0 HKABRN CCOC(=O)C1=C(C)NC(SCc2cccc(C)c2)=N[C@H]1c1ccccc1OCC ZINC000408987502 558838985 /nfs/dbraw/zinc/83/89/85/558838985.db2.gz FNDUGEQPIQSALJ-QFIPXVFZSA-N 0 0 424.566 5.165 40 0 HKABRN CCCCOc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCCC4)c2ccccc12 ZINC000408987571 560661838 /nfs/dbraw/zinc/66/18/38/560661838.db2.gz FTUFWTTUTCZUTN-UHFFFAOYSA-N 0 0 418.562 6.665 40 0 HKABRN COc1cc([C@@H]2N=C(SC(C)C)NC(C)=C2C(=O)Nc2ccccc2)ccc1C ZINC000408988494 558840891 /nfs/dbraw/zinc/84/08/91/558840891.db2.gz ICQLCBYRDPGOEQ-NRFANRHFSA-N 0 0 409.555 5.058 40 0 HKABRN COc1cc([C@H]2N=C(SC(C)C)NC(C)=C2C(=O)Nc2ccccc2)ccc1C ZINC000408988497 560661981 /nfs/dbraw/zinc/66/19/81/560661981.db2.gz ICQLCBYRDPGOEQ-OAQYLSRUSA-N 0 0 409.555 5.058 40 0 HKABRN O=c1nc(-c2ccccc2OCc2ccccc2)[nH]c2sc3c(c21)CCCCC3 ZINC000408988546 560661990 /nfs/dbraw/zinc/66/19/90/560661990.db2.gz IIKUSMJXCFFBAT-UHFFFAOYSA-N 0 0 402.519 5.912 40 0 HKABRN CCCOc1ccc2ccccc2c1-c1nc(=O)c2c3c(sc2[nH]1)CCCCCC3 ZINC000408988643 558841173 /nfs/dbraw/zinc/84/11/73/558841173.db2.gz IQISEDDDUWHHHO-UHFFFAOYSA-N 0 0 418.562 6.665 40 0 HKABRN Cc1cccc(C2=N/C(=C/c3ccc(OC(=O)c4cccc(Cl)c4)cc3)C(=O)O2)c1 ZINC000408988930 558841261 /nfs/dbraw/zinc/84/12/61/558841261.db2.gz SEMCDJYNMKXVOQ-FYJGNVAPSA-N 0 0 417.848 5.212 40 0 HKABRN CCC1=CSC2=NC(C)=C(C(=O)Nc3ccccc3)[C@@H](c3ccc(C)c(OC)c3)N12 ZINC000408989019 558841479 /nfs/dbraw/zinc/84/14/79/558841479.db2.gz JIISWQMNRWBREW-JOCHJYFZSA-N 0 0 419.550 5.627 40 0 HKABRN CCC1=CSC2=NC(C)=C(C(=O)Nc3ccccc3)[C@H](c3ccc(C)c(OC)c3)N12 ZINC000408989021 560661730 /nfs/dbraw/zinc/66/17/30/560661730.db2.gz JIISWQMNRWBREW-QFIPXVFZSA-N 0 0 419.550 5.627 40 0 HKABRN CCOC(=O)C1=C(C)N=C2SC=C(c3ccccc3)N2[C@@H]1c1ccccc1OCC ZINC000408989023 558841484 /nfs/dbraw/zinc/84/14/84/558841484.db2.gz JJUYMHTXOUMSMP-JOCHJYFZSA-N 0 0 420.534 5.381 40 0 HKABRN CCOC(=O)C1=C(C)N=C2SC=C(c3ccccc3)N2[C@H]1c1ccccc1OCC ZINC000408989024 560661728 /nfs/dbraw/zinc/66/17/28/560661728.db2.gz JJUYMHTXOUMSMP-QFIPXVFZSA-N 0 0 420.534 5.381 40 0 HKABRN CCCCSC1=N[C@H](c2ccc(C)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408989044 558841476 /nfs/dbraw/zinc/84/14/76/558841476.db2.gz JMEFPOFTEVBBQT-JOCHJYFZSA-N 0 0 423.582 5.450 40 0 HKABRN CCCCSC1=N[C@@H](c2ccc(C)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408989047 560662530 /nfs/dbraw/zinc/66/25/30/560662530.db2.gz JMEFPOFTEVBBQT-QFIPXVFZSA-N 0 0 423.582 5.450 40 0 HKABRN O=c1nc(-c2ccccc2OCc2ccccc2)[nH]c2sc3c(c21)CCCCCC3 ZINC000408989062 558841443 /nfs/dbraw/zinc/84/14/43/558841443.db2.gz JPVQPUYZWYHLNI-UHFFFAOYSA-N 0 0 416.546 6.302 40 0 HKABRN CCCCCCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OCC ZINC000408989191 560662537 /nfs/dbraw/zinc/66/25/37/560662537.db2.gz SJXUOOKCLNJAMQ-LTGZKZEYSA-N 0 0 423.509 5.398 40 0 HKABRN O=C1OC(c2ccccc2)=N/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408989687 560662095 /nfs/dbraw/zinc/66/20/95/560662095.db2.gz VDUGJJAOHLQJKF-CIAFOILYSA-N 0 0 424.283 5.917 40 0 HKABRN Cc1sc2nc(-c3ccc(Sc4nc5ccccc5s4)o3)[nH]c(=O)c2c1C ZINC000408989878 558842346 /nfs/dbraw/zinc/84/23/46/558842346.db2.gz JFGIHVWPUHFWAA-UHFFFAOYSA-N 0 0 411.533 6.035 40 0 HKABRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)N2C(c3ccccc3)=CSC2=N1 ZINC000408990178 558843324 /nfs/dbraw/zinc/84/33/24/558843324.db2.gz NCMYBYVEPHPNOP-DEOSSOPVSA-N 0 0 423.541 6.057 40 0 HKABRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)N2C(c3ccccc3)=CSC2=N1 ZINC000408990179 558843294 /nfs/dbraw/zinc/84/32/94/558843294.db2.gz NCMYBYVEPHPNOP-XMMPIXPASA-N 0 0 423.541 6.057 40 0 HKABRN COc1cc(Cl)c(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc1OC ZINC000408990545 560662170 /nfs/dbraw/zinc/66/21/70/560662170.db2.gz NYDBEXGSHMWOIP-UHFFFAOYSA-N 0 0 404.919 5.394 40 0 HKABRN O=c1[nH]c(-c2ccc(OCc3ccccc3)cc2)nc2sc3c(c21)CCCCCC3 ZINC000408990550 558846545 /nfs/dbraw/zinc/84/65/45/558846545.db2.gz OAAIHRKBWGPUBA-UHFFFAOYSA-N 0 0 416.546 6.302 40 0 HKABRN COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc1Br ZINC000408990614 560662124 /nfs/dbraw/zinc/66/21/24/560662124.db2.gz OFPVLPPZQPLWRT-UHFFFAOYSA-N 0 0 419.344 5.494 40 0 HKABRN Cc1cccc(COc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCCC5)cc2)c1 ZINC000408990931 558848371 /nfs/dbraw/zinc/84/83/71/558848371.db2.gz PBYAWCQQLRZUPW-UHFFFAOYSA-N 0 0 416.546 6.220 40 0 HKABRN CCCCCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OCC ZINC000408991130 560662324 /nfs/dbraw/zinc/66/23/24/560662324.db2.gz ZEPPAWMVGXLPDP-HMMYKYKNSA-N 0 0 409.482 5.007 40 0 HKABRN Cc1cccc(C2=N/C(=C\c3cccc(OC(=O)c4cccc(Cl)c4)c3)C(=O)O2)c1 ZINC000408991253 560662306 /nfs/dbraw/zinc/66/23/06/560662306.db2.gz ZLQNVUWRJWVTFO-BKUYFWCQSA-N 0 0 417.848 5.212 40 0 HKABRN CCCCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc1OC ZINC000408991692 558851919 /nfs/dbraw/zinc/85/19/19/558851919.db2.gz QXUFOKSNDNMMKQ-UHFFFAOYSA-N 0 0 412.555 5.910 40 0 HKABRN O=c1[nH]c(-c2ccc(OCc3ccccc3)cc2)nc2sc3c(c21)CCCCC3 ZINC000408992676 560662101 /nfs/dbraw/zinc/66/21/01/560662101.db2.gz UPKDHWOSAJYQAQ-UHFFFAOYSA-N 0 0 402.519 5.912 40 0 HKABRN O=c1[nH]c(-c2ccc(OCc3ccc(F)cc3)cc2)nc2sc3c(c21)CCCCC3 ZINC000408992901 558852253 /nfs/dbraw/zinc/85/22/53/558852253.db2.gz UXSAZWVMOVWHFL-UHFFFAOYSA-N 0 0 420.509 6.051 40 0 HKABRN O=c1[nH]c(-c2ccc(OCc3cccc(F)c3)cc2)nc2sc3c(c21)CCCCC3 ZINC000408993934 560663018 /nfs/dbraw/zinc/66/30/18/560663018.db2.gz XORPNIAQLNKJTJ-UHFFFAOYSA-N 0 0 420.509 6.051 40 0 HKABRN C=C1[NH+]=C(SCc2c(C)cc(C)cc2C)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408993969 558852752 /nfs/dbraw/zinc/85/27/52/558852752.db2.gz XSINZQXHBLYDGU-JOCHJYFZSA-N 0 0 408.567 5.383 40 0 HKABRN C=C1[NH+]=C(SCc2c(C)cc(C)cc2C)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408993971 558852778 /nfs/dbraw/zinc/85/27/78/558852778.db2.gz XSINZQXHBLYDGU-QFIPXVFZSA-N 0 0 408.567 5.383 40 0 HKABRN CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Br)c(C)c2)cc1 ZINC000408997895 560662728 /nfs/dbraw/zinc/66/27/28/560662728.db2.gz PAOIFALKSSUCQX-JOCHJYFZSA-N 0 0 421.338 6.091 40 0 HKABRN CCc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Br)c(C)c2)cc1 ZINC000408997896 560662712 /nfs/dbraw/zinc/66/27/12/560662712.db2.gz PAOIFALKSSUCQX-QFIPXVFZSA-N 0 0 421.338 6.091 40 0 HKABRN O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000408999879 560663696 /nfs/dbraw/zinc/66/36/96/560663696.db2.gz SSVPWGIFRDBVLW-NRFANRHFSA-N 0 0 414.461 5.326 40 0 HKABRN O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000408999881 558854189 /nfs/dbraw/zinc/85/41/89/558854189.db2.gz SSVPWGIFRDBVLW-OAQYLSRUSA-N 0 0 414.461 5.326 40 0 HKABRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000409000017 558854352 /nfs/dbraw/zinc/85/43/52/558854352.db2.gz DMNXLIHGFSQMFO-QHCPKHFHSA-N 0 0 402.494 5.243 40 0 HKABRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000409000051 560663687 /nfs/dbraw/zinc/66/36/87/560663687.db2.gz DNKLJBPEFVEIOB-QHCPKHFHSA-N 0 0 416.477 5.476 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000409000056 558854329 /nfs/dbraw/zinc/85/43/29/558854329.db2.gz DNMAEWFZOZCGIX-QFIPXVFZSA-N 0 0 422.912 5.125 40 0 HKABRN Cc1c(F)cccc1NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C ZINC000409000480 560663783 /nfs/dbraw/zinc/66/37/83/560663783.db2.gz WVYAONXKWSJOFY-DEOSSOPVSA-N 0 0 418.512 5.046 40 0 HKABRN CCOC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccccc1 ZINC000409001536 558855584 /nfs/dbraw/zinc/85/55/84/558855584.db2.gz IZOSIVNZQHWHCV-FQEVSTJZSA-N 0 0 402.450 5.402 40 0 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ZINC000409002387 560664093 /nfs/dbraw/zinc/66/40/93/560664093.db2.gz NOLKSKMROHKAHE-JOCHJYFZSA-N 0 0 420.887 5.232 40 0 HKABRN CC(C)(C)c1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@]2(O)C(C)(F)F)cc1 ZINC000409002390 560664055 /nfs/dbraw/zinc/66/40/55/560664055.db2.gz NOLKSKMROHKAHE-QFIPXVFZSA-N 0 0 420.887 5.232 40 0 HKABRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000409003051 560664836 /nfs/dbraw/zinc/66/48/36/560664836.db2.gz QYJQDWUBGJLRFX-QHCPKHFHSA-N 0 0 416.521 5.428 40 0 HKABRN COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 ZINC000409003061 558856655 /nfs/dbraw/zinc/85/66/55/558856655.db2.gz RCRYDMOZIRMGKN-GOSISDBHSA-N 0 0 408.542 5.108 40 0 HKABRN COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 ZINC000409003062 560664833 /nfs/dbraw/zinc/66/48/33/560664833.db2.gz RCRYDMOZIRMGKN-SFHVURJKSA-N 0 0 408.542 5.108 40 0 HKABRN COc1ccc(Cl)cc1C1=N/C(=C\c2ccccc2OCc2ccccc2)C(=O)O1 ZINC000409003411 560664955 /nfs/dbraw/zinc/66/49/55/560664955.db2.gz 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ZINC000409004402 558857201 /nfs/dbraw/zinc/85/72/01/558857201.db2.gz AYXYDXOQGHTNPE-NSHDSACASA-N 0 0 424.309 5.247 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C1\SC(=O)N(CCc2ccccc2)C1=O ZINC000409004545 568501242 /nfs/dbraw/zinc/50/12/42/568501242.db2.gz BNGCGMRXULDZRR-YBEGLDIGSA-N 0 0 408.306 5.281 40 0 HKABRN O=C1S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1CCc1ccccc1 ZINC000409004556 560664162 /nfs/dbraw/zinc/66/41/62/560664162.db2.gz BQVZAGZNARIYRI-QJOMJCCJSA-N 0 0 415.514 5.545 40 0 HKABRN CCCCCCOc1ccc(/C=C2\N=C(c3ccc(OCCC)cc3)OC2=O)cc1 ZINC000409005318 558857432 /nfs/dbraw/zinc/85/74/32/558857432.db2.gz UXGZMCDFWPHAIB-NKFKGCMQSA-N 0 0 407.510 5.779 40 0 HKABRN O=C1S/C(=C\c2ccccc2OCc2ccccc2)C(=O)N1CCc1ccccc1 ZINC000409005481 560664390 /nfs/dbraw/zinc/66/43/90/560664390.db2.gz FAKFJGARUGWRBI-QJOMJCCJSA-N 0 0 415.514 5.545 40 0 HKABRN CCc1ccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)cc1 ZINC000409005497 560664557 /nfs/dbraw/zinc/66/45/57/560664557.db2.gz FEUQMBYPACBGMJ-UHFFFAOYSA-N 0 0 419.506 5.095 40 0 HKABRN CCCCOc1ccc(C2=N/C(=C\c3ccc(OCC)cc3OCC)C(=O)O2)cc1 ZINC000409005764 558857248 /nfs/dbraw/zinc/85/72/48/558857248.db2.gz VMNPLXAMKNXEQL-QNGOZBTKSA-N 0 0 409.482 5.007 40 0 HKABRN CCCCCCOc1ccccc1/C=C1\N=C(c2cc(Cl)ccc2OC)OC1=O ZINC000409005823 558857185 /nfs/dbraw/zinc/85/71/85/558857185.db2.gz WRTAOAGPUWGXPJ-RGEXLXHISA-N 0 0 413.901 5.652 40 0 HKABRN Clc1ccc(CSc2nnc(COc3ccc4c(c3)CCCC4)o2)c(Cl)c1 ZINC000409005857 560664507 /nfs/dbraw/zinc/66/45/07/560664507.db2.gz GRJATJZKTGWLGQ-UHFFFAOYSA-N 0 0 421.349 6.127 40 0 HKABRN Cc1cccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)c1C ZINC000409005908 558857172 /nfs/dbraw/zinc/85/71/72/558857172.db2.gz GZQFINFMWLUKQE-UHFFFAOYSA-N 0 0 419.506 5.149 40 0 HKABRN CCOc1cc(C)c(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1C(C)C ZINC000409005934 560664522 /nfs/dbraw/zinc/66/45/22/560664522.db2.gz HHXCWUXPRKQYRU-JCMHNJIXSA-N 0 0 409.551 5.796 40 0 HKABRN C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000409005977 558857211 /nfs/dbraw/zinc/85/72/11/558857211.db2.gz 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CCOc1cc(Cl)c(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC ZINC000409007279 558857526 /nfs/dbraw/zinc/85/75/26/558857526.db2.gz OVLBRISJGDXGMB-UNOMPAQXSA-N 0 0 417.914 5.026 40 0 HKABRN CCc1ccccc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 ZINC000409007806 560664746 /nfs/dbraw/zinc/66/47/46/560664746.db2.gz RUPSPMNLTHSCEJ-UHFFFAOYSA-N 0 0 419.506 5.095 40 0 HKABRN Cc1ccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)cc1C ZINC000409007825 560664754 /nfs/dbraw/zinc/66/47/54/560664754.db2.gz SOUFCQUTQPHGDR-UHFFFAOYSA-N 0 0 419.506 5.149 40 0 HKABRN Clc1ccc(CSc2nnc(COc3ccc4ccccc4c3)o2)c(Cl)c1 ZINC000409008206 560665020 /nfs/dbraw/zinc/66/50/20/560665020.db2.gz WLIBIRQQAJNGRT-UHFFFAOYSA-N 0 0 417.317 6.401 40 0 HKABRN O=C1S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1CCc1ccccc1 ZINC000409008387 560664549 /nfs/dbraw/zinc/66/45/49/560664549.db2.gz XTUCUIHOBDVVQU-ZHZULCJRSA-N 0 0 409.894 5.879 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Cl ZINC000409008706 560665843 /nfs/dbraw/zinc/66/58/43/560665843.db2.gz AXPPXLNEYXWHOP-JFENUBAZSA-N 0 0 419.905 5.893 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Cl ZINC000409008707 558857518 /nfs/dbraw/zinc/85/75/18/558857518.db2.gz AXPPXLNEYXWHOP-LPXFMOJISA-N 0 0 419.905 5.893 40 0 HKABRN CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C1=O ZINC000409008725 558857560 /nfs/dbraw/zinc/85/75/60/558857560.db2.gz CDWALSXYXUVZFY-HJPCULJESA-N 0 0 420.328 5.852 40 0 HKABRN CC[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C1=O ZINC000409008726 560665822 /nfs/dbraw/zinc/66/58/22/560665822.db2.gz CDWALSXYXUVZFY-NJPLLEPOSA-N 0 0 420.328 5.852 40 0 HKABRN CCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C(=O)O2)cc1 ZINC000409008799 558857533 /nfs/dbraw/zinc/85/75/33/558857533.db2.gz IJYNZUVPKROVMY-HAHDFKILSA-N 0 0 417.436 5.148 40 0 HKABRN CCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)C(=O)O2)cc1 ZINC000409008892 558857509 /nfs/dbraw/zinc/85/75/09/558857509.db2.gz PDOCQPQYPYNCTB-JLPGSUDCSA-N 0 0 413.473 5.317 40 0 HKABRN CCOc1ccc(C2=N/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=O)O2)cc1 ZINC000409009059 560665144 /nfs/dbraw/zinc/66/51/44/560665144.db2.gz SNQSTFGCOAJGOO-HZHRSRAPSA-N 0 0 417.436 5.148 40 0 HKABRN Cc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1Cl ZINC000409009117 560665160 /nfs/dbraw/zinc/66/51/60/560665160.db2.gz BNOURFVBKPFGFN-MOSHPQCFSA-N 0 0 408.910 5.676 40 0 HKABRN CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O ZINC000409009332 560665195 /nfs/dbraw/zinc/66/51/95/560665195.db2.gz DHTXINNHFVZBMQ-FFCYNSPCSA-N 0 0 406.301 5.544 40 0 HKABRN CC[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O ZINC000409009333 560665133 /nfs/dbraw/zinc/66/51/33/560665133.db2.gz DHTXINNHFVZBMQ-OKHBPPCESA-N 0 0 406.301 5.544 40 0 HKABRN O=C1NC(=Cc2ccc(OCc3cccc4ccccc43)cc2)C(=O)N1c1ccccc1 ZINC000409009678 558857750 /nfs/dbraw/zinc/85/77/50/558857750.db2.gz HJSDWLURAQVKDG-KOEQRZSOSA-N 0 0 420.468 5.516 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)ccc1OCc1ccccc1 ZINC000409009706 560665251 /nfs/dbraw/zinc/66/52/51/560665251.db2.gz BMPXXFAFJKFTCG-YIRPMMGJSA-N 0 0 411.523 5.499 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)ccc1OCc1ccccc1 ZINC000409009708 560665245 /nfs/dbraw/zinc/66/52/45/560665245.db2.gz BMPXXFAFJKFTCG-ZFMLPXDISA-N 0 0 411.523 5.499 40 0 HKABRN Cc1ccc(CN2C(=O)S/C(=C\c3cccn3-c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409010532 558857961 /nfs/dbraw/zinc/85/79/61/558857961.db2.gz FKEHEWHGSXEERC-BKUYFWCQSA-N 0 0 422.937 5.984 40 0 HKABRN CC[C@@H](C)N1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C1=O ZINC000409010779 558857934 /nfs/dbraw/zinc/85/79/34/558857934.db2.gz LGEILJJONHXJSN-IKMPRTQCSA-N 0 0 422.525 5.972 40 0 HKABRN CC[C@H](C)N1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C1=O ZINC000409010780 560665411 /nfs/dbraw/zinc/66/54/11/560665411.db2.gz LGEILJJONHXJSN-NSMHLIOHSA-N 0 0 422.525 5.972 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1Cl ZINC000409010786 560665433 /nfs/dbraw/zinc/66/54/33/560665433.db2.gz LHXCYZCGLWUIPR-VCRXTVNUSA-N 0 0 401.915 5.754 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1Cl ZINC000409010787 560665394 /nfs/dbraw/zinc/66/53/94/560665394.db2.gz LHXCYZCGLWUIPR-YQNUULROSA-N 0 0 401.915 5.754 40 0 HKABRN O=C1NC(=Cc2ccccc2OCc2ccc3ccccc3c2)C(=O)N1c1ccccc1 ZINC000409010889 560665396 /nfs/dbraw/zinc/66/53/96/560665396.db2.gz GCJULSPWWWIDDG-JJIBRWJFSA-N 0 0 420.468 5.516 40 0 HKABRN COc1cccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c1OC(C)C ZINC000409011007 560665447 /nfs/dbraw/zinc/66/54/47/560665447.db2.gz FHIAPAVGQXUADI-WQRHYEAKSA-N 0 0 417.914 5.372 40 0 HKABRN COc1ccc(CCCc2nnc(SCc3cccc4ccccc43)o2)cc1C ZINC000409011086 560665486 /nfs/dbraw/zinc/66/54/86/560665486.db2.gz DNFGMTORLYYJRR-UHFFFAOYSA-N 0 0 404.535 6.007 40 0 HKABRN CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O ZINC000409011292 558857947 /nfs/dbraw/zinc/85/79/47/558857947.db2.gz FYPGFNWTJYFXSS-BDFKGGEMSA-N 0 0 417.530 6.254 40 0 HKABRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O ZINC000409011294 560665484 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CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccccc2Cl)C1=O ZINC000409013196 560665691 /nfs/dbraw/zinc/66/56/91/560665691.db2.gz MEUSFAIDDNGAAJ-BXUJETTOSA-N 0 0 401.915 5.754 40 0 HKABRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccccc2Cl)C1=O ZINC000409013197 560665703 /nfs/dbraw/zinc/66/57/03/560665703.db2.gz MEUSFAIDDNGAAJ-ONDHQXCVSA-N 0 0 401.915 5.754 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1Br ZINC000409013273 560665715 /nfs/dbraw/zinc/66/57/15/560665715.db2.gz UEKOGVGCPAOXHO-ATARQRRYSA-N 0 0 412.349 5.461 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1Br ZINC000409013274 558858251 /nfs/dbraw/zinc/85/82/51/558858251.db2.gz UEKOGVGCPAOXHO-AWOYWQDDSA-N 0 0 412.349 5.461 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1Br ZINC000409013276 558858350 /nfs/dbraw/zinc/85/83/50/558858350.db2.gz UEKOGVGCPAOXHO-DYBVGFEPSA-N 0 0 412.349 5.461 40 0 HKABRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(O[C@@H](C)CC)c(Br)c2)C1=O ZINC000409013278 560665675 /nfs/dbraw/zinc/66/56/75/560665675.db2.gz UEKOGVGCPAOXHO-GIBJHAEVSA-N 0 0 412.349 5.461 40 0 HKABRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O ZINC000409013368 560665704 /nfs/dbraw/zinc/66/57/04/560665704.db2.gz NDVLUSXSZPNBCR-MQMKENTISA-N 0 0 415.486 5.248 40 0 HKABRN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O ZINC000409013373 560665725 /nfs/dbraw/zinc/66/57/25/560665725.db2.gz NDVLUSXSZPNBCR-PVGUKEHMSA-N 0 0 415.486 5.248 40 0 HKABRN C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCc2ccccc2Cl)o1 ZINC000409013486 560665481 /nfs/dbraw/zinc/66/54/81/560665481.db2.gz KMYBWRDIKQBWLT-JTQLQIEISA-N 0 0 415.729 6.462 40 0 HKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCc2ccccc2Cl)o1 ZINC000409013489 560665461 /nfs/dbraw/zinc/66/54/61/560665461.db2.gz KMYBWRDIKQBWLT-SNVBAGLBSA-N 0 0 415.729 6.462 40 0 HKABRN O=C1NC(=Cc2ccccc2OCc2ccc(Cl)cc2)C(=O)N1c1ccccc1 ZINC000409014380 560666212 /nfs/dbraw/zinc/66/62/12/560666212.db2.gz PHCOELXHKOKBFQ-XSFVSMFZSA-N 0 0 404.853 5.016 40 0 HKABRN O=C1NC(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1c1ccccc1 ZINC000409014390 558858767 /nfs/dbraw/zinc/85/87/67/558858767.db2.gz PJTKVSDHEDJRQA-KGENOOAVSA-N 0 0 404.853 5.016 40 0 HKABRN COc1ccc(CCCc2nnc(SCc3ccc(Cl)cc3Cl)o2)cc1C ZINC000409014521 560666227 /nfs/dbraw/zinc/66/62/27/560666227.db2.gz MRISEWHEGUCMSK-UHFFFAOYSA-N 0 0 423.365 6.161 40 0 HKABRN Cc1ccc(CSc2nnc(CCCOc3ccc(Cl)cc3Cl)o2)cc1 ZINC000409014542 560666239 /nfs/dbraw/zinc/66/62/39/560666239.db2.gz MUTRDZWIWRCRPM-UHFFFAOYSA-N 0 0 409.338 5.989 40 0 HKABRN Fc1ccccc1CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1 ZINC000409014605 558858658 /nfs/dbraw/zinc/85/86/58/558858658.db2.gz NGXIQPLTGVIOQK-UHFFFAOYSA-N 0 0 413.301 5.819 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccccc3Cl)C2=O)cc1Cl ZINC000409015452 558859873 /nfs/dbraw/zinc/85/98/73/558859873.db2.gz RCZAFFCYDBTZOQ-FHNWIRHTSA-N 0 0 419.308 5.264 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccccc3Cl)C2=O)cc1Cl ZINC000409015455 558860305 /nfs/dbraw/zinc/86/03/05/558860305.db2.gz RCZAFFCYDBTZOQ-NCUBORBFSA-N 0 0 419.308 5.264 40 0 HKABRN Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000409016152 560666502 /nfs/dbraw/zinc/66/65/02/560666502.db2.gz DDDLMEFQXHIVPG-UHFFFAOYSA-N 0 0 414.505 5.278 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1Cl ZINC000409016698 560666626 /nfs/dbraw/zinc/66/66/26/560666626.db2.gz VLOQRJKHLWFKKA-DKNZLLBESA-N 0 0 415.942 6.062 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1Cl ZINC000409016701 558860794 /nfs/dbraw/zinc/86/07/94/558860794.db2.gz VLOQRJKHLWFKKA-GEYIUBJWSA-N 0 0 415.942 6.062 40 0 HKABRN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O ZINC000409017490 558861287 /nfs/dbraw/zinc/86/12/87/558861287.db2.gz WYEKOWZKINQZQG-REIAIGDLSA-N 0 0 411.523 5.417 40 0 HKABRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O ZINC000409017492 558861344 /nfs/dbraw/zinc/86/13/44/558861344.db2.gz WYEKOWZKINQZQG-WMRWHDLOSA-N 0 0 411.523 5.417 40 0 HKABRN O=C1NC(=Cc2ccc(OCc3ccccc3Cl)cc2)C(=O)N1c1ccccc1 ZINC000409017620 560665923 /nfs/dbraw/zinc/66/59/23/560665923.db2.gz VJVXGZOUEDMFNT-KGENOOAVSA-N 0 0 404.853 5.016 40 0 HKABRN Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC000409017960 560666035 /nfs/dbraw/zinc/66/60/35/560666035.db2.gz OAGDLUAOKLQJRY-UHFFFAOYSA-N 0 0 424.850 5.158 40 0 HKABRN CC(C)N1C(=O)S/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O ZINC000409018508 560666043 /nfs/dbraw/zinc/66/60/43/560666043.db2.gz MLPOOTSPWWCJDJ-RGVLZGJSSA-N 0 0 410.926 5.788 40 0 HKABRN CC[C@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)C1=O ZINC000409018705 558861447 /nfs/dbraw/zinc/86/14/47/558861447.db2.gz YNFCGYYEBFLALQ-KOWBDXASSA-N 0 0 404.535 5.833 40 0 HKABRN CC[C@@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)C1=O ZINC000409018707 560666115 /nfs/dbraw/zinc/66/61/15/560666115.db2.gz YNFCGYYEBFLALQ-NEIHUHTASA-N 0 0 404.535 5.833 40 0 HKABRN CC(C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O ZINC000409018927 558861457 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411.951 5.751 40 0 HKABRN COc1ccc(CCCc2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cc1C ZINC000409019163 560667276 /nfs/dbraw/zinc/66/72/76/560667276.db2.gz VXXRVVDMTYBRBC-UHFFFAOYSA-N 0 0 423.365 6.161 40 0 HKABRN O=C(Nc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000409019307 560667316 /nfs/dbraw/zinc/66/73/16/560667316.db2.gz QUOGVNARBHXONB-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN O=C(Nc1c(Cl)cccc1Cl)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000409019691 560667425 /nfs/dbraw/zinc/66/74/25/560667425.db2.gz WDBHOHWPDWZSQA-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN Cc1ccc(-c2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o2)c(Br)c1 ZINC000409019709 558861536 /nfs/dbraw/zinc/86/15/36/558861536.db2.gz WMPLQEPCSUCXRF-SXGWCWSVSA-N 0 0 406.301 5.462 40 0 HKABRN CC(C)N1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000409019868 558861780 /nfs/dbraw/zinc/86/17/80/558861780.db2.gz ZOIVXMRAURDOGJ-RGVLZGJSSA-N 0 0 410.926 5.788 40 0 HKABRN COc1ccc(CCCc2nnc(SCc3ccc(Cl)cc3Cl)o2)cc1 ZINC000409020103 560667413 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O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000409021780 558862418 /nfs/dbraw/zinc/86/24/18/558862418.db2.gz YCBIGBDCXXYRLI-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN Cc1nc(-c2ccc(C(=O)OCC(=O)c3ccc(-c4ccccc4)cc3)cc2)cs1 ZINC000409021823 558862475 /nfs/dbraw/zinc/86/24/75/558862475.db2.gz AHYLHEWOYBVCNN-UHFFFAOYSA-N 0 0 413.498 5.825 40 0 HKABRN CC(C)N1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)C1=O ZINC000409021958 560666930 /nfs/dbraw/zinc/66/69/30/560666930.db2.gz AYFBFRXSUJJNGC-HYARGMPZSA-N 0 0 403.503 5.864 40 0 HKABRN O=C1S/C(=C\c2cccn2-c2ccc(O)cc2)C(=O)N1Cc1ccccc1Cl ZINC000409021973 560666901 /nfs/dbraw/zinc/66/69/01/560666901.db2.gz GSBJEYXQTGEMSM-UNOMPAQXSA-N 0 0 410.882 5.073 40 0 HKABRN Cc1cccc(COc2ccc3ccccc3c2/C=C2/SC(=O)N(C(C)C)C2=O)c1 ZINC000409022069 558862765 /nfs/dbraw/zinc/86/27/65/558862765.db2.gz ITICEZXJGZDNNZ-OEAKJJBVSA-N 0 0 417.530 6.172 40 0 HKABRN COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1ccccc1Cl ZINC000409022481 560667040 /nfs/dbraw/zinc/66/70/40/560667040.db2.gz PXOACJQFRRPBJJ-YBFXNURJSA-N 0 0 417.914 5.372 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1cccc(C)c1 ZINC000409022493 560667061 /nfs/dbraw/zinc/66/70/61/560667061.db2.gz QHYGMVTYGMYQPY-FYJGNVAPSA-N 0 0 411.523 5.417 40 0 HKABRN CC(C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000409022517 558862955 /nfs/dbraw/zinc/86/29/55/558862955.db2.gz QZRYHZBSKWBAOS-GIJQJNRQSA-N 0 0 422.333 6.017 40 0 HKABRN Cc1c(/C=C2/SC(=O)N(C(C)C)C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409022636 558863004 /nfs/dbraw/zinc/86/30/04/558863004.db2.gz DXDOBPQPJHRSEM-CIAFOILYSA-N 0 0 424.953 6.096 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000409023002 558863166 /nfs/dbraw/zinc/86/31/66/558863166.db2.gz AUESKVNXYHMARL-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000409023013 558863241 /nfs/dbraw/zinc/86/32/41/558863241.db2.gz BAXCRMULFRSLOH-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000409023022 560667095 /nfs/dbraw/zinc/66/70/95/560667095.db2.gz FBMZPAJFFRDKSD-ACCUITESSA-N 0 0 417.336 5.708 40 0 HKABRN Cc1ccccc1COc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000409023147 560667118 /nfs/dbraw/zinc/66/71/18/560667118.db2.gz PLHCLFVAPPVZNM-HMAPJEAMSA-N 0 0 403.865 5.572 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000409023319 560667093 /nfs/dbraw/zinc/66/70/93/560667093.db2.gz JFUQIIWFDVRUHN-UHFFFAOYSA-N 0 0 411.716 5.138 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409023479 558863188 /nfs/dbraw/zinc/86/31/88/558863188.db2.gz NXLYOHKDKWUCPU-UDWIEESQSA-N 0 0 415.486 5.248 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1cccc(F)c1 ZINC000409023607 558863430 /nfs/dbraw/zinc/86/34/30/558863430.db2.gz IJSMXVTVRSBYKR-UDWIEESQSA-N 0 0 415.486 5.248 40 0 HKABRN O=C(CSCc1cccc(Cl)c1)NCCSCc1c(F)cccc1Cl ZINC000409024208 558863140 /nfs/dbraw/zinc/86/31/40/558863140.db2.gz BPSLYVOLBMOGNB-UHFFFAOYSA-N 0 0 418.386 5.415 40 0 HKABRN Cc1c(/C=C2/SC(=O)N(C(C)C)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000409024359 560667692 /nfs/dbraw/zinc/66/76/92/560667692.db2.gz RCWGUPMMGIFERI-CIAFOILYSA-N 0 0 424.953 6.096 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSCc1c(F)cccc1Cl ZINC000409024364 560667703 /nfs/dbraw/zinc/66/77/03/560667703.db2.gz KIEPFFYKXSWYDT-FNORWQNLSA-N 0 0 418.748 5.849 40 0 HKABRN Cc1ccccc1COc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 ZINC000409024578 560667826 /nfs/dbraw/zinc/66/78/26/560667826.db2.gz FCJCQEDDHUGZSV-XKZIYDEJSA-N 0 0 403.865 5.572 40 0 HKABRN O=C(/C=C/c1ccccc1Cl)NCCSCc1c(Cl)cccc1Cl ZINC000409024631 560667807 /nfs/dbraw/zinc/66/78/07/560667807.db2.gz LKMMGEWFXPTBNU-CMDGGOBGSA-N 0 0 400.758 5.710 40 0 HKABRN O=C(CSCc1cccc(Cl)c1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000409024647 558863556 /nfs/dbraw/zinc/86/35/56/558863556.db2.gz MAECJIADBSNHFF-UHFFFAOYSA-N 0 0 424.953 5.142 40 0 HKABRN O=C(CCSc1ccc(Cl)cc1)NCCSCc1c(F)cccc1Cl ZINC000409024682 560667815 /nfs/dbraw/zinc/66/78/15/560667815.db2.gz NGFYZQMOJFUZRQ-UHFFFAOYSA-N 0 0 418.386 5.664 40 0 HKABRN Cc1ccccc1CSCCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000409024687 558863832 /nfs/dbraw/zinc/86/38/32/558863832.db2.gz NIJVACYLVMMDSU-HAVVHWLPSA-N 0 0 421.993 6.239 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409024862 558863825 /nfs/dbraw/zinc/86/38/25/558863825.db2.gz YGMKFYNSNAMNHW-FYJGNVAPSA-N 0 0 411.523 5.417 40 0 HKABRN Cc1ccc(CSCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000409024878 560667829 /nfs/dbraw/zinc/66/78/29/560667829.db2.gz INFMEHRVPSNKGX-UHFFFAOYSA-N 0 0 414.423 5.585 40 0 HKABRN O=C(COc1ccc(Cl)cc1)NCCSCc1c(Cl)cccc1Cl ZINC000409025558 558864431 /nfs/dbraw/zinc/86/44/31/558864431.db2.gz SFCMGTVZXKNTFX-UHFFFAOYSA-N 0 0 404.746 5.075 40 0 HKABRN Cc1ccc(CSCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000409026123 560668006 /nfs/dbraw/zinc/66/80/06/560668006.db2.gz GZGANZRXJASFAD-UHFFFAOYSA-N 0 0 405.607 6.335 40 0 HKABRN Cc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1C ZINC000409026135 560668026 /nfs/dbraw/zinc/66/80/26/560668026.db2.gz HESDVRANAPLXSX-RUZDIDTESA-N 0 0 416.546 5.330 40 0 HKABRN Cc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1C ZINC000409026136 558864502 /nfs/dbraw/zinc/86/45/02/558864502.db2.gz HESDVRANAPLXSX-VWLOTQADSA-N 0 0 416.546 5.330 40 0 HKABRN C[C@H](SCc1ccccc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409026242 560668024 /nfs/dbraw/zinc/66/80/24/560668024.db2.gz JQPGJYNAXFEPJX-FJDLLSKQSA-N 0 0 405.607 6.415 40 0 HKABRN C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409026243 560668003 /nfs/dbraw/zinc/66/80/03/560668003.db2.gz JQPGJYNAXFEPJX-VIAIDJOKSA-N 0 0 405.607 6.415 40 0 HKABRN CC(C)(C)c1ccc(/C=C/C(=O)NCCSCc2c(F)cccc2Cl)cc1 ZINC000409026253 560668039 /nfs/dbraw/zinc/66/80/39/560668039.db2.gz JYGMKHOAXSLVGP-FMIVXFBMSA-N 0 0 405.966 5.839 40 0 HKABRN Cc1ccc(SCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000409026355 560668070 /nfs/dbraw/zinc/66/80/70/560668070.db2.gz MOVHZOGJCPKQGX-UHFFFAOYSA-N 0 0 400.396 5.444 40 0 HKABRN COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000409026365 558864642 /nfs/dbraw/zinc/86/46/42/558864642.db2.gz MWXXBONRDKOZME-HMAPJEAMSA-N 0 0 413.473 5.236 40 0 HKABRN CC(C)NC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000409026532 558864664 /nfs/dbraw/zinc/86/46/64/558864664.db2.gz RNZZVUOXSIRLTQ-LTGZKZEYSA-N 0 0 418.924 5.658 40 0 HKABRN O=C(CSCc1ccccc1)NCCSCc1c(Cl)cccc1Cl ZINC000409026821 560668114 /nfs/dbraw/zinc/66/81/14/560668114.db2.gz ZARXBEQMDNVGNI-UHFFFAOYSA-N 0 0 400.396 5.276 40 0 HKABRN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000409026973 560668084 /nfs/dbraw/zinc/66/80/84/560668084.db2.gz LNHKIDIWFYHZDK-OBGWFSINSA-N 0 0 412.533 5.566 40 0 HKABRN O=C(NCCSC1CCCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000409026979 558864979 /nfs/dbraw/zinc/86/49/79/558864979.db2.gz MBIOZZASCVGECT-UHFFFAOYSA-N 0 0 420.043 6.428 40 0 HKABRN O=C(CCSc1ccccc1)NCCSCc1c(Cl)cccc1Cl ZINC000409026982 560668107 /nfs/dbraw/zinc/66/81/07/560668107.db2.gz MOFZTYYHRXGPLW-UHFFFAOYSA-N 0 0 400.396 5.525 40 0 HKABRN COc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000409027006 558864880 /nfs/dbraw/zinc/86/48/80/558864880.db2.gz PALCOQSTSKRLRH-BKUYFWCQSA-N 0 0 417.436 5.066 40 0 HKABRN Cc1cc(C)cc(CSCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000409027018 558864995 /nfs/dbraw/zinc/86/49/95/558864995.db2.gz QINJUGARYDGVCU-UHFFFAOYSA-N 0 0 419.634 6.643 40 0 HKABRN O=C(CSc1ccc(Cl)cc1)NCCSCc1c(Cl)cccc1Cl ZINC000409027114 560668111 /nfs/dbraw/zinc/66/81/11/560668111.db2.gz ZTRISZLCJZLPJU-UHFFFAOYSA-N 0 0 420.814 5.789 40 0 HKABRN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000409027396 558864895 /nfs/dbraw/zinc/86/48/95/558864895.db2.gz CYSAXOCKFGNLHR-AWNIVKPZSA-N 0 0 413.605 7.104 40 0 HKABRN O=C(CSc1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000409027562 558864960 /nfs/dbraw/zinc/86/49/60/558864960.db2.gz LIIMTQXVCZELCR-UHFFFAOYSA-N 0 0 402.947 5.133 40 0 HKABRN COc1ccc(/C=C(/C(=O)NCCSCc2ccccc2C)c2ccccc2)cc1 ZINC000409027673 558865053 /nfs/dbraw/zinc/86/50/53/558865053.db2.gz OLJZUZPAJPVIST-XIEYBQDHSA-N 0 0 417.574 5.594 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1)NCCSCc1c(F)cccc1Cl ZINC000409027852 560668243 /nfs/dbraw/zinc/66/82/43/560668243.db2.gz UGWZBWPDMPIHLE-UHFFFAOYSA-N 0 0 418.386 5.415 40 0 HKABRN Cc1ccccc1CSCCNC(=O)CSCc1ccccc1Br ZINC000409028148 560667473 /nfs/dbraw/zinc/66/74/73/560667473.db2.gz HWRVHIFWMQQMER-UHFFFAOYSA-N 0 0 424.429 5.040 40 0 HKABRN O=C(CSc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000409028193 558865161 /nfs/dbraw/zinc/86/51/61/558865161.db2.gz IQWMZTHBMRZBNO-UHFFFAOYSA-N 0 0 410.926 5.001 40 0 HKABRN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409028485 558865324 /nfs/dbraw/zinc/86/53/24/558865324.db2.gz NURYXJASEHTHAJ-KRXBUXKQSA-N 0 0 401.506 5.535 40 0 HKABRN CC(C)(C)c1ccc(/C=C/C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000409028573 560667633 /nfs/dbraw/zinc/66/76/33/560667633.db2.gz PCTVQYCQVHFFDI-FMIVXFBMSA-N 0 0 422.421 6.354 40 0 HKABRN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000409028614 558865314 /nfs/dbraw/zinc/86/53/14/558865314.db2.gz QHFQFQVRAOTIDN-OBGWFSINSA-N 0 0 404.554 5.699 40 0 HKABRN Cc1ccccc1CSCCNC(=O)CSCc1cccc(Br)c1 ZINC000409028676 560667640 /nfs/dbraw/zinc/66/76/40/560667640.db2.gz PYHGCYCHBJFECI-UHFFFAOYSA-N 0 0 424.429 5.040 40 0 HKABRN Cc1cc(C)cc(CSCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 ZINC000409028816 560667621 /nfs/dbraw/zinc/66/76/21/560667621.db2.gz TZLXUXFNBDKNDC-UHFFFAOYSA-N 0 0 410.583 5.238 40 0 HKABRN O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(Cl)cc1Cl ZINC000409029217 560667619 /nfs/dbraw/zinc/66/76/19/560667619.db2.gz WPFQXXBLSKOJNF-UHFFFAOYSA-N 0 0 409.165 5.963 40 0 HKABRN Cc1ccc(COc2ccc(/C=C3/C(=O)N(c4ccccc4)C(=S)N3C)cc2)cc1 ZINC000409030166 558865836 /nfs/dbraw/zinc/86/58/36/558865836.db2.gz COKRVUBMWLGJON-KQWNVCNZSA-N 0 0 414.530 5.178 40 0 HKABRN CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)N(C)C1=S ZINC000409031808 558867609 /nfs/dbraw/zinc/86/76/09/558867609.db2.gz BKKTYTBQENOYDT-ZROIWOOFSA-N 0 0 414.836 5.039 40 0 HKABRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 ZINC000409032426 558868245 /nfs/dbraw/zinc/86/82/45/558868245.db2.gz JKTWONCFVKVHRK-JCMHNJIXSA-N 0 0 418.493 5.009 40 0 HKABRN Cc1ccc(COc2ccccc2/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1 ZINC000409032586 560668418 /nfs/dbraw/zinc/66/84/18/560668418.db2.gz CNHNXHTWENVGQL-JWGURIENSA-N 0 0 414.530 5.178 40 0 HKABRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 ZINC000409033542 560668469 /nfs/dbraw/zinc/66/84/69/560668469.db2.gz FMYQEZGEYINTJZ-QNGOZBTKSA-N 0 0 418.493 5.009 40 0 HKABRN CCOc1ccc(N2C(=O)/C(=C/c3cc(C(C)C)c(OC)cc3C)N(C)C2=S)cc1 ZINC000409033719 558878586 /nfs/dbraw/zinc/87/85/86/558878586.db2.gz PCLHVCHHWFLMRC-STZFKDTASA-N 0 0 424.566 5.130 40 0 HKABRN Cc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccc(C(C)(C)C)cc4)cc3n2)cc1 ZINC000409034323 558881998 /nfs/dbraw/zinc/88/19/98/558881998.db2.gz QGSMRYXTQOLBBF-UHFFFAOYSA-N 0 0 409.455 6.688 40 0 HKABRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 ZINC000409034583 560668700 /nfs/dbraw/zinc/66/87/00/560668700.db2.gz HZARRMXMYRJWHQ-JCMHNJIXSA-N 0 0 418.493 5.009 40 0 HKABRN Cc1sc(Nc2ccc(Cl)cc2Cl)nc1-c1ccc(Br)cc1 ZINC000409039194 568442920 /nfs/dbraw/zinc/44/29/20/568442920.db2.gz BWXYTMOANZRGLK-UHFFFAOYSA-N 0 0 414.155 6.931 40 0 HKABRN Cc1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000409041254 571310457 /nfs/dbraw/zinc/31/04/57/571310457.db2.gz JJKQENKJBCDVFT-UHFFFAOYSA-N 0 0 403.256 7.188 40 0 HKABRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000409041260 558892993 /nfs/dbraw/zinc/89/29/93/558892993.db2.gz UIUREBSRCAPRSW-HKWRFOASSA-N 0 0 422.594 5.592 40 0 HKABRN Cc1cccc(COc2ccccc2/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c1 ZINC000409041403 558893284 /nfs/dbraw/zinc/89/32/84/558893284.db2.gz VQGNONHNDCQTKR-JWGURIENSA-N 0 0 414.530 5.178 40 0 HKABRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 ZINC000409044009 558896494 /nfs/dbraw/zinc/89/64/94/558896494.db2.gz NLGVABHFLVSGQZ-QNGOZBTKSA-N 0 0 418.493 5.009 40 0 HKABRN Cc1sc(Nc2cc(Cl)ccc2Cl)nc1-c1ccc(Br)cc1 ZINC000409044239 571310538 /nfs/dbraw/zinc/31/05/38/571310538.db2.gz UTTHJBJVYQMBDN-UHFFFAOYSA-N 0 0 414.155 6.931 40 0 HKABRN Cc1sc(Nc2cccc(Cl)c2Cl)nc1-c1ccc(Cl)c(Cl)c1 ZINC000409044277 571310446 /nfs/dbraw/zinc/31/04/46/571310446.db2.gz BNETYIIBTRBBID-UHFFFAOYSA-N 0 0 404.149 7.476 40 0 HKABRN Cc1sc(Nc2cccc(Cl)c2Cl)nc1-c1ccc(Br)cc1 ZINC000409045323 568442913 /nfs/dbraw/zinc/44/29/13/568442913.db2.gz GFZYQUKMCNTYPB-UHFFFAOYSA-N 0 0 414.155 6.931 40 0 HKABRN Cc1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccc(Br)cc1 ZINC000409045543 571310524 /nfs/dbraw/zinc/31/05/24/571310524.db2.gz ZCHICEYGVSSWIN-UHFFFAOYSA-N 0 0 413.262 6.643 40 0 HKABRN Cc1sc(Nc2ccc(Cl)c(Cl)c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000409046027 571310441 /nfs/dbraw/zinc/31/04/41/571310441.db2.gz HYYOSPOFWATCPE-UHFFFAOYSA-N 0 0 404.149 7.476 40 0 HKABRN Cc1sc(Nc2cc(Cl)cc(Cl)c2)nc1-c1ccc(Br)cc1 ZINC000409046790 571310502 /nfs/dbraw/zinc/31/05/02/571310502.db2.gz MDECWUWDQIWPEV-UHFFFAOYSA-N 0 0 414.155 6.931 40 0 HKABRN Cc1sc(Nc2ccc(Cl)c(Cl)c2)nc1-c1ccc(Br)cc1 ZINC000409047245 571310444 /nfs/dbraw/zinc/31/04/44/571310444.db2.gz LZQMUVPJDNUQLS-UHFFFAOYSA-N 0 0 414.155 6.931 40 0 HKABRN Cc1sc(Nc2cc(Cl)ccc2Cl)nc1-c1ccc(Cl)c(Cl)c1 ZINC000409047692 571310436 /nfs/dbraw/zinc/31/04/36/571310436.db2.gz PVAMPSWQUYHRLZ-UHFFFAOYSA-N 0 0 404.149 7.476 40 0 HKABRN Cc1sc(Nc2cc(Cl)cc(Cl)c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000409047700 571310440 /nfs/dbraw/zinc/31/04/40/571310440.db2.gz PZVXGRYVMSWVEW-UHFFFAOYSA-N 0 0 404.149 7.476 40 0 HKABRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F ZINC000409048252 558895100 /nfs/dbraw/zinc/89/51/00/558895100.db2.gz NXJCQUJBKUQDGR-QNGOZBTKSA-N 0 0 418.493 5.009 40 0 HKABRN Cc1sc(Nc2ccc(Cl)cc2Cl)nc1-c1ccc(Cl)c(Cl)c1 ZINC000409048857 571310439 /nfs/dbraw/zinc/31/04/39/571310439.db2.gz UGYPITLSKTVWFP-UHFFFAOYSA-N 0 0 404.149 7.476 40 0 HKABRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409050707 558895886 /nfs/dbraw/zinc/89/58/86/558895886.db2.gz YTCXIBHCFSMUNO-JCMHNJIXSA-N 0 0 418.493 5.009 40 0 HKABRN Cc1sc(Nc2ccc(Br)cc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000409050745 558895926 /nfs/dbraw/zinc/89/59/26/558895926.db2.gz ZFVKZWSEMLEOKQ-UHFFFAOYSA-N 0 0 414.155 6.931 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C1\SC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000409050837 558895827 /nfs/dbraw/zinc/89/58/27/558895827.db2.gz AXNMKPZSGARJNH-PXNMLYILSA-N 0 0 408.306 5.547 40 0 HKABRN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000409050891 560669975 /nfs/dbraw/zinc/66/99/75/560669975.db2.gz CHKQWXOAVIIOQV-UHFFFAOYSA-N 0 0 414.549 5.628 40 0 HKABRN COc1cc2c(cc1C)-c1nc(NC(=O)c3ccc(Cl)cc3Cl)sc1CC2 ZINC000409051011 560669980 /nfs/dbraw/zinc/66/99/80/560669980.db2.gz GSKZVOMSSHYNRJ-UHFFFAOYSA-N 0 0 419.333 5.785 40 0 HKABRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1ccc(Cl)cc1 ZINC000409051125 560669978 /nfs/dbraw/zinc/66/99/78/560669978.db2.gz AHKAOVMIJVEJJY-UHFFFAOYSA-N 0 0 408.885 6.522 40 0 HKABRN COc1ccc2c(c1)CCc1sc(NC(=O)c3ccccc3-c3ccccc3)nc1-2 ZINC000409051555 560670114 /nfs/dbraw/zinc/67/01/14/560670114.db2.gz BCWAORGVFJDQMN-UHFFFAOYSA-N 0 0 412.514 5.837 40 0 HKABRN Cc1ccc(NC(=O)c2c(NC(=O)c3cccc(Cl)c3)sc3c2CCCC3)cc1 ZINC000409051567 560670097 /nfs/dbraw/zinc/67/00/97/560670097.db2.gz ARUACNUZIPIHAP-UHFFFAOYSA-N 0 0 424.953 6.093 40 0 HKABRN COc1cc2c(cc1C)-c1nc(NC(=O)c3cc(Cl)ccc3OC)sc1CC2 ZINC000409051590 558898234 /nfs/dbraw/zinc/89/82/34/558898234.db2.gz BJXQQXMLBFXRCJ-UHFFFAOYSA-N 0 0 414.914 5.140 40 0 HKABRN CCCCOc1ccc(C(=O)Nc2nc3c(s2)CCc2cc(OC)c(C)cc2-3)cc1 ZINC000409051644 558898148 /nfs/dbraw/zinc/89/81/48/558898148.db2.gz BUIZFNJLGNCFTR-UHFFFAOYSA-N 0 0 422.550 5.657 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000409051670 560670137 /nfs/dbraw/zinc/67/01/37/560670137.db2.gz FNLSXJSONFFVSK-UHFFFAOYSA-N 0 0 412.961 5.437 40 0 HKABRN COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1Br ZINC000409051683 560670132 /nfs/dbraw/zinc/67/01/32/560670132.db2.gz FPAYEMUVGGDJAV-UHFFFAOYSA-N 0 0 403.301 5.142 40 0 HKABRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1cccc(Cl)c1 ZINC000409051868 558898186 /nfs/dbraw/zinc/89/81/86/558898186.db2.gz HBHDOQUPHWWWRF-UHFFFAOYSA-N 0 0 408.885 6.522 40 0 HKABRN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1Cl ZINC000409051912 560670182 /nfs/dbraw/zinc/67/01/82/560670182.db2.gz DBKQGTATTHHTMS-UHFFFAOYSA-N 0 0 412.961 5.437 40 0 HKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O ZINC000409051941 558898421 /nfs/dbraw/zinc/89/84/21/558898421.db2.gz FGTLXYUNGJUPDP-STZFKDTASA-N 0 0 411.523 5.419 40 0 HKABRN COc1cc(C)c(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1C(C)C ZINC000409052075 558898481 /nfs/dbraw/zinc/89/84/81/558898481.db2.gz IDWSDANFJMKTOM-STZFKDTASA-N 0 0 411.523 5.242 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C1\SC(=O)N(CCOc2ccccc2)C1=O ZINC000409052155 558898437 /nfs/dbraw/zinc/89/84/37/558898437.db2.gz GIDLQTIIQLIHOE-YBEGLDIGSA-N 0 0 424.305 5.117 40 0 HKABRN CSc1ccccc1C(=O)Nc1nc(-c2cccs2)c(-c2ccccc2)s1 ZINC000409052163 560670194 /nfs/dbraw/zinc/67/01/94/560670194.db2.gz GIVNQDMQQAMQLV-UHFFFAOYSA-N 0 0 408.573 6.513 40 0 HKABRN O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000409052225 558898478 /nfs/dbraw/zinc/89/84/78/558898478.db2.gz IWDRDSPGZIYDDZ-UHFFFAOYSA-N 0 0 420.603 6.694 40 0 HKABRN O=C1S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1CCOc1ccc(F)cc1 ZINC000409052342 560670202 /nfs/dbraw/zinc/67/02/02/560670202.db2.gz RZMGKWJAPWOJPY-SXGWCWSVSA-N 0 0 412.269 5.248 40 0 HKABRN COc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1 ZINC000409052424 560669515 /nfs/dbraw/zinc/66/95/15/560669515.db2.gz SEQRNCRDWSCGFV-UHFFFAOYSA-N 0 0 404.466 5.877 40 0 HKABRN COc1ccc2c(c1)-c1nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc1CC2 ZINC000409052435 560669543 /nfs/dbraw/zinc/66/95/43/560669543.db2.gz HLSIEJVBYWSXJS-UHFFFAOYSA-N 0 0 412.514 5.837 40 0 HKABRN COc1cc(OC)cc(C(=O)Nc2nc(-c3cccs3)c(-c3ccccc3)s2)c1 ZINC000409052467 558898462 /nfs/dbraw/zinc/89/84/62/558898462.db2.gz TUKQHFJFHUMMTQ-UHFFFAOYSA-N 0 0 422.531 5.808 40 0 HKABRN CSc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1 ZINC000409052469 558898651 /nfs/dbraw/zinc/89/86/51/558898651.db2.gz TVJFIHLSBQODFN-UHFFFAOYSA-N 0 0 420.534 6.590 40 0 HKABRN CC(C)N1C(=O)S/C(=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)C1=O ZINC000409052968 560669648 /nfs/dbraw/zinc/66/96/48/560669648.db2.gz FSUDMUHHTNHUIL-ZDLGFXPLSA-N 0 0 422.333 6.017 40 0 HKABRN CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl ZINC000409053108 558898675 /nfs/dbraw/zinc/89/86/75/558898675.db2.gz KOZMHOQGFCUXSN-YVLHZVERSA-N 0 0 422.333 5.937 40 0 HKABRN CCOc1cc(C)c(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1C(C)C ZINC000409053129 558898695 /nfs/dbraw/zinc/89/86/95/558898695.db2.gz XQRZCDHMNNIMFW-XKZIYDEJSA-N 0 0 409.551 6.062 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000409053153 560669608 /nfs/dbraw/zinc/66/96/08/560669608.db2.gz LLPNEXMDAJRHKM-UHFFFAOYSA-N 0 0 412.961 5.437 40 0 HKABRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1cccnc1 ZINC000409053224 558898644 /nfs/dbraw/zinc/89/86/44/558898644.db2.gz NDTVPRWMMNZIKO-MTJSOVHGSA-N 0 0 403.507 5.034 40 0 HKABRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1ccccc1Cl ZINC000409053284 560669603 /nfs/dbraw/zinc/66/96/03/560669603.db2.gz NYTRRRQHHMKATK-UHFFFAOYSA-N 0 0 408.885 6.522 40 0 HKABRN COc1ccc2c(c1)-c1nc(NC(=O)c3ccccc3-c3ccccc3)sc1CC2 ZINC000409053300 558898673 /nfs/dbraw/zinc/89/86/73/558898673.db2.gz ODIWMXAMEBEXHO-UHFFFAOYSA-N 0 0 412.514 5.837 40 0 HKABRN O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1cccc2ccccc21 ZINC000409053386 558898699 /nfs/dbraw/zinc/89/86/99/558898699.db2.gz CFWXBDNNMXZHQY-UHFFFAOYSA-N 0 0 412.539 6.944 40 0 HKABRN CC(C)N1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000409053417 560669747 /nfs/dbraw/zinc/66/97/47/560669747.db2.gz JYFVAZRTLWDHPI-NVMNQCDNSA-N 0 0 422.333 6.017 40 0 HKABRN COc1cc2c(cc1C)-c1nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc1CC2 ZINC000409053826 558898599 /nfs/dbraw/zinc/89/85/99/558898599.db2.gz QNDIFIPKAQYADX-UHFFFAOYSA-N 0 0 406.551 5.776 40 0 HKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O ZINC000409054146 560671243 /nfs/dbraw/zinc/67/12/43/560671243.db2.gz NCHUOOSYCMIIRS-MOSHPQCFSA-N 0 0 415.486 5.250 40 0 HKABRN COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccccc3)s2)cc1 ZINC000409054150 560671215 /nfs/dbraw/zinc/67/12/15/560671215.db2.gz RYLYKFCAEZUOKX-UHFFFAOYSA-N 0 0 404.466 5.877 40 0 HKABRN COc1cc2c(cc1C)-c1nc(NC(=O)c3cccc4ccccc43)sc1CC2 ZINC000409054159 558898634 /nfs/dbraw/zinc/89/86/34/558898634.db2.gz NFADFAQAHGOPEL-UHFFFAOYSA-N 0 0 400.503 5.631 40 0 HKABRN COc1c(Cl)cc(Cl)cc1/C=C1\SC(=O)N(c2ccccc2Cl)C1=O ZINC000409054529 558898858 /nfs/dbraw/zinc/89/88/58/558898858.db2.gz BHIRYKGFXUMNCV-AUWJEWJLSA-N 0 0 414.697 5.896 40 0 HKABRN Cc1ccc(NC(=O)c2c(NC(=O)c3ccc(F)cc3)sc3c2CCCC3)cc1 ZINC000409054531 560671348 /nfs/dbraw/zinc/67/13/48/560671348.db2.gz BHSQEJDFODZNEG-UHFFFAOYSA-N 0 0 408.498 5.579 40 0 HKABRN CC(C)N1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000409054566 558898910 /nfs/dbraw/zinc/89/89/10/558898910.db2.gz BYFNIDMTTPHVJO-ZDLGFXPLSA-N 0 0 422.333 6.017 40 0 HKABRN Cc1ccc(NC(=O)c2c(NC(=O)COc3ccccc3)sc3c2CCCC3)cc1 ZINC000409054661 560671375 /nfs/dbraw/zinc/67/13/75/560671375.db2.gz AXPAIGIXKWRRRW-UHFFFAOYSA-N 0 0 420.534 5.205 40 0 HKABRN COc1ccc2c(c1)CCc1sc(NC(=O)c3ccc(-c4ccccc4)cc3)nc1-2 ZINC000409054942 560671399 /nfs/dbraw/zinc/67/13/99/560671399.db2.gz WPQIFVHZCCDFDQ-UHFFFAOYSA-N 0 0 412.514 5.837 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2nc(-c3cccs3)c(-c3ccccc3)s2)cc1 ZINC000409054966 558899111 /nfs/dbraw/zinc/89/91/11/558899111.db2.gz OSRISWIIGYQJJI-UHFFFAOYSA-N 0 0 418.587 7.088 40 0 HKABRN Cc1sc(Nc2c(Cl)cccc2Cl)nc1-c1ccc(Cl)c(Cl)c1 ZINC000409054970 560671423 /nfs/dbraw/zinc/67/14/23/560671423.db2.gz HMFJNIZJAIBQRM-UHFFFAOYSA-N 0 0 404.149 7.476 40 0 HKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)C1=O ZINC000409055086 558899078 /nfs/dbraw/zinc/89/90/78/558899078.db2.gz CINBBYGHXPEWJM-MOSHPQCFSA-N 0 0 415.486 5.250 40 0 HKABRN CC(C)N1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)C1=O ZINC000409055092 560671449 /nfs/dbraw/zinc/67/14/49/560671449.db2.gz JRLRLPXKRKFYQA-ZDLGFXPLSA-N 0 0 405.878 5.503 40 0 HKABRN COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409055178 560671439 /nfs/dbraw/zinc/67/14/39/560671439.db2.gz DFCIVELHDDNLHG-ODLFYWEKSA-N 0 0 417.914 5.372 40 0 HKABRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1cccc2ccccc21 ZINC000409055413 560671550 /nfs/dbraw/zinc/67/15/50/560671550.db2.gz YHTFDFAVELLRJN-UHFFFAOYSA-N 0 0 424.500 7.022 40 0 HKABRN COc1ccc2c(c1)-c1nc(NC(=O)c3ccc(Cl)cc3Cl)sc1CC2 ZINC000409055571 558899394 /nfs/dbraw/zinc/89/93/94/558899394.db2.gz ZROATKWVJGXJRD-UHFFFAOYSA-N 0 0 405.306 5.476 40 0 HKABRN O=C(NC1CCCCC1)c1c2c(sc1NC(=O)c1cccc(Cl)c1)CCCC2 ZINC000409055840 560671584 /nfs/dbraw/zinc/67/15/84/560671584.db2.gz BKLCLHDJHZIWDM-UHFFFAOYSA-N 0 0 416.974 5.595 40 0 HKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)C1=O ZINC000409055848 560671599 /nfs/dbraw/zinc/67/15/99/560671599.db2.gz LCSGOGAOVZONER-UNOMPAQXSA-N 0 0 419.905 5.895 40 0 HKABRN COc1ccccc1N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O ZINC000409056632 558899797 /nfs/dbraw/zinc/89/97/97/558899797.db2.gz NGAQHLHKYQVKJN-UNOMPAQXSA-N 0 0 411.866 5.850 40 0 HKABRN O=C(NC1CCCCC1)c1c2c(sc1NC(=O)c1ccc(F)cc1)CCCC2 ZINC000409056790 558899809 /nfs/dbraw/zinc/89/98/09/558899809.db2.gz IHIJRVIICOEVQS-UHFFFAOYSA-N 0 0 400.519 5.081 40 0 HKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O ZINC000409056804 558899768 /nfs/dbraw/zinc/89/97/68/558899768.db2.gz NZQLDGXCCQHPPR-MOSHPQCFSA-N 0 0 415.486 5.250 40 0 HKABRN CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(OCC)c1 ZINC000409056855 560670350 /nfs/dbraw/zinc/67/03/50/560670350.db2.gz OPLPSDDNVKRCEQ-WQRHYEAKSA-N 0 0 403.887 5.378 40 0 HKABRN CC(C)N1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)C1=O ZINC000409056873 558899774 /nfs/dbraw/zinc/89/97/74/558899774.db2.gz OZPBSYHUXAEXAU-ZDLGFXPLSA-N 0 0 405.878 5.503 40 0 HKABRN O=C1S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ccccc1Cl ZINC000409057352 560670497 /nfs/dbraw/zinc/67/04/97/560670497.db2.gz KXEQAONQSAOTTA-STZFKDTASA-N 0 0 421.905 6.160 40 0 HKABRN CC(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000409057947 558897366 /nfs/dbraw/zinc/89/73/66/558897366.db2.gz XBJFGBFONNJGCE-UHFFFAOYSA-N 0 0 406.570 5.598 40 0 HKABRN CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1Cl ZINC000409058296 568503616 /nfs/dbraw/zinc/50/36/16/568503616.db2.gz NNEKIPFOSHXNCO-YBEGLDIGSA-N 0 0 424.305 5.642 40 0 HKABRN COc1ccc2c(c1)CCc1sc(NC(=O)c3ccc(Cl)cc3Cl)nc1-2 ZINC000409058404 558897317 /nfs/dbraw/zinc/89/73/17/558897317.db2.gz XPMFBWPZKZBVTK-UHFFFAOYSA-N 0 0 405.306 5.476 40 0 HKABRN CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(c2ccccc2OC)C1=O ZINC000409058490 568503557 /nfs/dbraw/zinc/50/35/57/568503557.db2.gz NKMFGUXOIKNYRX-STZFKDTASA-N 0 0 405.475 5.488 40 0 HKABRN Clc1ccc(-c2cc(-c3ccc(OCc4ccccc4)cc3)n3ncnc3n2)cc1 ZINC000409058654 558897849 /nfs/dbraw/zinc/89/78/49/558897849.db2.gz UOMRQNWMFZPNOB-UHFFFAOYSA-N 0 0 412.880 5.691 40 0 HKABRN CCOC(=O)c1sc(NC(=O)c2ccccc2C)c(C(=O)Nc2ccccc2)c1C ZINC000409058936 558897741 /nfs/dbraw/zinc/89/77/41/558897741.db2.gz ZTBDXBOVZMFWSK-UHFFFAOYSA-N 0 0 422.506 5.046 40 0 HKABRN COc1ccccc1N1C(=O)S/C(=C\c2ccccc2OCc2ccccc2)C1=O ZINC000409058971 560670849 /nfs/dbraw/zinc/67/08/49/560670849.db2.gz PZFLIGFEUHHAAH-JCMHNJIXSA-N 0 0 417.486 5.515 40 0 HKABRN COc1ccc(Br)cc1/C=C1\SC(=O)N(c2ccccc2Cl)C1=O ZINC000409058997 560670893 /nfs/dbraw/zinc/67/08/93/560670893.db2.gz QEFYQXWKXFBLQR-DHDCSXOGSA-N 0 0 424.703 5.352 40 0 HKABRN COc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1Br ZINC000409059298 558904033 /nfs/dbraw/zinc/90/40/33/558904033.db2.gz MHBRRFVOJKCQBU-DHDCSXOGSA-N 0 0 424.703 5.352 40 0 HKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000409059574 560670993 /nfs/dbraw/zinc/67/09/93/560670993.db2.gz SEYIYITYCQGWCH-UNOMPAQXSA-N 0 0 419.905 5.895 40 0 HKABRN CC(C)N1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000409059744 558905482 /nfs/dbraw/zinc/90/54/82/558905482.db2.gz NYUCGKNDLLZVHS-ZDLGFXPLSA-N 0 0 405.878 5.503 40 0 HKABRN CCOc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)ccc1OCc1ccccc1F ZINC000409059945 558906336 /nfs/dbraw/zinc/90/63/36/558906336.db2.gz YZZVTOVKCNVVED-NDENLUEZSA-N 0 0 415.486 5.248 40 0 HKABRN O=C1S/C(=C\c2ccccc2OCc2ccccc2)C(=O)N1c1ccccc1Cl ZINC000409060108 560671081 /nfs/dbraw/zinc/67/10/81/560671081.db2.gz STUXNMWKRGSHFF-STZFKDTASA-N 0 0 421.905 6.160 40 0 HKABRN Cc1sc(Nc2c(Cl)cccc2Cl)nc1-c1ccc(Br)cc1 ZINC000409060180 558907047 /nfs/dbraw/zinc/90/70/47/558907047.db2.gz YCFQBWCASSGKKR-UHFFFAOYSA-N 0 0 414.155 6.931 40 0 HKABRN CCCCN1C(=O)S/C(=C\c2cn(Cc3cccc(F)c3)c3ccccc23)C1=O ZINC000409060304 558907709 /nfs/dbraw/zinc/90/77/09/558907709.db2.gz PKVDZWFURGXUQI-BKUYFWCQSA-N 0 0 408.498 5.665 40 0 HKABRN COc1cc(C)c(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1C(C)C ZINC000409060336 558907661 /nfs/dbraw/zinc/90/76/61/558907661.db2.gz QAXUYKCCBDCVJM-ODLFYWEKSA-N 0 0 401.915 6.021 40 0 HKABRN O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1c1ccccc1Cl ZINC000409060453 560671045 /nfs/dbraw/zinc/67/10/45/560671045.db2.gz VKJOHSNGESPSDZ-WQRHYEAKSA-N 0 0 416.285 6.494 40 0 HKABRN O=C1S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1ccccc1Cl ZINC000409060488 560671172 /nfs/dbraw/zinc/67/11/72/560671172.db2.gz WHOBADZNAZZWTC-WQRHYEAKSA-N 0 0 416.285 6.494 40 0 HKABRN Cc1nc2c(-c3ccc(Cl)cc3)c(-c3ccccc3)nn2c(N)c1-c1ccccc1 ZINC000409060788 558900020 /nfs/dbraw/zinc/90/00/20/558900020.db2.gz VYMXCSQLFBENRY-UHFFFAOYSA-N 0 0 410.908 6.274 40 0 HKABRN CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(c2ccccc2Cl)C1=O ZINC000409060810 558899988 /nfs/dbraw/zinc/89/99/88/558899988.db2.gz YFBJIJIDHURQIE-MOSHPQCFSA-N 0 0 409.894 6.133 40 0 HKABRN COc1ccc2ccc(OC)c(/C=C3\SC(=O)N(c4ccccc4OC)C3=O)c2c1 ZINC000409061233 568503786 /nfs/dbraw/zinc/50/37/86/568503786.db2.gz YHAMGBDLFMDWCY-BKUYFWCQSA-N 0 0 421.474 5.107 40 0 HKABRN CCOc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(C)cc1OC ZINC000409061234 558900025 /nfs/dbraw/zinc/90/00/25/558900025.db2.gz CCBCJQYIRVHICY-WQRHYEAKSA-N 0 0 403.887 5.297 40 0 HKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)C1=O ZINC000409061538 560671631 /nfs/dbraw/zinc/67/16/31/560671631.db2.gz FECANNFWWHFTDD-UNOMPAQXSA-N 0 0 419.905 5.895 40 0 HKABRN Cc1nn(-c2ccccc2)c2nc(-c3ccc(C)cc3)cc(-c3ccc(Cl)cc3)c12 ZINC000409061724 558900003 /nfs/dbraw/zinc/90/00/03/558900003.db2.gz GTXLKGANRBENON-UHFFFAOYSA-N 0 0 409.920 7.025 40 0 HKABRN CCOc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1O ZINC000409061786 560671735 /nfs/dbraw/zinc/67/17/35/560671735.db2.gz IAJWQYDADCIUTD-DHDCSXOGSA-N 0 0 410.278 5.339 40 0 HKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3)c(OCC)c2)C1=O ZINC000409061964 560671815 /nfs/dbraw/zinc/67/18/15/560671815.db2.gz KRMMGYKUQHYXOJ-QNGOZBTKSA-N 0 0 411.523 5.501 40 0 HKABRN O=C(Nc1ccccc1Cl)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000409062763 560671941 /nfs/dbraw/zinc/67/19/41/560671941.db2.gz AMRBRWQEANZKHM-UHFFFAOYSA-N 0 0 418.924 5.498 40 0 HKABRN Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1C ZINC000409062774 558900190 /nfs/dbraw/zinc/90/01/90/558900190.db2.gz APNBDMJFZTWNQX-UHFFFAOYSA-N 0 0 412.533 5.461 40 0 HKABRN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c(C)c1 ZINC000409063170 560672018 /nfs/dbraw/zinc/67/20/18/560672018.db2.gz HXQABMXNMCYARP-UHFFFAOYSA-N 0 0 412.533 5.461 40 0 HKABRN O=C(NC1CCCCCC1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000409063180 558900094 /nfs/dbraw/zinc/90/00/94/558900094.db2.gz IFOYWHDTUCXBKJ-UHFFFAOYSA-N 0 0 404.554 5.045 40 0 HKABRN Cc1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000409063224 558900196 /nfs/dbraw/zinc/90/01/96/558900196.db2.gz IXVZFHSQYLORAI-UHFFFAOYSA-N 0 0 412.533 5.461 40 0 HKABRN C[C@H](NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1 ZINC000409063438 558900174 /nfs/dbraw/zinc/90/01/74/558900174.db2.gz KUAXGMZYUBBOAQ-FQEVSTJZSA-N 0 0 412.533 5.083 40 0 HKABRN C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1 ZINC000409063439 558900178 /nfs/dbraw/zinc/90/01/78/558900178.db2.gz KUAXGMZYUBBOAQ-HXUWFJFHSA-N 0 0 412.533 5.083 40 0 HKABRN O=C(Nc1cc(C23CC4CC(CC(C4)C2)C3)ccc1Br)c1ccccc1 ZINC000409063540 558900185 /nfs/dbraw/zinc/90/01/85/558900185.db2.gz MGVYVHLYVSCJHV-UHFFFAOYSA-N 0 0 410.355 6.169 40 0 HKABRN CCOc1cc(C)c(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1C(C)C ZINC000409063682 560672140 /nfs/dbraw/zinc/67/21/40/560672140.db2.gz AYJHOZGBEQJJNK-BKUYFWCQSA-N 0 0 411.523 5.767 40 0 HKABRN COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409063705 558900198 /nfs/dbraw/zinc/90/01/98/558900198.db2.gz BFKYHXCYFPJLSB-JCMHNJIXSA-N 0 0 417.486 5.515 40 0 HKABRN CCc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000409063767 560672118 /nfs/dbraw/zinc/67/21/18/560672118.db2.gz MXASPCMTWRKGCR-UHFFFAOYSA-N 0 0 412.533 5.407 40 0 HKABRN O=C(NCc1ccccc1)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCCC2 ZINC000409064540 558900781 /nfs/dbraw/zinc/90/07/81/558900781.db2.gz CUCYTUREFLUXHO-UHFFFAOYSA-N 0 0 424.953 5.463 40 0 HKABRN Cc1cc(C)cc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000409064581 558900882 /nfs/dbraw/zinc/90/08/82/558900882.db2.gz DKVHJQAONRKZIV-UHFFFAOYSA-N 0 0 412.533 5.461 40 0 HKABRN CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)C1=O ZINC000409065022 558901037 /nfs/dbraw/zinc/90/10/37/558901037.db2.gz KHVNAOJPCSVQQB-WOJGMQOQSA-N 0 0 417.914 5.292 40 0 HKABRN CCN1C(=O)S/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C1=O ZINC000409065073 558900949 /nfs/dbraw/zinc/90/09/49/558900949.db2.gz HDGQSCFFYQCFOT-FYJGNVAPSA-N 0 0 423.921 6.128 40 0 HKABRN CCN1C(=O)S/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)C1=O ZINC000409065382 558901494 /nfs/dbraw/zinc/90/14/94/558901494.db2.gz LFWBNFQLCBPCPG-OEAKJJBVSA-N 0 0 412.514 5.899 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000409065420 560672262 /nfs/dbraw/zinc/67/22/62/560672262.db2.gz SBLZURKLLIBKDK-UHFFFAOYSA-N 0 0 418.924 5.498 40 0 HKABRN CCN1C(=O)S/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc32)C1=O ZINC000409065509 558901385 /nfs/dbraw/zinc/90/13/85/558901385.db2.gz MFBWRSWDPAUMNJ-FYJGNVAPSA-N 0 0 423.921 6.128 40 0 HKABRN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1C ZINC000409065837 558901610 /nfs/dbraw/zinc/90/16/10/558901610.db2.gz URNMWQXAPKRTLJ-UHFFFAOYSA-N 0 0 412.533 5.461 40 0 HKABRN O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000409065954 558901819 /nfs/dbraw/zinc/90/18/19/558901819.db2.gz VIOBJHGJLIQERV-UHFFFAOYSA-N 0 0 418.924 5.498 40 0 HKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)C1=O ZINC000409067129 560672487 /nfs/dbraw/zinc/67/24/87/560672487.db2.gz JMAXRZLPKCPSRS-KQWNVCNZSA-N 0 0 417.530 6.255 40 0 HKABRN O=C1N/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccccc1 ZINC000409067627 558911869 /nfs/dbraw/zinc/91/18/69/558911869.db2.gz GOBQEOUEXLWQDE-STZFKDTASA-N 0 0 420.921 5.584 40 0 HKABRN O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1cccc(OCc2ccc(F)cc2)c1 ZINC000409067955 560672623 /nfs/dbraw/zinc/67/26/23/560672623.db2.gz RPOPNFULPSRWIZ-CIAFOILYSA-N 0 0 407.828 5.403 40 0 HKABRN O=C1NC(=Cc2ccccc2OCc2cccc(F)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409068036 558912641 /nfs/dbraw/zinc/91/26/41/558912641.db2.gz FKNWRGPPRDGPFW-UDWIEESQSA-N 0 0 422.843 5.155 40 0 HKABRN CCN1C(=O)S/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O ZINC000409068957 560672649 /nfs/dbraw/zinc/67/26/49/560672649.db2.gz SZNNMVSCFLOKDT-OEAKJJBVSA-N 0 0 412.514 5.899 40 0 HKABRN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1cccc(OCc2ccccc2Cl)c1 ZINC000409069775 560673177 /nfs/dbraw/zinc/67/31/77/560673177.db2.gz WMNLUKHOAURAQN-FYJGNVAPSA-N 0 0 424.283 5.917 40 0 HKABRN CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C1=O ZINC000409070434 560673200 /nfs/dbraw/zinc/67/32/00/560673200.db2.gz GIIGHCWHFQVGPR-GZTJUZNOSA-N 0 0 418.312 5.084 40 0 HKABRN Cc1cccc(C2=N/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C(=O)O2)c1 ZINC000409070805 558914168 /nfs/dbraw/zinc/91/41/68/558914168.db2.gz GXHQTXZFYSCHAF-HYARGMPZSA-N 0 0 403.865 5.572 40 0 HKABRN Cc1ccc(-n2cccc2/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409071113 558914150 /nfs/dbraw/zinc/91/41/50/558914150.db2.gz NIUFERXOHIRLRD-XDHOZWIPSA-N 0 0 412.276 5.190 40 0 HKABRN CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C1=O ZINC000409072110 558914115 /nfs/dbraw/zinc/91/41/15/558914115.db2.gz BGYWMSSUKZKIFC-MHWRWJLKSA-N 0 0 408.306 5.629 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409072384 560673463 /nfs/dbraw/zinc/67/34/63/560673463.db2.gz NFYQXRFHWMAYLX-VAKHEIKFSA-N 0 0 405.281 5.268 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409072387 558914140 /nfs/dbraw/zinc/91/41/40/558914140.db2.gz NFYQXRFHWMAYLX-YXHQGMJNSA-N 0 0 405.281 5.268 40 0 HKABRN COc1ccc(C2=N/C(=C/c3cccc(OCc4ccccc4Cl)c3)C(=O)O2)cc1 ZINC000409072578 558914072 /nfs/dbraw/zinc/91/40/72/558914072.db2.gz WBFQHRGDKCSAHC-HYARGMPZSA-N 0 0 419.864 5.272 40 0 HKABRN O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1c1ccccc1 ZINC000409072905 560673623 /nfs/dbraw/zinc/67/36/23/560673623.db2.gz NYKNEHYTFLVIER-ZHZULCJRSA-N 0 0 423.946 6.732 40 0 HKABRN O=C1OC(c2ccc(F)cc2)=N/C1=C/c1cccc(OCc2ccccc2Cl)c1 ZINC000409072920 560673575 /nfs/dbraw/zinc/67/35/75/560673575.db2.gz WJWDCJUJESYCKR-FYJGNVAPSA-N 0 0 407.828 5.403 40 0 HKABRN CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O ZINC000409073102 558915145 /nfs/dbraw/zinc/91/51/45/558915145.db2.gz XHCDSZIYDNCLCB-LICLKQGHSA-N 0 0 408.306 5.629 40 0 HKABRN CCOc1ccc(C2=N/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C(=O)O2)cc1 ZINC000409073159 560673618 /nfs/dbraw/zinc/67/36/18/560673618.db2.gz PFKAMIJWPSKGQN-HZHRSRAPSA-N 0 0 417.436 5.148 40 0 HKABRN CC(C)(C)c1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(C(C)(C)C)c1O ZINC000409073459 560673619 /nfs/dbraw/zinc/67/36/19/560673619.db2.gz NFTBPFOEWWVQLM-DEDYPNTBSA-N 0 0 424.516 5.219 40 0 HKABRN CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000409073716 558915107 /nfs/dbraw/zinc/91/51/07/558915107.db2.gz XBBCIPLQRUBMFT-UDWIEESQSA-N 0 0 410.926 5.708 40 0 HKABRN CCCc1cc(=O)n2nc(-c3cccc(Br)c3)c(-c3ccccc3)c2[nH]1 ZINC000409073862 560673645 /nfs/dbraw/zinc/67/36/45/560673645.db2.gz IZVRZTWAXQNYGI-UHFFFAOYSA-N 0 0 408.299 5.072 40 0 HKABRN O=C1NC(=Cc2ccc(OCc3cccc(F)c3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409073869 560673662 /nfs/dbraw/zinc/67/36/62/560673662.db2.gz NTZWJTVHBVVULD-CIAFOILYSA-N 0 0 422.843 5.155 40 0 HKABRN CCN1C(=O)S/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc32)C1=O ZINC000409074200 558915150 /nfs/dbraw/zinc/91/51/50/558915150.db2.gz KYJJDLCMGUZVCF-FYJGNVAPSA-N 0 0 407.466 5.614 40 0 HKABRN CCOC(=O)Cc1c(C)nc2c(-c3ccc(Cl)cc3)c(-c3ccccc3)nn2c1C ZINC000409074677 558915356 /nfs/dbraw/zinc/91/53/56/558915356.db2.gz WREQNTGFTJZLFQ-UHFFFAOYSA-N 0 0 419.912 5.439 40 0 HKABRN CCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C1=O ZINC000409074800 560672834 /nfs/dbraw/zinc/67/28/34/560672834.db2.gz RSLIPHIPHWLGKI-HYARGMPZSA-N 0 0 419.502 5.484 40 0 HKABRN Cc1ccc(Cl)cc1-c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)o1 ZINC000409075430 560672855 /nfs/dbraw/zinc/67/28/55/560672855.db2.gz YSCPFNVDSYHFPW-WOJGMQOQSA-N 0 0 413.260 5.659 40 0 HKABRN CCOc1cc(C)c(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1C(C)C ZINC000409075717 560672971 /nfs/dbraw/zinc/67/29/71/560672971.db2.gz ZMQLDLJISJKZCI-NDENLUEZSA-N 0 0 415.942 6.411 40 0 HKABRN O=C1OC(c2ccc(F)cc2)=N/C1=C/c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000409075906 558915806 /nfs/dbraw/zinc/91/58/06/558915806.db2.gz VDWXLEVRLHIOEA-FYJGNVAPSA-N 0 0 407.828 5.403 40 0 HKABRN Cc1ccc(COc2ccccc2/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409075940 558915746 /nfs/dbraw/zinc/91/57/46/558915746.db2.gz VZLKVTZFEKTULT-FYJGNVAPSA-N 0 0 418.880 5.325 40 0 HKABRN CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C1=O ZINC000409076022 558915719 /nfs/dbraw/zinc/91/57/19/558915719.db2.gz WPQHTHMOKFCIFT-LICLKQGHSA-N 0 0 422.333 5.937 40 0 HKABRN O=C1C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)NC(=S)N1C1CCCCC1 ZINC000409076496 558919085 /nfs/dbraw/zinc/91/90/85/558919085.db2.gz AEQNSCCKCLOPDC-WJDWOHSUSA-N 0 0 421.349 5.644 40 0 HKABRN O=C1N/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1C1CCCCC1 ZINC000409077429 558920667 /nfs/dbraw/zinc/92/06/67/558920667.db2.gz DRTQUWKTMJMYMG-STZFKDTASA-N 0 0 410.901 5.144 40 0 HKABRN CCOc1cc(C(=O)NCc2cccc3ccccc32)ccc1OCc1ccccc1 ZINC000409078911 558922454 /nfs/dbraw/zinc/92/24/54/558922454.db2.gz JCBSGHJKSHAPOC-UHFFFAOYSA-N 0 0 411.501 5.748 40 0 HKABRN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 ZINC000409079093 558923177 /nfs/dbraw/zinc/92/31/77/558923177.db2.gz KEVPSGOHGCUSQZ-QNGOZBTKSA-N 0 0 424.541 5.137 40 0 HKABRN Cc1cccc(COc2ccccc2/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)c1 ZINC000409079200 558923366 /nfs/dbraw/zinc/92/33/66/558923366.db2.gz KMJHSVAQBOHECB-JWGURIENSA-N 0 0 420.578 5.307 40 0 HKABRN COc1cc(/C=C\[N+](=O)[O-])c(Br)cc1OCc1cccc2ccccc21 ZINC000409079508 558922473 /nfs/dbraw/zinc/92/24/73/558922473.db2.gz BMLPLIDITZYKEL-KTKRTIGZSA-N 0 0 414.255 5.437 40 0 HKABRN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000409080134 558927765 /nfs/dbraw/zinc/92/77/65/558927765.db2.gz LUILPRBAJPVBCY-AQTBWJFISA-N 0 0 400.931 5.333 40 0 HKABRN O=C1N/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1C1CCCCC1 ZINC000409080443 558927996 /nfs/dbraw/zinc/92/79/96/558927996.db2.gz DITGMQVAFOQYNE-ZHZULCJRSA-N 0 0 410.901 5.144 40 0 HKABRN CCOc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)c2c(OCC)cccc12 ZINC000409080447 558928000 /nfs/dbraw/zinc/92/80/00/558928000.db2.gz NTJDGFARNWWAHR-CYVLTUHYSA-N 0 0 424.566 5.028 40 0 HKABRN CCCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)NC1=S ZINC000409080572 560673788 /nfs/dbraw/zinc/67/37/88/560673788.db2.gz LSOYBPINGZQFQN-ZROIWOOFSA-N 0 0 414.836 5.086 40 0 HKABRN CCOc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000409080677 560673814 /nfs/dbraw/zinc/67/38/14/560673814.db2.gz MGINHIQOERBEBM-UHFFFAOYSA-N 0 0 424.880 5.357 40 0 HKABRN CCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)NC1=S ZINC000409081019 558925296 /nfs/dbraw/zinc/92/52/96/558925296.db2.gz OYMNRIICRZAZEB-BOPFTXTBSA-N 0 0 421.349 5.040 40 0 HKABRN CCc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000409081471 558926040 /nfs/dbraw/zinc/92/60/40/558926040.db2.gz PLDPMOPNFISWHF-UHFFFAOYSA-N 0 0 419.352 5.355 40 0 HKABRN O=C1C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC(=S)N1C1CCCCC1 ZINC000409081777 560673854 /nfs/dbraw/zinc/67/38/54/560673854.db2.gz KZYKPQWLOSPSGV-BOPFTXTBSA-N 0 0 421.349 5.644 40 0 HKABRN CCc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000409082020 558928222 /nfs/dbraw/zinc/92/82/22/558928222.db2.gz OZQUVFCMLYKLGR-UHFFFAOYSA-N 0 0 406.570 5.346 40 0 HKABRN O=C1C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)NC(=S)N1C1CCCCC1 ZINC000409082812 560673971 /nfs/dbraw/zinc/67/39/71/560673971.db2.gz SZXDCKGPINQTKM-ATVHPVEESA-N 0 0 420.456 5.356 40 0 HKABRN Cc1ccc(COc2ccc(/C=C3/C(=O)N(C4CCCCC4)C(=S)N3C)cc2)cc1 ZINC000409083011 558928406 /nfs/dbraw/zinc/92/84/06/558928406.db2.gz UMYWDIXDIONUAA-KQWNVCNZSA-N 0 0 420.578 5.307 40 0 HKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 ZINC000409083496 558928620 /nfs/dbraw/zinc/92/86/20/558928620.db2.gz BBLBWKASOTZTJO-UHFFFAOYSA-N 0 0 405.954 6.112 40 0 HKABRN Fc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 ZINC000409083527 560674078 /nfs/dbraw/zinc/67/40/78/560674078.db2.gz BKAMCVMOEJHXQE-UHFFFAOYSA-N 0 0 409.917 5.943 40 0 HKABRN CCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)NC1=S ZINC000409083693 560674057 /nfs/dbraw/zinc/67/40/57/560674057.db2.gz UGFQPKSPWCGAGW-ZDLGFXPLSA-N 0 0 421.349 5.040 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 ZINC000409083968 560674178 /nfs/dbraw/zinc/67/41/78/560674178.db2.gz UZGGKVPSWHVYAS-UHFFFAOYSA-N 0 0 416.304 6.223 40 0 HKABRN Clc1ccc(-n2c(Cc3ccccc3)nnc2SCCCc2ccccc2)cc1 ZINC000409084254 558928363 /nfs/dbraw/zinc/92/83/63/558928363.db2.gz ATQZSXBOQGAIFE-UHFFFAOYSA-N 0 0 419.981 6.236 40 0 HKABRN O=C1N/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1C1CCCCC1 ZINC000409084295 558928307 /nfs/dbraw/zinc/92/83/07/558928307.db2.gz VCPYPYOEDATEFZ-WJDWOHSUSA-N 0 0 405.281 5.479 40 0 HKABRN CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000409084365 560674131 /nfs/dbraw/zinc/67/41/31/560674131.db2.gz CRFWTIXZUXBTPJ-RQZCQDPDSA-N 0 0 408.306 5.629 40 0 HKABRN CCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)NC1=S ZINC000409084871 560674176 /nfs/dbraw/zinc/67/41/76/560674176.db2.gz XTRFIGYPQGXRRV-BOPFTXTBSA-N 0 0 421.349 5.040 40 0 HKABRN O=C1N/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1C1CCCCC1 ZINC000409085278 558929235 /nfs/dbraw/zinc/92/92/35/558929235.db2.gz RWVYBCGJGQCNBW-BOPFTXTBSA-N 0 0 405.281 5.479 40 0 HKABRN Cc1ccc(OCCSc2nnc(-c3ccc(Cl)cc3)n2CC(C)C)cc1 ZINC000409085590 558928770 /nfs/dbraw/zinc/92/87/70/558928770.db2.gz BVQVVPHSFSZYDJ-UHFFFAOYSA-N 0 0 401.963 5.734 40 0 HKABRN CCOc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1 ZINC000409085699 558928718 /nfs/dbraw/zinc/92/87/18/558928718.db2.gz ZQSIZRFSTPHJNT-UHFFFAOYSA-N 0 0 416.304 6.223 40 0 HKABRN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000409085764 558928668 /nfs/dbraw/zinc/92/86/68/558928668.db2.gz ZDMXFPWYGIOOOD-AQTBWJFISA-N 0 0 400.931 5.333 40 0 HKABRN CCCN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)NC1=S ZINC000409085929 560674223 /nfs/dbraw/zinc/67/42/23/560674223.db2.gz XKUMHMRSUTYHJK-YVLHZVERSA-N 0 0 421.349 5.040 40 0 HKABRN O=C1N/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1C1CCCCC1 ZINC000409085942 558928904 /nfs/dbraw/zinc/92/89/04/558928904.db2.gz XPJCJZUFHAFGCY-STZFKDTASA-N 0 0 410.901 5.144 40 0 HKABRN COc1ccc(-n2c(SCc3ccc(C)cc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409086482 558928940 /nfs/dbraw/zinc/92/89/40/558928940.db2.gz DUUAUIXBDGGMBV-UHFFFAOYSA-N 0 0 421.953 6.197 40 0 HKABRN Cc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1C ZINC000409087578 558929087 /nfs/dbraw/zinc/92/90/87/558929087.db2.gz IVAWWLLCICRXJH-UHFFFAOYSA-N 0 0 405.954 6.497 40 0 HKABRN CCc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409087635 558929124 /nfs/dbraw/zinc/92/91/24/558929124.db2.gz JFWIPTLOQYWQKO-UHFFFAOYSA-N 0 0 405.954 6.442 40 0 HKABRN Cc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1-c1ccc(C)c(C)c1 ZINC000409087678 560674967 /nfs/dbraw/zinc/67/49/67/560674967.db2.gz JJLLEOZISHXMCU-UHFFFAOYSA-N 0 0 421.353 5.230 40 0 HKABRN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)c1 ZINC000409088430 558929645 /nfs/dbraw/zinc/92/96/45/558929645.db2.gz LUTGKRMPPGXNKL-UHFFFAOYSA-N 0 0 405.954 6.112 40 0 HKABRN O=C(Nc1c(F)cccc1F)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000409088972 558929855 /nfs/dbraw/zinc/92/98/55/558929855.db2.gz LGLGKBHYCOMVFE-UHFFFAOYSA-N 0 0 420.459 5.123 40 0 HKABRN Cc1ccc(OCCSc2nnc(Cc3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000409089000 560675066 /nfs/dbraw/zinc/67/50/66/560675066.db2.gz MNYRIQHSRFJIRS-UHFFFAOYSA-N 0 0 415.562 5.646 40 0 HKABRN O=C1C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)NC(=S)N1C1CCCCC1 ZINC000409089306 560675182 /nfs/dbraw/zinc/67/51/82/560675182.db2.gz IIYIZXLWBHGYHM-BOPFTXTBSA-N 0 0 421.349 5.644 40 0 HKABRN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1CC(C)C ZINC000409089468 558930203 /nfs/dbraw/zinc/93/02/03/558930203.db2.gz MLNDGDRJVPYSRB-UHFFFAOYSA-N 0 0 408.571 5.203 40 0 HKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc3ccccc3c2)cc1 ZINC000409089602 558930225 /nfs/dbraw/zinc/93/02/25/558930225.db2.gz OFQXHEMCNWPSIV-UHFFFAOYSA-N 0 0 421.569 6.612 40 0 HKABRN CC(C)Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 ZINC000409089984 560675208 /nfs/dbraw/zinc/67/52/08/560675208.db2.gz POFDRACFRVKGMD-UHFFFAOYSA-N 0 0 418.925 5.124 40 0 HKABRN COc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccccc2)cc1 ZINC000409090028 560675152 /nfs/dbraw/zinc/67/51/52/560675152.db2.gz PVVIMWZAGSJOGG-UHFFFAOYSA-N 0 0 417.534 5.038 40 0 HKABRN CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000409090046 558930091 /nfs/dbraw/zinc/93/00/91/558930091.db2.gz PYNRUOUIFDMXFI-RQZCQDPDSA-N 0 0 408.306 5.629 40 0 HKABRN Cc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccccc2)cc1 ZINC000409090072 558930078 /nfs/dbraw/zinc/93/00/78/558930078.db2.gz QGEKSVAUWMYEAT-UHFFFAOYSA-N 0 0 407.542 6.688 40 0 HKABRN CC(C)Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1 ZINC000409090077 558930063 /nfs/dbraw/zinc/93/00/63/558930063.db2.gz QIIXUYBYPXMPLC-UHFFFAOYSA-N 0 0 418.925 5.124 40 0 HKABRN CCOc1c(Cl)cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1Cl ZINC000409090763 560675337 /nfs/dbraw/zinc/67/53/37/560675337.db2.gz OMTKOLQXTFZFEK-WJDWOHSUSA-N 0 0 413.370 5.125 40 0 HKABRN CC(C)Cn1c(Cc2ccccc2)nnc1SCc1ccc(Br)cc1 ZINC000409090980 558930442 /nfs/dbraw/zinc/93/04/42/558930442.db2.gz SBKBRHUWLLCIOJ-UHFFFAOYSA-N 0 0 416.388 5.580 40 0 HKABRN O=C1NC(=Cc2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409091066 560675301 /nfs/dbraw/zinc/67/53/01/560675301.db2.gz STAXPKCYOCXMLQ-CIAFOILYSA-N 0 0 422.843 5.155 40 0 HKABRN CCOc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 ZINC000409091204 560675396 /nfs/dbraw/zinc/67/53/96/560675396.db2.gz RKQWKIAYZJXHPV-UHFFFAOYSA-N 0 0 416.304 6.223 40 0 HKABRN CCOc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccccc2)cc1 ZINC000409091410 558930513 /nfs/dbraw/zinc/93/05/13/558930513.db2.gz UEBUDKQDPMVLKL-UHFFFAOYSA-N 0 0 417.534 5.504 40 0 HKABRN O=C1Nc2ccccc2S/C1=C\c1ccc(OCc2cccc3ccccc32)cc1 ZINC000409091440 560675409 /nfs/dbraw/zinc/67/54/09/560675409.db2.gz ULSLPEOQWTWSPO-XYGWBWBKSA-N 0 0 409.510 6.504 40 0 HKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCCCc2ccccc2)cc1C ZINC000409091563 558930497 /nfs/dbraw/zinc/93/04/97/558930497.db2.gz VFXVHSMCPPLODT-UHFFFAOYSA-N 0 0 413.590 6.200 40 0 HKABRN Cc1ccc(COc2ccccc2/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1 ZINC000409092079 560675413 /nfs/dbraw/zinc/67/54/13/560675413.db2.gz STESNUCMHHULGR-JWGURIENSA-N 0 0 420.578 5.307 40 0 HKABRN O=C1N/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1C1CCCCC1 ZINC000409092087 558930834 /nfs/dbraw/zinc/93/08/34/558930834.db2.gz SVNZWPSBQSZJHL-ATVHPVEESA-N 0 0 404.388 5.191 40 0 HKABRN O=C1N/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)N1C1CCCCC1 ZINC000409093159 558931324 /nfs/dbraw/zinc/93/13/24/558931324.db2.gz YOIXDYRXVHMIJP-ZHZULCJRSA-N 0 0 410.901 5.144 40 0 HKABRN O=C1N/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1C1CCCCC1 ZINC000409093189 558931309 /nfs/dbraw/zinc/93/13/09/558931309.db2.gz XYPSGDBNSQETMC-BOPFTXTBSA-N 0 0 405.281 5.479 40 0 HKABRN CCc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)n1CC(C)C ZINC000409093573 558931327 /nfs/dbraw/zinc/93/13/27/558931327.db2.gz AUHIRIBHHDSQLE-UHFFFAOYSA-N 0 0 422.598 5.127 40 0 HKABRN CCCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC000409093716 558931322 /nfs/dbraw/zinc/93/13/22/558931322.db2.gz AQINWJFGUYHFOA-UHFFFAOYSA-N 0 0 412.773 6.608 40 0 HKABRN Cc1cccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccncc2)c1 ZINC000409093730 560674606 /nfs/dbraw/zinc/67/46/06/560674606.db2.gz BITLZHOLCVXGIU-UHFFFAOYSA-N 0 0 420.925 5.266 40 0 HKABRN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2cccc3ccccc32)c1 ZINC000409093739 558931304 /nfs/dbraw/zinc/93/13/04/558931304.db2.gz BJRYKARZJPNELO-UHFFFAOYSA-N 0 0 421.569 6.612 40 0 HKABRN Cc1cccc(-n2c(SCC(=O)N3[C@H](C)CCC[C@@H]3C)nnc2-c2ccccc2)c1 ZINC000409093831 558931332 /nfs/dbraw/zinc/93/13/32/558931332.db2.gz APSAKCVBIDVWHU-KDURUIRLSA-N 0 0 420.582 5.124 40 0 HKABRN Cc1cccc(-n2c(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nnc2-c2ccccc2)c1 ZINC000409093832 558931302 /nfs/dbraw/zinc/93/13/02/558931302.db2.gz APSAKCVBIDVWHU-OALUTQOASA-N 0 0 420.582 5.124 40 0 HKABRN Cc1cccc(-n2c(SCC(=O)N3[C@H](C)CCC[C@H]3C)nnc2-c2ccccc2)c1 ZINC000409093833 558931254 /nfs/dbraw/zinc/93/12/54/558931254.db2.gz APSAKCVBIDVWHU-RTBURBONSA-N 0 0 420.582 5.124 40 0 HKABRN Fc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(F)cc2)cc1 ZINC000409093847 558931547 /nfs/dbraw/zinc/93/15/47/558931547.db2.gz AWFBQPJDAZPTRR-UHFFFAOYSA-N 0 0 413.880 6.158 40 0 HKABRN CCc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409094004 560674586 /nfs/dbraw/zinc/67/45/86/560674586.db2.gz CHRANHDMGNSATD-UHFFFAOYSA-N 0 0 423.944 6.582 40 0 HKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc3ccccc32)cc1 ZINC000409094030 560674578 /nfs/dbraw/zinc/67/45/78/560674578.db2.gz CQTXYURYJIYRMQ-UHFFFAOYSA-N 0 0 421.569 6.612 40 0 HKABRN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC(C)C)cc1Cl ZINC000409094053 558931447 /nfs/dbraw/zinc/93/14/47/558931447.db2.gz CVYNLXPRCDIPAC-UHFFFAOYSA-N 0 0 414.962 5.294 40 0 HKABRN COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 ZINC000409094137 560674691 /nfs/dbraw/zinc/67/46/91/560674691.db2.gz CEVWWKUPBHTHCZ-UHFFFAOYSA-N 0 0 421.953 5.812 40 0 HKABRN COc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409094332 560674657 /nfs/dbraw/zinc/67/46/57/560674657.db2.gz DDPPHURTAJHVFE-UHFFFAOYSA-N 0 0 421.953 5.931 40 0 HKABRN Cc1cccc(COc2ccc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)c1 ZINC000409094406 558931508 /nfs/dbraw/zinc/93/15/08/558931508.db2.gz FAFFORAWHZYSJB-LPYMAVHISA-N 0 0 418.880 5.325 40 0 HKABRN COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 ZINC000409094426 558931512 /nfs/dbraw/zinc/93/15/12/558931512.db2.gz DBVFFKYIEVFMQB-UHFFFAOYSA-N 0 0 405.498 5.298 40 0 HKABRN CC(C)Cn1c(SCc2cccc3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000409094581 558931029 /nfs/dbraw/zinc/93/10/29/558931029.db2.gz FBLOYPGHRJWONM-UHFFFAOYSA-N 0 0 407.970 6.700 40 0 HKABRN Clc1ccccc1OCCSc1nnc(Cc2ccccc2)n1-c1ccccc1 ZINC000409094733 560674668 /nfs/dbraw/zinc/67/46/68/560674668.db2.gz FQWCVXLYHRKUJP-UHFFFAOYSA-N 0 0 421.953 5.683 40 0 HKABRN COc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccccc2)cc1 ZINC000409094746 560674656 /nfs/dbraw/zinc/67/46/56/560674656.db2.gz FUHLPLLLWASRMC-UHFFFAOYSA-N 0 0 423.541 6.388 40 0 HKABRN Cc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409094890 560674763 /nfs/dbraw/zinc/67/47/63/560674763.db2.gz GMGROGRNOQPYNS-UHFFFAOYSA-N 0 0 405.954 6.231 40 0 HKABRN CCCn1c(SCCOc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000409094986 560674773 /nfs/dbraw/zinc/67/47/73/560674773.db2.gz GWZLBRUSFIQDDQ-UHFFFAOYSA-N 0 0 408.354 5.833 40 0 HKABRN CCCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1 ZINC000409094988 560674791 /nfs/dbraw/zinc/67/47/91/560674791.db2.gz GXHSKGZBILTFDE-UHFFFAOYSA-N 0 0 421.353 5.393 40 0 HKABRN O=C1NC(=Cc2ccc(OCc3ccccc3F)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409095330 558931704 /nfs/dbraw/zinc/93/17/04/558931704.db2.gz HEKIAQWOSLULIU-CIAFOILYSA-N 0 0 422.843 5.155 40 0 HKABRN Clc1ccc(-n2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 ZINC000409095646 558931709 /nfs/dbraw/zinc/93/17/09/558931709.db2.gz HYKGCOQALKGGHH-UHFFFAOYSA-N 0 0 405.954 5.846 40 0 HKABRN CCCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000409095661 558931910 /nfs/dbraw/zinc/93/19/10/558931910.db2.gz INGMFAOKKYKNMD-UHFFFAOYSA-N 0 0 412.773 6.608 40 0 HKABRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccccc1OCc1cccc(F)c1 ZINC000409095687 558931907 /nfs/dbraw/zinc/93/19/07/558931907.db2.gz IDWVXSKMXVLTJR-ODLFYWEKSA-N 0 0 413.370 5.916 40 0 HKABRN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 ZINC000409095713 558931881 /nfs/dbraw/zinc/93/18/81/558931881.db2.gz IIVUPHCBGLHMCN-UHFFFAOYSA-N 0 0 419.525 5.688 40 0 HKABRN Cc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1C ZINC000409095772 558931525 /nfs/dbraw/zinc/93/15/25/558931525.db2.gz IVBKCCOHVIRZHK-UHFFFAOYSA-N 0 0 405.954 6.497 40 0 HKABRN COc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409095780 560675746 /nfs/dbraw/zinc/67/57/46/560675746.db2.gz IWVFNIWCFXWQNL-UHFFFAOYSA-N 0 0 407.926 5.889 40 0 HKABRN Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC(C)C)c1 ZINC000409095855 560675795 /nfs/dbraw/zinc/67/57/95/560675795.db2.gz DPPHEQRGSUSLMW-UHFFFAOYSA-N 0 0 414.962 5.294 40 0 HKABRN CCOc1ccc(-n2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)cc1 ZINC000409095877 558931528 /nfs/dbraw/zinc/93/15/28/558931528.db2.gz IOCDUWLFFGTJRK-UHFFFAOYSA-N 0 0 401.535 5.934 40 0 HKABRN Cc1ccc(OCCSc2nnc(-c3ccccc3)n2-c2cccc(C)c2)cc1 ZINC000409095991 558931913 /nfs/dbraw/zinc/93/19/13/558931913.db2.gz CDWCUXUKBNMEDR-UHFFFAOYSA-N 0 0 401.535 5.722 40 0 HKABRN CCOc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1 ZINC000409096032 558931948 /nfs/dbraw/zinc/93/19/48/558931948.db2.gz JJOKUVDLHLAQJK-UHFFFAOYSA-N 0 0 405.498 5.764 40 0 HKABRN O=C1Nc2ccccc2S/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000409096051 558931935 /nfs/dbraw/zinc/93/19/35/558931935.db2.gz JJBGTPHQEWBWPP-QRVIBDJDSA-N 0 0 416.933 6.428 40 0 HKABRN CCc1ccc(-n2c(Cc3ccccc3)nnc2SCCCc2ccccc2)cc1 ZINC000409096155 560675781 /nfs/dbraw/zinc/67/57/81/560675781.db2.gz JNVLAIVKKWYFOI-UHFFFAOYSA-N 0 0 413.590 6.145 40 0 HKABRN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2ccc3ccccc3c2)c1 ZINC000409096333 560675803 /nfs/dbraw/zinc/67/58/03/560675803.db2.gz KTLSWWZFWYRIIV-UHFFFAOYSA-N 0 0 421.569 6.612 40 0 HKABRN Cc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000409096437 560675863 /nfs/dbraw/zinc/67/58/63/560675863.db2.gz FRUWZSXDXCCKEG-UHFFFAOYSA-N 0 0 405.954 6.112 40 0 HKABRN CC(C)Cn1c(SCc2ccc3ccccc3c2)nnc1-c1ccc(Cl)cc1 ZINC000409096486 558932083 /nfs/dbraw/zinc/93/20/83/558932083.db2.gz LEYWBGFZPUAFDT-UHFFFAOYSA-N 0 0 407.970 6.700 40 0 HKABRN CCc1ccc(-n2c(SCCOc3ccc(C)cc3)nnc2-c2ccccc2)cc1 ZINC000409096663 558932016 /nfs/dbraw/zinc/93/20/16/558932016.db2.gz LSUMCGMVFQTVCB-UHFFFAOYSA-N 0 0 415.562 5.976 40 0 HKABRN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 ZINC000409096671 560675849 /nfs/dbraw/zinc/67/58/49/560675849.db2.gz DUORVABEBGFCDQ-UHFFFAOYSA-N 0 0 405.954 6.112 40 0 HKABRN O=C1Nc2ccccc2S/C1=C\c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000409096772 558932042 /nfs/dbraw/zinc/93/20/42/558932042.db2.gz KNGIJIASPWDIIT-QRVIBDJDSA-N 0 0 416.933 6.428 40 0 HKABRN Cc1cccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)c1 ZINC000409096774 558932059 /nfs/dbraw/zinc/93/20/59/558932059.db2.gz LALDNPKMEZCCGI-UHFFFAOYSA-N 0 0 405.954 6.112 40 0 HKABRN Cc1ccc(-c2ccc(/C=C3\Sc4ccccc4NC3=O)o2)c(Br)c1 ZINC000409096788 560675879 /nfs/dbraw/zinc/67/58/79/560675879.db2.gz KNUOPWSUPHZPMD-ODLFYWEKSA-N 0 0 412.308 6.103 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2)n1CC(C)C ZINC000409096904 558932055 /nfs/dbraw/zinc/93/20/55/558932055.db2.gz GYOPVEOZYVVNOQ-UHFFFAOYSA-N 0 0 414.962 5.294 40 0 HKABRN Cc1ccc(COc2ccccc2/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1 ZINC000409096965 558932074 /nfs/dbraw/zinc/93/20/74/558932074.db2.gz LRWPWQRLMVHJPK-NDENLUEZSA-N 0 0 409.407 6.086 40 0 HKABRN CCCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 ZINC000409096979 560675949 /nfs/dbraw/zinc/67/59/49/560675949.db2.gz FMGKAVVKUHHIHH-UHFFFAOYSA-N 0 0 420.460 5.105 40 0 HKABRN CC(C)Cn1c(Cc2ccccc2)nnc1SCCOc1ccccc1Cl ZINC000409097013 560675993 /nfs/dbraw/zinc/67/59/93/560675993.db2.gz LTXHBUYPFXYUFO-UHFFFAOYSA-N 0 0 401.963 5.349 40 0 HKABRN CC(C)Cn1c(SCCOc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000409097171 558932029 /nfs/dbraw/zinc/93/20/29/558932029.db2.gz FZGRNTIPSDRAGS-UHFFFAOYSA-N 0 0 422.381 6.079 40 0 HKABRN CCc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 ZINC000409097208 560675970 /nfs/dbraw/zinc/67/59/70/560675970.db2.gz NEUAPYOUQFBGPD-UHFFFAOYSA-N 0 0 419.981 6.366 40 0 HKABRN CCOc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccccc1 ZINC000409097214 558932267 /nfs/dbraw/zinc/93/22/67/558932267.db2.gz NEYMSGBNPOHMGJ-HAHDFKILSA-N 0 0 403.503 5.750 40 0 HKABRN Fc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409097232 560675994 /nfs/dbraw/zinc/67/59/94/560675994.db2.gz LUFHOHSZKWOVIQ-UHFFFAOYSA-N 0 0 409.917 6.062 40 0 HKABRN CCOc1c(Cl)cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1Cl ZINC000409097409 560675985 /nfs/dbraw/zinc/67/59/85/560675985.db2.gz NOAPKROXEUUXDT-XGICHPGQSA-N 0 0 402.199 5.904 40 0 HKABRN COc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccccc2)cc1 ZINC000409097470 558932302 /nfs/dbraw/zinc/93/23/02/558932302.db2.gz IQKPUYFITLXARW-UHFFFAOYSA-N 0 0 401.535 5.668 40 0 HKABRN CCc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 ZINC000409097498 560676048 /nfs/dbraw/zinc/67/60/48/560676048.db2.gz IROQLGDILKLUKJ-UHFFFAOYSA-N 0 0 403.526 5.852 40 0 HKABRN c1ccc(Cc2nnc(SCc3ccc4ccccc4c3)n2-c2ccccc2)cc1 ZINC000409097530 560676002 /nfs/dbraw/zinc/67/60/02/560676002.db2.gz GXCXUKJJWZALAL-UHFFFAOYSA-N 0 0 407.542 6.304 40 0 HKABRN CCc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 ZINC000409097570 558932324 /nfs/dbraw/zinc/93/23/24/558932324.db2.gz OIIOPFDHQGXFAI-UHFFFAOYSA-N 0 0 405.954 6.442 40 0 HKABRN Cc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000409097616 560676017 /nfs/dbraw/zinc/67/60/17/560676017.db2.gz MVTJRZSJXZBFKJ-UHFFFAOYSA-N 0 0 421.353 5.230 40 0 HKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccccc2)cc1 ZINC000409097662 560676009 /nfs/dbraw/zinc/67/60/09/560676009.db2.gz NROXMVNPMLMDKU-UHFFFAOYSA-N 0 0 401.535 5.338 40 0 HKABRN COc1cc(/C=C2\Sc3ccccc3NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000409097988 558932209 /nfs/dbraw/zinc/93/22/09/558932209.db2.gz JSYXYWIMIYFMSY-BKUYFWCQSA-N 0 0 423.921 6.013 40 0 HKABRN CC(C)(C)c1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2(O)C(F)(F)F)cc1 ZINC000409098047 558932252 /nfs/dbraw/zinc/93/22/52/558932252.db2.gz IEXLYHXEQWAWHI-GSHUGGBRSA-N 0 0 424.507 5.509 40 0 HKABRN CC(C)(C)c1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2(O)C(F)(F)F)cc1 ZINC000409098050 558932246 /nfs/dbraw/zinc/93/22/46/558932246.db2.gz IEXLYHXEQWAWHI-HOIFWPIMSA-N 0 0 424.507 5.509 40 0 HKABRN CC(C)(C)c1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2(O)C(F)(F)F)cc1 ZINC000409098053 558932321 /nfs/dbraw/zinc/93/23/21/558932321.db2.gz IEXLYHXEQWAWHI-JKSBSHDWSA-N 0 0 424.507 5.509 40 0 HKABRN CC(C)(C)c1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2(O)C(F)(F)F)cc1 ZINC000409098059 558932308 /nfs/dbraw/zinc/93/23/08/558932308.db2.gz IEXLYHXEQWAWHI-PNLZDCPESA-N 0 0 424.507 5.509 40 0 HKABRN COc1ccc(-n2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 ZINC000409098266 560676283 /nfs/dbraw/zinc/67/62/83/560676283.db2.gz PBOOKXHFLQQARQ-UHFFFAOYSA-N 0 0 401.535 5.202 40 0 HKABRN CC(C)Cn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1Cl ZINC000409098319 558931955 /nfs/dbraw/zinc/93/19/55/558931955.db2.gz KYWAXCQJHLRTRG-UHFFFAOYSA-N 0 0 406.382 6.124 40 0 HKABRN O=C1Nc2ccccc2S/C1=C\c1c(OCc2ccccc2)ccc2ccccc21 ZINC000409098340 560676208 /nfs/dbraw/zinc/67/62/08/560676208.db2.gz PWJFBUXHXGYUNR-XYGWBWBKSA-N 0 0 409.510 6.504 40 0 HKABRN Fc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccccc2)cc1 ZINC000409098414 560676268 /nfs/dbraw/zinc/67/62/68/560676268.db2.gz LIKKRQWERDTVME-UHFFFAOYSA-N 0 0 411.505 6.519 40 0 HKABRN COc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccccc2)cc1 ZINC000409098514 560676260 /nfs/dbraw/zinc/67/62/60/560676260.db2.gz QFYSSVDCWOTUKF-UHFFFAOYSA-N 0 0 403.507 5.114 40 0 HKABRN Cc1ccc(COc2ccc(/C=C3\C(=O)Nc4cc(C(F)(F)F)ccc43)cc2)cc1 ZINC000409098693 560676390 /nfs/dbraw/zinc/67/63/90/560676390.db2.gz JIQPNHMJPIPRLT-MTJSOVHGSA-N 0 0 409.407 6.086 40 0 HKABRN Cc1cccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccc(Cl)cc2)c1 ZINC000409098709 558932498 /nfs/dbraw/zinc/93/24/98/558932498.db2.gz OUPZTOAPEIUPCY-UHFFFAOYSA-N 0 0 409.917 6.328 40 0 HKABRN CCc1ccc(-n2c(SCc3ccc(C)cc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409098787 560676393 /nfs/dbraw/zinc/67/63/93/560676393.db2.gz PLTCLRWIEAIWFS-UHFFFAOYSA-N 0 0 419.981 6.751 40 0 HKABRN CCc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 ZINC000409098856 558932483 /nfs/dbraw/zinc/93/24/83/558932483.db2.gz QVGICYDXMRIOSQ-UHFFFAOYSA-N 0 0 419.981 6.366 40 0 HKABRN Clc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 ZINC000409098970 558932220 /nfs/dbraw/zinc/93/22/20/558932220.db2.gz NARIQEATMUMAKR-UHFFFAOYSA-N 0 0 412.345 6.533 40 0 HKABRN CCCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 ZINC000409099101 560676371 /nfs/dbraw/zinc/67/63/71/560676371.db2.gz QEEDUNFXNGCUJP-UHFFFAOYSA-N 0 0 406.338 5.637 40 0 HKABRN Cc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccncc2)cc1 ZINC000409099142 558932491 /nfs/dbraw/zinc/93/24/91/558932491.db2.gz SGOQBUFDKJKAHA-UHFFFAOYSA-N 0 0 408.530 6.083 40 0 HKABRN COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 ZINC000409099164 558932461 /nfs/dbraw/zinc/93/24/61/558932461.db2.gz QSZKBWJGMVBMJV-UHFFFAOYSA-N 0 0 401.535 5.467 40 0 HKABRN Fc1ccc(-n2c(Cc3ccccc3)nnc2SCCCc2ccccc2)cc1 ZINC000409099189 558932456 /nfs/dbraw/zinc/93/24/56/558932456.db2.gz SKMWMDIOLZMGOA-UHFFFAOYSA-N 0 0 403.526 5.722 40 0 HKABRN CCOc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1 ZINC000409099299 558932475 /nfs/dbraw/zinc/93/24/75/558932475.db2.gz PZQYNGLTBDBPQF-UHFFFAOYSA-N 0 0 401.535 5.668 40 0 HKABRN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 ZINC000409099313 560676381 /nfs/dbraw/zinc/67/63/81/560676381.db2.gz LALFRXCQUFOPDL-UHFFFAOYSA-N 0 0 419.525 5.688 40 0 HKABRN COc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 ZINC000409099405 558932501 /nfs/dbraw/zinc/93/25/01/558932501.db2.gz SBMBENGHQKDNPO-UHFFFAOYSA-N 0 0 407.926 5.889 40 0 HKABRN Cc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccc(Cl)cc2)cc1C ZINC000409099448 558932497 /nfs/dbraw/zinc/93/24/97/558932497.db2.gz NNJNCFAVGYDGHJ-UHFFFAOYSA-N 0 0 423.944 6.636 40 0 HKABRN CCc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccncc2)cc1 ZINC000409099493 558933003 /nfs/dbraw/zinc/93/30/03/558933003.db2.gz NTJRGNXXLSXTHR-UHFFFAOYSA-N 0 0 406.942 5.837 40 0 HKABRN CCc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccncc2)cc1 ZINC000409099504 568417600 /nfs/dbraw/zinc/41/76/00/568417600.db2.gz NVRAISGXTGUEKS-UHFFFAOYSA-N 0 0 406.942 5.837 40 0 HKABRN CCc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 ZINC000409099605 558933027 /nfs/dbraw/zinc/93/30/27/558933027.db2.gz RGINXHZPUNBONN-UHFFFAOYSA-N 0 0 403.526 5.852 40 0 HKABRN Cc1cccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccccc2)c1 ZINC000409099612 558932978 /nfs/dbraw/zinc/93/29/78/558932978.db2.gz RHNOZZRQOPBNCF-UHFFFAOYSA-N 0 0 407.542 6.688 40 0 HKABRN Cc1cccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccccc2)c1 ZINC000409099729 558933018 /nfs/dbraw/zinc/93/30/18/558933018.db2.gz SJJXLEGVSNRTDC-UHFFFAOYSA-N 0 0 419.937 5.871 40 0 HKABRN Cc1ccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccncc2)cc1C ZINC000409099809 558932933 /nfs/dbraw/zinc/93/29/33/558932933.db2.gz UGPSIWAMVQQBHV-UHFFFAOYSA-N 0 0 422.557 6.392 40 0 HKABRN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 ZINC000409099812 568417615 /nfs/dbraw/zinc/41/76/15/568417615.db2.gz UGQREKYGLAHCEA-UHFFFAOYSA-N 0 0 415.562 5.592 40 0 HKABRN CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000409099827 558933011 /nfs/dbraw/zinc/93/30/11/558933011.db2.gz UIVJEXCBGYHFGP-UHFFFAOYSA-N 0 0 421.353 5.176 40 0 HKABRN Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)c(C)c2)cc1 ZINC000409099895 568417602 /nfs/dbraw/zinc/41/76/02/568417602.db2.gz MSIFVHYRXKKQPA-UHFFFAOYSA-N 0 0 419.981 6.805 40 0 HKABRN CCc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409099984 560676894 /nfs/dbraw/zinc/67/68/94/560676894.db2.gz SMEBERMTKWYSAT-UHFFFAOYSA-N 0 0 423.944 6.582 40 0 HKABRN CCc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 ZINC000409099990 560676900 /nfs/dbraw/zinc/67/69/00/560676900.db2.gz SQVOHWYWDZDAFC-UHFFFAOYSA-N 0 0 405.954 6.442 40 0 HKABRN COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 ZINC000409100061 558932974 /nfs/dbraw/zinc/93/29/74/558932974.db2.gz PNLAFCYYWLBVOP-UHFFFAOYSA-N 0 0 421.953 5.812 40 0 HKABRN Fc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000409100261 558933233 /nfs/dbraw/zinc/93/32/33/558933233.db2.gz TZQMRPXDLWYDSL-UHFFFAOYSA-N 0 0 409.917 5.943 40 0 HKABRN Cc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2ccc(Cl)cc2)cc1C ZINC000409100267 560676923 /nfs/dbraw/zinc/67/69/23/560676923.db2.gz VUZQCBNHHRGMBA-UHFFFAOYSA-N 0 0 423.944 6.636 40 0 HKABRN COCCn1c(SCc2ccc3ccccc3c2)nnc1-c1ccc(Cl)cc1 ZINC000409100278 560676936 /nfs/dbraw/zinc/67/69/36/560676936.db2.gz VXEMBITZHYWHKJ-UHFFFAOYSA-N 0 0 409.942 5.690 40 0 HKABRN Cc1c(/C=C2\Sc3ccccc3NC2=O)c2ccccc2n1Cc1ccc(F)cc1 ZINC000409100353 560676927 /nfs/dbraw/zinc/67/69/27/560676927.db2.gz VJHRNLADKQOMQU-OYKKKHCWSA-N 0 0 414.505 6.222 40 0 HKABRN Cc1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)c(C)c2)c1 ZINC000409100482 560677013 /nfs/dbraw/zinc/67/70/13/560677013.db2.gz NXFCDQNUUCCYPN-UHFFFAOYSA-N 0 0 419.981 6.805 40 0 HKABRN COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccc(F)cc1 ZINC000409100519 560677080 /nfs/dbraw/zinc/67/70/80/560677080.db2.gz UCDJDLVMFYBFQF-XKZIYDEJSA-N 0 0 407.466 5.499 40 0 HKABRN CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000409100546 560677064 /nfs/dbraw/zinc/67/70/64/560677064.db2.gz UMGMHFFKSWDBMB-UHFFFAOYSA-N 0 0 421.353 5.176 40 0 HKABRN CCCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1 ZINC000409100608 558933213 /nfs/dbraw/zinc/93/32/13/558933213.db2.gz QQBSSYXLBXQFEU-UHFFFAOYSA-N 0 0 400.935 5.048 40 0 HKABRN CCOc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 ZINC000409100676 560677036 /nfs/dbraw/zinc/67/70/36/560677036.db2.gz RJUVKDSSCQEWGS-UHFFFAOYSA-N 0 0 421.953 6.279 40 0 HKABRN O=C1Nc2ccccc2S/C1=C\c1ccc(Sc2nc3ccccc3s2)o1 ZINC000409100729 558933195 /nfs/dbraw/zinc/93/31/95/558933195.db2.gz WHHXMHZGIBSWTC-BOPFTXTBSA-N 0 0 408.529 6.126 40 0 HKABRN O=C1NC(=Cc2ccccc2OCc2ccc(F)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409100771 558933134 /nfs/dbraw/zinc/93/31/34/558933134.db2.gz VCXAENUDZICRHP-UDWIEESQSA-N 0 0 422.843 5.155 40 0 HKABRN CCOc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409100817 560677058 /nfs/dbraw/zinc/67/70/58/560677058.db2.gz VFOZKXSLEIHTLR-UHFFFAOYSA-N 0 0 421.953 6.279 40 0 HKABRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccccc1OCc1ccc(F)cc1 ZINC000409101021 558933104 /nfs/dbraw/zinc/93/31/04/558933104.db2.gz OLVSYJIPXZAAAF-ODLFYWEKSA-N 0 0 413.370 5.916 40 0 HKABRN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O ZINC000409101088 560677137 /nfs/dbraw/zinc/67/71/37/560677137.db2.gz PNJFAQDXLMPYKM-HTMJNSLASA-N 0 0 403.956 6.326 40 0 HKABRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O ZINC000409101089 558933175 /nfs/dbraw/zinc/93/31/75/558933175.db2.gz PNJFAQDXLMPYKM-RNEAKCBISA-N 0 0 403.956 6.326 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409101196 560677171 /nfs/dbraw/zinc/67/71/71/560677171.db2.gz WGZAPCTVDXYALX-LDADJPATSA-N 0 0 417.914 5.374 40 0 HKABRN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 ZINC000409101311 560677144 /nfs/dbraw/zinc/67/71/44/560677144.db2.gz XTBMYJPJXBNTGN-UHFFFAOYSA-N 0 0 419.525 5.688 40 0 HKABRN Cc1cccc(-n2c(SCCCc3ccccc3)nnc2-c2ccc(Cl)cc2)c1 ZINC000409101348 560677148 /nfs/dbraw/zinc/67/71/48/560677148.db2.gz STCJYNYIKRKTOS-UHFFFAOYSA-N 0 0 419.981 6.621 40 0 HKABRN CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)C1=O ZINC000409101498 558932487 /nfs/dbraw/zinc/93/24/87/558932487.db2.gz XXQXCBXTCAOAPS-LICLKQGHSA-N 0 0 422.333 5.937 40 0 HKABRN CCc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 ZINC000409101734 560677321 /nfs/dbraw/zinc/67/73/21/560677321.db2.gz QVHHSJOGBHJKAL-UHFFFAOYSA-N 0 0 419.981 6.366 40 0 HKABRN COC(=O)c1cc(-c2ccc(/C=C3\Sc4ccccc4NC3=O)o2)ccc1Cl ZINC000409101779 558932695 /nfs/dbraw/zinc/93/26/95/558932695.db2.gz RGBMNCUJACYCMQ-ODLFYWEKSA-N 0 0 411.866 5.472 40 0 HKABRN Cc1cccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccncc2)c1 ZINC000409101806 558932676 /nfs/dbraw/zinc/93/26/76/558932676.db2.gz WPSCSIGMJXPGGA-UHFFFAOYSA-N 0 0 408.530 6.083 40 0 HKABRN O=C1Nc2ccccc2S/C1=C\c1cc(Br)c(N2CCCCC2)o1 ZINC000409101807 560677266 /nfs/dbraw/zinc/67/72/66/560677266.db2.gz WQPUPQZNFGUBDT-WJDWOHSUSA-N 0 0 405.317 5.118 40 0 HKABRN O=C1Nc2ccccc2S/C1=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000409101829 558932618 /nfs/dbraw/zinc/93/26/18/558932618.db2.gz ZBEIXUUYJQYNAM-QRVIBDJDSA-N 0 0 416.933 6.428 40 0 HKABRN CCOc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1 ZINC000409101834 560677264 /nfs/dbraw/zinc/67/72/64/560677264.db2.gz WSZFTZVQQITLHM-UHFFFAOYSA-N 0 0 405.498 5.764 40 0 HKABRN CC(C)Cn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000409101840 560677334 /nfs/dbraw/zinc/67/73/34/560677334.db2.gz ZCHRIYOJABYWSY-UHFFFAOYSA-N 0 0 406.382 6.124 40 0 HKABRN CCc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccncc2)cc1 ZINC000409101888 560677327 /nfs/dbraw/zinc/67/73/27/560677327.db2.gz BVDIAVMVRDHUJH-UHFFFAOYSA-N 0 0 400.551 5.617 40 0 HKABRN Cc1cccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccc(Cl)cc2)c1 ZINC000409101974 560677279 /nfs/dbraw/zinc/67/72/79/560677279.db2.gz CDURPRBLEHCJNL-UHFFFAOYSA-N 0 0 419.937 5.871 40 0 HKABRN CCOc1ccc(Br)cc1/C=C1\C(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000409102124 558932825 /nfs/dbraw/zinc/93/28/25/558932825.db2.gz ZYIYAWLVOUQWOB-ZSOIEALJSA-N 0 0 412.205 5.359 40 0 HKABRN O=C1NC(=Cc2cccc(OCc3ccc(F)cc3)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409102193 560677352 /nfs/dbraw/zinc/67/73/52/560677352.db2.gz VEWBCIOQELNSOL-CIAFOILYSA-N 0 0 422.843 5.155 40 0 HKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1C ZINC000409102410 560677367 /nfs/dbraw/zinc/67/73/67/560677367.db2.gz ZJSDPWFXFXECKM-UHFFFAOYSA-N 0 0 403.526 5.906 40 0 HKABRN Cc1cccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccncc2)c1 ZINC000409102615 558932843 /nfs/dbraw/zinc/93/28/43/558932843.db2.gz DPBQJZHYXGCSNM-UHFFFAOYSA-N 0 0 422.941 5.462 40 0 HKABRN COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccccc1F ZINC000409102720 560677461 /nfs/dbraw/zinc/67/74/61/560677461.db2.gz ZMBOPRRJCUJXMS-XKZIYDEJSA-N 0 0 407.466 5.499 40 0 HKABRN Fc1cccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)c1 ZINC000409102723 558932849 /nfs/dbraw/zinc/93/28/49/558932849.db2.gz ZOAWKNHWNVAEPL-UHFFFAOYSA-N 0 0 409.917 5.943 40 0 HKABRN Clc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccccc2)cc1 ZINC000409102761 558932791 /nfs/dbraw/zinc/93/27/91/558932791.db2.gz UAPFOTTYYCZWLT-UHFFFAOYSA-N 0 0 421.953 5.683 40 0 HKABRN COc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409102776 560677472 /nfs/dbraw/zinc/67/74/72/560677472.db2.gz VZCKSOTUUOJAEF-UHFFFAOYSA-N 0 0 421.953 6.197 40 0 HKABRN CC(C)Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 ZINC000409102815 558932813 /nfs/dbraw/zinc/93/28/13/558932813.db2.gz UHIZIOISRDUQEF-UHFFFAOYSA-N 0 0 420.365 5.883 40 0 HKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccccc2)cc1C ZINC000409102925 560677470 /nfs/dbraw/zinc/67/74/70/560677470.db2.gz FUDRURRLDDGMKL-UHFFFAOYSA-N 0 0 413.546 5.450 40 0 HKABRN Fc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409103092 560677580 /nfs/dbraw/zinc/67/75/80/560677580.db2.gz AKIHVAXGEUKZQA-UHFFFAOYSA-N 0 0 413.880 6.158 40 0 HKABRN CCCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccccc1 ZINC000409103098 558932852 /nfs/dbraw/zinc/93/28/52/558932852.db2.gz ALWOIQDOBKTYGY-UHFFFAOYSA-N 0 0 400.935 5.048 40 0 HKABRN Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(F)cc2)cc1 ZINC000409103457 560675506 /nfs/dbraw/zinc/67/55/06/560675506.db2.gz HCHRPZHGOAKFAJ-UHFFFAOYSA-N 0 0 409.917 6.328 40 0 HKABRN CCCn1c(Cc2ccccc2)nnc1SCc1ccc(Br)cc1 ZINC000409103471 560675562 /nfs/dbraw/zinc/67/55/62/560675562.db2.gz WPCRRMHYBQBDHB-UHFFFAOYSA-N 0 0 402.361 5.334 40 0 HKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1C ZINC000409103565 558932835 /nfs/dbraw/zinc/93/28/35/558932835.db2.gz DIZQVPSULJWHAD-UHFFFAOYSA-N 0 0 403.526 5.906 40 0 HKABRN Cc1cccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccccc2)c1 ZINC000409103762 558932833 /nfs/dbraw/zinc/93/28/33/558932833.db2.gz FQZUSQHZGDJWOW-UHFFFAOYSA-N 0 0 418.497 5.113 40 0 HKABRN CCN1C(=O)S/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O ZINC000409103821 560675511 /nfs/dbraw/zinc/67/55/11/560675511.db2.gz WXYFPROXQMTHAY-RIYZIHGNSA-N 0 0 412.692 5.419 40 0 HKABRN CCc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409103836 558932844 /nfs/dbraw/zinc/93/28/44/558932844.db2.gz WZYBGVMTYKNDMA-UHFFFAOYSA-N 0 0 423.944 6.582 40 0 HKABRN CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)C1=O ZINC000409103969 558933791 /nfs/dbraw/zinc/93/37/91/558933791.db2.gz HYJZZIYWRVHKJZ-WOJGMQOQSA-N 0 0 417.914 5.292 40 0 HKABRN Cc1cccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccccc2)c1 ZINC000409103998 558933874 /nfs/dbraw/zinc/93/38/74/558933874.db2.gz XZDYOESHUXNHKY-UHFFFAOYSA-N 0 0 421.953 6.067 40 0 HKABRN O=C1Nc2ccccc2S/C1=C\c1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000409104083 560675602 /nfs/dbraw/zinc/67/56/02/560675602.db2.gz DIDMEHCCMGMFMO-UUYOSTAYSA-N 0 0 403.459 5.080 40 0 HKABRN CCc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)cc1 ZINC000409104265 558933809 /nfs/dbraw/zinc/93/38/09/558933809.db2.gz CDQPSBCHIZNYCB-UHFFFAOYSA-N 0 0 414.534 5.228 40 0 HKABRN c1ccc(Cc2nnc(SCc3cccc4ccccc43)n2-c2ccccc2)cc1 ZINC000409104269 558933789 /nfs/dbraw/zinc/93/37/89/558933789.db2.gz CEUPKHZUEMLJBU-UHFFFAOYSA-N 0 0 407.542 6.304 40 0 HKABRN Cc1ccc(OCCSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)cc1 ZINC000409104335 558933776 /nfs/dbraw/zinc/93/37/76/558933776.db2.gz CYHNTMUBTADLAD-UHFFFAOYSA-N 0 0 416.550 5.426 40 0 HKABRN Cc1cccc(COc2ccccc2/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c1 ZINC000409104344 558933836 /nfs/dbraw/zinc/93/38/36/558933836.db2.gz DBCDRSQGDPLVSL-NDENLUEZSA-N 0 0 409.407 6.086 40 0 HKABRN Cc1cccc(-n2c(SCCOc3ccccc3)nnc2-c2ccc(Cl)cc2)c1 ZINC000409104667 560675711 /nfs/dbraw/zinc/67/57/11/560675711.db2.gz DKFTURWNIMLEJO-UHFFFAOYSA-N 0 0 421.953 6.067 40 0 HKABRN CCc1ccc(-n2c(SCCOc3ccc(C)cc3)nnc2-c2ccncc2)cc1 ZINC000409104700 558933991 /nfs/dbraw/zinc/93/39/91/558933991.db2.gz FCPACJCAYHIWDH-UHFFFAOYSA-N 0 0 416.550 5.371 40 0 HKABRN Cc1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(F)cc2)c1 ZINC000409104729 560675737 /nfs/dbraw/zinc/67/57/37/560675737.db2.gz HSBKCDFBAOWGGA-UHFFFAOYSA-N 0 0 409.917 6.328 40 0 HKABRN Cc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccncc2)cc1C ZINC000409104778 560675713 /nfs/dbraw/zinc/67/57/13/560675713.db2.gz ICONSYWRMACAMQ-UHFFFAOYSA-N 0 0 400.551 5.671 40 0 HKABRN Cc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409104866 558934039 /nfs/dbraw/zinc/93/40/39/558934039.db2.gz KJBIJIJOKWBWJM-UHFFFAOYSA-N 0 0 419.981 6.621 40 0 HKABRN CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000409104941 558933978 /nfs/dbraw/zinc/93/39/78/558933978.db2.gz LKDNMPLPZVZVNJ-UHFFFAOYSA-N 0 0 421.353 5.176 40 0 HKABRN Cc1cccc(-n2c(SCc3ccccc3F)nnc2-c2ccc(Cl)cc2)c1 ZINC000409104992 558933973 /nfs/dbraw/zinc/93/39/73/558933973.db2.gz HJKAVYXOISNTES-UHFFFAOYSA-N 0 0 409.917 6.328 40 0 HKABRN CCOc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccncc2)cc1 ZINC000409104999 560678341 /nfs/dbraw/zinc/67/83/41/560678341.db2.gz LVHMGJKXGRTYOQ-UHFFFAOYSA-N 0 0 416.550 5.453 40 0 HKABRN COCCn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000409105115 560678397 /nfs/dbraw/zinc/67/83/97/560678397.db2.gz GKAWTMMRLIVFAT-UHFFFAOYSA-N 0 0 408.354 5.114 40 0 HKABRN Clc1ccc(-c2nnc(SCc3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000409105120 558934222 /nfs/dbraw/zinc/93/42/22/558934222.db2.gz GMMUFCRYZAHOHQ-UHFFFAOYSA-N 0 0 412.345 6.533 40 0 HKABRN Cc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccncc2)cc1C ZINC000409105236 560678432 /nfs/dbraw/zinc/67/84/32/560678432.db2.gz KBLHWMFXTQMBIF-UHFFFAOYSA-N 0 0 406.942 5.892 40 0 HKABRN Cc1ccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccccc2)cc1 ZINC000409105285 558934167 /nfs/dbraw/zinc/93/41/67/558934167.db2.gz MESVTEDRGKXCBF-UHFFFAOYSA-N 0 0 421.953 6.067 40 0 HKABRN COc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccncc2)cc1 ZINC000409105309 558934221 /nfs/dbraw/zinc/93/42/21/558934221.db2.gz MPFOSGUNCQEKMW-UHFFFAOYSA-N 0 0 424.529 5.783 40 0 HKABRN CCN1C(=O)S/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc32)C1=O ZINC000409105369 568505267 /nfs/dbraw/zinc/50/52/67/568505267.db2.gz NBWZFQMYKIIODO-HYARGMPZSA-N 0 0 403.503 5.783 40 0 HKABRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000409105384 558934171 /nfs/dbraw/zinc/93/41/71/558934171.db2.gz IXHIDXMICKHHJR-YBEGLDIGSA-N 0 0 423.312 6.477 40 0 HKABRN O=C1NC(=Cc2ccccc2OCc2ccccc2F)C(=O)N1c1cccc(Cl)c1 ZINC000409105624 558934143 /nfs/dbraw/zinc/93/41/43/558934143.db2.gz NPDIBBUKZBCLNI-UDWIEESQSA-N 0 0 422.843 5.155 40 0 HKABRN CCOc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)ccc1OCC(C)C ZINC000409105728 558933419 /nfs/dbraw/zinc/93/34/19/558933419.db2.gz OBXVNKAYNNDOCV-MFOYZWKCSA-N 0 0 405.416 5.632 40 0 HKABRN CCc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 ZINC000409105833 558933479 /nfs/dbraw/zinc/93/34/79/558933479.db2.gz LAVHWOTVEHDHIF-UHFFFAOYSA-N 0 0 405.954 6.442 40 0 HKABRN O=C1Nc2ccccc2S/C1=C\c1ccccc1OCc1cccc2ccccc21 ZINC000409105841 558933630 /nfs/dbraw/zinc/93/36/30/558933630.db2.gz LFMOMHRLMXWVLG-XYGWBWBKSA-N 0 0 409.510 6.504 40 0 HKABRN CCCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1 ZINC000409105927 558933496 /nfs/dbraw/zinc/93/34/96/558933496.db2.gz PJUCESDBHFVFSV-UHFFFAOYSA-N 0 0 421.353 5.393 40 0 HKABRN COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409106236 558934861 /nfs/dbraw/zinc/93/48/61/558934861.db2.gz NCPXZRILIMFQKW-XKZIYDEJSA-N 0 0 423.921 6.013 40 0 HKABRN Cc1cccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccccc2)c1 ZINC000409106359 558934894 /nfs/dbraw/zinc/93/48/94/558934894.db2.gz RNHMQRSMDXSTSP-UHFFFAOYSA-N 0 0 407.542 6.688 40 0 HKABRN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)cc1 ZINC000409106367 558934865 /nfs/dbraw/zinc/93/48/65/558934865.db2.gz RPFMTYXOVIDEOO-UHFFFAOYSA-N 0 0 415.562 5.858 40 0 HKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1C ZINC000409106676 560678626 /nfs/dbraw/zinc/67/86/26/560678626.db2.gz SJGIWISHMVAWLJ-UHFFFAOYSA-N 0 0 419.981 6.421 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccccc2)n1CC(C)C ZINC000409106677 560678595 /nfs/dbraw/zinc/67/85/95/560678595.db2.gz SJIFCGTWFITYBZ-UHFFFAOYSA-N 0 0 414.962 5.294 40 0 HKABRN Cc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409106745 560678605 /nfs/dbraw/zinc/67/86/05/560678605.db2.gz UCGKNTXEVAEQRG-UHFFFAOYSA-N 0 0 421.953 6.067 40 0 HKABRN CCCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1 ZINC000409106790 560678627 /nfs/dbraw/zinc/67/86/27/560678627.db2.gz UJLGCKRROSNETE-UHFFFAOYSA-N 0 0 400.935 5.048 40 0 HKABRN Fc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409106845 560678619 /nfs/dbraw/zinc/67/86/19/560678619.db2.gz OTVQJESJDLXLIL-UHFFFAOYSA-N 0 0 423.944 6.452 40 0 HKABRN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccccc2)c1 ZINC000409106863 560678621 /nfs/dbraw/zinc/67/86/21/560678621.db2.gz OWTFLCCFNRTECT-UHFFFAOYSA-N 0 0 401.535 5.338 40 0 HKABRN CCOc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccc(F)cc1 ZINC000409106979 558935128 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O=C1Nc2ccccc2S/C1=C\c1cccc(OCc2cccc3ccccc32)c1 ZINC000409107455 560678668 /nfs/dbraw/zinc/67/86/68/560678668.db2.gz PZCMMSDLYXSXPL-XYGWBWBKSA-N 0 0 409.510 6.504 40 0 HKABRN Clc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 ZINC000409107537 560678688 /nfs/dbraw/zinc/67/86/88/560678688.db2.gz RWIZHVGSLMPBME-UHFFFAOYSA-N 0 0 412.345 6.533 40 0 HKABRN CCc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccccc2)cc1 ZINC000409107681 560678786 /nfs/dbraw/zinc/67/87/86/560678786.db2.gz TUSBNCVGJNEHRV-UHFFFAOYSA-N 0 0 415.562 5.592 40 0 HKABRN COc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 ZINC000409107684 560678808 /nfs/dbraw/zinc/67/88/08/560678808.db2.gz TVWHUCAOJNYKNL-UHFFFAOYSA-N 0 0 407.926 5.889 40 0 HKABRN Fc1ccccc1CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000409107692 560678766 /nfs/dbraw/zinc/67/87/66/560678766.db2.gz TYQOHIXFZNKYGE-UHFFFAOYSA-N 0 0 409.917 5.943 40 0 HKABRN O=C1Nc2ccccc2S/C1=C\c1cn(Cc2ccccc2F)c2ccccc12 ZINC000409107931 560678768 /nfs/dbraw/zinc/67/87/68/560678768.db2.gz YGPCWDHFGFMSEX-QRVIBDJDSA-N 0 0 400.478 5.914 40 0 HKABRN CCOc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 ZINC000409108045 560678806 /nfs/dbraw/zinc/67/88/06/560678806.db2.gz URLGTQSPOGQHNJ-UHFFFAOYSA-N 0 0 421.953 6.279 40 0 HKABRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccccc1OCc1ccccc1F ZINC000409108068 560678792 /nfs/dbraw/zinc/67/87/92/560678792.db2.gz UVOYZVVQTKTKLU-WQRHYEAKSA-N 0 0 413.370 5.916 40 0 HKABRN CC(C)(C)c1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(C(C)(C)C)c1O ZINC000409108138 558934589 /nfs/dbraw/zinc/93/45/89/558934589.db2.gz VQOBILJUFZHNOK-SXGWCWSVSA-N 0 0 417.471 6.499 40 0 HKABRN COc1ccc(-n2c(Cc3ccccc3)nnc2SCCCc2ccccc2)cc1 ZINC000409108181 558934567 /nfs/dbraw/zinc/93/45/67/558934567.db2.gz VLDOBHSUOHBTRK-UHFFFAOYSA-N 0 0 415.562 5.592 40 0 HKABRN Cc1ccc(OCCSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000409108199 560678750 /nfs/dbraw/zinc/67/87/50/560678750.db2.gz VNMFMWBZAKTBRJ-UHFFFAOYSA-N 0 0 421.953 6.067 40 0 HKABRN CC(C)Cn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000409108273 560678759 /nfs/dbraw/zinc/67/87/59/560678759.db2.gz ZEFFRQIXQINJOU-HOTGVXAUSA-N 0 0 421.010 5.136 40 0 HKABRN CC(C)Cn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000409108274 560678763 /nfs/dbraw/zinc/67/87/63/560678763.db2.gz ZEFFRQIXQINJOU-HZPDHXFCSA-N 0 0 421.010 5.136 40 0 HKABRN CC(C)Cn1c(SCC(=O)N2[C@H](C)CCC[C@@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000409108275 560678761 /nfs/dbraw/zinc/67/87/61/560678761.db2.gz ZEFFRQIXQINJOU-IYBDPMFKSA-N 0 0 421.010 5.136 40 0 HKABRN CCOc1ccc(-n2c(Sc3ccccn3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409108280 560678810 /nfs/dbraw/zinc/67/88/10/560678810.db2.gz ZHPVGUWTWSMKBW-UHFFFAOYSA-N 0 0 408.914 5.533 40 0 HKABRN Fc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409108294 558934870 /nfs/dbraw/zinc/93/48/70/558934870.db2.gz ZNWGFKUSSATXSK-UHFFFAOYSA-N 0 0 413.880 6.158 40 0 HKABRN COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 ZINC000409108297 560678788 /nfs/dbraw/zinc/67/87/88/560678788.db2.gz ZQOLMJFNPZIZGV-UHFFFAOYSA-N 0 0 421.953 5.812 40 0 HKABRN Cc1ccc(OCCSc2nnc(-c3ccncc3)n2-c2cccc(C)c2)cc1 ZINC000409108318 560678887 /nfs/dbraw/zinc/67/88/87/560678887.db2.gz ZZCPAYSWSPYESZ-UHFFFAOYSA-N 0 0 402.523 5.117 40 0 HKABRN COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 ZINC000409108388 558934915 /nfs/dbraw/zinc/93/49/15/558934915.db2.gz XGHIJLJODVWLIL-UHFFFAOYSA-N 0 0 405.498 5.298 40 0 HKABRN CCc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccccc2)cc1 ZINC000409108531 560678908 /nfs/dbraw/zinc/67/89/08/560678908.db2.gz UZMTUZRLNVZETK-UHFFFAOYSA-N 0 0 413.546 5.396 40 0 HKABRN CCc1ccc(C2=NN(C(=O)c3ccc(C(C)(C)C)cc3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000409108586 558936452 /nfs/dbraw/zinc/93/64/52/558936452.db2.gz VJNIHHILTFWWAR-JOCHJYFZSA-N 0 0 418.459 5.048 40 0 HKABRN CCc1ccc(C2=NN(C(=O)c3ccc(C(C)(C)C)cc3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000409108587 558936403 /nfs/dbraw/zinc/93/64/03/558936403.db2.gz VJNIHHILTFWWAR-QFIPXVFZSA-N 0 0 418.459 5.048 40 0 HKABRN COCCn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1Cl ZINC000409108693 558936576 /nfs/dbraw/zinc/93/65/76/558936576.db2.gz YQNLMBLXLDORDV-UHFFFAOYSA-N 0 0 408.354 5.114 40 0 HKABRN Cc1ccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccncc2)cc1 ZINC000409108704 558936502 /nfs/dbraw/zinc/93/65/02/558936502.db2.gz YTPYFRKXYIJYHL-UHFFFAOYSA-N 0 0 422.941 5.462 40 0 HKABRN Cc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccncc2)cc1C ZINC000409108741 558936588 /nfs/dbraw/zinc/93/65/88/558936588.db2.gz XSWPOZHEPDRLHI-UHFFFAOYSA-N 0 0 422.557 6.392 40 0 HKABRN Cc1c(/C=C2\Sc3ccccc3NC2=O)c2ccccc2n1Cc1ccccc1F ZINC000409108800 560678903 /nfs/dbraw/zinc/67/89/03/560678903.db2.gz WBAGBFNPKFUDSS-OYKKKHCWSA-N 0 0 414.505 6.222 40 0 HKABRN CCc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccncc2)cc1 ZINC000409109007 558936544 /nfs/dbraw/zinc/93/65/44/558936544.db2.gz ZKZOMRGEHUBSFU-UHFFFAOYSA-N 0 0 422.557 6.337 40 0 HKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1C ZINC000409109008 558936584 /nfs/dbraw/zinc/93/65/84/558936584.db2.gz ZMAWEODRMDHARI-UHFFFAOYSA-N 0 0 419.981 6.421 40 0 HKABRN CCc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409109021 560677559 /nfs/dbraw/zinc/67/75/59/560677559.db2.gz ZOVRSYQLPYWQHH-UHFFFAOYSA-N 0 0 419.981 6.751 40 0 HKABRN Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1-c1ccc(C)c(C)c1 ZINC000409109070 560677582 /nfs/dbraw/zinc/67/75/82/560677582.db2.gz XJGWOSXJIQGCMU-UHFFFAOYSA-N 0 0 421.353 5.230 40 0 HKABRN CCc1ccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccccc2)cc1 ZINC000409109104 558935255 /nfs/dbraw/zinc/93/52/55/558935255.db2.gz XUYDDWWYCNDBGW-UHFFFAOYSA-N 0 0 421.569 6.942 40 0 HKABRN CCc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 ZINC000409109116 558935314 /nfs/dbraw/zinc/93/53/14/558935314.db2.gz XZIWDMYLDOSCOV-UHFFFAOYSA-N 0 0 403.526 5.852 40 0 HKABRN CCCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 ZINC000409109163 560677632 /nfs/dbraw/zinc/67/76/32/560677632.db2.gz YUEZAUJYZXGAEL-UHFFFAOYSA-N 0 0 422.779 6.063 40 0 HKABRN Cc1ccc(C)c(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)c1 ZINC000409109296 558935276 /nfs/dbraw/zinc/93/52/76/558935276.db2.gz BDJZOYGKLGKNHH-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN Cc1ccc(NCc2c(OCc3cccc(F)c3)ccc3ccccc32)cc1Cl ZINC000409109302 558935363 /nfs/dbraw/zinc/93/53/63/558935363.db2.gz BGAXLFJOERCIAC-UHFFFAOYSA-N 0 0 405.900 7.132 40 0 HKABRN CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)c2ccccc21 ZINC000409109313 558935356 /nfs/dbraw/zinc/93/53/56/558935356.db2.gz BNHDAXJOCZENLV-HAHDFKILSA-N 0 0 401.481 5.948 40 0 HKABRN CCOc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409109338 558935445 /nfs/dbraw/zinc/93/54/45/558935445.db2.gz BWNZFJJXNFLCLP-UHFFFAOYSA-N 0 0 409.957 6.855 40 0 HKABRN CCCCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(C)c(C)c1 ZINC000409109367 560677662 /nfs/dbraw/zinc/67/76/62/560677662.db2.gz CHAINZRUNSEAEC-UHFFFAOYSA-N 0 0 400.613 6.217 40 0 HKABRN CCc1ccccc1NCc1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000409109374 558935451 /nfs/dbraw/zinc/93/54/51/558935451.db2.gz CKBFKYNMIYLZKT-UHFFFAOYSA-N 0 0 414.318 6.342 40 0 HKABRN Cc1c(Cl)cccc1NCc1ccc(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409109377 560677653 /nfs/dbraw/zinc/67/76/53/560677653.db2.gz CMTVDJRFMMYXFO-UHFFFAOYSA-N 0 0 422.355 7.646 40 0 HKABRN CCOc1ccc(NCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000409109405 558935497 /nfs/dbraw/zinc/93/54/97/558935497.db2.gz DEFGFGFQSHNRFQ-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN Cc1ccc(COc2ccc(CNc3cc(C)ccc3C)cc2Br)cc1 ZINC000409109407 560677645 /nfs/dbraw/zinc/67/76/45/560677645.db2.gz DEJPOILQQRHLPA-UHFFFAOYSA-N 0 0 410.355 6.565 40 0 HKABRN Cc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c(C)c1 ZINC000409109414 560677639 /nfs/dbraw/zinc/67/76/39/560677639.db2.gz DIVVFJPNIXKDNJ-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN CCOc1ccc(NCc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 ZINC000409109444 560677658 /nfs/dbraw/zinc/67/76/58/560677658.db2.gz DZAGSVMSFVLSCL-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN Cc1cccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)c1C ZINC000409109470 558935479 /nfs/dbraw/zinc/93/54/79/558935479.db2.gz FOQMXOFQVZZHRX-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2C)ccc1OCc1cccc(Cl)c1 ZINC000409109488 560677622 /nfs/dbraw/zinc/67/76/22/560677622.db2.gz FXNDIFUDDNTXOS-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN COc1cc(CNc2ccccc2)cc(Br)c1OCc1cccc(F)c1 ZINC000409109490 560677624 /nfs/dbraw/zinc/67/76/24/560677624.db2.gz FYOBFKCUXABZKS-UHFFFAOYSA-N 0 0 416.290 5.788 40 0 HKABRN CCOc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000409109560 558935492 /nfs/dbraw/zinc/93/54/92/558935492.db2.gz HFLNREHYHMSWFL-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1F ZINC000409109561 558935442 /nfs/dbraw/zinc/93/54/42/558935442.db2.gz HFQJOOZHGRUZBD-UHFFFAOYSA-N 0 0 413.920 6.686 40 0 HKABRN Cc1ccc(C)c(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 ZINC000409109563 558935511 /nfs/dbraw/zinc/93/55/11/558935511.db2.gz HFWASTPDNZSRGO-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN Cc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1C ZINC000409109617 560677664 /nfs/dbraw/zinc/67/76/64/560677664.db2.gz IERGPECVEVLNPY-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)c2ccccc21 ZINC000409109622 558935720 /nfs/dbraw/zinc/93/57/20/558935720.db2.gz IHJCKMGFFVZTBB-ZHZULCJRSA-N 0 0 421.899 6.355 40 0 HKABRN COc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409109623 560677671 /nfs/dbraw/zinc/67/76/71/560677671.db2.gz IHKJMJBUWGALPI-UHFFFAOYSA-N 0 0 420.311 6.641 40 0 HKABRN Cc1ccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1Cl ZINC000409109640 558935642 /nfs/dbraw/zinc/93/56/42/558935642.db2.gz IPOBDBZZLPYNRX-UHFFFAOYSA-N 0 0 424.730 7.285 40 0 HKABRN Cc1c(Cl)cccc1NCc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409109644 560677674 /nfs/dbraw/zinc/67/76/74/560677674.db2.gz IRCPKAVVYMCFBB-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1cccc2ccccc21 ZINC000409109665 560677654 /nfs/dbraw/zinc/67/76/54/560677654.db2.gz IXTWXILLKJZPGA-JLPGSUDCSA-N 0 0 421.496 6.310 40 0 HKABRN COc1ccc(NCc2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 ZINC000409109682 558935638 /nfs/dbraw/zinc/93/56/38/558935638.db2.gz JHJWWSDRSDAWQR-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN Cc1ccc(COc2c(Cl)cc(CNc3ccc(C)cc3C)cc2Cl)cc1 ZINC000409109715 560677628 /nfs/dbraw/zinc/67/76/28/560677628.db2.gz JSJWXJPGFQCISC-UHFFFAOYSA-N 0 0 400.349 7.110 40 0 HKABRN CC(C)CN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)c2ccccc21 ZINC000409109727 560677789 /nfs/dbraw/zinc/67/77/89/560677789.db2.gz JZMWHPAJABYXEK-MOSHPQCFSA-N 0 0 422.322 6.252 40 0 HKABRN CCOc1cc(CNc2ccccc2)ccc1OCc1ccc(Br)cc1 ZINC000409109749 560677750 /nfs/dbraw/zinc/67/77/50/560677750.db2.gz KPZGUGHNDLWXRU-UHFFFAOYSA-N 0 0 412.327 6.039 40 0 HKABRN FC(F)(F)c1cc(-c2ccccc2)nc(SCc2ccc(Cl)cc2Cl)n1 ZINC000409109753 558935723 /nfs/dbraw/zinc/93/57/23/558935723.db2.gz KRGYDUVAMYQHOS-UHFFFAOYSA-N 0 0 415.267 6.762 40 0 HKABRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c2ccccc21 ZINC000409109759 560677779 /nfs/dbraw/zinc/67/77/79/560677779.db2.gz KTGHUUZQEBEHTR-STZFKDTASA-N 0 0 421.899 6.355 40 0 HKABRN CCc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000409109765 558935654 /nfs/dbraw/zinc/93/56/54/558935654.db2.gz KWNJOZSWXYYBGZ-UHFFFAOYSA-N 0 0 416.348 6.756 40 0 HKABRN CCCc1sc2nc(SCc3ccc(F)cc3)n(-c3ccccc3)c(=O)c2c1C ZINC000409109811 560677752 /nfs/dbraw/zinc/67/77/52/560677752.db2.gz LWYZYGRVFHWRIJ-UHFFFAOYSA-N 0 0 424.566 6.140 40 0 HKABRN CC(C)CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccccc21 ZINC000409109842 560677741 /nfs/dbraw/zinc/67/77/41/560677741.db2.gz MMWMRBBWSLLXAR-UNOMPAQXSA-N 0 0 412.316 6.797 40 0 HKABRN COc1ccc(NCc2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 ZINC000409109844 558935646 /nfs/dbraw/zinc/93/56/46/558935646.db2.gz MPBXMSAPUFEXLY-UHFFFAOYSA-N 0 0 412.327 5.957 40 0 HKABRN Cc1ccc(S(=O)(=O)Oc2ccccc2CNc2cc(Cl)ccc2C)cc1 ZINC000409109847 560677787 /nfs/dbraw/zinc/67/77/87/560677787.db2.gz MRAOHBMBMJEIQW-UHFFFAOYSA-N 0 0 401.915 5.337 40 0 HKABRN COc1cc(OC)c(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc1Br ZINC000409109883 558935905 /nfs/dbraw/zinc/93/59/05/558935905.db2.gz NFIUUHWTAJSGBT-SXGWCWSVSA-N 0 0 416.315 5.010 40 0 HKABRN CCOc1cc(CNc2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409109896 558935785 /nfs/dbraw/zinc/93/57/85/558935785.db2.gz NNHVNDMEVHXLEL-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN COc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1 ZINC000409109898 560677781 /nfs/dbraw/zinc/67/77/81/560677781.db2.gz NPXSTLUPEYPZNI-UHFFFAOYSA-N 0 0 411.501 6.679 40 0 HKABRN Cc1ccc(COc2c(Cl)cc(CNc3cc(Cl)ccc3C)cc2Cl)cc1 ZINC000409109931 560677777 /nfs/dbraw/zinc/67/77/77/560677777.db2.gz OCFVZXFCDCCVQU-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN Cc1cccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)c1C ZINC000409109949 558935756 /nfs/dbraw/zinc/93/57/56/558935756.db2.gz OLIPFCAHTOVUNT-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN Cc1ccc(Cl)cc1NCc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000409110043 558935870 /nfs/dbraw/zinc/93/58/70/558935870.db2.gz QDERMYULTGWKRC-UHFFFAOYSA-N 0 0 424.730 7.285 40 0 HKABRN COc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409110056 558935837 /nfs/dbraw/zinc/93/58/37/558935837.db2.gz QKFCOSXCUOZBRB-UHFFFAOYSA-N 0 0 416.348 6.810 40 0 HKABRN Cc1cccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c1 ZINC000409110064 558935795 /nfs/dbraw/zinc/93/57/95/558935795.db2.gz QOWGDEOIBPXMLZ-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CCOc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409110135 558935850 /nfs/dbraw/zinc/93/58/50/558935850.db2.gz SCPJIZCPTLDKDU-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1F ZINC000409110159 560677737 /nfs/dbraw/zinc/67/77/37/560677737.db2.gz SSVKVPNEDGGPBV-UHFFFAOYSA-N 0 0 413.920 6.631 40 0 HKABRN Cc1cccc(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)c1 ZINC000409110181 558935779 /nfs/dbraw/zinc/93/57/79/558935779.db2.gz TXPYGUSQJHIJSE-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000409110188 558935832 /nfs/dbraw/zinc/93/58/32/558935832.db2.gz TZESVNGZSKZUOU-MOSHPQCFSA-N 0 0 424.327 6.480 40 0 HKABRN CCCOc1c(Cl)cc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000409110211 558935823 /nfs/dbraw/zinc/93/58/23/558935823.db2.gz UIVGEISPMDJASG-UHFFFAOYSA-N 0 0 402.321 7.187 40 0 HKABRN Cc1ccccc1NCc1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000409110232 558935820 /nfs/dbraw/zinc/93/58/20/558935820.db2.gz ABALVZUMNUURTD-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409110239 558935777 /nfs/dbraw/zinc/93/57/77/558935777.db2.gz ADBIMIZDPCXYTL-UHFFFAOYSA-N 0 0 413.920 6.686 40 0 HKABRN O=C(NCc1ccccc1)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000409110246 560677785 /nfs/dbraw/zinc/67/77/85/560677785.db2.gz AFFRCCMCOZBQSV-UHFFFAOYSA-N 0 0 424.953 5.463 40 0 HKABRN CCOc1ccc(NCc2c(OCc3cccc(F)c3)ccc3ccccc32)cc1 ZINC000409110255 558936096 /nfs/dbraw/zinc/93/60/96/558936096.db2.gz AHNFUAVFRAOAEV-UHFFFAOYSA-N 0 0 401.481 6.569 40 0 HKABRN CCOc1cc(/C=C2/c3ccccc3N(CC)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409110256 558936062 /nfs/dbraw/zinc/93/60/62/558936062.db2.gz AHWRCAASKBJEQA-KQWNVCNZSA-N 0 0 413.517 5.880 40 0 HKABRN CCc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000409110257 558936017 /nfs/dbraw/zinc/93/60/17/558936017.db2.gz AJIHDYNHRAUUPE-UHFFFAOYSA-N 0 0 420.767 7.400 40 0 HKABRN Clc1ccc(OCc2ccc(Br)cc2)c(CNc2ccccc2)c1 ZINC000409110276 558936102 /nfs/dbraw/zinc/93/61/02/558936102.db2.gz ASMKRQOIBLVXOZ-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN CCc1ccc(NCc2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 ZINC000409110317 558936066 /nfs/dbraw/zinc/93/60/66/558936066.db2.gz BOIFJLOWXIZWPM-UHFFFAOYSA-N 0 0 400.349 7.055 40 0 HKABRN CCc1ccccc1NCc1ccc(OCc2ccccc2F)c(Br)c1 ZINC000409110344 560677731 /nfs/dbraw/zinc/67/77/31/560677731.db2.gz UUYBZDNIOVABGZ-UHFFFAOYSA-N 0 0 414.318 6.342 40 0 HKABRN COc1cc(CNc2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409110345 558936007 /nfs/dbraw/zinc/93/60/07/558936007.db2.gz UVFLXXIBYJNWNA-UHFFFAOYSA-N 0 0 417.914 5.037 40 0 HKABRN COc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000409110359 558936078 /nfs/dbraw/zinc/93/60/78/558936078.db2.gz VDWVFUKGISPWHF-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1cccc(F)c1 ZINC000409110376 558936014 /nfs/dbraw/zinc/93/60/14/558936014.db2.gz VMPSHMYZPDWNHM-UHFFFAOYSA-N 0 0 413.920 6.686 40 0 HKABRN Clc1cccc(COc2ccc(CNc3ccccc3)cc2Br)c1 ZINC000409110388 560677746 /nfs/dbraw/zinc/67/77/46/560677746.db2.gz VPGNIRYTWYZWIS-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN COc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)ccc1OCc1ccccc1 ZINC000409110405 558935998 /nfs/dbraw/zinc/93/59/98/558935998.db2.gz VUWLYDMOFSPEFL-HAHDFKILSA-N 0 0 413.517 5.817 40 0 HKABRN CCc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 ZINC000409110421 560677851 /nfs/dbraw/zinc/67/78/51/560677851.db2.gz BWANGQGHRMBLRO-UHFFFAOYSA-N 0 0 414.318 6.342 40 0 HKABRN Cc1ccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc32)cc1Cl ZINC000409110432 558936086 /nfs/dbraw/zinc/93/60/86/558936086.db2.gz BYMZEWPESDPKHP-UHFFFAOYSA-N 0 0 422.355 7.646 40 0 HKABRN CCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)c2ccccc21 ZINC000409110460 558936024 /nfs/dbraw/zinc/93/60/24/558936024.db2.gz WGJLHGWQDGCEOZ-STZFKDTASA-N 0 0 403.453 5.320 40 0 HKABRN CCc1sc2nc(SCc3ccccc3)n(-c3ccc(C)cc3)c(=O)c2c1C ZINC000409110500 558936010 /nfs/dbraw/zinc/93/60/10/558936010.db2.gz CUANHQXFECCTRN-UHFFFAOYSA-N 0 0 406.576 5.919 40 0 HKABRN Cc1c(Cl)cccc1NCc1cc(Br)ccc1OCc1ccccc1 ZINC000409110545 560677834 /nfs/dbraw/zinc/67/78/34/560677834.db2.gz DXNZQKAYIOIOMG-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN CCc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)cc1 ZINC000409110593 560677835 /nfs/dbraw/zinc/67/78/35/560677835.db2.gz FGIPGOFRVKNCLC-UHFFFAOYSA-N 0 0 404.312 6.886 40 0 HKABRN CCc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2F)cc1 ZINC000409110602 560677842 /nfs/dbraw/zinc/67/78/42/560677842.db2.gz FHGSGHAVVSNSNR-UHFFFAOYSA-N 0 0 404.312 6.886 40 0 HKABRN Cc1ccc(C)c(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c1 ZINC000409110616 558936178 /nfs/dbraw/zinc/93/61/78/558936178.db2.gz FKMAXWHAXKWDAB-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN COc1cc(CNc2cccc(C)c2)ccc1OCc1ccc(Br)cc1 ZINC000409110619 558936219 /nfs/dbraw/zinc/93/62/19/558936219.db2.gz XCTLTLYKCZTKOC-UHFFFAOYSA-N 0 0 412.327 5.957 40 0 HKABRN COc1ccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000409110622 560677856 /nfs/dbraw/zinc/67/78/56/560677856.db2.gz XDQHPDKEELSIIW-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN CCOc1cc(CNc2ccccc2CC)ccc1OCc1cccc2ccccc21 ZINC000409110679 558936242 /nfs/dbraw/zinc/93/62/42/558936242.db2.gz FVYOSXBCFSNUCI-UHFFFAOYSA-N 0 0 411.545 6.992 40 0 HKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)cc1Cl ZINC000409110682 558936160 /nfs/dbraw/zinc/93/61/60/558936160.db2.gz XTBKQCNVFVMPKB-UHFFFAOYSA-N 0 0 424.730 7.285 40 0 HKABRN CCOc1ccc(NCc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000409110691 558936152 /nfs/dbraw/zinc/93/61/52/558936152.db2.gz FYFUHCLQCPABLR-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN Cc1ccc(C)c(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c1 ZINC000409110696 558936199 /nfs/dbraw/zinc/93/61/99/558936199.db2.gz XUBPRFBIQCOTQN-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN Cc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409110697 558936174 /nfs/dbraw/zinc/93/61/74/558936174.db2.gz FYPFYNKCUAKPRF-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CCOc1cc(CNc2ccccc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409110714 560677855 /nfs/dbraw/zinc/67/78/55/560677855.db2.gz GCPKNZOOKDSEJB-UHFFFAOYSA-N 0 0 417.936 7.083 40 0 HKABRN CCOc1cc(CNc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000409110719 560677860 /nfs/dbraw/zinc/67/78/60/560677860.db2.gz YDCYPNZSKONZCX-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN Clc1cccc(COc2ccccc2CNc2ccc(Oc3ccccc3)cc2)c1 ZINC000409110745 558936185 /nfs/dbraw/zinc/93/61/85/558936185.db2.gz GHJYAUYOWBHHGW-UHFFFAOYSA-N 0 0 415.920 7.323 40 0 HKABRN Cc1c(Cl)cccc1NCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000409110768 560677852 /nfs/dbraw/zinc/67/78/52/560677852.db2.gz YIWWCZJLSDYYAC-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1ccc(NCc2c(OCc3cccc(Cl)c3)ccc3ccccc32)c(C)c1 ZINC000409110784 558936359 /nfs/dbraw/zinc/93/63/59/558936359.db2.gz YPBLTHMMTYHLFZ-UHFFFAOYSA-N 0 0 401.937 7.301 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 ZINC000409110786 558936351 /nfs/dbraw/zinc/93/63/51/558936351.db2.gz YPPSOPVKWYMVBY-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Cc1ccccc1NCc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000409110788 558936455 /nfs/dbraw/zinc/93/64/55/558936455.db2.gz GTGNXZVRTPYUKQ-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CCc1ccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc32)cc1 ZINC000409110789 558936361 /nfs/dbraw/zinc/93/63/61/558936361.db2.gz YQPYRSYXAWGFKN-UHFFFAOYSA-N 0 0 401.937 7.247 40 0 HKABRN CCCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)c2ccccc21 ZINC000409110794 560677928 /nfs/dbraw/zinc/67/79/28/560677928.db2.gz YTQBXXJWPLMHBC-JCMHNJIXSA-N 0 0 417.480 5.711 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccccc1)c1ccccc1 ZINC000409110795 560677833 /nfs/dbraw/zinc/67/78/33/560677833.db2.gz GTUOMEMPDYFBMF-MSOLQXFVSA-N 0 0 404.535 5.297 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccccc1)c1ccccc1 ZINC000409110797 558936377 /nfs/dbraw/zinc/93/63/77/558936377.db2.gz GTUOMEMPDYFBMF-QZTJIDSGSA-N 0 0 404.535 5.297 40 0 HKABRN C[C@H](NC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccccc1)c1ccccc1 ZINC000409110798 558936400 /nfs/dbraw/zinc/93/64/00/558936400.db2.gz GTUOMEMPDYFBMF-ROUUACIJSA-N 0 0 404.535 5.297 40 0 HKABRN C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000409110800 558936436 /nfs/dbraw/zinc/93/64/36/558936436.db2.gz GTUOMEMPDYFBMF-ZWKOTPCHSA-N 0 0 404.535 5.297 40 0 HKABRN CCOc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409110822 560677939 /nfs/dbraw/zinc/67/79/39/560677939.db2.gz AGNYBBCZEYBDBV-UHFFFAOYSA-N 0 0 413.920 6.686 40 0 HKABRN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc21 ZINC000409110866 558936444 /nfs/dbraw/zinc/93/64/44/558936444.db2.gz ANODDDQXSFOEHW-MOSHPQCFSA-N 0 0 424.327 6.480 40 0 HKABRN CCOc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 ZINC000409110869 558936393 /nfs/dbraw/zinc/93/63/93/558936393.db2.gz ANUJLLLXDZBNAK-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN CCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1ccccc1Cl ZINC000409110908 558936529 /nfs/dbraw/zinc/93/65/29/558936529.db2.gz ZMZXTNOULWPBCG-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN COc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409110923 558936567 /nfs/dbraw/zinc/93/65/67/558936567.db2.gz AUDGIALGEDEKDP-UHFFFAOYSA-N 0 0 416.348 6.810 40 0 HKABRN CCCOc1c(Br)cc(CNc2cccc(Cl)c2C)cc1OCC ZINC000409110933 558936610 /nfs/dbraw/zinc/93/66/10/558936610.db2.gz AFJKTDWUNJAJQJ-UHFFFAOYSA-N 0 0 412.755 6.211 40 0 HKABRN Clc1ccc(OCc2ccccc2)c(CNc2ccc(Oc3ccccc3)cc2)c1 ZINC000409110963 560677924 /nfs/dbraw/zinc/67/79/24/560677924.db2.gz HORCOEUEYRHIEJ-UHFFFAOYSA-N 0 0 415.920 7.323 40 0 HKABRN CCc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(C)cc2)cc1 ZINC000409110966 558935808 /nfs/dbraw/zinc/93/58/08/558935808.db2.gz HPNHCESHIBTKII-UHFFFAOYSA-N 0 0 400.349 7.055 40 0 HKABRN CCCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)c2ccccc21 ZINC000409110970 560677950 /nfs/dbraw/zinc/67/79/50/560677950.db2.gz ZVERIRNORMWNEV-STZFKDTASA-N 0 0 421.899 6.355 40 0 HKABRN CCOc1ccc(/C=C2/c3ccccc3N(CC(C)C)C2=O)c2c(OCC)cccc12 ZINC000409110971 558935801 /nfs/dbraw/zinc/93/58/01/558935801.db2.gz AZJHDFKOHGCIDI-JWGURIENSA-N 0 0 415.533 6.180 40 0 HKABRN CCc1sc2nc(SCCc3ccccc3)n(-c3ccc(C)cc3)c(=O)c2c1C ZINC000409110988 558936851 /nfs/dbraw/zinc/93/68/51/558936851.db2.gz BBTWXQPSUDAOIQ-UHFFFAOYSA-N 0 0 420.603 5.961 40 0 HKABRN Cc1ccccc1CSCC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000409111066 558936849 /nfs/dbraw/zinc/93/68/49/558936849.db2.gz BLJGJCFLEZNWED-IBGZPJMESA-N 0 0 418.562 5.358 40 0 HKABRN Cc1ccccc1NCc1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409111072 558936836 /nfs/dbraw/zinc/93/68/36/558936836.db2.gz AODCEXOEMTWWSC-UHFFFAOYSA-N 0 0 422.355 7.646 40 0 HKABRN Cc1ccccc1CSCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000409111073 558937015 /nfs/dbraw/zinc/93/70/15/558937015.db2.gz BLJGJCFLEZNWED-LJQANCHMSA-N 0 0 418.562 5.358 40 0 HKABRN CCc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409111077 560677904 /nfs/dbraw/zinc/67/79/04/560677904.db2.gz BNWCHROWHKTJLB-UHFFFAOYSA-N 0 0 420.767 7.400 40 0 HKABRN Cc1ccc(S(=O)(=O)Oc2ccc(CNc3cccc(Cl)c3C)cc2)cc1 ZINC000409111090 558937000 /nfs/dbraw/zinc/93/70/00/558937000.db2.gz AHKYETQVKWDEJK-UHFFFAOYSA-N 0 0 401.915 5.337 40 0 HKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)c(C)c1 ZINC000409111096 560677892 /nfs/dbraw/zinc/67/78/92/560677892.db2.gz AUBPHJWLLSPBNB-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN CCc1ccccc1NCc1cc(Cl)ccc1OCc1cccc2ccccc21 ZINC000409111097 560677936 /nfs/dbraw/zinc/67/79/36/560677936.db2.gz AZKCVQBJBRDSTK-UHFFFAOYSA-N 0 0 401.937 7.247 40 0 HKABRN CCc1ccccc1NCc1ccc(OCc2ccc(C)cc2)c(Br)c1 ZINC000409111102 560677915 /nfs/dbraw/zinc/67/79/15/560677915.db2.gz AUNNGQNIAJMANV-UHFFFAOYSA-N 0 0 410.355 6.511 40 0 HKABRN Cc1ccc(COc2ccc3ccccc3c2CNc2cccc(Cl)c2C)cc1 ZINC000409111156 558936997 /nfs/dbraw/zinc/93/69/97/558936997.db2.gz BHPYUHZNHJARQX-UHFFFAOYSA-N 0 0 401.937 7.301 40 0 HKABRN Cc1cccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)c1 ZINC000409111166 560677949 /nfs/dbraw/zinc/67/79/49/560677949.db2.gz BISNKMFZUJIVSZ-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN COc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409111170 560677925 /nfs/dbraw/zinc/67/79/25/560677925.db2.gz BBIXAYVOFLRQJH-UHFFFAOYSA-N 0 0 416.348 6.810 40 0 HKABRN CCc1sc2nc(SCc3ccc(F)cc3)n(-c3ccc(C)cc3)c(=O)c2c1C ZINC000409111186 558937050 /nfs/dbraw/zinc/93/70/50/558937050.db2.gz BLCGLSQHALHUKY-UHFFFAOYSA-N 0 0 424.566 6.058 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1 ZINC000409111195 558936985 /nfs/dbraw/zinc/93/69/85/558936985.db2.gz ATGYFESBAWQXCJ-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN Clc1cc(Cl)c(OCc2cccc3ccccc32)c(CNc2ccccc2)c1 ZINC000409111253 558937004 /nfs/dbraw/zinc/93/70/04/558937004.db2.gz BQGHPTVKMPJOMU-UHFFFAOYSA-N 0 0 408.328 7.338 40 0 HKABRN COc1ccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)cc1 ZINC000409111262 560677901 /nfs/dbraw/zinc/67/79/01/560677901.db2.gz BTQQTAIRZOHULR-UHFFFAOYSA-N 0 0 416.290 5.788 40 0 HKABRN Cc1c(Cl)cccc1NCc1cccc(OCc2ccc(Br)cc2)c1 ZINC000409111266 558937035 /nfs/dbraw/zinc/93/70/35/558937035.db2.gz BVKPVHZAXXBMGK-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN COc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 ZINC000409111278 558937017 /nfs/dbraw/zinc/93/70/17/558937017.db2.gz BZZGXDDQKAIIHK-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN CCCc1sc2nc(Sc3ccccn3)n(-c3cccc(C)c3)c(=O)c2c1C ZINC000409111320 560677921 /nfs/dbraw/zinc/67/79/21/560677921.db2.gz HWWBAKUYKQGTDV-UHFFFAOYSA-N 0 0 407.564 5.563 40 0 HKABRN CCOc1cc(/C=C2/c3ccccc3N(CC)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409111334 560677914 /nfs/dbraw/zinc/67/79/14/560677914.db2.gz IDIYIOJJNVYGIQ-JCMHNJIXSA-N 0 0 417.480 5.711 40 0 HKABRN CCc1ccc(NCc2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 ZINC000409111339 560678004 /nfs/dbraw/zinc/67/80/04/560678004.db2.gz IFUBWJVCIQFPHB-UHFFFAOYSA-N 0 0 410.355 6.511 40 0 HKABRN CCCc1sc2nc(SCc3ccccc3)n(-c3ccc(F)cc3)c(=O)c2c1C ZINC000409111346 558937044 /nfs/dbraw/zinc/93/70/44/558937044.db2.gz IIZWJJZEDKACEW-UHFFFAOYSA-N 0 0 424.566 6.140 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1Cl ZINC000409111349 558937048 /nfs/dbraw/zinc/93/70/48/558937048.db2.gz IKUGTYJXDPRXAZ-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CCc1ccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)cc1 ZINC000409111376 558937265 /nfs/dbraw/zinc/93/72/65/558937265.db2.gz CHNSKNRASYLDNW-UHFFFAOYSA-N 0 0 414.318 6.342 40 0 HKABRN COc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2F)cc1 ZINC000409111381 560677971 /nfs/dbraw/zinc/67/79/71/560677971.db2.gz IMPVQWSCVXOQQM-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN COc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)cc1 ZINC000409111384 558937249 /nfs/dbraw/zinc/93/72/49/558937249.db2.gz INHBJZURJHXJHA-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN CCc1ccccc1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000409111399 558937258 /nfs/dbraw/zinc/93/72/58/558937258.db2.gz AJAVFMSAJKIYOM-UHFFFAOYSA-N 0 0 416.348 6.756 40 0 HKABRN Cc1cccc(NCc2ccc(OCc3cccc(Cl)c3)c(Br)c2)c1 ZINC000409111423 558937264 /nfs/dbraw/zinc/93/72/64/558937264.db2.gz IQXLSMBYFXOEMW-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN COc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 ZINC000409111424 558937263 /nfs/dbraw/zinc/93/72/63/558937263.db2.gz AMJQERLJCHHWGG-UHFFFAOYSA-N 0 0 416.290 5.788 40 0 HKABRN Cc1cccc(NCc2ccc(OCc3cccc4ccccc43)c(Cl)c2)c1C ZINC000409111454 560677973 /nfs/dbraw/zinc/67/79/73/560677973.db2.gz IUVIEEFTNACZBO-UHFFFAOYSA-N 0 0 401.937 7.301 40 0 HKABRN CCCc1sc2nc(Sc3ccccn3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C ZINC000409111463 558936534 /nfs/dbraw/zinc/93/65/34/558936534.db2.gz CWBSQXNIFZVZRC-UHFFFAOYSA-N 0 0 421.591 5.871 40 0 HKABRN Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2F)c1C ZINC000409111466 560678018 /nfs/dbraw/zinc/67/80/18/560678018.db2.gz IVXULXYPIDEQGP-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN Cc1ccc(Cl)cc1NCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000409111498 560677966 /nfs/dbraw/zinc/67/79/66/560677966.db2.gz ATVQWRFTSFFVAK-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)c(C)c1 ZINC000409111525 560678028 /nfs/dbraw/zinc/67/80/28/560678028.db2.gz DDUMDDXAEVXONG-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409111555 560677969 /nfs/dbraw/zinc/67/79/69/560677969.db2.gz AWOMVORQZVFEIQ-UHFFFAOYSA-N 0 0 415.892 6.078 40 0 HKABRN Cc1ccccc1NCc1cc(Br)ccc1OCc1ccccc1F ZINC000409111614 560678027 /nfs/dbraw/zinc/67/80/27/560678027.db2.gz BCPZCVNKRBARMF-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(F)c1 ZINC000409111627 558937409 /nfs/dbraw/zinc/93/74/09/558937409.db2.gz DOVPLWGNYREEOC-UHFFFAOYSA-N 0 0 420.311 6.641 40 0 HKABRN CCOc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)cc1 ZINC000409111651 560677989 /nfs/dbraw/zinc/67/79/89/560677989.db2.gz BIPIRUDMEQVBBU-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)c2ccccc21 ZINC000409111664 560678030 /nfs/dbraw/zinc/67/80/30/560678030.db2.gz BWAMGBMXIMPPQA-JCMHNJIXSA-N 0 0 417.480 5.711 40 0 HKABRN Cc1c(Cl)cccc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000409111677 560677995 /nfs/dbraw/zinc/67/79/95/560677995.db2.gz DLXSCHMKCJBJHR-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CCCOc1c(I)cc(CNc2ccccc2)cc1OCC ZINC000409111680 558937442 /nfs/dbraw/zinc/93/74/42/558937442.db2.gz DUSLENVRRUPVSS-UHFFFAOYSA-N 0 0 411.283 5.091 40 0 HKABRN Cc1cccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)c1 ZINC000409111703 558937309 /nfs/dbraw/zinc/93/73/09/558937309.db2.gz DOFWOTBDEKUIMO-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN CCOc1cc(CNc2ccccc2CC)cc(Cl)c1OCc1cccc(F)c1 ZINC000409111739 560678033 /nfs/dbraw/zinc/67/80/33/560678033.db2.gz BWUBNFMDRVWAHE-UHFFFAOYSA-N 0 0 413.920 6.631 40 0 HKABRN CCc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 ZINC000409111743 558937387 /nfs/dbraw/zinc/93/73/87/558937387.db2.gz DTNYTOLJVUYTAR-UHFFFAOYSA-N 0 0 414.318 6.342 40 0 HKABRN CCc1ccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000409111748 558937445 /nfs/dbraw/zinc/93/74/45/558937445.db2.gz DUPKNHCPDUZZTH-UHFFFAOYSA-N 0 0 414.318 6.342 40 0 HKABRN CCOc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1ccccc1Cl ZINC000409111763 558937325 /nfs/dbraw/zinc/93/73/25/558937325.db2.gz DVPHUCRTCMWFAK-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN Cc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)c1 ZINC000409111768 560677980 /nfs/dbraw/zinc/67/79/80/560677980.db2.gz DWWPQSOAAQXMQE-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN Cc1ccc(COc2ccc(Br)cc2CNc2cc(C)ccc2C)cc1 ZINC000409111781 558937431 /nfs/dbraw/zinc/93/74/31/558937431.db2.gz CPZRBLQMCWEFBR-UHFFFAOYSA-N 0 0 410.355 6.565 40 0 HKABRN Cc1ccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1Cl ZINC000409111799 558937366 /nfs/dbraw/zinc/93/73/66/558937366.db2.gz CSBCYBZSALLOAG-UHFFFAOYSA-N 0 0 424.730 7.285 40 0 HKABRN COc1cc(CNc2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409111867 558937412 /nfs/dbraw/zinc/93/74/12/558937412.db2.gz DLASIYOOWYTIEE-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN CCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccc(Cl)cc1 ZINC000409111915 560677996 /nfs/dbraw/zinc/67/79/96/560677996.db2.gz ABMAENATRSJPTG-MOSHPQCFSA-N 0 0 405.881 5.810 40 0 HKABRN CCOc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409111937 560678096 /nfs/dbraw/zinc/67/80/96/560678096.db2.gz AMGADTUVYUUTLE-UHFFFAOYSA-N 0 0 413.920 6.686 40 0 HKABRN Cc1cccc(NCc2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)c1 ZINC000409111957 558937218 /nfs/dbraw/zinc/93/72/18/558937218.db2.gz AYJLOWDSZQIWAE-UHFFFAOYSA-N 0 0 422.355 7.646 40 0 HKABRN Cc1ccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)cc1C ZINC000409112078 560678099 /nfs/dbraw/zinc/67/80/99/560678099.db2.gz BSRJTSWBVQQFTI-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN COc1cc(CNc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000409112093 558937351 /nfs/dbraw/zinc/93/73/51/558937351.db2.gz KDBIMNUGNVWMRY-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN Cc1cccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)c1C ZINC000409112094 558937370 /nfs/dbraw/zinc/93/73/70/558937370.db2.gz BVKJERBASJKKQW-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN CCOc1cc(CNc2cccc(C)c2C)ccc1OCc1cccc2ccccc21 ZINC000409112116 558937414 /nfs/dbraw/zinc/93/74/14/558937414.db2.gz KFYNYWXODJVAKN-UHFFFAOYSA-N 0 0 411.545 7.046 40 0 HKABRN CCc1ccccc1NCc1cc(Cl)c(OCc2ccc(C)cc2)c(Cl)c1 ZINC000409112150 560678083 /nfs/dbraw/zinc/67/80/83/560678083.db2.gz BOZNGNBHFNEMBM-UHFFFAOYSA-N 0 0 400.349 7.055 40 0 HKABRN CCc1ccccc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000409112178 560678086 /nfs/dbraw/zinc/67/80/86/560678086.db2.gz BEOBFACDHNSUOY-UHFFFAOYSA-N 0 0 420.767 7.400 40 0 HKABRN COc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1Cl ZINC000409112239 560678081 /nfs/dbraw/zinc/67/80/81/560678081.db2.gz FMHMDPDXVOKASH-UHFFFAOYSA-N 0 0 416.348 6.810 40 0 HKABRN CCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1cccc(Cl)c1 ZINC000409112257 558937994 /nfs/dbraw/zinc/93/79/94/558937994.db2.gz FODWGFZIKCOMNQ-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)cc1C ZINC000409112325 560678073 /nfs/dbraw/zinc/67/80/73/560678073.db2.gz FWUAOPJWNMPDGS-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409112350 558937660 /nfs/dbraw/zinc/93/76/60/558937660.db2.gz FXAHGHAJPJKNQQ-UHFFFAOYSA-N 0 0 413.920 6.631 40 0 HKABRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)c2ccccc21 ZINC000409112375 560678075 /nfs/dbraw/zinc/67/80/75/560678075.db2.gz GCKYWQOMMKFULW-QNGOZBTKSA-N 0 0 417.480 5.711 40 0 HKABRN Cc1cccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1 ZINC000409112379 560678082 /nfs/dbraw/zinc/67/80/82/560678082.db2.gz BRNFGAVMAPZUNE-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN C[C@H](NC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)cc1)c1ccccc1 ZINC000409112387 560678088 /nfs/dbraw/zinc/67/80/88/560678088.db2.gz FYZFGCFPDZBYDM-INIZCTEOSA-N 0 0 424.953 5.562 40 0 HKABRN C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)cc1)c1ccccc1 ZINC000409112392 560678079 /nfs/dbraw/zinc/67/80/79/560678079.db2.gz FYZFGCFPDZBYDM-MRXNPFEDSA-N 0 0 424.953 5.562 40 0 HKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2F)cc1C ZINC000409112404 558937582 /nfs/dbraw/zinc/93/75/82/558937582.db2.gz GBLSULMISDXWTC-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN Cc1ccc(C)c(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1 ZINC000409112424 560678097 /nfs/dbraw/zinc/67/80/97/560678097.db2.gz CPUMLZKSRXHWCM-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)c(C)c1 ZINC000409112426 560678076 /nfs/dbraw/zinc/67/80/76/560678076.db2.gz CQNVMQGDOXRWBV-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN Cc1ccc(COc2c(Cl)cc(Cl)cc2CNc2cccc(C)c2C)cc1 ZINC000409112434 560678067 /nfs/dbraw/zinc/67/80/67/560678067.db2.gz GHCLSEYKHCXYBP-UHFFFAOYSA-N 0 0 400.349 7.110 40 0 HKABRN CCCN1c2ccccc2/C(=C/c2c(OCC)ccc3ccc(OCC)cc32)C1=O ZINC000409112448 560678128 /nfs/dbraw/zinc/67/81/28/560678128.db2.gz GNVFWEFFZOFUBJ-QJOMJCCJSA-N 0 0 401.506 5.934 40 0 HKABRN CCOc1ccc(NCc2ccc(OCc3cccc4ccccc43)c(OC)c2)cc1 ZINC000409112466 558937561 /nfs/dbraw/zinc/93/75/61/558937561.db2.gz GJVMDQWUOXLGEJ-UHFFFAOYSA-N 0 0 413.517 6.438 40 0 HKABRN CCCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(OCC)cc1 ZINC000409112467 560678146 /nfs/dbraw/zinc/67/81/46/560678146.db2.gz CYSVXXFGEFAXQT-UHFFFAOYSA-N 0 0 402.585 5.609 40 0 HKABRN CCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)c2ccccc21 ZINC000409112468 560678140 /nfs/dbraw/zinc/67/81/40/560678140.db2.gz DHPBTXMLRXNZMV-JWGURIENSA-N 0 0 403.909 6.216 40 0 HKABRN Clc1ccc(COc2ccccc2CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000409112475 558937675 /nfs/dbraw/zinc/93/76/75/558937675.db2.gz GRSGYVYHIHEKFY-UHFFFAOYSA-N 0 0 415.920 7.323 40 0 HKABRN Cc1ccccc1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409112483 558937580 /nfs/dbraw/zinc/93/75/80/558937580.db2.gz CZSNPDKQCOLLBS-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CCc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)cc1 ZINC000409112484 560678135 /nfs/dbraw/zinc/67/81/35/560678135.db2.gz GUGIOIRXGIKEQS-UHFFFAOYSA-N 0 0 420.767 7.400 40 0 HKABRN CCCc1sc2nc(SCCc3ccccc3)n(-c3ccccc3)c(=O)c2c1C ZINC000409112528 558937665 /nfs/dbraw/zinc/93/76/65/558937665.db2.gz GRPUEMBAPPUFLI-UHFFFAOYSA-N 0 0 420.603 6.043 40 0 HKABRN COc1ccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc32)cc1 ZINC000409112565 558937564 /nfs/dbraw/zinc/93/75/64/558937564.db2.gz DYKNIXKPWXJGJA-UHFFFAOYSA-N 0 0 403.909 6.693 40 0 HKABRN CCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)c2ccccc21 ZINC000409112568 560678144 /nfs/dbraw/zinc/67/81/44/560678144.db2.gz DZCDGWGLSVPKIF-PGMHBOJBSA-N 0 0 403.909 6.216 40 0 HKABRN Cc1ccc(Cl)cc1NCc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409112572 558937599 /nfs/dbraw/zinc/93/75/99/558937599.db2.gz DZJISGPSACBDJZ-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Cl)c1OCc1ccccc1F ZINC000409112603 560678133 /nfs/dbraw/zinc/67/81/33/560678133.db2.gz FCZMTBSDRWTEBR-YVLHZVERSA-N 0 0 409.844 5.559 40 0 HKABRN CCOc1ccc(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 ZINC000409112621 560678123 /nfs/dbraw/zinc/67/81/23/560678123.db2.gz FGSUHXADKFYESR-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)c2ccccc21 ZINC000409112660 558937801 /nfs/dbraw/zinc/93/78/01/558937801.db2.gz FWTWQYDSCZLJGH-UYRXBGFRSA-N 0 0 424.327 6.480 40 0 HKABRN COc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc(Br)c1OC ZINC000409112688 560678120 /nfs/dbraw/zinc/67/81/20/560678120.db2.gz FWRNUSTXHRFRNJ-SXGWCWSVSA-N 0 0 416.315 5.010 40 0 HKABRN Cc1cccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)c1C ZINC000409112727 558937782 /nfs/dbraw/zinc/93/77/82/558937782.db2.gz CGGBHOQHRNRNKH-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN CCc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000409112730 558937819 /nfs/dbraw/zinc/93/78/19/558937819.db2.gz CHBLIAVOKVGQEN-UHFFFAOYSA-N 0 0 416.348 6.756 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 ZINC000409112746 558937739 /nfs/dbraw/zinc/93/77/39/558937739.db2.gz CNZQFCDFXZWWFR-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN CCOc1cc(CNc2ccc(OC)cc2)ccc1OCc1cccc2ccccc21 ZINC000409112749 558937899 /nfs/dbraw/zinc/93/78/99/558937899.db2.gz CPHJCDUEBFTHJS-UHFFFAOYSA-N 0 0 413.517 6.438 40 0 HKABRN CCOC(=O)c1c(NC(=O)C(F)(F)F)oc(-c2ccccc2)c1-c1ccccc1 ZINC000409112794 558937859 /nfs/dbraw/zinc/93/78/59/558937859.db2.gz BZMMSKNYAPXFFR-UHFFFAOYSA-N 0 0 403.356 5.291 40 0 HKABRN Cc1c(Cl)cccc1NCc1c(OCc2cccc(F)c2)ccc2ccccc21 ZINC000409112811 558937742 /nfs/dbraw/zinc/93/77/42/558937742.db2.gz CCEZIGYIHNFUGJ-UHFFFAOYSA-N 0 0 405.900 7.132 40 0 HKABRN CCCCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(Cl)cc1 ZINC000409112831 560678137 /nfs/dbraw/zinc/67/81/37/560678137.db2.gz DHXUXZIKTPXJSJ-UHFFFAOYSA-N 0 0 407.004 6.254 40 0 HKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2)cc1Cl ZINC000409112859 558937878 /nfs/dbraw/zinc/93/78/78/558937878.db2.gz CJPZFZPBHFHYDW-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1ccc(Cl)cc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000409112879 558937576 /nfs/dbraw/zinc/93/75/76/558937576.db2.gz DNOKSRHLYWXPNE-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1ccc(COc2ccc(CNc3ccc(C)c(C)c3)cc2Br)cc1 ZINC000409112895 560678139 /nfs/dbraw/zinc/67/81/39/560678139.db2.gz MHAUQEQRTVBEQB-UHFFFAOYSA-N 0 0 410.355 6.565 40 0 HKABRN CCCN1c2ccccc2/C(=C/c2ccc(OCc3ccccc3)c(OCC)c2)C1=O ZINC000409112933 560678132 /nfs/dbraw/zinc/67/81/32/560678132.db2.gz MMKHZDDKYJTDFN-QJOMJCCJSA-N 0 0 413.517 5.962 40 0 HKABRN CCCc1sc2nc(SCc3cccc(C)c3)n(-c3ccccc3)c(=O)c2c1C ZINC000409112961 560678142 /nfs/dbraw/zinc/67/81/42/560678142.db2.gz MSFWKTVXOFWYMR-UHFFFAOYSA-N 0 0 420.603 6.309 40 0 HKABRN CCCN1c2ccccc2/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)C1=O ZINC000409112981 560678153 /nfs/dbraw/zinc/67/81/53/560678153.db2.gz MWEFBWCQCARHCL-DIBXZPPDSA-N 0 0 419.524 6.716 40 0 HKABRN CCc1ccccc1NCc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000409113032 558937998 /nfs/dbraw/zinc/93/79/98/558937998.db2.gz DFKPKAJCGRTPCL-UHFFFAOYSA-N 0 0 401.937 7.247 40 0 HKABRN COc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1Cl ZINC000409113040 560678110 /nfs/dbraw/zinc/67/81/10/560678110.db2.gz NFPXYIHJIGMGTC-UHFFFAOYSA-N 0 0 416.348 6.810 40 0 HKABRN Cc1ccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)c(C)c1 ZINC000409113044 560678113 /nfs/dbraw/zinc/67/81/13/560678113.db2.gz NGSFOHWXOSKPPJ-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN CCOc1cc(CNc2ccccc2C)cc(Cl)c1OCc1ccccc1Cl ZINC000409113056 560678217 /nfs/dbraw/zinc/67/82/17/560678217.db2.gz DHMPLGZCJHXBJK-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)c2ccccc21 ZINC000409113071 558938319 /nfs/dbraw/zinc/93/83/19/558938319.db2.gz NJLCQHKKSAJZFQ-RGEXLXHISA-N 0 0 408.295 6.006 40 0 HKABRN Cc1c(Cl)cccc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1F ZINC000409113079 560678220 /nfs/dbraw/zinc/67/82/20/560678220.db2.gz HWVVLHMWSJQSJI-UHFFFAOYSA-N 0 0 424.730 7.285 40 0 HKABRN CCOc1ccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000409113142 558938444 /nfs/dbraw/zinc/93/84/44/558938444.db2.gz GVTYQNAHYAXXMA-UHFFFAOYSA-N 0 0 415.892 6.078 40 0 HKABRN Cc1ccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)c(C)c1 ZINC000409113152 558938379 /nfs/dbraw/zinc/93/83/79/558938379.db2.gz IDMOGPOXCOLVHH-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN CC(C)CN1C(=O)/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccc21 ZINC000409113157 560678249 /nfs/dbraw/zinc/67/82/49/560678249.db2.gz GXSFLQBHGRSVMF-MOSHPQCFSA-N 0 0 405.582 6.530 40 0 HKABRN Cc1ccc(Cl)cc1NCc1ccc(OCc2ccccc2)c(Br)c1 ZINC000409113174 560678209 /nfs/dbraw/zinc/67/82/09/560678209.db2.gz IIOWMLLDYLFIDT-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Cc1ccc(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1Cl ZINC000409113180 558938490 /nfs/dbraw/zinc/93/84/90/558938490.db2.gz DUMQCNBAQCLEEN-UHFFFAOYSA-N 0 0 424.730 7.285 40 0 HKABRN Cc1ccc(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c(C)c1 ZINC000409113225 560678207 /nfs/dbraw/zinc/67/82/07/560678207.db2.gz HDVSHEHWAXGVFZ-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN Cc1c(Cl)cccc1NCc1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000409113234 558938410 /nfs/dbraw/zinc/93/84/10/558938410.db2.gz DZMNQWFTFPVHPY-UHFFFAOYSA-N 0 0 424.730 7.285 40 0 HKABRN COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409113268 560678230 /nfs/dbraw/zinc/67/82/30/560678230.db2.gz HJLASIKFJWJRKO-ZDLGFXPLSA-N 0 0 409.844 5.559 40 0 HKABRN COc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409113287 560678272 /nfs/dbraw/zinc/67/82/72/560678272.db2.gz FIGGQWOOWWTUMJ-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN CCOc1ccc(NCc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 ZINC000409113333 558938453 /nfs/dbraw/zinc/93/84/53/558938453.db2.gz AIIIZQRIWUWRRV-UHFFFAOYSA-N 0 0 415.892 6.078 40 0 HKABRN Cc1ccc(C)c(NCc2ccc(OCc3cccc4ccccc43)c(Cl)c2)c1 ZINC000409113359 558938403 /nfs/dbraw/zinc/93/84/03/558938403.db2.gz FQAFEGQTTGYWQI-UHFFFAOYSA-N 0 0 401.937 7.301 40 0 HKABRN Cc1ccc(NC(=O)c2c3c(sc2NC(=O)c2ccccc2C)CCCC3)cc1C ZINC000409113382 558938514 /nfs/dbraw/zinc/93/85/14/558938514.db2.gz FTZFUKYLAPBUTQ-UHFFFAOYSA-N 0 0 418.562 6.057 40 0 HKABRN Brc1ccc(COc2ccc3ccccc3c2CNc2ccccc2)cc1 ZINC000409113420 560678222 /nfs/dbraw/zinc/67/82/22/560678222.db2.gz ICPLLVBSPPXJBO-UHFFFAOYSA-N 0 0 418.334 6.793 40 0 HKABRN CCOc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(C)cc2)cc1 ZINC000409113425 558938439 /nfs/dbraw/zinc/93/84/39/558938439.db2.gz ATVWIVJRKWRAOF-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c(C)c1 ZINC000409113475 558938474 /nfs/dbraw/zinc/93/84/74/558938474.db2.gz AZHPGNNLATYYHF-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN CCc1ccccc1NCc1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000409113506 558938396 /nfs/dbraw/zinc/93/83/96/558938396.db2.gz BHWCMOOVVGRASC-UHFFFAOYSA-N 0 0 414.318 6.342 40 0 HKABRN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCC3)cc1 ZINC000409113529 558938499 /nfs/dbraw/zinc/93/84/99/558938499.db2.gz GQASKIZMEUHSBJ-UHFFFAOYSA-N 0 0 418.562 6.057 40 0 HKABRN CCCOc1c(Br)cc(Br)cc1CNc1cccc(C)c1 ZINC000409113530 560678247 /nfs/dbraw/zinc/67/82/47/560678247.db2.gz BOWIZWFJGHNPIQ-UHFFFAOYSA-N 0 0 413.153 5.921 40 0 HKABRN Cc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)c1 ZINC000409113535 558938407 /nfs/dbraw/zinc/93/84/07/558938407.db2.gz GRCDNWMSVAUTNK-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN Cc1ccc(Cl)cc1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409113557 558938495 /nfs/dbraw/zinc/93/84/95/558938495.db2.gz HDFLJBJWJAHPOB-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CCCCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(OCC)cc1 ZINC000409113585 558938391 /nfs/dbraw/zinc/93/83/91/558938391.db2.gz HQJSSVNXOVUKIH-UHFFFAOYSA-N 0 0 416.612 5.999 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c(C)c1 ZINC000409113588 558938437 /nfs/dbraw/zinc/93/84/37/558938437.db2.gz DSLKPRIAZXUZLZ-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c2ccccc21 ZINC000409113600 558938480 /nfs/dbraw/zinc/93/84/80/558938480.db2.gz DTAFPJRTWWJZTC-BKUYFWCQSA-N 0 0 424.327 6.480 40 0 HKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)cc1C ZINC000409113689 558938657 /nfs/dbraw/zinc/93/86/57/558938657.db2.gz FVGANNXIDVJBIG-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN CCCOc1c(Cl)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OCC ZINC000409113696 558938897 /nfs/dbraw/zinc/93/88/97/558938897.db2.gz FYLYOXXZKCVZIT-UHFFFAOYSA-N 0 0 411.929 6.932 40 0 HKABRN Cc1ccccc1NCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000409113748 560678355 /nfs/dbraw/zinc/67/83/55/560678355.db2.gz FGXSCGBCRVGWKS-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN COc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)cc1 ZINC000409113775 560678352 /nfs/dbraw/zinc/67/83/52/560678352.db2.gz NUXCMJXZXSIORK-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN Cc1ccccc1NCc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409113778 560678344 /nfs/dbraw/zinc/67/83/44/560678344.db2.gz NVTDAYCBTAXOPH-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c2ccccc21 ZINC000409113783 560678331 /nfs/dbraw/zinc/67/83/31/560678331.db2.gz NXPDTNDSZYUVFN-STZFKDTASA-N 0 0 419.908 5.835 40 0 HKABRN Cc1ccccc1NCc1ccc(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409113862 560678333 /nfs/dbraw/zinc/67/83/33/560678333.db2.gz JELFMUALKADTCH-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Cc1cccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c1 ZINC000409113869 558939261 /nfs/dbraw/zinc/93/92/61/558939261.db2.gz JFOBLCGQHZCVRY-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Cc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409113873 558939230 /nfs/dbraw/zinc/93/92/30/558939230.db2.gz JGLIBKOPMUMCQR-UHFFFAOYSA-N 0 0 422.355 7.646 40 0 HKABRN CC(C)CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)c2ccccc21 ZINC000409113907 558939048 /nfs/dbraw/zinc/93/90/48/558939048.db2.gz GGJIRWMNFVQZBV-JCMHNJIXSA-N 0 0 417.936 6.462 40 0 HKABRN CCOC(=O)c1c(NC(=O)/C(=C/c2ccco2)c2ccccc2)sc2c1CCCC2 ZINC000409113910 558939011 /nfs/dbraw/zinc/93/90/11/558939011.db2.gz ORIYUNOTDRSLKG-XDJHFCHBSA-N 0 0 421.518 5.576 40 0 HKABRN COc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409113915 558939003 /nfs/dbraw/zinc/93/90/03/558939003.db2.gz JLTZBZWJCHASMM-UHFFFAOYSA-N 0 0 416.348 6.810 40 0 HKABRN CCCOc1c(Br)cc(CNc2cc(Cl)ccc2C)cc1OCC ZINC000409113920 560678349 /nfs/dbraw/zinc/67/83/49/560678349.db2.gz JMQRJYJUYCKDCZ-UHFFFAOYSA-N 0 0 412.755 6.211 40 0 HKABRN COc1cc(CNc2ccccc2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409113937 558939077 /nfs/dbraw/zinc/93/90/77/558939077.db2.gz GMLFBJBFFDACJY-UHFFFAOYSA-N 0 0 417.936 7.001 40 0 HKABRN Cc1ccc(S(=O)(=O)Oc2ccccc2CNc2cccc(Cl)c2C)cc1 ZINC000409113952 558939001 /nfs/dbraw/zinc/93/90/01/558939001.db2.gz HVSNHPKWFIQDQB-UHFFFAOYSA-N 0 0 401.915 5.337 40 0 HKABRN CCc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409113959 560678884 /nfs/dbraw/zinc/67/88/84/560678884.db2.gz OYLDDCJJWZVRJT-UHFFFAOYSA-N 0 0 420.767 7.400 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000409113973 558939015 /nfs/dbraw/zinc/93/90/15/558939015.db2.gz JYAMOELSNQPNFJ-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1ccccc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000409114011 558939035 /nfs/dbraw/zinc/93/90/35/558939035.db2.gz PGJRHGKTSFJJPQ-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN COc1ccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000409114020 558939068 /nfs/dbraw/zinc/93/90/68/558939068.db2.gz KELOYNXRMQYHRE-UHFFFAOYSA-N 0 0 401.865 5.687 40 0 HKABRN Cc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccc(Cl)cc2)cc1C ZINC000409114031 558939018 /nfs/dbraw/zinc/93/90/18/558939018.db2.gz ICEMOQMCPWLFGE-UHFFFAOYSA-N 0 0 423.944 6.636 40 0 HKABRN Cc1c(Cl)cccc1NCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000409114034 560678419 /nfs/dbraw/zinc/67/84/19/560678419.db2.gz PLXCGVWCPYHCQF-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1ccc(COc2ccc(/C=C3\C(=O)Nc4ccccc43)cc2Br)cc1 ZINC000409114041 558938991 /nfs/dbraw/zinc/93/89/91/558938991.db2.gz KGDPFZUGESQISR-UNOMPAQXSA-N 0 0 420.306 5.829 40 0 HKABRN COc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409114062 560678502 /nfs/dbraw/zinc/67/85/02/560678502.db2.gz IKFUPYVJNVTFGY-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN CCOc1ccc(NCc2ccc(OCc3ccccc3)c(Br)c2)cc1 ZINC000409114072 558939021 /nfs/dbraw/zinc/93/90/21/558939021.db2.gz BRTSCGCRCZRLNN-UHFFFAOYSA-N 0 0 412.327 6.039 40 0 HKABRN Cc1ccc(Cl)cc1NCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000409114075 558939022 /nfs/dbraw/zinc/93/90/22/558939022.db2.gz BSWMNVDGLZQQKX-UHFFFAOYSA-N 0 0 405.900 7.132 40 0 HKABRN CCOc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2F)cc1 ZINC000409114077 560678620 /nfs/dbraw/zinc/67/86/20/560678620.db2.gz BTEYCDFDOJGCHO-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN CCOc1cc(CNc2ccccc2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409114082 558939051 /nfs/dbraw/zinc/93/90/51/558939051.db2.gz BVOPLBPPROXCCN-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409114090 558939032 /nfs/dbraw/zinc/93/90/32/558939032.db2.gz BWLQYRNIYPFWJG-UHFFFAOYSA-N 0 0 420.311 6.641 40 0 HKABRN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2CC(C)C)c(C)c1 ZINC000409114116 560679998 /nfs/dbraw/zinc/67/99/98/560679998.db2.gz ISGWCPUMPDPIIG-UHFFFAOYSA-N 0 0 408.571 5.257 40 0 HKABRN Cc1cccc(NCc2cc(Br)ccc2OCc2ccccc2F)c1C ZINC000409114120 558939071 /nfs/dbraw/zinc/93/90/71/558939071.db2.gz CLTNBFGZFNTBLP-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN CCc1ccccc1NCc1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409114175 560678077 /nfs/dbraw/zinc/67/80/77/560678077.db2.gz CZZVMCQAAKQFGU-UHFFFAOYSA-N 0 0 420.767 7.400 40 0 HKABRN O=C(Nc1ccccc1-c1ccccc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000409114183 558938993 /nfs/dbraw/zinc/93/89/93/558938993.db2.gz DCUTWTKNWFJHBM-LYBHJNIJSA-N 0 0 409.916 7.186 40 0 HKABRN Cc1ccccc1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000409114185 558938999 /nfs/dbraw/zinc/93/89/99/558938999.db2.gz DGNFFEIJIHOEOG-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Cc1ccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc32)cc1C ZINC000409114199 558938997 /nfs/dbraw/zinc/93/89/97/558938997.db2.gz DNIXFSZLAIGKSZ-UHFFFAOYSA-N 0 0 401.937 7.301 40 0 HKABRN Cc1ccc(COc2ccc(Br)cc2CNc2ccc(C)cc2C)cc1 ZINC000409114228 558939211 /nfs/dbraw/zinc/93/92/11/558939211.db2.gz GNMZEXVEYHQKOY-UHFFFAOYSA-N 0 0 410.355 6.565 40 0 HKABRN Clc1cccc(COc2cccc(CNc3ccc(Oc4ccccc4)cc3)c2)c1 ZINC000409114316 560679995 /nfs/dbraw/zinc/67/99/95/560679995.db2.gz JAVMANSIKWNEHS-UHFFFAOYSA-N 0 0 415.920 7.323 40 0 HKABRN Cc1c(Cl)cccc1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000409114339 558939194 /nfs/dbraw/zinc/93/91/94/558939194.db2.gz GWELTDQFQRAKKV-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN COc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1 ZINC000409114361 558939169 /nfs/dbraw/zinc/93/91/69/558939169.db2.gz HFUSETURASCFBZ-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN Cc1ccc(S(=O)(=O)Oc2ccc(CNc3cc(Cl)ccc3C)cc2)cc1 ZINC000409114365 560680153 /nfs/dbraw/zinc/68/01/53/560680153.db2.gz HADVLBHXASMBAD-UHFFFAOYSA-N 0 0 401.915 5.337 40 0 HKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2F)c(C)c1 ZINC000409114381 560680173 /nfs/dbraw/zinc/68/01/73/560680173.db2.gz JILFNJLQOHZHGJ-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN CCc1sc2nc(SCc3ccccc3F)n(-c3ccc(C)cc3)c(=O)c2c1C ZINC000409114417 560680168 /nfs/dbraw/zinc/68/01/68/560680168.db2.gz HGESQRIRKADUGT-UHFFFAOYSA-N 0 0 424.566 6.058 40 0 HKABRN Cc1ccc(COc2ccc(CNc3ccc(C)cc3C)cc2Br)cc1 ZINC000409114420 558939247 /nfs/dbraw/zinc/93/92/47/558939247.db2.gz HMYUGJMKQPNJND-UHFFFAOYSA-N 0 0 410.355 6.565 40 0 HKABRN Cc1ccc(Cl)cc1NCc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000409114487 558939417 /nfs/dbraw/zinc/93/94/17/558939417.db2.gz HRPCKEZCPVJLCU-UHFFFAOYSA-N 0 0 422.355 7.646 40 0 HKABRN CCCN1C(=O)/C(=C\c2cc(Br)c(OC)c(OCC)c2)c2ccccc21 ZINC000409114496 560680136 /nfs/dbraw/zinc/68/01/36/560680136.db2.gz HTERLWKGHPNOMX-WJDWOHSUSA-N 0 0 416.315 5.154 40 0 HKABRN CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc21 ZINC000409114517 560678490 /nfs/dbraw/zinc/67/84/90/560678490.db2.gz GPOAZNAXJAEVGC-UHFFFAOYSA-N 0 0 411.545 7.046 40 0 HKABRN COc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)cc1 ZINC000409114546 560680174 /nfs/dbraw/zinc/68/01/74/560680174.db2.gz HFWRIHIOOVBPHU-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1 ZINC000409114564 558939161 /nfs/dbraw/zinc/93/91/61/558939161.db2.gz HJBQRUXUMAHGAZ-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN Cc1ccc(COc2c(Cl)cc(Cl)cc2CNc2cc(Cl)ccc2C)cc1 ZINC000409114608 558939936 /nfs/dbraw/zinc/93/99/36/558939936.db2.gz KMXOYOJOTGZZFC-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN CCOc1ccc(NCc2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000409114611 560678679 /nfs/dbraw/zinc/67/86/79/560678679.db2.gz KNFOAVUBBWMUEB-UHFFFAOYSA-N 0 0 412.327 6.039 40 0 HKABRN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)c2ccccc21 ZINC000409114663 558939901 /nfs/dbraw/zinc/93/99/01/558939901.db2.gz IALJBEXRWIJUGN-ZHZULCJRSA-N 0 0 419.908 5.835 40 0 HKABRN Cc1ccc(Cl)cc1NCc1cc(Br)ccc1OCc1ccccc1 ZINC000409114664 558939838 /nfs/dbraw/zinc/93/98/38/558939838.db2.gz KUATVLYLRHUKHH-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN CC(C)CN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)c2ccccc21 ZINC000409114718 558939897 /nfs/dbraw/zinc/93/98/97/558939897.db2.gz IFFHAHSRPKEOSY-MOSHPQCFSA-N 0 0 411.423 6.509 40 0 HKABRN Cc1cccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1C ZINC000409114764 558939857 /nfs/dbraw/zinc/93/98/57/558939857.db2.gz JEOGPHZKJMUZPQ-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN CCCc1sc2nc(SCc3ccccc3)n(-c3cccc(C)c3)c(=O)c2c1C ZINC000409114773 558939842 /nfs/dbraw/zinc/93/98/42/558939842.db2.gz LCEQMRZKBWHQOB-UHFFFAOYSA-N 0 0 420.603 6.309 40 0 HKABRN CCc1ccccc1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409114781 560680141 /nfs/dbraw/zinc/68/01/41/560680141.db2.gz QGIKXJBSGIDBDT-UHFFFAOYSA-N 0 0 420.767 7.400 40 0 HKABRN Cc1ccc(C)c(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)c1 ZINC000409114793 560680134 /nfs/dbraw/zinc/68/01/34/560680134.db2.gz LEZDWPNOFAKFHK-UHFFFAOYSA-N 0 0 401.937 7.301 40 0 HKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000409114798 558940136 /nfs/dbraw/zinc/94/01/36/558940136.db2.gz JIRUWHSXWBXENC-UHFFFAOYSA-N 0 0 409.382 5.133 40 0 HKABRN CCc1ccccc1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409114814 560680167 /nfs/dbraw/zinc/68/01/67/560680167.db2.gz LIJTZOLEKWZCRT-UHFFFAOYSA-N 0 0 420.767 7.400 40 0 HKABRN CCOc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1 ZINC000409114834 558940121 /nfs/dbraw/zinc/94/01/21/558940121.db2.gz LLQFKBZETWUPIP-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN Cc1cccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 ZINC000409114838 560680160 /nfs/dbraw/zinc/68/01/60/560680160.db2.gz JNJMZOIBROZBAD-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)c2ccccc21 ZINC000409114839 558940129 /nfs/dbraw/zinc/94/01/29/558940129.db2.gz LNBSQZRCCNWLPA-VBKFSLOCSA-N 0 0 417.814 6.526 40 0 HKABRN Cc1cccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c1C ZINC000409114864 560680145 /nfs/dbraw/zinc/68/01/45/560680145.db2.gz QSHLTXODRXLVCG-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN Cc1cccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1C ZINC000409114903 558940103 /nfs/dbraw/zinc/94/01/03/558940103.db2.gz RBZOGIXUDJAFNM-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN CC1(C)OC(=O)C([C@H](c2c[nH]c3ccccc32)c2ccc(Cl)cc2Cl)C(=O)O1 ZINC000409114918 558940138 /nfs/dbraw/zinc/94/01/38/558940138.db2.gz DXTQZDKRLOPYLE-KRWDZBQOSA-N 0 0 418.276 5.059 40 0 HKABRN CC1(C)OC(=O)C([C@@H](c2c[nH]c3ccccc32)c2ccc(Cl)cc2Cl)C(=O)O1 ZINC000409114919 558940157 /nfs/dbraw/zinc/94/01/57/558940157.db2.gz DXTQZDKRLOPYLE-QGZVFWFLSA-N 0 0 418.276 5.059 40 0 HKABRN Cc1c(Cl)cccc1NCc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000409114947 558940298 /nfs/dbraw/zinc/94/02/98/558940298.db2.gz FNOCWOMHZZRYSQ-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CCc1ccccc1NCc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000409114954 560680171 /nfs/dbraw/zinc/68/01/71/560680171.db2.gz FRWWDDQNOCRDJV-UHFFFAOYSA-N 0 0 404.312 6.886 40 0 HKABRN Cc1ccc(Cl)cc1NCc1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000409114979 560680149 /nfs/dbraw/zinc/68/01/49/560680149.db2.gz GBMSPKCNPWXVSE-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc3ccccc32)cc1 ZINC000409114989 558940171 /nfs/dbraw/zinc/94/01/71/558940171.db2.gz JJHHSENYUDNNRX-UHFFFAOYSA-N 0 0 422.355 7.646 40 0 HKABRN CCOc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000409115060 558940506 /nfs/dbraw/zinc/94/05/06/558940506.db2.gz IEQMIEIKULATDB-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN CCCN1c2ccccc2/C(=C/c2ccc(OCC)c3cccc(OCC)c23)C1=O ZINC000409115061 558940520 /nfs/dbraw/zinc/94/05/20/558940520.db2.gz GTUBRVMQNTUOAX-FXBPSFAMSA-N 0 0 401.506 5.934 40 0 HKABRN COc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 ZINC000409115071 558940512 /nfs/dbraw/zinc/94/05/12/558940512.db2.gz GVFSEFQITLRNCU-UHFFFAOYSA-N 0 0 416.290 5.788 40 0 HKABRN CCc1ccc(NCc2c(OCc3cccc(Cl)c3)ccc3ccccc32)cc1 ZINC000409115086 558940510 /nfs/dbraw/zinc/94/05/10/558940510.db2.gz JXSJEVXDYLMRFG-UHFFFAOYSA-N 0 0 401.937 7.247 40 0 HKABRN CCOc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1ccccc1F ZINC000409115133 558940330 /nfs/dbraw/zinc/94/03/30/558940330.db2.gz KJRRVOJXHKQOAW-UHFFFAOYSA-N 0 0 413.920 6.686 40 0 HKABRN CCc1ccccc1NCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000409115137 558940238 /nfs/dbraw/zinc/94/02/38/558940238.db2.gz IOXVABMBMVMUIZ-UHFFFAOYSA-N 0 0 416.348 6.756 40 0 HKABRN O=C(Nc1cccnc1)c1c2c(sc1NC(=O)c1ccc(Cl)cc1)CCCC2 ZINC000409115160 560680192 /nfs/dbraw/zinc/68/01/92/560680192.db2.gz IUXKBJSKBZZOPX-UHFFFAOYSA-N 0 0 411.914 5.180 40 0 HKABRN Cc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)c1 ZINC000409115197 558940761 /nfs/dbraw/zinc/94/07/61/558940761.db2.gz JIVZOXJRAIUYSO-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN Cc1c(Cl)cccc1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000409115219 558940744 /nfs/dbraw/zinc/94/07/44/558940744.db2.gz JMKXGDCHSPNGBN-UHFFFAOYSA-N 0 0 422.355 7.646 40 0 HKABRN CCOc1ccc(NCc2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 ZINC000409115232 560680213 /nfs/dbraw/zinc/68/02/13/560680213.db2.gz KUMFYNITTMIWQJ-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN CCc1ccccc1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000409115237 560680147 /nfs/dbraw/zinc/68/01/47/560680147.db2.gz HSYJNSKHLZJLAH-UHFFFAOYSA-N 0 0 401.937 7.247 40 0 HKABRN O=C(Nc1cccnc1)c1c2c(sc1NC(=O)c1cccc(Cl)c1)CCCC2 ZINC000409115356 560680234 /nfs/dbraw/zinc/68/02/34/560680234.db2.gz RKBMDNZBVPFDIK-UHFFFAOYSA-N 0 0 411.914 5.180 40 0 HKABRN Clc1ccc(CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(Cl)c1 ZINC000409115360 560680195 /nfs/dbraw/zinc/68/01/95/560680195.db2.gz IUPUXNLFHWYIIT-UHFFFAOYSA-N 0 0 423.368 7.410 40 0 HKABRN CCc1sc2nc(SCc3cccc(F)c3)n(-c3ccc(C)cc3)c(=O)c2c1C ZINC000409115381 560680188 /nfs/dbraw/zinc/68/01/88/560680188.db2.gz IXIHYEJIKBACMV-UHFFFAOYSA-N 0 0 424.566 6.058 40 0 HKABRN CCc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)cc1 ZINC000409115382 558941685 /nfs/dbraw/zinc/94/16/85/558941685.db2.gz MGHVNQMLSNGHLB-UHFFFAOYSA-N 0 0 420.767 7.400 40 0 HKABRN CCc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)cc1 ZINC000409115383 558941681 /nfs/dbraw/zinc/94/16/81/558941681.db2.gz IYQAIAZEXIHROX-UHFFFAOYSA-N 0 0 404.312 6.886 40 0 HKABRN Cc1ccc(S(=O)(=O)Oc2ccccc2CNc2ccc(C)c(Cl)c2)cc1 ZINC000409115397 558941677 /nfs/dbraw/zinc/94/16/77/558941677.db2.gz MJEKKLKUUTYLKX-UHFFFAOYSA-N 0 0 401.915 5.337 40 0 HKABRN Cc1cccc(NCc2cc(Cl)ccc2OCc2ccc(Br)cc2)c1 ZINC000409115398 558941751 /nfs/dbraw/zinc/94/17/51/558941751.db2.gz JCGCNWLHFGUJIH-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Cc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000409115428 560680226 /nfs/dbraw/zinc/68/02/26/560680226.db2.gz JBHLAZBAQXPMFA-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN COc1cc(CNc2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409115430 560680198 /nfs/dbraw/zinc/68/01/98/560680198.db2.gz RPHTVOYZWPBMRD-UHFFFAOYSA-N 0 0 411.523 5.000 40 0 HKABRN Cc1ccc(Cl)cc1NCc1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000409115456 560680223 /nfs/dbraw/zinc/68/02/23/560680223.db2.gz MJYLINIMVBHRTL-UHFFFAOYSA-N 0 0 424.730 7.285 40 0 HKABRN Cc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)c(C)c1 ZINC000409115461 558941648 /nfs/dbraw/zinc/94/16/48/558941648.db2.gz RRTYYDICHDGCDW-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN Cc1cccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)c1C ZINC000409115464 560680210 /nfs/dbraw/zinc/68/02/10/560680210.db2.gz RRXCWRTXMZHXJN-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN CCc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000409115535 558941273 /nfs/dbraw/zinc/94/12/73/558941273.db2.gz JJVQPVYVSYEEAN-UHFFFAOYSA-N 0 0 420.767 7.400 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2C)ccc1OCc1ccccc1Cl ZINC000409115538 560680196 /nfs/dbraw/zinc/68/01/96/560680196.db2.gz JJZJCUJSEBOWSF-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)c2ccccc21 ZINC000409115550 558941292 /nfs/dbraw/zinc/94/12/92/558941292.db2.gz MSCKSJCRZWLDHV-ZHZULCJRSA-N 0 0 403.453 5.320 40 0 HKABRN Cc1ccc(Cl)cc1NCc1c(OCc2cccc(F)c2)ccc2ccccc21 ZINC000409115578 560680230 /nfs/dbraw/zinc/68/02/30/560680230.db2.gz MUWMZONEMLTGBP-UHFFFAOYSA-N 0 0 405.900 7.132 40 0 HKABRN Cc1cccc(NCc2c(OCc3cccc(Cl)c3)ccc3ccccc32)c1C ZINC000409115582 558941304 /nfs/dbraw/zinc/94/13/04/558941304.db2.gz SEZLYXPHMIXIBG-UHFFFAOYSA-N 0 0 401.937 7.301 40 0 HKABRN Cc1ccc(C)c(NCc2cc(Cl)ccc2OCc2cccc3ccccc32)c1 ZINC000409115596 560680207 /nfs/dbraw/zinc/68/02/07/560680207.db2.gz KAZAWHCXZPTTMM-UHFFFAOYSA-N 0 0 401.937 7.301 40 0 HKABRN COc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1 ZINC000409115601 558941274 /nfs/dbraw/zinc/94/12/74/558941274.db2.gz MXUJQXZAFRUJOT-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN Cc1cccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)c1 ZINC000409115629 560680218 /nfs/dbraw/zinc/68/02/18/560680218.db2.gz SNLUUMWEYDJBHL-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN Cc1ccc(COc2c(Cl)cc(Cl)cc2CNc2ccc(C)cc2C)cc1 ZINC000409115640 558941272 /nfs/dbraw/zinc/94/12/72/558941272.db2.gz SOUOOYBNQCZRLL-UHFFFAOYSA-N 0 0 400.349 7.110 40 0 HKABRN Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)c1C ZINC000409115641 558941289 /nfs/dbraw/zinc/94/12/89/558941289.db2.gz KGQBDPJNDRUMRA-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN CCc1ccccc1NCc1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1 ZINC000409115667 558941290 /nfs/dbraw/zinc/94/12/90/558941290.db2.gz KIBHJGRFCCPDHH-UHFFFAOYSA-N 0 0 416.348 6.756 40 0 HKABRN Cc1ccc(NCc2cc(Br)ccc2OCc2ccccc2F)c(C)c1 ZINC000409115674 558941540 /nfs/dbraw/zinc/94/15/40/558941540.db2.gz STBPBLXUASIHJY-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN CCc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409115726 558941835 /nfs/dbraw/zinc/94/18/35/558941835.db2.gz JZIPFYSPDOEHFU-UHFFFAOYSA-N 0 0 400.349 7.055 40 0 HKABRN COc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409115728 558941977 /nfs/dbraw/zinc/94/19/77/558941977.db2.gz KAJNZOZJKBQISZ-UHFFFAOYSA-N 0 0 416.348 6.810 40 0 HKABRN CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)c2ccccc21 ZINC000409115733 558941881 /nfs/dbraw/zinc/94/18/81/558941881.db2.gz KCBUTTUNNWYGRP-IWIPYMOSSA-N 0 0 401.481 5.948 40 0 HKABRN CCOc1ccc(NCc2c(OCc3ccccc3F)ccc3ccccc32)cc1 ZINC000409115816 560680282 /nfs/dbraw/zinc/68/02/82/560680282.db2.gz KWLWORUNZYCYHZ-UHFFFAOYSA-N 0 0 401.481 6.569 40 0 HKABRN COc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000409115818 558941744 /nfs/dbraw/zinc/94/17/44/558941744.db2.gz HPGOLGKYUNUOMS-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN CCOC(=O)c1c(NC(=O)c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000409115829 560680296 /nfs/dbraw/zinc/68/02/96/560680296.db2.gz LAXQJZBFERLWKF-UHFFFAOYSA-N 0 0 411.457 6.043 40 0 HKABRN Cc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1C ZINC000409115835 558941732 /nfs/dbraw/zinc/94/17/32/558941732.db2.gz LCNLCMIFMCRSNP-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN CCc1ccc(NCc2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000409115836 560680325 /nfs/dbraw/zinc/68/03/25/560680325.db2.gz HQPSTHXDCKEZMU-UHFFFAOYSA-N 0 0 414.318 6.342 40 0 HKABRN CCOc1cc(CNc2ccccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409115861 560680321 /nfs/dbraw/zinc/68/03/21/560680321.db2.gz HVSKSJLCXXHULC-UHFFFAOYSA-N 0 0 411.523 5.082 40 0 HKABRN Cc1ccc(Cl)cc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000409115869 558941728 /nfs/dbraw/zinc/94/17/28/558941728.db2.gz HYKLEDBXLCKXIJ-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CCc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000409115884 558941716 /nfs/dbraw/zinc/94/17/16/558941716.db2.gz IBYVEFCENSOCGS-UHFFFAOYSA-N 0 0 420.767 7.400 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)cc1C ZINC000409115888 558941737 /nfs/dbraw/zinc/94/17/37/558941737.db2.gz IDDOZQGAXVEZDB-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN Cc1ccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c(C)c1 ZINC000409115949 558941989 /nfs/dbraw/zinc/94/19/89/558941989.db2.gz JYGOFSXPYFQIES-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN CCCc1sc2nc(SCc3ccccc3F)n(-c3ccccc3)c(=O)c2c1C ZINC000409116024 558941959 /nfs/dbraw/zinc/94/19/59/558941959.db2.gz LCLATHQDZWEZFQ-UHFFFAOYSA-N 0 0 424.566 6.140 40 0 HKABRN Cc1c(Cl)cccc1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409116045 560680288 /nfs/dbraw/zinc/68/02/88/560680288.db2.gz LISZHAVIROTYGP-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Clc1ccc(COc2cccc(CNc3ccc(Oc4ccccc4)cc3)c2)cc1 ZINC000409116071 558941964 /nfs/dbraw/zinc/94/19/64/558941964.db2.gz KMPAXLXVIVACNG-UHFFFAOYSA-N 0 0 415.920 7.323 40 0 HKABRN COc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409116080 560680330 /nfs/dbraw/zinc/68/03/30/560680330.db2.gz LNVQACDUWNLKKN-UHFFFAOYSA-N 0 0 416.348 6.810 40 0 HKABRN CCOc1ccc(NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 ZINC000409116085 560680309 /nfs/dbraw/zinc/68/03/09/560680309.db2.gz TWNOZOAFJYFDKZ-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN Cc1cccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)c1 ZINC000409116104 560680334 /nfs/dbraw/zinc/68/03/34/560680334.db2.gz OHRJECAJMMXFMA-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CCCc1sc2nc(Sc3ccccn3)n(-c3ccc(OC)cc3)c(=O)c2c1C ZINC000409116111 558942033 /nfs/dbraw/zinc/94/20/33/558942033.db2.gz KREVEBXIZSQPIX-UHFFFAOYSA-N 0 0 423.563 5.263 40 0 HKABRN Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)c1 ZINC000409116126 560680302 /nfs/dbraw/zinc/68/03/02/560680302.db2.gz KTNVPUAHDUMYRK-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CCCOc1c(Br)cc(CNc2ccc(OCC)cc2)cc1OCC ZINC000409116132 560680332 /nfs/dbraw/zinc/68/03/32/560680332.db2.gz LTKBAGCHSSESOK-UHFFFAOYSA-N 0 0 408.336 5.647 40 0 HKABRN CCOc1cc(CNc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1 ZINC000409116153 558942154 /nfs/dbraw/zinc/94/21/54/558942154.db2.gz LVSIUGLMPBDKDZ-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN COc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409116158 560680319 /nfs/dbraw/zinc/68/03/19/560680319.db2.gz KYXUOGQGXZLLJF-UHFFFAOYSA-N 0 0 417.936 7.001 40 0 HKABRN COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccccc1Cl ZINC000409116172 558942138 /nfs/dbraw/zinc/94/21/38/558942138.db2.gz LYOIBFRCWMIBJE-XKZIYDEJSA-N 0 0 423.921 6.013 40 0 HKABRN Cc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000409116185 560680315 /nfs/dbraw/zinc/68/03/15/560680315.db2.gz LELCDPAGVSRYKA-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN COc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccccc1 ZINC000409116199 558942040 /nfs/dbraw/zinc/94/20/40/558942040.db2.gz JRDURDMQRPXMJO-UHFFFAOYSA-N 0 0 412.327 5.957 40 0 HKABRN CCCN1C(=O)/C(=C\c2cc(OCC)c(OC)cc2Br)c2ccccc21 ZINC000409116203 558942037 /nfs/dbraw/zinc/94/20/37/558942037.db2.gz MYVBPPMCMSPYRC-WJDWOHSUSA-N 0 0 416.315 5.154 40 0 HKABRN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC000409116217 558941916 /nfs/dbraw/zinc/94/19/16/558941916.db2.gz UKVNLGJZLWZNGX-NTCAYCPXSA-N 0 0 402.494 5.159 40 0 HKABRN Cc1ccc(COc2ccc(Br)cc2CNc2cccc(C)c2C)cc1 ZINC000409116219 560680327 /nfs/dbraw/zinc/68/03/27/560680327.db2.gz OUBCDLWDTWEVCR-UHFFFAOYSA-N 0 0 410.355 6.565 40 0 HKABRN CCOC(=O)c1sc(NC(=O)c2ccccc2)c(C(=O)OCC)c1-c1ccccc1 ZINC000409116229 558941953 /nfs/dbraw/zinc/94/19/53/558941953.db2.gz IMPSEGXZRNVCBM-UHFFFAOYSA-N 0 0 423.490 5.021 40 0 HKABRN COc1cc(CNc2ccccc2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409116234 560680312 /nfs/dbraw/zinc/68/03/12/560680312.db2.gz JSVVLIUPRNXTRR-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN Cc1ccc(C)c(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1 ZINC000409116265 558941928 /nfs/dbraw/zinc/94/19/28/558941928.db2.gz UPMIGJIBIQDTRZ-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1F ZINC000409116291 558941845 /nfs/dbraw/zinc/94/18/45/558941845.db2.gz IRSGGPIJNSKATM-UHFFFAOYSA-N 0 0 420.311 6.641 40 0 HKABRN CCc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409116338 558942758 /nfs/dbraw/zinc/94/27/58/558942758.db2.gz MGIDHXWDGQIFEE-UHFFFAOYSA-N 0 0 419.981 6.485 40 0 HKABRN CCOc1cc(CNc2ccccc2CC)cc(Cl)c1OCc1ccccc1F ZINC000409116343 558942780 /nfs/dbraw/zinc/94/27/80/558942780.db2.gz PESUDQRRHPTDJT-UHFFFAOYSA-N 0 0 413.920 6.631 40 0 HKABRN CCOc1cc(CNc2ccccc2C)cc(I)c1OCC ZINC000409116378 560680430 /nfs/dbraw/zinc/68/04/30/560680430.db2.gz IWQKYHBHQHUZJY-UHFFFAOYSA-N 0 0 411.283 5.009 40 0 HKABRN CCc1sc2nc(SCc3cccc(C)c3)n(-c3ccc(C)cc3)c(=O)c2c1C ZINC000409116383 558942120 /nfs/dbraw/zinc/94/21/20/558942120.db2.gz MHVOKMOTENFMAF-UHFFFAOYSA-N 0 0 420.603 6.227 40 0 HKABRN COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1cccc2ccccc21 ZINC000409116393 558942015 /nfs/dbraw/zinc/94/20/15/558942015.db2.gz NPSKSZFKVKLFGB-UHFFFAOYSA-N 0 0 417.936 7.001 40 0 HKABRN CCOc1ccc(NCc2ccccc2OCc2ccc(Br)cc2)cc1 ZINC000409116406 560680454 /nfs/dbraw/zinc/68/04/54/560680454.db2.gz IXWWLINYWKSFPK-UHFFFAOYSA-N 0 0 412.327 6.039 40 0 HKABRN CCOc1cc(CNc2ccccc2CC)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409116417 558942648 /nfs/dbraw/zinc/94/26/48/558942648.db2.gz NQRPHIGGNFTFFX-UHFFFAOYSA-N 0 0 409.957 6.801 40 0 HKABRN CCOC(=O)c1c(NC(=O)c2ccco2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000409116449 558943205 /nfs/dbraw/zinc/94/32/05/558943205.db2.gz NURQZIIBLZWQMG-UHFFFAOYSA-N 0 0 401.418 5.636 40 0 HKABRN Cc1cccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1C ZINC000409116465 560680467 /nfs/dbraw/zinc/68/04/67/560680467.db2.gz MNFLVZFFZUSGIP-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)c1C ZINC000409116487 558943154 /nfs/dbraw/zinc/94/31/54/558943154.db2.gz PLBRNAMKQMQLQM-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN COc1cc(CNc2cccc(C)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409116505 558943087 /nfs/dbraw/zinc/94/30/87/558943087.db2.gz OACQVBCCVPNVKP-UHFFFAOYSA-N 0 0 411.523 5.000 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 ZINC000409116551 558943187 /nfs/dbraw/zinc/94/31/87/558943187.db2.gz JIZKZJNDFGCMMJ-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN CCCc1sc2nc(SCc3ccc(C)cc3)n(-c3ccccc3)c(=O)c2c1C ZINC000409116556 558943147 /nfs/dbraw/zinc/94/31/47/558943147.db2.gz JKLHWRVCRJYLPH-UHFFFAOYSA-N 0 0 420.603 6.309 40 0 HKABRN Cc1cccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)c1 ZINC000409116587 558943294 /nfs/dbraw/zinc/94/32/94/558943294.db2.gz VOUQSMUJENBTDW-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN CCc1ccc(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 ZINC000409116600 558943405 /nfs/dbraw/zinc/94/34/05/558943405.db2.gz OEOIVALZPODZJX-UHFFFAOYSA-N 0 0 404.312 6.886 40 0 HKABRN CC(C)CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c2ccccc21 ZINC000409116604 560678987 /nfs/dbraw/zinc/67/89/87/560678987.db2.gz MKFRBTRXZNGHBI-PDGQHHTCSA-N 0 0 412.316 6.797 40 0 HKABRN CCOc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409116607 560678989 /nfs/dbraw/zinc/67/89/89/560678989.db2.gz PTRGCTCPUAJSLA-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN Cc1ccc(C)c(NCc2ccc(OCc3ccccc3F)c(Br)c2)c1 ZINC000409116615 558943255 /nfs/dbraw/zinc/94/32/55/558943255.db2.gz JRRSDIRWTKRZJE-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN Cc1cccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1 ZINC000409116699 560678983 /nfs/dbraw/zinc/67/89/83/560678983.db2.gz KACFOEMJXQIBJJ-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN CCOC(=O)c1c(NC(=O)c2cccnc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000409116744 560678949 /nfs/dbraw/zinc/67/89/49/560678949.db2.gz LOWPKMKTYKJRRQ-UHFFFAOYSA-N 0 0 412.445 5.438 40 0 HKABRN Cc1ccc(NCc2cccc(OCc3ccc(Br)cc3)c2)cc1Cl ZINC000409116762 558943589 /nfs/dbraw/zinc/94/35/89/558943589.db2.gz LQPYQOQOKJJOOD-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN COc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1cccc(Cl)c1 ZINC000409116764 560678946 /nfs/dbraw/zinc/67/89/46/560678946.db2.gz MFKLFTMRYCNKMW-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN Cc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2F)c1 ZINC000409116774 560678968 /nfs/dbraw/zinc/67/89/68/560678968.db2.gz LRGSKJFLCMBSJU-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN Cc1c(Cl)cccc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000409116801 558943576 /nfs/dbraw/zinc/94/35/76/558943576.db2.gz MPOQVQDPOPIPLD-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN COc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000409116839 558943581 /nfs/dbraw/zinc/94/35/81/558943581.db2.gz LYTULGGSNYTTSB-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN CCOc1cc(CNc2cc(C)ccc2C)ccc1OCc1cccc2ccccc21 ZINC000409116864 558943765 /nfs/dbraw/zinc/94/37/65/558943765.db2.gz MGESDACZCVFNLH-UHFFFAOYSA-N 0 0 411.545 7.046 40 0 HKABRN Cc1ccc(C)c(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1 ZINC000409116901 558943830 /nfs/dbraw/zinc/94/38/30/558943830.db2.gz MOXKRDGLCGUUDE-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN CCOc1ccc(NCc2c(OCc3ccc(F)cc3)ccc3ccccc32)cc1 ZINC000409116908 560678965 /nfs/dbraw/zinc/67/89/65/560678965.db2.gz MRIDIPOQSXUWOM-UHFFFAOYSA-N 0 0 401.481 6.569 40 0 HKABRN COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1cccc2ccccc21 ZINC000409116911 560678977 /nfs/dbraw/zinc/67/89/77/560678977.db2.gz MSHIPDCMDMUFPL-HAHDFKILSA-N 0 0 407.469 5.920 40 0 HKABRN CCCOc1c(Br)cc(Br)cc1CNc1ccccc1C ZINC000409116916 558943752 /nfs/dbraw/zinc/94/37/52/558943752.db2.gz MKUHBGUSOIJJDI-UHFFFAOYSA-N 0 0 413.153 5.921 40 0 HKABRN Cc1ccc(Cl)cc1NCc1ccccc1OCc1ccc(Br)cc1 ZINC000409116968 560678999 /nfs/dbraw/zinc/67/89/99/560678999.db2.gz VVWUMIIOIICNOG-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN COc1cc(Br)c(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc1OC ZINC000409116993 560678971 /nfs/dbraw/zinc/67/89/71/560678971.db2.gz NBMOEFRGJPZCEP-SXGWCWSVSA-N 0 0 416.315 5.010 40 0 HKABRN Cc1ccc(Cl)cc1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000409117028 560678955 /nfs/dbraw/zinc/67/89/55/560678955.db2.gz KKUAIXSBRFNPDX-UHFFFAOYSA-N 0 0 422.355 7.646 40 0 HKABRN CCc1ccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000409117030 560678985 /nfs/dbraw/zinc/67/89/85/560678985.db2.gz NGPFPHZEQDTHRC-UHFFFAOYSA-N 0 0 401.937 7.247 40 0 HKABRN Cc1ccc(Cl)cc1NCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000409117037 558944412 /nfs/dbraw/zinc/94/44/12/558944412.db2.gz NGTDYWBZHQGZDJ-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1Cl ZINC000409117082 558944424 /nfs/dbraw/zinc/94/44/24/558944424.db2.gz WLQHKJBUTAGCSA-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN O=C1Nc2ccccc2S/C1=C\c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000409117129 560679104 /nfs/dbraw/zinc/67/91/04/560679104.db2.gz NFQUQAJMJFRSMU-MTJSOVHGSA-N 0 0 411.885 6.143 40 0 HKABRN CCOc1cc(CNc2cccc(C)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409117130 558944649 /nfs/dbraw/zinc/94/46/49/558944649.db2.gz KTJCDAJIMLIGFJ-UHFFFAOYSA-N 0 0 411.523 5.082 40 0 HKABRN COc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc(F)c1 ZINC000409117141 558944604 /nfs/dbraw/zinc/94/46/04/558944604.db2.gz KVFOISBBTFYXBJ-UHFFFAOYSA-N 0 0 420.311 6.641 40 0 HKABRN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)c2ccccc21 ZINC000409117180 558944625 /nfs/dbraw/zinc/94/46/25/558944625.db2.gz QMLVNPFKTYKQIW-UYRXBGFRSA-N 0 0 407.872 5.965 40 0 HKABRN COc1cc(CNc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409117183 560679052 /nfs/dbraw/zinc/67/90/52/560679052.db2.gz WUOVQIRYKSXCFL-UHFFFAOYSA-N 0 0 416.348 6.810 40 0 HKABRN Cc1ccc(Cl)cc1NCc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409117194 560679064 /nfs/dbraw/zinc/67/90/64/560679064.db2.gz QNPUCWAXXITQEI-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN COc1cc(CNc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409117229 558944584 /nfs/dbraw/zinc/94/45/84/558944584.db2.gz NTKASYPFYHXDRX-UHFFFAOYSA-N 0 0 416.348 6.810 40 0 HKABRN Clc1ccccc1COc1ccc(CNc2ccccc2)cc1Br ZINC000409117244 558944669 /nfs/dbraw/zinc/94/46/69/558944669.db2.gz QQPHVGCCIKBCJM-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)cc1C ZINC000409117276 558945033 /nfs/dbraw/zinc/94/50/33/558945033.db2.gz OAPQCVSMMNDXOE-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN CCc1ccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)cc1 ZINC000409117305 558944663 /nfs/dbraw/zinc/94/46/63/558944663.db2.gz XIVRWDJLQZSREK-UHFFFAOYSA-N 0 0 414.318 6.342 40 0 HKABRN Cc1c(Cl)cccc1NCc1ccc(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409117317 560679047 /nfs/dbraw/zinc/67/90/47/560679047.db2.gz ODLGLKVIURAISK-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1cc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)n2CC(C)C)c(C)c1 ZINC000409117363 560679080 /nfs/dbraw/zinc/67/90/80/560679080.db2.gz OHSHIOXUFXMDPB-UHFFFAOYSA-N 0 0 422.598 5.181 40 0 HKABRN CCCc1sc2nc(Sc3ccccn3)n(-c3ccc(CC)cc3)c(=O)c2c1C ZINC000409117410 560679044 /nfs/dbraw/zinc/67/90/44/560679044.db2.gz XVBQYAOCDKQQCI-UHFFFAOYSA-N 0 0 421.591 5.817 40 0 HKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2F)cc1Cl ZINC000409117458 560679050 /nfs/dbraw/zinc/67/90/50/560679050.db2.gz REHQWTSREJMFSY-UHFFFAOYSA-N 0 0 424.730 7.285 40 0 HKABRN CCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)c2ccccc21 ZINC000409117477 558945095 /nfs/dbraw/zinc/94/50/95/558945095.db2.gz NWFUIDWWMOZMRD-MOSHPQCFSA-N 0 0 407.872 5.965 40 0 HKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)cc1C ZINC000409117505 558945115 /nfs/dbraw/zinc/94/51/15/558945115.db2.gz OYSQMFCFKPCHMN-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN CCOc1ccc(NCc2ccc(OCc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000409117534 558945090 /nfs/dbraw/zinc/94/50/90/558945090.db2.gz OIFCGKRZGTXCIE-UHFFFAOYSA-N 0 0 417.936 7.083 40 0 HKABRN CCCOc1c(I)cc(CNc2cccc(C)c2)cc1OC ZINC000409117536 558945104 /nfs/dbraw/zinc/94/51/04/558945104.db2.gz NMPBDUBWWKQLKI-UHFFFAOYSA-N 0 0 411.283 5.009 40 0 HKABRN CCc1ccccc1NCc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000409117549 558945093 /nfs/dbraw/zinc/94/50/93/558945093.db2.gz OJZFFZCCBVILSL-UHFFFAOYSA-N 0 0 420.767 7.400 40 0 HKABRN Cc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c(C)c1 ZINC000409117575 560679102 /nfs/dbraw/zinc/67/91/02/560679102.db2.gz NVVJFDDXZVGKFI-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN COc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409117581 558945102 /nfs/dbraw/zinc/94/51/02/558945102.db2.gz OABYMOUFZDOUCQ-UHFFFAOYSA-N 0 0 416.348 6.810 40 0 HKABRN Cc1ccc(Cl)cc1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000409117603 560679060 /nfs/dbraw/zinc/67/90/60/560679060.db2.gz PJZOTNZOALWRRO-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409117611 558945126 /nfs/dbraw/zinc/94/51/26/558945126.db2.gz PLHWKHYZLMDRLN-UHFFFAOYSA-N 0 0 409.957 6.855 40 0 HKABRN Clc1ccccc1COc1ccccc1CNc1ccc(Oc2ccccc2)cc1 ZINC000409117617 560679071 /nfs/dbraw/zinc/67/90/71/560679071.db2.gz PMKHLPTYSPFDSV-UHFFFAOYSA-N 0 0 415.920 7.323 40 0 HKABRN Cc1c(Cl)cccc1NCc1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000409117619 558945339 /nfs/dbraw/zinc/94/53/39/558945339.db2.gz PMVMVGGVTPHEKD-UHFFFAOYSA-N 0 0 424.730 7.285 40 0 HKABRN CCOc1ccc(NCc2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000409117666 558945106 /nfs/dbraw/zinc/94/51/06/558945106.db2.gz OMGAFIDZBKGODL-UHFFFAOYSA-N 0 0 412.327 6.039 40 0 HKABRN CC(C)CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2F)c2ccccc21 ZINC000409117697 558945336 /nfs/dbraw/zinc/94/53/36/558945336.db2.gz OOHJPUCSCMCTJK-JCMHNJIXSA-N 0 0 401.481 5.948 40 0 HKABRN COC(=O)c1c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)sc2c1CCCC2 ZINC000409117706 560679100 /nfs/dbraw/zinc/67/91/00/560679100.db2.gz OOOCNHPKFPVEGO-LLVKDONJSA-N 0 0 409.960 5.186 40 0 HKABRN COC(=O)c1c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)sc2c1CCCC2 ZINC000409117709 558945351 /nfs/dbraw/zinc/94/53/51/558945351.db2.gz OOOCNHPKFPVEGO-NSHDSACASA-N 0 0 409.960 5.186 40 0 HKABRN Cc1cccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1C ZINC000409117717 558945303 /nfs/dbraw/zinc/94/53/03/558945303.db2.gz OQZAWMDAAZCASS-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN Cc1ccc(NC(=O)c2c3c(sc2NC(=O)c2cccnc2)CCCC3)cc1C ZINC000409117755 558945398 /nfs/dbraw/zinc/94/53/98/558945398.db2.gz OYAGKVNOCHGFOS-UHFFFAOYSA-N 0 0 405.523 5.143 40 0 HKABRN CCCN1C(=O)/C(=C\c2cc(OC)c(OCC)cc2Br)c2ccccc21 ZINC000409117761 558945360 /nfs/dbraw/zinc/94/53/60/558945360.db2.gz PAGMPOFYKMBJLM-WJDWOHSUSA-N 0 0 416.315 5.154 40 0 HKABRN Brc1cc(CNc2ccccc2)ccc1OCc1cccc2ccccc21 ZINC000409117772 558945354 /nfs/dbraw/zinc/94/53/54/558945354.db2.gz PCQZDTSMFXELKW-UHFFFAOYSA-N 0 0 418.334 6.793 40 0 HKABRN CCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1cccc(Cl)c1 ZINC000409117786 560679086 /nfs/dbraw/zinc/67/90/86/560679086.db2.gz PEWYPIBHOYGDSK-MOSHPQCFSA-N 0 0 405.881 5.810 40 0 HKABRN CCOc1ccc(Br)cc1/C=C1/c2ccccc2N(CC(C)C)C1=O ZINC000409117791 560679155 /nfs/dbraw/zinc/67/91/55/560679155.db2.gz PFUUEIYIOMAFTG-PDGQHHTCSA-N 0 0 400.316 5.391 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)cc1 ZINC000409117823 560679182 /nfs/dbraw/zinc/67/91/82/560679182.db2.gz OJCBNFRWLHGSRX-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN Cc1ccccc1NCc1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000409117839 560679161 /nfs/dbraw/zinc/67/91/61/560679161.db2.gz OQEZRFXMTQOJLM-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)c(C)c1 ZINC000409117858 560679153 /nfs/dbraw/zinc/67/91/53/560679153.db2.gz PBRMYFRBVYPPSJ-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN CCc1ccccc1NCc1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000409117870 560679177 /nfs/dbraw/zinc/67/91/77/560679177.db2.gz RHUWXGHEBYGHQP-UHFFFAOYSA-N 0 0 404.312 6.886 40 0 HKABRN CCc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000409117871 558945534 /nfs/dbraw/zinc/94/55/34/558945534.db2.gz PFEDGTHOANEGRE-UHFFFAOYSA-N 0 0 420.767 7.400 40 0 HKABRN Cc1ccc(COc2c(Cl)cc(Cl)cc2CNc2cccc(Cl)c2C)cc1 ZINC000409117887 558945629 /nfs/dbraw/zinc/94/56/29/558945629.db2.gz PHTOUIDSOCCBFK-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN COc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)cc1 ZINC000409117889 560679176 /nfs/dbraw/zinc/67/91/76/560679176.db2.gz XZHVTBZICWEPPE-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN CCOc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc(Br)c1O ZINC000409117904 560679179 /nfs/dbraw/zinc/67/91/79/560679179.db2.gz MBUICKSNLRKDNK-SXGWCWSVSA-N 0 0 416.315 5.097 40 0 HKABRN CC(C)CN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)cc2)c2ccccc21 ZINC000409117911 560679146 /nfs/dbraw/zinc/67/91/46/560679146.db2.gz PMFGUTNVJPFVSZ-IWIPYMOSSA-N 0 0 401.481 5.948 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1C ZINC000409117932 560679149 /nfs/dbraw/zinc/67/91/49/560679149.db2.gz RQWJHNGJPUSWJR-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN CCc1ccccc1NCc1cc(Br)ccc1OCc1ccccc1F ZINC000409118005 560679150 /nfs/dbraw/zinc/67/91/50/560679150.db2.gz PSESUBYMBFOUFA-UHFFFAOYSA-N 0 0 414.318 6.342 40 0 HKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)c(C)c1 ZINC000409118022 558945634 /nfs/dbraw/zinc/94/56/34/558945634.db2.gz PTWPUXXYPOLETR-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)c2ccccc21 ZINC000409118023 560679141 /nfs/dbraw/zinc/67/91/41/560679141.db2.gz ORHWWHKANIJMBZ-HAHDFKILSA-N 0 0 417.936 6.462 40 0 HKABRN CCCOc1c(Br)cc(CNc2ccccc2C)cc1Br ZINC000409118050 560679172 /nfs/dbraw/zinc/67/91/72/560679172.db2.gz SDJZPUGLNPIKNL-UHFFFAOYSA-N 0 0 413.153 5.921 40 0 HKABRN CCOc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000409118099 560679148 /nfs/dbraw/zinc/67/91/48/560679148.db2.gz OUOGYZKZSNXIHO-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN Cc1ccc(C)c(NCc2cc(Br)ccc2OCc2ccccc2F)c1 ZINC000409118172 560679244 /nfs/dbraw/zinc/67/92/44/560679244.db2.gz ZDAZKKBVIDEKNE-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)c1C ZINC000409118220 558947007 /nfs/dbraw/zinc/94/70/07/558947007.db2.gz NMBGCGPVNRJGLY-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN COc1cc(CNc2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409118239 558947042 /nfs/dbraw/zinc/94/70/42/558947042.db2.gz SYFZPGXSGMGNPA-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN CCOc1cc(OCC)c(/C=C2/c3ccccc3N(CC)C2=O)cc1Br ZINC000409118263 560679242 /nfs/dbraw/zinc/67/92/42/560679242.db2.gz OQXCGSAKTPPHFI-WJDWOHSUSA-N 0 0 416.315 5.154 40 0 HKABRN CCOc1cc(/C=C2/c3ccccc3N(CC)C2=O)ccc1OCc1ccccc1F ZINC000409118304 560679250 /nfs/dbraw/zinc/67/92/50/560679250.db2.gz PRLCMDPXAKFYNC-QNGOZBTKSA-N 0 0 417.480 5.711 40 0 HKABRN CCOc1cc(CNc2cccc(Cl)c2C)ccc1OCc1cccc(Cl)c1 ZINC000409118321 560679238 /nfs/dbraw/zinc/67/92/38/560679238.db2.gz OZXRSFRGQRIBCK-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN CCOc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 ZINC000409118465 558947031 /nfs/dbraw/zinc/94/70/31/558947031.db2.gz QJYCMALPCGXHLX-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c2ccccc21 ZINC000409118557 560679214 /nfs/dbraw/zinc/67/92/14/560679214.db2.gz RFVVYWMKTWUXAM-MOSHPQCFSA-N 0 0 424.327 6.480 40 0 HKABRN Cc1cccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)c1C ZINC000409118576 558946777 /nfs/dbraw/zinc/94/67/77/558946777.db2.gz RKCRBJRZWJWHOE-UHFFFAOYSA-N 0 0 401.937 7.301 40 0 HKABRN CCN1c2ccccc2/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)C1=O ZINC000409118585 560679273 /nfs/dbraw/zinc/67/92/73/560679273.db2.gz OKSNZSFTAHBGHA-ITYLOYPMSA-N 0 0 405.497 6.326 40 0 HKABRN Cc1ccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)cc1 ZINC000409118587 560679231 /nfs/dbraw/zinc/67/92/31/560679231.db2.gz RNVHICUVBCSGOZ-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN CCc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1F ZINC000409118613 560679331 /nfs/dbraw/zinc/67/93/31/560679331.db2.gz OQNSAKXTAGTIEO-UHFFFAOYSA-N 0 0 404.312 6.886 40 0 HKABRN Cc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409118647 558947000 /nfs/dbraw/zinc/94/70/00/558947000.db2.gz OVZRMKAXSSZVAR-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409118727 560679353 /nfs/dbraw/zinc/67/93/53/560679353.db2.gz UEGLFLMIHLHJFJ-UHFFFAOYSA-N 0 0 416.348 6.810 40 0 HKABRN CCOc1ccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000409118775 560679372 /nfs/dbraw/zinc/67/93/72/560679372.db2.gz ODVFTKVOASOFAM-UHFFFAOYSA-N 0 0 415.892 6.078 40 0 HKABRN CCc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 ZINC000409118784 558947188 /nfs/dbraw/zinc/94/71/88/558947188.db2.gz OESJAGTVMBGQDY-UHFFFAOYSA-N 0 0 420.767 7.400 40 0 HKABRN CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1cccc(F)c1 ZINC000409118791 558947252 /nfs/dbraw/zinc/94/72/52/558947252.db2.gz QWRALQXZTXCLCP-UHFFFAOYSA-N 0 0 413.920 6.686 40 0 HKABRN CCOc1cc(CNc2ccc(CC)cc2)ccc1OCc1cccc2ccccc21 ZINC000409118803 558947265 /nfs/dbraw/zinc/94/72/65/558947265.db2.gz OJQIUMSWADYJOG-UHFFFAOYSA-N 0 0 411.545 6.992 40 0 HKABRN CCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1 ZINC000409118816 560679341 /nfs/dbraw/zinc/67/93/41/560679341.db2.gz RCKVJRLVUHHPPR-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN Cc1c(Cl)cccc1NCc1cc(Cl)ccc1OCc1cccc2ccccc21 ZINC000409118833 560679374 /nfs/dbraw/zinc/67/93/74/560679374.db2.gz UVPIIOMTDFXLFY-UHFFFAOYSA-N 0 0 422.355 7.646 40 0 HKABRN Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)c1 ZINC000409118854 558947313 /nfs/dbraw/zinc/94/73/13/558947313.db2.gz QLVRBUGGJDSQKC-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN COc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1ccccc1Cl ZINC000409118861 558947218 /nfs/dbraw/zinc/94/72/18/558947218.db2.gz RFRONYIOQHHXIU-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN Cc1ccc(COc2c(Cl)cc(Cl)cc2CNc2cc(C)ccc2C)cc1 ZINC000409118863 558947194 /nfs/dbraw/zinc/94/71/94/558947194.db2.gz UZHVZAPPPRNAPB-UHFFFAOYSA-N 0 0 400.349 7.110 40 0 HKABRN Cc1ccccc1NCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000409118925 558947012 /nfs/dbraw/zinc/94/70/12/558947012.db2.gz VFHIADAZNLHNPF-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Cc1c(Cl)cccc1NCc1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 ZINC000409119007 560679356 /nfs/dbraw/zinc/67/93/56/560679356.db2.gz RANZBRGQTFYAFZ-UHFFFAOYSA-N 0 0 424.730 7.285 40 0 HKABRN Cc1ccc(NCc2ccccc2OCc2ccc(Br)cc2)cc1Cl ZINC000409119010 560679367 /nfs/dbraw/zinc/67/93/67/560679367.db2.gz RRKDRCRYCNIMRC-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Clc1cc(CNc2ccccc2)ccc1OCc1ccc(Br)cc1 ZINC000409119027 558947175 /nfs/dbraw/zinc/94/71/75/558947175.db2.gz VNPMZQPJFOVJFE-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN CCOc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1cccc(F)c1 ZINC000409119033 560679386 /nfs/dbraw/zinc/67/93/86/560679386.db2.gz QJXNXZVSADFCBO-UHFFFAOYSA-N 0 0 413.920 6.686 40 0 HKABRN CCOc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1 ZINC000409119039 560679328 /nfs/dbraw/zinc/67/93/28/560679328.db2.gz RCPMRGXDCYZZGJ-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccccc21 ZINC000409119042 558947481 /nfs/dbraw/zinc/94/74/81/558947481.db2.gz VOVCZNFNYLEYBG-KQWNVCNZSA-N 0 0 403.909 6.216 40 0 HKABRN Cc1c(Cl)cccc1NCc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000409119047 560679378 /nfs/dbraw/zinc/67/93/78/560679378.db2.gz VOZYBBHHRYOLGP-UHFFFAOYSA-N 0 0 424.730 7.285 40 0 HKABRN CCCOc1c(I)cc(CNc2ccc(C)cc2)cc1OC ZINC000409119055 558947426 /nfs/dbraw/zinc/94/74/26/558947426.db2.gz VPNWQVXBDVIUGH-UHFFFAOYSA-N 0 0 411.283 5.009 40 0 HKABRN Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)c1C ZINC000409119097 558947532 /nfs/dbraw/zinc/94/75/32/558947532.db2.gz QNZPYYSDPYSAPW-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409119125 560679348 /nfs/dbraw/zinc/67/93/48/560679348.db2.gz QTTBRJNQBMHAEX-UHFFFAOYSA-N 0 0 409.957 6.855 40 0 HKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)cc1 ZINC000409119128 558947630 /nfs/dbraw/zinc/94/76/30/558947630.db2.gz QUSHUAFZBZFHFD-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN COc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1cccc2ccccc21 ZINC000409119145 560679369 /nfs/dbraw/zinc/67/93/69/560679369.db2.gz QYAJHPCJJFEKLB-UHFFFAOYSA-N 0 0 417.936 7.001 40 0 HKABRN COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccc(C)cc1 ZINC000409119147 560679336 /nfs/dbraw/zinc/67/93/36/560679336.db2.gz RNALVNKSCPDDLC-UCQKPKSFSA-N 0 0 403.503 5.668 40 0 HKABRN COc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409119197 560679349 /nfs/dbraw/zinc/67/93/49/560679349.db2.gz RKFKZHGJVRIIKR-UHFFFAOYSA-N 0 0 416.348 6.810 40 0 HKABRN Cc1ccc(COc2c(Cl)cc(CNc3cccc(Cl)c3C)cc2Cl)cc1 ZINC000409119201 560679358 /nfs/dbraw/zinc/67/93/58/560679358.db2.gz RYKCUGLUIPLYTG-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN Cc1ccc(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1C ZINC000409119208 558947463 /nfs/dbraw/zinc/94/74/63/558947463.db2.gz SAFNLMHUAIJPGZ-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN CCc1ccc(NCc2cc(Br)ccc2OCc2ccc(C)cc2)cc1 ZINC000409119262 560679351 /nfs/dbraw/zinc/67/93/51/560679351.db2.gz SDALXPDDRRYNAD-UHFFFAOYSA-N 0 0 410.355 6.511 40 0 HKABRN Cc1c(Cl)cccc1NCc1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000409119263 558947738 /nfs/dbraw/zinc/94/77/38/558947738.db2.gz SEFQHCGRMIWPOW-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CCc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 ZINC000409119297 558947990 /nfs/dbraw/zinc/94/79/90/558947990.db2.gz VYUOWKZGAWQWSG-UHFFFAOYSA-N 0 0 404.312 6.886 40 0 HKABRN COc1cc(CNc2ccc(C)c(C)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409119305 558947967 /nfs/dbraw/zinc/94/79/67/558947967.db2.gz SRFSZEOZTXDAQR-UHFFFAOYSA-N 0 0 411.523 5.000 40 0 HKABRN CCOc1cc(CNc2cccc(Cl)c2C)ccc1OCc1ccccc1Cl ZINC000409119334 560679325 /nfs/dbraw/zinc/67/93/25/560679325.db2.gz TUFNKGWRRAPFSF-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 ZINC000409119359 560679420 /nfs/dbraw/zinc/67/94/20/560679420.db2.gz SERLYMVEMGIFDC-QPJJXVBHSA-N 0 0 409.744 5.317 40 0 HKABRN Cc1c(Cl)cccc1NCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000409119428 560679414 /nfs/dbraw/zinc/67/94/14/560679414.db2.gz WOVICGYXPUZBSH-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CC(C)CN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)c2ccccc21 ZINC000409119437 560679424 /nfs/dbraw/zinc/67/94/24/560679424.db2.gz PIMQZDGGHGPNPX-HAHDFKILSA-N 0 0 417.936 6.462 40 0 HKABRN CC(C)CN1C(=O)/C(=C\c2ccccc2OCc2ccc(F)cc2)c2ccccc21 ZINC000409119478 560679415 /nfs/dbraw/zinc/67/94/15/560679415.db2.gz PUVREACSXWOGTR-HAHDFKILSA-N 0 0 401.481 5.948 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3ccc(Br)cc3)cc2)cc1Cl ZINC000409119581 558948063 /nfs/dbraw/zinc/94/80/63/558948063.db2.gz SFONDQYCXXGDJE-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Cc1c(Cl)cccc1NCc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000409119618 560679437 /nfs/dbraw/zinc/67/94/37/560679437.db2.gz PSUKZRJZKSCUGV-UHFFFAOYSA-N 0 0 422.355 7.646 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1Cl ZINC000409119679 558948065 /nfs/dbraw/zinc/94/80/65/558948065.db2.gz QJAJBSKJNZRSTB-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3cccc4ccccc43)c(Cl)c2)c(C)c1 ZINC000409119684 558948098 /nfs/dbraw/zinc/94/80/98/558948098.db2.gz QJDRSIHYGQEMQO-UHFFFAOYSA-N 0 0 401.937 7.301 40 0 HKABRN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c2ccccc21 ZINC000409119717 558948341 /nfs/dbraw/zinc/94/83/41/558948341.db2.gz QNBQQTKNHSTFHN-MOSHPQCFSA-N 0 0 407.872 5.965 40 0 HKABRN Clc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000409119723 560679428 /nfs/dbraw/zinc/67/94/28/560679428.db2.gz STGUWNOEXDKSJY-UHFFFAOYSA-N 0 0 412.345 6.533 40 0 HKABRN CCCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(Cl)cc1 ZINC000409119736 558948285 /nfs/dbraw/zinc/94/82/85/558948285.db2.gz SUHVAPRQMRPYKI-UHFFFAOYSA-N 0 0 414.962 5.356 40 0 HKABRN CCc1ccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 ZINC000409119738 558948323 /nfs/dbraw/zinc/94/83/23/558948323.db2.gz QDBNVQSLUKSABK-UHFFFAOYSA-N 0 0 404.312 6.886 40 0 HKABRN CCOc1cc(CNc2ccc(C)cc2)cc(I)c1OCC ZINC000409119750 560679421 /nfs/dbraw/zinc/67/94/21/560679421.db2.gz UDBFUXJGGRGSTJ-UHFFFAOYSA-N 0 0 411.283 5.009 40 0 HKABRN CCOc1ccc(NCc2cccc(OCc3ccc(Br)cc3)c2)cc1 ZINC000409119763 558948310 /nfs/dbraw/zinc/94/83/10/558948310.db2.gz UDWAFYDXOVEZRC-UHFFFAOYSA-N 0 0 412.327 6.039 40 0 HKABRN Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)c1C ZINC000409119766 558948303 /nfs/dbraw/zinc/94/83/03/558948303.db2.gz QSEHKMMMSGOCSZ-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN Cc1ccccc1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409119774 558948278 /nfs/dbraw/zinc/94/82/78/558948278.db2.gz UERPARYEOCTZSH-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1C ZINC000409119776 560679426 /nfs/dbraw/zinc/67/94/26/560679426.db2.gz QHXXANMWPZOJPT-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN CCOc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000409119778 558948328 /nfs/dbraw/zinc/94/83/28/558948328.db2.gz UEXWZIPRRYANAP-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Cl)c1OCc1cccc(F)c1 ZINC000409119809 560679527 /nfs/dbraw/zinc/67/95/27/560679527.db2.gz QKXSVZYPZMBOBK-ZDLGFXPLSA-N 0 0 409.844 5.559 40 0 HKABRN Cc1cccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c1C ZINC000409119827 558948567 /nfs/dbraw/zinc/94/85/67/558948567.db2.gz ULFLTKHMNJCOLF-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN Cc1cccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc32)c1C ZINC000409119845 558948450 /nfs/dbraw/zinc/94/84/50/558948450.db2.gz RDCPOHJIKOKZOM-UHFFFAOYSA-N 0 0 401.937 7.301 40 0 HKABRN COc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1ccccc1Cl ZINC000409119881 558948576 /nfs/dbraw/zinc/94/85/76/558948576.db2.gz RILNAOFGJHAKMV-UHFFFAOYSA-N 0 0 416.348 6.810 40 0 HKABRN Cc1ccccc1NCc1ccc(OCc2ccccc2F)c(Br)c1 ZINC000409119887 558948564 /nfs/dbraw/zinc/94/85/64/558948564.db2.gz UFXSQCFTKDMDSV-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN CCOc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2)cc1 ZINC000409119919 558948515 /nfs/dbraw/zinc/94/85/15/558948515.db2.gz UJQCWMBKPWNTKL-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN Cc1ccc(Cl)cc1NCc1ccc(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409119945 560679548 /nfs/dbraw/zinc/67/95/48/560679548.db2.gz RENRBTOLJHQWHR-UHFFFAOYSA-N 0 0 422.355 7.646 40 0 HKABRN CCCOc1c(Br)cc(CNc2cccc(C)c2)cc1Br ZINC000409119970 560679498 /nfs/dbraw/zinc/67/94/98/560679498.db2.gz RLYJFAOPLYMPIX-UHFFFAOYSA-N 0 0 413.153 5.921 40 0 HKABRN CCCN1C(=O)/C(=C\c2cc(Cl)cc(Br)c2OC)c2ccccc21 ZINC000409119982 560679557 /nfs/dbraw/zinc/67/95/57/560679557.db2.gz RQJXHVTVVJBWLE-GDNBJRDFSA-N 0 0 406.707 5.408 40 0 HKABRN Cc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)c1 ZINC000409120021 558948800 /nfs/dbraw/zinc/94/88/00/558948800.db2.gz SGTXWSYWLRIWQE-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc3ccccc32)c1 ZINC000409120024 558948769 /nfs/dbraw/zinc/94/87/69/558948769.db2.gz SHYOAXXLBHVJDG-UHFFFAOYSA-N 0 0 422.355 7.646 40 0 HKABRN CCOc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)cc1 ZINC000409120038 558948642 /nfs/dbraw/zinc/94/86/42/558948642.db2.gz SSMHYZVBYQTJFH-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN Cc1cccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)c1 ZINC000409120044 558948767 /nfs/dbraw/zinc/94/87/67/558948767.db2.gz ULSAHSFFOCTTFT-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccccc21 ZINC000409120090 558948773 /nfs/dbraw/zinc/94/87/73/558948773.db2.gz XYDXCKZRZIQOIG-IWIPYMOSSA-N 0 0 417.936 6.462 40 0 HKABRN c1ccc(-c2cc(-c3ccccc3)nc(SCc3cccc4ccccc43)n2)cc1 ZINC000409120107 560679550 /nfs/dbraw/zinc/67/95/50/560679550.db2.gz RQCHFMHOGQTDKI-UHFFFAOYSA-N 0 0 404.538 7.256 40 0 HKABRN Cc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000409120185 560679510 /nfs/dbraw/zinc/67/95/10/560679510.db2.gz SGFLBGHKNCZONC-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1ccc(COc2c(Cl)cc(CNc3ccc(C)c(Cl)c3)cc2Cl)cc1 ZINC000409120213 560679517 /nfs/dbraw/zinc/67/95/17/560679517.db2.gz VWNRTTFCPLZBDA-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN CCc1ccccc1NCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000409120238 558948747 /nfs/dbraw/zinc/94/87/47/558948747.db2.gz VYOYOMQTLLJPNI-UHFFFAOYSA-N 0 0 414.318 6.342 40 0 HKABRN O=C(CSc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409120315 558948788 /nfs/dbraw/zinc/94/87/88/558948788.db2.gz TWAUVPLZMYUXSV-UHFFFAOYSA-N 0 0 422.575 5.610 40 0 HKABRN CCCCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(CC)cc1 ZINC000409120426 560679665 /nfs/dbraw/zinc/67/96/65/560679665.db2.gz UISXBNKYVGEQPY-UHFFFAOYSA-N 0 0 400.613 6.163 40 0 HKABRN CCOc1ccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000409120459 558948911 /nfs/dbraw/zinc/94/89/11/558948911.db2.gz WBHIJRVQZCVOSY-UHFFFAOYSA-N 0 0 417.936 7.083 40 0 HKABRN CCOc1cc(CNc2cccc(C)c2)cc(I)c1OCC ZINC000409120475 560679642 /nfs/dbraw/zinc/67/96/42/560679642.db2.gz WDROWUBDCQOBNS-UHFFFAOYSA-N 0 0 411.283 5.009 40 0 HKABRN CCc1ccc(NCc2ccc(OCc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000409120497 560679646 /nfs/dbraw/zinc/67/96/46/560679646.db2.gz WJHWZRMCDNDSTC-UHFFFAOYSA-N 0 0 401.937 7.247 40 0 HKABRN Cc1ccc(OCCSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1 ZINC000409120501 558948922 /nfs/dbraw/zinc/94/89/22/558948922.db2.gz WBZBQAIQQIIEEW-UHFFFAOYSA-N 0 0 401.535 5.338 40 0 HKABRN CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O ZINC000409120504 560679655 /nfs/dbraw/zinc/67/96/55/560679655.db2.gz WCOWQGKFPGTYBL-LICLKQGHSA-N 0 0 408.306 5.629 40 0 HKABRN CCc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccccc2)cc1 ZINC000409120536 558948988 /nfs/dbraw/zinc/94/89/88/558948988.db2.gz WHYNLDKGVPVANC-UHFFFAOYSA-N 0 0 401.535 5.668 40 0 HKABRN COc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Br)c1OC ZINC000409120603 560679652 /nfs/dbraw/zinc/67/96/52/560679652.db2.gz RCFAQDLBJNLNOZ-UHFFFAOYSA-N 0 0 414.299 5.871 40 0 HKABRN Cc1ccc(Cl)cc1NCc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000409120624 560679645 /nfs/dbraw/zinc/67/96/45/560679645.db2.gz UVCWMVDXECLXLE-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1ccc(C)c(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1 ZINC000409120645 560679658 /nfs/dbraw/zinc/67/96/58/560679658.db2.gz UZYROHVPBOWFDL-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)c1 ZINC000409120648 560679661 /nfs/dbraw/zinc/67/96/61/560679661.db2.gz VBMHMDDYYAJBGO-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Clc1ccc(COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000409120660 558948947 /nfs/dbraw/zinc/94/89/47/558948947.db2.gz RQMOZNMFMQCOHR-UHFFFAOYSA-N 0 0 415.920 7.323 40 0 HKABRN CCCc1sc2nc(SCc3cccc(F)c3)n(-c3ccccc3)c(=O)c2c1C ZINC000409120686 558948968 /nfs/dbraw/zinc/94/89/68/558948968.db2.gz VRAZWQZKTNAAKW-UHFFFAOYSA-N 0 0 424.566 6.140 40 0 HKABRN Cc1cccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1 ZINC000409120700 558948938 /nfs/dbraw/zinc/94/89/38/558948938.db2.gz RZMAKLFDJCPHFK-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Brc1ccc(OCc2cccc3ccccc32)c(CNc2ccccc2)c1 ZINC000409120707 560679644 /nfs/dbraw/zinc/67/96/44/560679644.db2.gz VVDINWZNBMJFCS-UHFFFAOYSA-N 0 0 418.334 6.793 40 0 HKABRN CCOc1cc(Br)c(/C=C2/c3ccccc3N(CC)C2=O)cc1OCC ZINC000409120724 560679649 /nfs/dbraw/zinc/67/96/49/560679649.db2.gz SEWCHTWTUJHJLJ-WJDWOHSUSA-N 0 0 416.315 5.154 40 0 HKABRN CCOc1ccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 ZINC000409120726 558948993 /nfs/dbraw/zinc/94/89/93/558948993.db2.gz SHBVOCIZEPWGFG-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN CCOc1ccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000409120727 560679668 /nfs/dbraw/zinc/67/96/68/560679668.db2.gz SIDZMUQCHXSTSH-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)cc1 ZINC000409120738 558948958 /nfs/dbraw/zinc/94/89/58/558948958.db2.gz SLPQRLVZGNOOPT-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN O=C(NC1CCCCC1)c1c2c(sc1NC(=O)c1ccc(Cl)cc1)CCCC2 ZINC000409120763 560679648 /nfs/dbraw/zinc/67/96/48/560679648.db2.gz TTWUTHQQQGCBCM-UHFFFAOYSA-N 0 0 416.974 5.595 40 0 HKABRN Cc1ccc(Cl)cc1NCc1cccc(OCc2ccc(Br)cc2)c1 ZINC000409120795 560679635 /nfs/dbraw/zinc/67/96/35/560679635.db2.gz UFAKASSMXPDCFN-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Cc1c(Cl)cccc1NCc1ccccc1OCc1ccc(Br)cc1 ZINC000409120796 558948936 /nfs/dbraw/zinc/94/89/36/558948936.db2.gz UGZLBWFGVDDQEC-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Cc1ccc(Cl)cc1NCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000409120798 558948977 /nfs/dbraw/zinc/94/89/77/558948977.db2.gz UIEGMDMITIMCNR-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(Br)cc1 ZINC000409120864 560679650 /nfs/dbraw/zinc/67/96/50/560679650.db2.gz WOMKBPDZILWUEL-UHFFFAOYSA-N 0 0 405.144 5.628 40 0 HKABRN Cc1ccc(Cl)cc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1F ZINC000409120879 558948981 /nfs/dbraw/zinc/94/89/81/558948981.db2.gz WWRCHLGPLLSLBI-UHFFFAOYSA-N 0 0 424.730 7.285 40 0 HKABRN COc1ccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 ZINC000409120893 558948737 /nfs/dbraw/zinc/94/87/37/558948737.db2.gz WSLFTBWPQDUMFQ-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN Cc1ccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1C ZINC000409120894 560679643 /nfs/dbraw/zinc/67/96/43/560679643.db2.gz WYZGRIGCZUXJSD-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN CCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccc2ccccc2c1 ZINC000409120922 558948734 /nfs/dbraw/zinc/94/87/34/558948734.db2.gz XCTOYBLZODZNJJ-JLPGSUDCSA-N 0 0 421.496 6.310 40 0 HKABRN Cc1ccc(Cl)cc1NCc1ccc(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409120927 560679637 /nfs/dbraw/zinc/67/96/37/560679637.db2.gz XDVCRPNANAIOFI-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1ccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c(C)c1 ZINC000409120928 560679654 /nfs/dbraw/zinc/67/96/54/560679654.db2.gz USMIJOMIMCWYOE-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN COc1cc(CNc2cc(C)ccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409120976 558950375 /nfs/dbraw/zinc/95/03/75/558950375.db2.gz XLVCUUHFYKKEKT-UHFFFAOYSA-N 0 0 411.523 5.000 40 0 HKABRN CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1F ZINC000409120997 558950562 /nfs/dbraw/zinc/95/05/62/558950562.db2.gz VCHLBBXFHLPNMW-UHFFFAOYSA-N 0 0 413.920 6.686 40 0 HKABRN CCOc1ccc(NCc2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000409120998 560679724 /nfs/dbraw/zinc/67/97/24/560679724.db2.gz XQJITQKDAWHKMT-UHFFFAOYSA-N 0 0 411.929 6.247 40 0 HKABRN CC(C)CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c2ccccc21 ZINC000409121009 558950567 /nfs/dbraw/zinc/95/05/67/558950567.db2.gz VDQFFSMZJIEYLE-PDGQHHTCSA-N 0 0 412.316 6.797 40 0 HKABRN Cc1c(Cl)cccc1NCc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409121015 560679685 /nfs/dbraw/zinc/67/96/85/560679685.db2.gz XRQAXDBMKSFOPO-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Clc1ccccc1COc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000409121022 560679696 /nfs/dbraw/zinc/67/96/96/560679696.db2.gz XSQCZLKPSZHATR-UHFFFAOYSA-N 0 0 415.920 7.323 40 0 HKABRN Cc1cccc(NCc2cc(Br)ccc2OCc2ccccc2F)c1 ZINC000409121051 558949341 /nfs/dbraw/zinc/94/93/41/558949341.db2.gz XYXLVFWUUBYBND-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1C ZINC000409121098 558950775 /nfs/dbraw/zinc/95/07/75/558950775.db2.gz VWWFKGWKKKCBQB-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN CCOc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1 ZINC000409121199 560679717 /nfs/dbraw/zinc/67/97/17/560679717.db2.gz XAJICGHZVNTXKW-UHFFFAOYSA-N 0 0 411.929 6.329 40 0 HKABRN CCCOc1c(I)cc(CNc2ccccc2C)cc1OC ZINC000409121243 560679693 /nfs/dbraw/zinc/67/96/93/560679693.db2.gz UBCZEXRSERTTSH-UHFFFAOYSA-N 0 0 411.283 5.009 40 0 HKABRN COc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)cc1 ZINC000409121256 558951565 /nfs/dbraw/zinc/95/15/65/558951565.db2.gz XPCGHXOSANVIKN-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN Cc1cccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)c1C ZINC000409121264 560679701 /nfs/dbraw/zinc/67/97/01/560679701.db2.gz YTZILFVVJOVRHW-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)c2ccccc21 ZINC000409121272 560679716 /nfs/dbraw/zinc/67/97/16/560679716.db2.gz UJHUCKJJWDHNID-JWGURIENSA-N 0 0 403.909 6.216 40 0 HKABRN CCc1ccccc1NCc1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000409121313 558951194 /nfs/dbraw/zinc/95/11/94/558951194.db2.gz ZAWVCBRYPTVNHE-UHFFFAOYSA-N 0 0 404.312 6.886 40 0 HKABRN Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 ZINC000409121331 560679703 /nfs/dbraw/zinc/67/97/03/560679703.db2.gz WEASUNVBLWTANY-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN CCCN1C(=O)/C(=C\c2cc(Br)c(OCC)c(OC)c2)c2ccccc21 ZINC000409121379 558951330 /nfs/dbraw/zinc/95/13/30/558951330.db2.gz ZHPXHTRVKWCBBR-WJDWOHSUSA-N 0 0 416.315 5.154 40 0 HKABRN CCCOc1c(Cl)cc(Cl)cc1CNc1ccc(Oc2ccccc2)cc1 ZINC000409121382 560679690 /nfs/dbraw/zinc/67/96/90/560679690.db2.gz ZHXPWPHOACQDHT-UHFFFAOYSA-N 0 0 402.321 7.187 40 0 HKABRN CCOc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Cl)c1OCc1ccccc1F ZINC000409121416 560679711 /nfs/dbraw/zinc/67/97/11/560679711.db2.gz WVCSEGKUWRJTEH-WQRHYEAKSA-N 0 0 423.871 5.950 40 0 HKABRN Cc1ccc(C)c(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)c1 ZINC000409121431 558951332 /nfs/dbraw/zinc/95/13/32/558951332.db2.gz ZTOCDVQBCSVNKC-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN CCOc1cc(CNc2ccc(C)cc2C)ccc1OCc1cccc2ccccc21 ZINC000409121491 560679730 /nfs/dbraw/zinc/67/97/30/560679730.db2.gz YANKHLUIWMNVHD-UHFFFAOYSA-N 0 0 411.545 7.046 40 0 HKABRN CCc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)cc1 ZINC000409121500 558951354 /nfs/dbraw/zinc/95/13/54/558951354.db2.gz YEEVWSSTDCIXDK-UHFFFAOYSA-N 0 0 420.767 7.400 40 0 HKABRN Cc1ccc(Cl)cc1NCc1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409121531 560679686 /nfs/dbraw/zinc/67/96/86/560679686.db2.gz XROMDGZSSTTZMP-UHFFFAOYSA-N 0 0 424.730 7.285 40 0 HKABRN CCc1ccccc1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000409121568 558951374 /nfs/dbraw/zinc/95/13/74/558951374.db2.gz WTBHNHVKFFUSJN-UHFFFAOYSA-N 0 0 416.348 6.756 40 0 HKABRN Cc1ccc(C)c(NCc2cc(Br)ccc2OCc2ccc(F)cc2)c1 ZINC000409121611 560679698 /nfs/dbraw/zinc/67/96/98/560679698.db2.gz XCJFTOUDXJOXRB-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN Clc1cc(CNc2ccccc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409121617 560679713 /nfs/dbraw/zinc/67/97/13/560679713.db2.gz XDCRDYWFKSZAQH-UHFFFAOYSA-N 0 0 408.328 7.338 40 0 HKABRN COc1cc(CNc2ccccc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409121623 560679828 /nfs/dbraw/zinc/67/98/28/560679828.db2.gz XEGRQNNYRADYKC-UHFFFAOYSA-N 0 0 403.909 6.693 40 0 HKABRN CCOc1ccc(NCc2c(OCc3cccc(Cl)c3)ccc3ccccc32)cc1 ZINC000409121634 558951321 /nfs/dbraw/zinc/95/13/21/558951321.db2.gz XGKLTIDSMCQYSM-UHFFFAOYSA-N 0 0 417.936 7.083 40 0 HKABRN Cc1ccccc1NCc1cc(Br)ccc1OCc1cccc(F)c1 ZINC000409121639 558951363 /nfs/dbraw/zinc/95/13/63/558951363.db2.gz XINSHZUSTSUHIP-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Br)c1O ZINC000409121696 560679802 /nfs/dbraw/zinc/67/98/02/560679802.db2.gz ZJCBNNXPHFHPTL-UHFFFAOYSA-N 0 0 414.299 5.958 40 0 HKABRN CCc1ccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000409121728 558951352 /nfs/dbraw/zinc/95/13/52/558951352.db2.gz ZPRXIHHGTQRIIT-UHFFFAOYSA-N 0 0 404.312 6.886 40 0 HKABRN Cc1cccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 ZINC000409121732 560679815 /nfs/dbraw/zinc/67/98/15/560679815.db2.gz ZRVYXUIAZAMNMO-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)cc1 ZINC000409121736 558951342 /nfs/dbraw/zinc/95/13/42/558951342.db2.gz ZSOGVVLYQRJEEK-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CCCCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(OC)cc1 ZINC000409121744 558951364 /nfs/dbraw/zinc/95/13/64/558951364.db2.gz XRAQNDHMJVTFGL-UHFFFAOYSA-N 0 0 402.585 5.609 40 0 HKABRN COc1cc(CNc2ccccc2C)cc(Cl)c1OCc1ccccc1Cl ZINC000409121747 558951366 /nfs/dbraw/zinc/95/13/66/558951366.db2.gz XRKWXXNPEREUCH-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 ZINC000409121765 558951359 /nfs/dbraw/zinc/95/13/59/558951359.db2.gz WHRVBXZPRCXZQD-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)c(C)c1 ZINC000409121773 558951340 /nfs/dbraw/zinc/95/13/40/558951340.db2.gz ZYKPAUGFXHXRMI-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN CC(C)CN1C(=O)/C(=C\c2ccccc2OCc2cccc(F)c2)c2ccccc21 ZINC000409121839 560679836 /nfs/dbraw/zinc/67/98/36/560679836.db2.gz WXGYVSVDLRONCK-HAHDFKILSA-N 0 0 401.481 5.948 40 0 HKABRN CCCc1sc2nc(SCc3ccccc3)n(-c3ccccc3)c(=O)c2c1C ZINC000409121843 560679806 /nfs/dbraw/zinc/67/98/06/560679806.db2.gz YDLPNZRQSJEQPI-UHFFFAOYSA-N 0 0 406.576 6.000 40 0 HKABRN CCc1ccccc1NCc1ccc(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409121847 558951368 /nfs/dbraw/zinc/95/13/68/558951368.db2.gz YFOFGAMBHLDNDU-UHFFFAOYSA-N 0 0 401.937 7.247 40 0 HKABRN CCc1sc2nc(SCc3ccc(C)cc3)n(-c3ccc(C)cc3)c(=O)c2c1C ZINC000409121888 558951372 /nfs/dbraw/zinc/95/13/72/558951372.db2.gz VNGLOLMSAKNEDJ-UHFFFAOYSA-N 0 0 420.603 6.227 40 0 HKABRN CCCc1sc2nc(Sc3ccccn3)n(-c3ccc(F)cc3)c(=O)c2c1C ZINC000409121932 558951529 /nfs/dbraw/zinc/95/15/29/558951529.db2.gz VZXBUCFAPVYQMI-UHFFFAOYSA-N 0 0 411.527 5.393 40 0 HKABRN CCOc1ccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc32)cc1 ZINC000409121994 560679822 /nfs/dbraw/zinc/67/98/22/560679822.db2.gz YAFUWJLSVRARTM-UHFFFAOYSA-N 0 0 417.936 7.083 40 0 HKABRN CCOc1cc(CNc2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409122068 560679810 /nfs/dbraw/zinc/67/98/10/560679810.db2.gz YQXQCSORIPKKQQ-UHFFFAOYSA-N 0 0 411.523 5.082 40 0 HKABRN COc1c(Br)cc(Cl)cc1/C=C1/c2ccccc2N(CC(C)C)C1=O ZINC000409122071 558952538 /nfs/dbraw/zinc/95/25/38/558952538.db2.gz YSTVQLUEYMDVEN-SXGWCWSVSA-N 0 0 420.734 5.654 40 0 HKABRN Cc1ccccc1NCc1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409122072 558952521 /nfs/dbraw/zinc/95/25/21/558952521.db2.gz YTAZBYAWVQELKM-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CCOc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)c(Br)cc1O ZINC000409122083 558951720 /nfs/dbraw/zinc/95/17/20/558951720.db2.gz XCWJACULLFHEOM-SXGWCWSVSA-N 0 0 416.315 5.097 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)c(C)c1 ZINC000409122122 560679813 /nfs/dbraw/zinc/67/98/13/560679813.db2.gz ZJGOJMHIASPZMT-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN COc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1ccccc1Cl ZINC000409122151 560679824 /nfs/dbraw/zinc/67/98/24/560679824.db2.gz ZWMSTUGSNCVGOM-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN Cc1ccc(COc2ccc3ccccc3c2CNc2cc(Cl)ccc2C)cc1 ZINC000409122169 558952346 /nfs/dbraw/zinc/95/23/46/558952346.db2.gz YERSBODWZCUCIX-UHFFFAOYSA-N 0 0 401.937 7.301 40 0 HKABRN Clc1cccc(COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2)c1 ZINC000409122195 560679808 /nfs/dbraw/zinc/67/98/08/560679808.db2.gz YMIIMKGZAVBSKB-UHFFFAOYSA-N 0 0 415.920 7.323 40 0 HKABRN CCOc1ccc2ccc(OCC)c(/C=C3/c4ccccc4N(CC(C)C)C3=O)c2c1 ZINC000409122203 558952343 /nfs/dbraw/zinc/95/23/43/558952343.db2.gz 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/nfs/dbraw/zinc/97/21/86/558972186.db2.gz CMLBFSIWXDGPQT-UHFFFAOYSA-N 0 0 400.349 7.110 40 0 HKABRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1C1CCCC1 ZINC000409127194 558977858 /nfs/dbraw/zinc/97/78/58/558977858.db2.gz HBGFNNIRMZFIAI-NDENLUEZSA-N 0 0 414.958 6.110 40 0 HKABRN COc1cccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1OC(C)C ZINC000409127276 560681183 /nfs/dbraw/zinc/68/11/83/560681183.db2.gz CEYSYCHQSXMJEN-HMMYKYKNSA-N 0 0 411.523 5.152 40 0 HKABRN Cc1cccc(COc2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)cc2)c1 ZINC000409127345 560681184 /nfs/dbraw/zinc/68/11/84/560681184.db2.gz JDUDYCNENROWNB-HZHRSRAPSA-N 0 0 421.562 6.191 40 0 HKABRN Cc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)n1C1CCCC1 ZINC000409127657 558979406 /nfs/dbraw/zinc/97/94/06/558979406.db2.gz FFDZWKJXYFMKKU-QNGOZBTKSA-N 0 0 410.539 5.335 40 0 HKABRN CC(C)Cn1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000409127680 558979748 /nfs/dbraw/zinc/97/97/48/558979748.db2.gz QUXNWEKYJNBDSJ-JAIQZWGSSA-N 0 0 410.926 6.192 40 0 HKABRN Cc1cccc(-n2cccc2/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1C ZINC000409128101 558981840 /nfs/dbraw/zinc/98/18/40/558981840.db2.gz DNMVHQHAZWZXFL-HAVVHWLPSA-N 0 0 416.546 5.763 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Cl ZINC000409128119 560681333 /nfs/dbraw/zinc/68/13/33/560681333.db2.gz IOIYNAIMHACPMU-BXUJETTOSA-N 0 0 407.963 6.134 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Cl ZINC000409128132 558982068 /nfs/dbraw/zinc/98/20/68/558982068.db2.gz IOIYNAIMHACPMU-ONDHQXCVSA-N 0 0 407.963 6.134 40 0 HKABRN Cc1ccc(Cl)cc1NCc1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 ZINC000409128219 558982642 /nfs/dbraw/zinc/98/26/42/558982642.db2.gz DYQRQBAGYSWXLM-UHFFFAOYSA-N 0 0 424.730 7.285 40 0 HKABRN Cc1ccc(S(=O)(=O)Oc2ccc(CNc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000409128277 558982709 /nfs/dbraw/zinc/98/27/09/558982709.db2.gz FDQPLHDGYQYFKI-UHFFFAOYSA-N 0 0 401.915 5.337 40 0 HKABRN Cc1ccc(COc2c(Cl)cc(CNc3cc(C)ccc3C)cc2Cl)cc1 ZINC000409128301 558982700 /nfs/dbraw/zinc/98/27/00/558982700.db2.gz FEAUCNRFZLXHSD-UHFFFAOYSA-N 0 0 400.349 7.110 40 0 HKABRN COc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409128437 558982924 /nfs/dbraw/zinc/98/29/24/558982924.db2.gz FOWIQPMCNWWNED-UHFFFAOYSA-N 0 0 417.936 7.001 40 0 HKABRN CCCN1C(=O)S/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)C1=O ZINC000409128920 558983535 /nfs/dbraw/zinc/98/35/35/558983535.db2.gz PXLOPVNVGGZYRB-STZFKDTASA-N 0 0 424.497 5.306 40 0 HKABRN COc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c2ccccc12 ZINC000409129023 560681453 /nfs/dbraw/zinc/68/14/53/560681453.db2.gz QISISTXLOQSZCK-CJLVFECKSA-N 0 0 403.503 5.518 40 0 HKABRN CCOc1cc(Cl)c(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OCC ZINC000409129028 560681532 /nfs/dbraw/zinc/68/15/32/560681532.db2.gz JTCDGRQHKATAIA-YBFXNURJSA-N 0 0 423.962 5.754 40 0 HKABRN O=C1S/C(=C/c2ccccc2Br)C(=O)N1CCCc1ccccc1 ZINC000409129053 558983522 /nfs/dbraw/zinc/98/35/22/558983522.db2.gz UCDMVCXXRNJMJK-GHRIWEEISA-N 0 0 402.313 5.118 40 0 HKABRN CCOc1cc(/C=C2/c3ccccc3N(CC)C2=O)ccc1OCc1cccc(F)c1 ZINC000409129365 558983674 /nfs/dbraw/zinc/98/36/74/558983674.db2.gz GJZDEZVZJCHTFP-JCMHNJIXSA-N 0 0 417.480 5.711 40 0 HKABRN CCc1cccc2c(/C=C3\SC(=O)N(CC(C)C)C3=O)cn(Cc3ccccc3)c21 ZINC000409129368 558983685 /nfs/dbraw/zinc/98/36/85/558983685.db2.gz GGKDDNHAQZZZSK-XKZIYDEJSA-N 0 0 418.562 5.944 40 0 HKABRN CCc1cccc2c(/C=C3\SC(=O)N(C(C)C)C3=O)cn(Cc3ccccc3)c21 ZINC000409129375 560681549 /nfs/dbraw/zinc/68/15/49/560681549.db2.gz FXUIZVOTGCPRQB-BKUYFWCQSA-N 0 0 404.535 5.697 40 0 HKABRN CN(C)c1ccc(-n2cccc2/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 ZINC000409129415 558983751 /nfs/dbraw/zinc/98/37/51/558983751.db2.gz GLTXFFPSFWDMFI-RCCKNPSSSA-N 0 0 409.555 5.160 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1C ZINC000409129433 558983756 /nfs/dbraw/zinc/98/37/56/558983756.db2.gz GQFJIUMIOGECQQ-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)o2)cc1 ZINC000409129437 558983725 /nfs/dbraw/zinc/98/37/25/558983725.db2.gz GQJOJXILMDNNII-CPNJWEJPSA-N 0 0 413.564 6.356 40 0 HKABRN Cc1ccc(Cl)cc1NCc1cc(Cl)ccc1OCc1cccc2ccccc21 ZINC000409129456 558983728 /nfs/dbraw/zinc/98/37/28/558983728.db2.gz GSTWJTXVCXPDGW-UHFFFAOYSA-N 0 0 422.355 7.646 40 0 HKABRN CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000409129491 558983708 /nfs/dbraw/zinc/98/37/08/558983708.db2.gz GWUJPPIYUYWQAV-UHFFFAOYSA-N 0 0 424.338 6.004 40 0 HKABRN COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Br ZINC000409129537 560681530 /nfs/dbraw/zinc/68/15/30/560681530.db2.gz GKRJKWOEPOVINV-MHWRWJLKSA-N 0 0 410.333 5.074 40 0 HKABRN CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OC ZINC000409129576 558983866 /nfs/dbraw/zinc/98/38/66/558983866.db2.gz GRBSHVCPNVDVSZ-GZTJUZNOSA-N 0 0 409.935 5.364 40 0 HKABRN COc1ccc(-n2cccc2/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1 ZINC000409129638 560681626 /nfs/dbraw/zinc/68/16/26/560681626.db2.gz VHEMSZXTXREVPW-OQKWZONESA-N 0 0 418.518 5.155 40 0 HKABRN O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1CCCc1ccccc1 ZINC000409129698 558983874 /nfs/dbraw/zinc/98/38/74/558983874.db2.gz LSOBSOXVBDRICM-RCCKNPSSSA-N 0 0 423.921 6.269 40 0 HKABRN Cc1cccc(C)c1NC(=O)c1ccc2c(c1)[C@H]1[C@@H]([C@H]3CC[C@H]1C3)[C@H](c1ccccc1)N2 ZINC000409129905 558984021 /nfs/dbraw/zinc/98/40/21/558984021.db2.gz LFIVQOVFNUYDPB-IEOHQWBCSA-N 0 0 422.572 6.852 40 0 HKABRN CCc1cccc2c(/C=C3\SC(=O)N(CC)C3=O)cn(Cc3ccc(F)cc3)c21 ZINC000409130204 560681716 /nfs/dbraw/zinc/68/17/16/560681716.db2.gz IRXGMTLSINPVCC-NDENLUEZSA-N 0 0 408.498 5.447 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OC ZINC000409130419 560681754 /nfs/dbraw/zinc/68/17/54/560681754.db2.gz HTAVPVBNSVGEGC-NPRIEWAGSA-N 0 0 403.544 5.489 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OC ZINC000409130422 558984857 /nfs/dbraw/zinc/98/48/57/558984857.db2.gz HTAVPVBNSVGEGC-OOWUWCJESA-N 0 0 403.544 5.489 40 0 HKABRN CCCCN1C(=O)S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C1=O ZINC000409130557 558984854 /nfs/dbraw/zinc/98/48/54/558984854.db2.gz IALCOEBUFMZBQF-JWGURIENSA-N 0 0 420.534 5.557 40 0 HKABRN COCCN1C(=O)S/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O ZINC000409130582 558984958 /nfs/dbraw/zinc/98/49/58/558984958.db2.gz WLOIKXPHFPSJNU-ATVHPVEESA-N 0 0 405.928 5.174 40 0 HKABRN Cc1ccc(CSCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000409130669 558985180 /nfs/dbraw/zinc/98/51/80/558985180.db2.gz UCQWSHDVETUGHK-IBGZPJMESA-N 0 0 418.562 5.358 40 0 HKABRN Cc1ccc(CSCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000409130671 558985136 /nfs/dbraw/zinc/98/51/36/558985136.db2.gz UCQWSHDVETUGHK-LJQANCHMSA-N 0 0 418.562 5.358 40 0 HKABRN COc1ccc2ccc(OC)c(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2c1 ZINC000409130975 558985650 /nfs/dbraw/zinc/98/56/50/558985650.db2.gz ORSGOYUWRMHQKS-FYJGNVAPSA-N 0 0 411.523 5.474 40 0 HKABRN Cc1c(Cl)cccc1NCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000409131290 558985857 /nfs/dbraw/zinc/98/58/57/558985857.db2.gz IPURDDKEIUJAOD-UHFFFAOYSA-N 0 0 405.900 7.132 40 0 HKABRN Cc1c(Cl)cccc1NCc1ccc(OCc2ccccc2)c(Br)c1 ZINC000409131334 560680418 /nfs/dbraw/zinc/68/04/18/560680418.db2.gz IXLGJLGJYLBFMP-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN Cc1ccc(NCc2ccc(OCc3cccc4ccccc43)c(Cl)c2)cc1C ZINC000409131436 558985876 /nfs/dbraw/zinc/98/58/76/558985876.db2.gz JKDACROMWLOJOV-UHFFFAOYSA-N 0 0 401.937 7.301 40 0 HKABRN O=C1S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N1CCCc1ccccc1 ZINC000409131518 558985958 /nfs/dbraw/zinc/98/59/58/558985958.db2.gz IRBRYBKBORPRGE-RCCKNPSSSA-N 0 0 407.466 5.755 40 0 HKABRN CCN1C(=O)S/C(=C\c2cn(CCCOc3ccc(C)cc3)c3ccccc23)C1=O ZINC000409131663 558986117 /nfs/dbraw/zinc/98/61/17/558986117.db2.gz YPEHLZWHCIABPQ-JCMHNJIXSA-N 0 0 420.534 5.475 40 0 HKABRN Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1Cc1ccccc1 ZINC000409131673 558986077 /nfs/dbraw/zinc/98/60/77/558986077.db2.gz YPXWPGYQSALRFE-HYARGMPZSA-N 0 0 408.567 5.770 40 0 HKABRN Cc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)c1 ZINC000409131680 560680420 /nfs/dbraw/zinc/68/04/20/560680420.db2.gz KCLQLYVVPVTMMR-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(Cl)cc1OC ZINC000409131743 558986298 /nfs/dbraw/zinc/98/62/98/558986298.db2.gz WSZGAMTTWCLYSV-VCHYOVAHSA-N 0 0 409.935 5.364 40 0 HKABRN O=C1S/C(=C/c2cccn2-c2ccccc2F)C(=O)N1CCCc1ccccc1 ZINC000409131836 558986277 /nfs/dbraw/zinc/98/62/77/558986277.db2.gz YJUBTZNKWHAJTL-LTGZKZEYSA-N 0 0 406.482 5.286 40 0 HKABRN CC(C)Cn1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000409131873 558986413 /nfs/dbraw/zinc/98/64/13/558986413.db2.gz YTYMUKBFQRWQCX-NHDPSOOVSA-N 0 0 408.498 5.673 40 0 HKABRN CC(C)Cn1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c2ccccc21 ZINC000409132093 560680601 /nfs/dbraw/zinc/68/06/01/560680601.db2.gz OOJNCNCFIDIFBF-HMAPJEAMSA-N 0 0 404.535 5.576 40 0 HKABRN COCCN1C(=O)S/C(=C\c2ccccc2OCc2cccc3ccccc32)C1=O ZINC000409132109 560680597 /nfs/dbraw/zinc/68/05/97/560680597.db2.gz OUTIBUVNEMPKRC-PXLXIMEGSA-N 0 0 419.502 5.102 40 0 HKABRN COc1c(Cl)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1Cl ZINC000409132194 558987007 /nfs/dbraw/zinc/98/70/07/558987007.db2.gz LSEDBTDNNUEPJP-SFQUDFHCSA-N 0 0 422.333 5.671 40 0 HKABRN COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)ccc1OC(C)C ZINC000409132283 558986597 /nfs/dbraw/zinc/98/65/97/558986597.db2.gz NRYYHDBKZCBKPF-RCCKNPSSSA-N 0 0 411.523 5.152 40 0 HKABRN CC[C@@H](C)n1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c2ccccc21 ZINC000409132296 560680585 /nfs/dbraw/zinc/68/05/85/560680585.db2.gz ZEPNECJFBZDYTL-OZHVRZOASA-N 0 0 418.562 6.281 40 0 HKABRN CC[C@H](C)n1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c2ccccc21 ZINC000409132298 558986505 /nfs/dbraw/zinc/98/65/05/558986505.db2.gz ZEPNECJFBZDYTL-RPNTZMPASA-N 0 0 418.562 6.281 40 0 HKABRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(C)C)C3=O)o2)ccc1Br ZINC000409132544 560680615 /nfs/dbraw/zinc/68/06/15/560680615.db2.gz QGEFBBNIEYVBFG-MFOYZWKCSA-N 0 0 420.328 5.710 40 0 HKABRN Cc1c(Cl)cccc1NCc1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409132783 558987326 /nfs/dbraw/zinc/98/73/26/558987326.db2.gz LRZQDLBJYOIHNJ-UHFFFAOYSA-N 0 0 424.730 7.285 40 0 HKABRN COc1ccc(/C=C(/C(=O)Nc2ccccc2-c2ccccc2)c2ccccc2)cc1 ZINC000409132793 558987272 /nfs/dbraw/zinc/98/72/72/558987272.db2.gz KBFSYNRLFCOSRE-LHLOQNFPSA-N 0 0 405.497 6.542 40 0 HKABRN COc1cc(Cl)c(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OC ZINC000409132823 558987330 /nfs/dbraw/zinc/98/73/30/558987330.db2.gz KEBKNRCAPUDVGB-XDHOZWIPSA-N 0 0 417.914 5.026 40 0 HKABRN CCc1cccc2c(/C=C3\SC(=O)N(C(C)C)C3=O)cn(Cc3ccc(F)cc3)c21 ZINC000409132924 558987324 /nfs/dbraw/zinc/98/73/24/558987324.db2.gz YODZMAZLELHIIQ-MTJSOVHGSA-N 0 0 422.525 5.836 40 0 HKABRN CC(C)c1ccccc1NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000409133249 560681979 /nfs/dbraw/zinc/68/19/79/560681979.db2.gz NGHDYLHOGRDMMD-UHFFFAOYSA-N 0 0 422.550 5.029 40 0 HKABRN CCc1cc(Br)cc(C)c1NC(=O)COc1ccccc1-c1ccccc1 ZINC000409133497 558993524 /nfs/dbraw/zinc/99/35/24/558993524.db2.gz UHXRAKOWSJGGAZ-UHFFFAOYSA-N 0 0 424.338 6.004 40 0 HKABRN Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)o1 ZINC000409133551 560681991 /nfs/dbraw/zinc/68/19/91/560681991.db2.gz LIRONPAEXQRYRC-UDWIEESQSA-N 0 0 415.942 6.525 40 0 HKABRN Cc1ccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc32)c(C)c1 ZINC000409133611 558993699 /nfs/dbraw/zinc/99/36/99/558993699.db2.gz NHMPTBOQDJKECP-UHFFFAOYSA-N 0 0 401.937 7.301 40 0 HKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)c(C)c1 ZINC000409133625 560682077 /nfs/dbraw/zinc/68/20/77/560682077.db2.gz NKQDFDXEERYLNK-UHFFFAOYSA-N 0 0 420.767 7.455 40 0 HKABRN O=C1S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1CC1CCCCC1 ZINC000409133655 560682020 /nfs/dbraw/zinc/68/20/20/560682020.db2.gz MWKNUSAIKUUFIL-PXLXIMEGSA-N 0 0 407.535 5.882 40 0 HKABRN CCCN1C(=O)S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C1=O ZINC000409133661 560682035 /nfs/dbraw/zinc/68/20/35/560682035.db2.gz MDSOXXKMZVSVEI-QNGOZBTKSA-N 0 0 406.507 5.167 40 0 HKABRN CCc1cccc2c(/C=C3\SC(=O)N(CC)C3=O)cn(Cc3ccc(Cl)cc3)c21 ZINC000409133966 560682065 /nfs/dbraw/zinc/68/20/65/560682065.db2.gz OEINRUQCQIGXED-NDENLUEZSA-N 0 0 424.953 5.962 40 0 HKABRN CC(C)CN1C(=O)S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C1=O ZINC000409134042 558994578 /nfs/dbraw/zinc/99/45/78/558994578.db2.gz VKTJQIKKOYEOBQ-HMAPJEAMSA-N 0 0 420.534 5.413 40 0 HKABRN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(Cl)c1Cl ZINC000409134188 560682178 /nfs/dbraw/zinc/68/21/78/560682178.db2.gz NZOWYYIIEMYPJX-UHFFFAOYSA-N 0 0 401.098 5.110 40 0 HKABRN O=C1S/C(=C/c2ccc(Sc3ccccc3)cc2)C(=O)N1CC1CCCCC1 ZINC000409134200 560682182 /nfs/dbraw/zinc/68/21/82/560682182.db2.gz NRHKBOXFCHBQJJ-RCCKNPSSSA-N 0 0 409.576 6.454 40 0 HKABRN CC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(CC4CCCCC4)C3=O)o2)cc1 ZINC000409134245 558862257 /nfs/dbraw/zinc/86/22/57/558862257.db2.gz NJOUGLHEUPFCNC-FYJGNVAPSA-N 0 0 409.507 5.766 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2C)ccc1OCc1cccc2ccccc21 ZINC000409134248 560682140 /nfs/dbraw/zinc/68/21/40/560682140.db2.gz OIHDIEYMWLIKCJ-UHFFFAOYSA-N 0 0 417.936 7.001 40 0 HKABRN CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409134253 558862177 /nfs/dbraw/zinc/86/21/77/558862177.db2.gz OKHCFPGJMTXEEG-UHFFFAOYSA-N 0 0 413.920 6.631 40 0 HKABRN O=C1S/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)N1CCCc1ccccc1 ZINC000409134430 558862788 /nfs/dbraw/zinc/86/27/88/558862788.db2.gz SPOGCTKTWGJBTF-LTGZKZEYSA-N 0 0 406.482 5.286 40 0 HKABRN Cc1ccccc1NCc1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000409134853 560682250 /nfs/dbraw/zinc/68/22/50/560682250.db2.gz PSRQASSRUPXBRL-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN CCCN1C(=O)S/C(=C\c2cn(CCCOc3ccccc3)c3ccccc23)C1=O ZINC000409135024 560682293 /nfs/dbraw/zinc/68/22/93/560682293.db2.gz PHKYQYQDTLXXSH-JWGURIENSA-N 0 0 420.534 5.557 40 0 HKABRN COCCN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O ZINC000409135026 558862910 /nfs/dbraw/zinc/86/29/10/558862910.db2.gz PKETWLYPEDQPJK-SFQUDFHCSA-N 0 0 405.928 5.174 40 0 HKABRN CCc1ccccc1NCc1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000409135072 558862931 /nfs/dbraw/zinc/86/29/31/558862931.db2.gz QYBBXZKHGIJKEW-UHFFFAOYSA-N 0 0 410.355 6.511 40 0 HKABRN CCn1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000409135240 560682266 /nfs/dbraw/zinc/68/22/66/560682266.db2.gz VXEDZZWNMWFBPV-JAIQZWGSSA-N 0 0 424.909 5.234 40 0 HKABRN O=S1(=O)c2ccccc2N[C@H](c2c(Cl)cccc2Cl)N1Cc1ccccc1 ZINC000409135328 558863128 /nfs/dbraw/zinc/86/31/28/558863128.db2.gz ULBLJWFMVZFJLF-FQEVSTJZSA-N 0 0 419.333 5.309 40 0 HKABRN O=S1(=O)c2ccccc2N[C@@H](c2c(Cl)cccc2Cl)N1Cc1ccccc1 ZINC000409135330 558863131 /nfs/dbraw/zinc/86/31/31/558863131.db2.gz ULBLJWFMVZFJLF-HXUWFJFHSA-N 0 0 419.333 5.309 40 0 HKABRN COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Cl)c1OC ZINC000409135351 558863076 /nfs/dbraw/zinc/86/30/76/558863076.db2.gz YQWVFXCOTZCDKL-QGOAFFKASA-N 0 0 417.914 5.026 40 0 HKABRN COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c(Cl)c1Cl ZINC000409135504 558863319 /nfs/dbraw/zinc/86/33/19/558863319.db2.gz RQOXBKOHPALZKW-UHFFFAOYSA-N 0 0 424.305 5.595 40 0 HKABRN CCCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Br ZINC000409135551 560682325 /nfs/dbraw/zinc/68/23/25/560682325.db2.gz RBOZNJMIYGXJKQ-UHFFFAOYSA-N 0 0 412.327 6.642 40 0 HKABRN Cc1ccc(C)c(NCc2cc(Br)ccc2OCc2cccc(F)c2)c1 ZINC000409135556 560682315 /nfs/dbraw/zinc/68/23/15/560682315.db2.gz RDQPQUIAEUSUOZ-UHFFFAOYSA-N 0 0 414.318 6.396 40 0 HKABRN COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c(Cl)c1Cl ZINC000409135821 558864210 /nfs/dbraw/zinc/86/42/10/558864210.db2.gz ZZTPDSWCNBQPQO-UHFFFAOYSA-N 0 0 401.098 5.110 40 0 HKABRN CCOC(=O)c1c(NC(=O)CSCc2cc(C)cc(C)c2)sc2c1CCCC2 ZINC000409135876 558864166 /nfs/dbraw/zinc/86/41/66/558864166.db2.gz SRCJGXDULWFLRE-UHFFFAOYSA-N 0 0 417.596 5.292 40 0 HKABRN Cc1ccc(COc2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)cc2)cc1 ZINC000409135909 558864103 /nfs/dbraw/zinc/86/41/03/558864103.db2.gz RBPOHBKJJUHXPX-HZHRSRAPSA-N 0 0 421.562 6.191 40 0 HKABRN CC(C)Cn1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000409135971 558863934 /nfs/dbraw/zinc/86/39/34/558863934.db2.gz VKKRCFPLOVSOCY-JAIQZWGSSA-N 0 0 410.926 6.192 40 0 HKABRN CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(Cl)cc1Cl ZINC000409136474 558864369 /nfs/dbraw/zinc/86/43/69/558864369.db2.gz ZDCAQTMNGLDTSY-UHFFFAOYSA-N 0 0 417.130 5.644 40 0 HKABRN Cc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 ZINC000409136547 560682482 /nfs/dbraw/zinc/68/24/82/560682482.db2.gz VASNAOJOLFEOAU-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN CCCN1C(=O)S/C(=C\c2cn(Cc3ccccc3F)c3c2cccc3CC)C1=O ZINC000409136589 558864435 /nfs/dbraw/zinc/86/44/35/558864435.db2.gz XPZMMTUBCVSPSA-BKUYFWCQSA-N 0 0 422.525 5.837 40 0 HKABRN Cc1cccc(-n2cccc2/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1 ZINC000409136629 560682496 /nfs/dbraw/zinc/68/24/96/560682496.db2.gz SEZCLDBXDGOYNH-OQKWZONESA-N 0 0 402.519 5.455 40 0 HKABRN O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1CCCc1ccccc1 ZINC000409136712 560682533 /nfs/dbraw/zinc/68/25/33/560682533.db2.gz UQPVEISGYRNYBC-PTGBLXJZSA-N 0 0 415.514 6.148 40 0 HKABRN CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Cl ZINC000409136842 558864673 /nfs/dbraw/zinc/86/46/73/558864673.db2.gz ZYOOFLHCOJQRDA-MHWRWJLKSA-N 0 0 414.354 6.009 40 0 HKABRN CCc1ccccc1NCc1cc(Br)ccc1OCc1cccc(F)c1 ZINC000409136877 560682556 /nfs/dbraw/zinc/68/25/56/560682556.db2.gz VIQBNBPKYAOZAU-UHFFFAOYSA-N 0 0 414.318 6.342 40 0 HKABRN O=C1S/C(=C/c2cc(Br)cs2)C(=O)N1CCCc1ccccc1 ZINC000409136946 560682543 /nfs/dbraw/zinc/68/25/43/560682543.db2.gz VQGPOYNOTFGHCY-XNTDXEJSSA-N 0 0 408.342 5.180 40 0 HKABRN CCOc1cc(CNc2ccccc2CC)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409136969 558865195 /nfs/dbraw/zinc/86/51/95/558865195.db2.gz VWDMADZATMITJU-UHFFFAOYSA-N 0 0 413.920 6.631 40 0 HKABRN CCCCN1C(=O)S/C(=C\c2cn(Cc3ccccc3)c3c2cccc3CC)C1=O ZINC000409136989 560682542 /nfs/dbraw/zinc/68/25/42/560682542.db2.gz ZIPPOPHCGJAPCB-JCMHNJIXSA-N 0 0 418.562 6.088 40 0 HKABRN O=C1Nc2ccccc2/C1=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000409137005 558865230 /nfs/dbraw/zinc/86/52/30/558865230.db2.gz VZDCYNUJRXQNFD-UYRXBGFRSA-N 0 0 406.279 5.521 40 0 HKABRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o2)ccc1Br ZINC000409137047 560682571 /nfs/dbraw/zinc/68/25/71/560682571.db2.gz WDKPAEMFQGLWAH-SXGWCWSVSA-N 0 0 406.301 5.462 40 0 HKABRN Cc1ccccc1NCc1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000409137055 558865419 /nfs/dbraw/zinc/86/54/19/558865419.db2.gz WEJUULLKVRCMQK-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN CC(C)N1C(=O)S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C1=O ZINC000409137080 558865235 /nfs/dbraw/zinc/86/52/35/558865235.db2.gz ZXFSETCHJQZPCT-STZFKDTASA-N 0 0 406.507 5.165 40 0 HKABRN Cc1ccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1C ZINC000409137099 558865405 /nfs/dbraw/zinc/86/54/05/558865405.db2.gz WIURTUAIVJOEBT-UHFFFAOYSA-N 0 0 404.312 6.940 40 0 HKABRN O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1CCCc1ccccc1 ZINC000409137171 560682678 /nfs/dbraw/zinc/68/26/78/560682678.db2.gz VLTZJNOCVIMATD-GHRIWEEISA-N 0 0 402.313 5.118 40 0 HKABRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1CC1CCCCC1 ZINC000409137278 560682668 /nfs/dbraw/zinc/68/26/68/560682668.db2.gz WLHZVORSKGWYEA-XDHOZWIPSA-N 0 0 401.915 6.217 40 0 HKABRN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)c2ccccc21 ZINC000409137397 558868831 /nfs/dbraw/zinc/86/88/31/558868831.db2.gz WZURQHYUOCVTFH-STZFKDTASA-N 0 0 403.453 5.320 40 0 HKABRN CCc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 ZINC000409137478 558871589 /nfs/dbraw/zinc/87/15/89/558871589.db2.gz XPVHIVQASIEQJV-UHFFFAOYSA-N 0 0 416.348 6.756 40 0 HKABRN Cc1c(Cl)cccc1NCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000409137563 560682807 /nfs/dbraw/zinc/68/28/07/560682807.db2.gz YDLICCFLQZYNEW-UHFFFAOYSA-N 0 0 405.900 7.132 40 0 HKABRN Cc1ccc(-n2cccc2/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)c1 ZINC000409137779 558889213 /nfs/dbraw/zinc/88/92/13/558889213.db2.gz YRWICNWYJFEUSM-HAVVHWLPSA-N 0 0 416.546 5.763 40 0 HKABRN COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Cl)c1OC(C)C ZINC000409137781 560682800 /nfs/dbraw/zinc/68/28/00/560682800.db2.gz XVCJNGFLLLITSN-WOJGMQOQSA-N 0 0 423.962 5.752 40 0 HKABRN COCCN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C1=O ZINC000409137983 560682793 /nfs/dbraw/zinc/68/27/93/560682793.db2.gz XWVZRTKSJDIPJG-GXDHUFHOSA-N 0 0 411.957 5.235 40 0 HKABRN O=C1S/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N1CCCc1ccccc1 ZINC000409138196 558889678 /nfs/dbraw/zinc/88/96/78/558889678.db2.gz ZKXJUWNIHMYYTG-LTGZKZEYSA-N 0 0 422.937 5.800 40 0 HKABRN CCN1C(=O)S/C(=C\c2cn(CCCOc3ccccc3C)c3ccccc23)C1=O ZINC000409138201 560682867 /nfs/dbraw/zinc/68/28/67/560682867.db2.gz ZLTQIXDMYGRGAT-JCMHNJIXSA-N 0 0 420.534 5.475 40 0 HKABRN Cc1ccc(N2C(=O)S/C(=C\c3c[nH]c4ccc(Br)cc34)C2=O)cc1 ZINC000409138269 560682819 /nfs/dbraw/zinc/68/28/19/560682819.db2.gz ZGJGDBUOAWNXLY-IUXPMGMMSA-N 0 0 413.296 5.480 40 0 HKABRN Cc1ccc(-n2cccc2/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1 ZINC000409138385 560682876 /nfs/dbraw/zinc/68/28/76/560682876.db2.gz AXZXYEZNZZVVHN-OQKWZONESA-N 0 0 402.519 5.455 40 0 HKABRN CCCN1C(=O)S/C(=C\c2cn(Cc3ccc(F)cc3)c3c2cccc3CC)C1=O ZINC000409138431 558889348 /nfs/dbraw/zinc/88/93/48/558889348.db2.gz BQDHQBYRZLYYNZ-BKUYFWCQSA-N 0 0 422.525 5.837 40 0 HKABRN COCCN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)C1=O ZINC000409138926 560682998 /nfs/dbraw/zinc/68/29/98/560682998.db2.gz JYVABUOSAUZBFM-PXLXIMEGSA-N 0 0 419.502 5.102 40 0 HKABRN CCc1cccc2c(C=C3SC(=O)N(CC(=O)c4ccc(Cl)cc4)C3=O)c[nH]c21 ZINC000409138934 560683007 /nfs/dbraw/zinc/68/30/07/560683007.db2.gz KCJGVCFTERYZGB-GRSHGNNSSA-N 0 0 424.909 5.303 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Cl)c1O ZINC000409139076 560682988 /nfs/dbraw/zinc/68/29/88/560682988.db2.gz MCBLYFHTRJNJMY-QGOAFFKASA-N 0 0 417.914 5.113 40 0 HKABRN O=C1S/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)N1CCCc1ccccc1 ZINC000409139116 560682962 /nfs/dbraw/zinc/68/29/62/560682962.db2.gz ABUZJBRAVNMHTO-LVZFUZTISA-N 0 0 410.539 5.329 40 0 HKABRN CCN1C(=O)S/C(=C\c2cn(CCCOc3ccccc3)c3ccccc23)C1=O ZINC000409139165 560683203 /nfs/dbraw/zinc/68/32/03/560683203.db2.gz ASTJJINNWAFVOL-QNGOZBTKSA-N 0 0 406.507 5.167 40 0 HKABRN O=C1S[C@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000409139216 560683180 /nfs/dbraw/zinc/68/31/80/560683180.db2.gz BPIOLAPVLPYWTF-JOCHJYFZSA-N 0 0 421.493 5.211 40 0 HKABRN O=C1S[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000409139217 560683142 /nfs/dbraw/zinc/68/31/42/560683142.db2.gz BPIOLAPVLPYWTF-QFIPXVFZSA-N 0 0 421.493 5.211 40 0 HKABRN CCOc1cc(C)c(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1C(C)C ZINC000409139336 560683148 /nfs/dbraw/zinc/68/31/48/560683148.db2.gz MZWURKJIBVOWED-FYJGNVAPSA-N 0 0 401.572 6.134 40 0 HKABRN COc1c(Cl)cc(Cl)cc1C[C@@H]1SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000409139361 558889397 /nfs/dbraw/zinc/88/93/97/558889397.db2.gz DAFMZADCRQKUMW-AWEZNQCLSA-N 0 0 416.713 5.467 40 0 HKABRN COc1c(Cl)cc(Cl)cc1C[C@H]1SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000409139365 558889405 /nfs/dbraw/zinc/88/94/05/558889405.db2.gz DAFMZADCRQKUMW-CQSZACIVSA-N 0 0 416.713 5.467 40 0 HKABRN CC(C)Cn1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21 ZINC000409139959 558889802 /nfs/dbraw/zinc/88/98/02/558889802.db2.gz PIZMNMCCRYSKCW-NHDPSOOVSA-N 0 0 408.498 5.673 40 0 HKABRN CC(C)Cn1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c2ccccc21 ZINC000409140080 560683315 /nfs/dbraw/zinc/68/33/15/560683315.db2.gz PUKXGHRFOJLHNY-UUYOSTAYSA-N 0 0 418.518 5.217 40 0 HKABRN CCCN1C(=O)S/C(=C\c2cn(Cc3ccccc3)c3c2cccc3CC)C1=O ZINC000409140124 558889750 /nfs/dbraw/zinc/88/97/50/558889750.db2.gz QAFYULJGYXUQEM-STZFKDTASA-N 0 0 404.535 5.698 40 0 HKABRN Cc1ccc(COc2ccccc2/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 ZINC000409140431 558889835 /nfs/dbraw/zinc/88/98/35/558889835.db2.gz DORRQVFVWJUDET-HZHRSRAPSA-N 0 0 421.562 6.191 40 0 HKABRN O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1CC1CCCCC1 ZINC000409140894 558889797 /nfs/dbraw/zinc/88/97/97/558889797.db2.gz FNBWFIGKGGRIRQ-PXLXIMEGSA-N 0 0 407.535 5.882 40 0 HKABRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c(C)n1C1CCCC1 ZINC000409141741 560683484 /nfs/dbraw/zinc/68/34/84/560683484.db2.gz WOEGZCWNTTUBSQ-BKUYFWCQSA-N 0 0 408.523 5.139 40 0 HKABRN O=C1S[C@H](Cc2ccc(OCc3ccccc3F)cc2)C(=O)N1Cc1ccccc1 ZINC000409141891 558889606 /nfs/dbraw/zinc/88/96/06/558889606.db2.gz CCBDURQVHSYQPF-JOCHJYFZSA-N 0 0 421.493 5.211 40 0 HKABRN O=C1S[C@@H](Cc2ccc(OCc3ccccc3F)cc2)C(=O)N1Cc1ccccc1 ZINC000409141894 558889568 /nfs/dbraw/zinc/88/95/68/558889568.db2.gz CCBDURQVHSYQPF-QFIPXVFZSA-N 0 0 421.493 5.211 40 0 HKABRN CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC2CCCCC2)C1=O ZINC000409142295 558889603 /nfs/dbraw/zinc/88/96/03/558889603.db2.gz XXIDOJUVMLQGIJ-GZTJUZNOSA-N 0 0 424.360 5.464 40 0 HKABRN CCN1C(=O)S/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C1=O ZINC000409142578 558890074 /nfs/dbraw/zinc/89/00/74/558890074.db2.gz AJNJTVAFRNNPNM-GRSHGNNSSA-N 0 0 414.889 5.538 40 0 HKABRN O=C1S[C@H](Cc2ccccc2OCc2ccccc2F)C(=O)N1Cc1ccccc1 ZINC000409142590 558890096 /nfs/dbraw/zinc/89/00/96/558890096.db2.gz DVCPDNLRKYKFJC-JOCHJYFZSA-N 0 0 421.493 5.211 40 0 HKABRN O=C1S[C@@H](Cc2ccccc2OCc2ccccc2F)C(=O)N1Cc1ccccc1 ZINC000409142594 558890068 /nfs/dbraw/zinc/89/00/68/558890068.db2.gz DVCPDNLRKYKFJC-QFIPXVFZSA-N 0 0 421.493 5.211 40 0 HKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)/C(=C/c2ccco2)c2ccccc2)CC1 ZINC000409142673 560684127 /nfs/dbraw/zinc/68/41/27/560684127.db2.gz ARSTZUDFSRRKHN-OQKWZONESA-N 0 0 406.913 5.131 40 0 HKABRN O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1CCCc1ccccc1 ZINC000409142839 558890081 /nfs/dbraw/zinc/89/00/81/558890081.db2.gz BOWSXAGJDMMBBD-GHRIWEEISA-N 0 0 402.313 5.118 40 0 HKABRN O=C1S/C(=C\c2ccccc2Sc2ccccc2)C(=O)N1CC1CCCCC1 ZINC000409143542 558890039 /nfs/dbraw/zinc/89/00/39/558890039.db2.gz MQQQJEQMTFBART-QNGOZBTKSA-N 0 0 409.576 6.454 40 0 HKABRN O=C1S/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N1CCCc1ccccc1 ZINC000409143613 558890054 /nfs/dbraw/zinc/89/00/54/558890054.db2.gz MTOHSCHGNDVQBM-CAPFRKAQSA-N 0 0 421.543 6.100 40 0 HKABRN O=C1NC(=O)C(=Cc2cn(CCCOc3ccccc3Cl)c3ccccc23)S1 ZINC000409143645 560684244 /nfs/dbraw/zinc/68/42/44/560684244.db2.gz DDOTXVFKLKFQBV-UNOMPAQXSA-N 0 0 412.898 5.088 40 0 HKABRN CCc1cccc2c(/C=C3\SC(=O)N(CC)C3=O)cn(Cc3ccccc3Cl)c21 ZINC000409143974 558890311 /nfs/dbraw/zinc/89/03/11/558890311.db2.gz OVGHMVFFCKEEHP-NDENLUEZSA-N 0 0 424.953 5.962 40 0 HKABRN Cc1ccc(-n2cccc2/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Cl ZINC000409144047 558890213 /nfs/dbraw/zinc/89/02/13/558890213.db2.gz NVSYSGLOWOHAEN-DEDYPNTBSA-N 0 0 414.958 6.056 40 0 HKABRN COc1c(Cl)cc(Cl)cc1C[C@@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409144531 558890473 /nfs/dbraw/zinc/89/04/73/558890473.db2.gz KOLSDOKMKCZLTM-AWEZNQCLSA-N 0 0 416.713 5.467 40 0 HKABRN COc1c(Cl)cc(Cl)cc1C[C@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409144534 560684421 /nfs/dbraw/zinc/68/44/21/560684421.db2.gz KOLSDOKMKCZLTM-CQSZACIVSA-N 0 0 416.713 5.467 40 0 HKABRN CCOc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(OCC)c1 ZINC000409145672 558891107 /nfs/dbraw/zinc/89/11/07/558891107.db2.gz JBEOQWGBCPGWGF-RCCKNPSSSA-N 0 0 411.523 5.153 40 0 HKABRN O=C1S/C(=C/c2ccc(Br)s2)C(=O)N1CCCc1ccccc1 ZINC000409145732 558891167 /nfs/dbraw/zinc/89/11/67/558891167.db2.gz JCRAHKCPOUOHEF-SDNWHVSQSA-N 0 0 408.342 5.180 40 0 HKABRN CCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Br)c(C)c3)o2)C1=O ZINC000409145891 558891165 /nfs/dbraw/zinc/89/11/65/558891165.db2.gz RDBQKOPUNMRCFO-BOPFTXTBSA-N 0 0 420.328 5.854 40 0 HKABRN Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1C1CCCC1 ZINC000409146198 558891130 /nfs/dbraw/zinc/89/11/30/558891130.db2.gz SBGKDJCFROYQCD-ODLFYWEKSA-N 0 0 400.931 6.114 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Cl)c1OCC ZINC000409146216 558891111 /nfs/dbraw/zinc/89/11/11/558891111.db2.gz RRCGDDADBFGFSB-LDADJPATSA-N 0 0 423.962 5.754 40 0 HKABRN CC(C)Cn1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c2ccccc21 ZINC000409146485 558891116 /nfs/dbraw/zinc/89/11/16/558891116.db2.gz UJDXVZDJPKSKIS-NHDPSOOVSA-N 0 0 424.953 6.187 40 0 HKABRN CCOc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(Cl)cc1 ZINC000409146753 560684750 /nfs/dbraw/zinc/68/47/50/560684750.db2.gz UJLUYEXGKVCMOF-HSZRJFAPSA-N 0 0 424.953 6.015 40 0 HKABRN CCOc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(Cl)cc1 ZINC000409146754 558891185 /nfs/dbraw/zinc/89/11/85/558891185.db2.gz UJLUYEXGKVCMOF-QHCPKHFHSA-N 0 0 424.953 6.015 40 0 HKABRN CCOc1cc(Cl)c(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OC ZINC000409146839 560684791 /nfs/dbraw/zinc/68/47/91/560684791.db2.gz UDUXAUDJPFLGGD-VCHYOVAHSA-N 0 0 409.935 5.364 40 0 HKABRN COCCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C1=O ZINC000409147048 560683581 /nfs/dbraw/zinc/68/35/81/560683581.db2.gz UMNKVPRNRZBJOO-PXLXIMEGSA-N 0 0 419.502 5.102 40 0 HKABRN COCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O ZINC000409147902 560683742 /nfs/dbraw/zinc/68/37/42/560683742.db2.gz WJYOZBMWPQXQAF-PXLXIMEGSA-N 0 0 419.502 5.102 40 0 HKABRN COc1ccc(Br)cc1/C=C1/SC(=O)N(CC2CCCCC2)C1=O ZINC000409148003 560683764 /nfs/dbraw/zinc/68/37/64/560683764.db2.gz XPPASLFFUJDWRG-MHWRWJLKSA-N 0 0 410.333 5.074 40 0 HKABRN CCOc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Br ZINC000409148231 560683741 /nfs/dbraw/zinc/68/37/41/560683741.db2.gz YOJKAAPKIQCUQI-GZTJUZNOSA-N 0 0 424.360 5.464 40 0 HKABRN O=C1S/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N1CC1CCCCC1 ZINC000409148310 558891779 /nfs/dbraw/zinc/89/17/79/558891779.db2.gz YHVHDBNEARYYFM-CPNJWEJPSA-N 0 0 400.931 5.747 40 0 HKABRN CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CCCc2ccccc2)C1=O ZINC000409148485 558892071 /nfs/dbraw/zinc/89/20/71/558892071.db2.gz PYAIVFFFKSCOPY-HAVVHWLPSA-N 0 0 417.530 5.908 40 0 HKABRN CC(C)N1C(=O)S/C(=C\c2cn(CCCOc3ccccc3)c3ccccc23)C1=O ZINC000409148756 560683862 /nfs/dbraw/zinc/68/38/62/560683862.db2.gz RGKRJHDNJSFHDO-JCMHNJIXSA-N 0 0 420.534 5.555 40 0 HKABRN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1C1CC1 ZINC000409148943 560683882 /nfs/dbraw/zinc/68/38/82/560683882.db2.gz UUHOIHHADIFAMA-NVMNQCDNSA-N 0 0 421.349 5.983 40 0 HKABRN O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1CC1CCCCC1 ZINC000409149015 560683872 /nfs/dbraw/zinc/68/38/72/560683872.db2.gz VXEYEZRRVLSIOY-XDHOZWIPSA-N 0 0 401.915 6.217 40 0 HKABRN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1cccnc1 ZINC000409149092 558892007 /nfs/dbraw/zinc/89/20/07/558892007.db2.gz XEVOOIMAKVSGHC-PXLXIMEGSA-N 0 0 417.534 5.158 40 0 HKABRN CCc1cccc2c(C=C3SC(=O)NC3=O)cn(Cc3c(F)cccc3Cl)c21 ZINC000409149166 560683943 /nfs/dbraw/zinc/68/39/43/560683943.db2.gz YJVYASZEXSJSLQ-NVMNQCDNSA-N 0 0 414.889 5.368 40 0 HKABRN CC(C)Oc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1Cl ZINC000409149263 558892418 /nfs/dbraw/zinc/89/24/18/558892418.db2.gz ZWQTUBWUZFDPSU-XSFVSMFZSA-N 0 0 415.942 5.796 40 0 HKABRN O=C1S[C@H](Cc2ccccc2OCc2ccccc2)C(=O)N1Cc1ccccc1 ZINC000409149662 558892228 /nfs/dbraw/zinc/89/22/28/558892228.db2.gz MOYYIXGUYPFHPV-JOCHJYFZSA-N 0 0 403.503 5.072 40 0 HKABRN O=C1S[C@@H](Cc2ccccc2OCc2ccccc2)C(=O)N1Cc1ccccc1 ZINC000409149663 558892176 /nfs/dbraw/zinc/89/21/76/558892176.db2.gz MOYYIXGUYPFHPV-QFIPXVFZSA-N 0 0 403.503 5.072 40 0 HKABRN Cc1ccc(OCc2nn(CC(=O)Nc3cccc(Cl)c3Cl)c(=S)o2)cc1 ZINC000409150280 558892932 /nfs/dbraw/zinc/89/29/32/558892932.db2.gz BDFBOVJALHXFMQ-UHFFFAOYSA-N 0 0 424.309 5.039 40 0 HKABRN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)o1 ZINC000409150612 560684037 /nfs/dbraw/zinc/68/40/37/560684037.db2.gz CXSHZKIOYDCJCG-UHFFFAOYSA-N 0 0 419.506 5.149 40 0 HKABRN O=C1S/C(=C/c2ccccc2Cl)C(=O)N1Cc1cccc(Br)c1 ZINC000409150682 560684074 /nfs/dbraw/zinc/68/40/74/560684074.db2.gz DMMXLATXCDTDGW-OQLLNIDSSA-N 0 0 408.704 5.339 40 0 HKABRN CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2cccc(Br)c2)C1=O ZINC000409151741 558893297 /nfs/dbraw/zinc/89/32/97/558893297.db2.gz BZDIBNSPWVSTPX-HIMLSBAZSA-N 0 0 414.324 5.632 40 0 HKABRN CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccccc1Cl ZINC000409152323 558893903 /nfs/dbraw/zinc/89/39/03/558893903.db2.gz AVHZFRYEFGMUQH-UHFFFAOYSA-N 0 0 421.353 5.311 40 0 HKABRN O=C(CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O)Nc1ccc(Cl)cc1 ZINC000409152659 558893687 /nfs/dbraw/zinc/89/36/87/558893687.db2.gz KVTLZVDYWPUVKQ-XDHOZWIPSA-N 0 0 422.893 5.168 40 0 HKABRN O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1Cc1cccc(Br)c1 ZINC000409152666 558893707 /nfs/dbraw/zinc/89/37/07/558893707.db2.gz FYIIEBQQASOPRZ-OQLLNIDSSA-N 0 0 408.704 5.339 40 0 HKABRN Cc1cccc(OCc2nn(CC(=O)Nc3ccc(Cl)cc3Cl)c(=S)o2)c1 ZINC000409153667 560685133 /nfs/dbraw/zinc/68/51/33/560685133.db2.gz IKQLNGZBYZXSHS-UHFFFAOYSA-N 0 0 424.309 5.039 40 0 HKABRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O ZINC000409153677 560685162 /nfs/dbraw/zinc/68/51/62/560685162.db2.gz ILTHNCCEHURULM-DEDYPNTBSA-N 0 0 416.502 5.132 40 0 HKABRN Cc1c(F)cccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000409153992 558895038 /nfs/dbraw/zinc/89/50/38/558895038.db2.gz NERJATSRGVTGOL-UHFFFAOYSA-N 0 0 412.273 5.222 40 0 HKABRN CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccc(C)cc1 ZINC000409154889 558896249 /nfs/dbraw/zinc/89/62/49/558896249.db2.gz LCFVVJXVKUWKLD-UHFFFAOYSA-N 0 0 402.523 5.157 40 0 HKABRN Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)o2)cc1C ZINC000409154982 560685274 /nfs/dbraw/zinc/68/52/74/560685274.db2.gz PQDRKVOFLAQHIC-UHFFFAOYSA-N 0 0 411.527 5.120 40 0 HKABRN CC(C)c1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 ZINC000409154995 560685283 /nfs/dbraw/zinc/68/52/83/560685283.db2.gz PFIALEQFYAXYDV-WOJGMQOQSA-N 0 0 416.340 5.809 40 0 HKABRN Cc1ccccc1OCc1nn(CC(=O)Nc2cccc(Cl)c2Cl)c(=S)o1 ZINC000409155479 558895815 /nfs/dbraw/zinc/89/58/15/558895815.db2.gz RHWOSABYOONJGS-UHFFFAOYSA-N 0 0 424.309 5.039 40 0 HKABRN Cc1ccc(OCc2nn(CC(=O)Nc3ccc(Cl)c(Cl)c3)c(=S)o2)cc1 ZINC000409156059 560685483 /nfs/dbraw/zinc/68/54/83/560685483.db2.gz KERROSOBFDNKKO-UHFFFAOYSA-N 0 0 424.309 5.039 40 0 HKABRN O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1cccc(Br)c1 ZINC000409156442 560685417 /nfs/dbraw/zinc/68/54/17/560685417.db2.gz NTEZPJMIAGYBDE-OVCLIPMQSA-N 0 0 424.703 5.045 40 0 HKABRN Cc1cccc(OCc2nn(CC(=O)Nc3cccc(Cl)c3Cl)c(=S)o2)c1 ZINC000409156616 558896734 /nfs/dbraw/zinc/89/67/34/558896734.db2.gz LAIIRBLCZIUDPW-UHFFFAOYSA-N 0 0 424.309 5.039 40 0 HKABRN O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1Cc1cccc(Br)c1 ZINC000409156876 558896691 /nfs/dbraw/zinc/89/66/91/558896691.db2.gz HEINBJDGYIALGI-RQZCQDPDSA-N 0 0 413.296 5.167 40 0 HKABRN Cc1ccc(-c2csc(NC(=O)Cn3nc(-c4ccc(C)cc4)oc3=S)n2)cc1 ZINC000409157605 558896971 /nfs/dbraw/zinc/89/69/71/558896971.db2.gz RHKBBLGVKDCFCO-UHFFFAOYSA-N 0 0 422.535 5.252 40 0 HKABRN Cc1ccccc1OCc1nn(CC(=O)Nc2ccc(Cl)cc2Cl)c(=S)o1 ZINC000409158044 558904008 /nfs/dbraw/zinc/90/40/08/558904008.db2.gz XGZGNOUVCIYDQW-UHFFFAOYSA-N 0 0 424.309 5.039 40 0 HKABRN CCOc1ccccc1/C=C1/SC(=O)N(Cc2cccc(Br)c2)C1=O ZINC000409158340 560684847 /nfs/dbraw/zinc/68/48/47/560684847.db2.gz OKHNXFGXRRMXGD-GZTJUZNOSA-N 0 0 418.312 5.084 40 0 HKABRN Cc1cccc(OCc2nn(CC(=O)Nc3ccc(Cl)c(Cl)c3)c(=S)o2)c1 ZINC000409158507 558932434 /nfs/dbraw/zinc/93/24/34/558932434.db2.gz XNRAQEGPXHTEFU-UHFFFAOYSA-N 0 0 424.309 5.039 40 0 HKABRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(C(C)C)cc2)C1=O ZINC000409159411 558984230 /nfs/dbraw/zinc/98/42/30/558984230.db2.gz ZUBNJRVYJSCXSA-XDHOZWIPSA-N 0 0 408.523 5.102 40 0 HKABRN Cc1ccc(OCc2nn(CC(=O)Nc3cc(Cl)cc(Cl)c3)c(=S)o2)cc1 ZINC000409159738 560684959 /nfs/dbraw/zinc/68/49/59/560684959.db2.gz WVCRCBKYUGTHDA-UHFFFAOYSA-N 0 0 424.309 5.039 40 0 HKABRN O=C(CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O)Nc1cccc(Cl)c1 ZINC000409160888 558985224 /nfs/dbraw/zinc/98/52/24/558985224.db2.gz XSYCYTXGJJXCSZ-YBFXNURJSA-N 0 0 422.893 5.168 40 0 HKABRN Cc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 ZINC000409161011 558985374 /nfs/dbraw/zinc/98/53/74/558985374.db2.gz SHGXOIPPADPZDF-UHFFFAOYSA-N 0 0 411.527 5.120 40 0 HKABRN O=C1S[C@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccccc1 ZINC000409161220 560685340 /nfs/dbraw/zinc/68/53/40/560685340.db2.gz KZWNSHYFVOPNKU-JOCHJYFZSA-N 0 0 403.503 5.072 40 0 HKABRN O=C1S[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccccc1 ZINC000409161222 558985597 /nfs/dbraw/zinc/98/55/97/558985597.db2.gz KZWNSHYFVOPNKU-QFIPXVFZSA-N 0 0 403.503 5.072 40 0 HKABRN O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1cccc(Br)c1 ZINC000409163122 560685851 /nfs/dbraw/zinc/68/58/51/560685851.db2.gz MCBHUBLWGABAHU-OQLLNIDSSA-N 0 0 408.704 5.339 40 0 HKABRN CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1Cl ZINC000409164075 558987717 /nfs/dbraw/zinc/98/77/17/558987717.db2.gz CDXTWBBERKBLCV-UHFFFAOYSA-N 0 0 422.941 5.502 40 0 HKABRN CCc1ccccc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 ZINC000409164473 558987879 /nfs/dbraw/zinc/98/78/79/558987879.db2.gz JBYNNPADOOZSEJ-UHFFFAOYSA-N 0 0 411.527 5.065 40 0 HKABRN Cc1ccccc1OCc1nn(CC(=O)Nc2ccc(Cl)c(Cl)c2)c(=S)o1 ZINC000409164636 558988082 /nfs/dbraw/zinc/98/80/82/558988082.db2.gz LIKKHNIRZBRBNB-UHFFFAOYSA-N 0 0 424.309 5.039 40 0 HKABRN Cc1sc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)nc1-c1ccccc1 ZINC000409164726 558988040 /nfs/dbraw/zinc/98/80/40/558988040.db2.gz MVQRJDFAXRHKRG-UHFFFAOYSA-N 0 0 422.535 5.208 40 0 HKABRN Cc1ccc(-c2nn(CC(=O)N(C3CCCCC3)C3CCCCC3)c(=S)o2)cc1 ZINC000409165719 560686104 /nfs/dbraw/zinc/68/61/04/560686104.db2.gz BAHYBLPQLBWWKG-UHFFFAOYSA-N 0 0 413.587 5.675 40 0 HKABRN Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000409165947 558988597 /nfs/dbraw/zinc/98/85/97/558988597.db2.gz BJBKFYAGFOLQEV-UHFFFAOYSA-N 0 0 418.562 5.088 40 0 HKABRN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccccc2C(C)C)o1 ZINC000409166122 560686172 /nfs/dbraw/zinc/68/61/72/560686172.db2.gz CQLPEPXNZPJZIK-UHFFFAOYSA-N 0 0 411.527 5.120 40 0 HKABRN Cc1ccc(OCc2nn(CC(=O)Nc3cc(Cl)ccc3Cl)c(=S)o2)cc1 ZINC000409166199 560686151 /nfs/dbraw/zinc/68/61/51/560686151.db2.gz CQRXGUGVCCTFFY-UHFFFAOYSA-N 0 0 424.309 5.039 40 0 HKABRN O=C1NC(=Cc2ccccc2OCc2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409166312 558988733 /nfs/dbraw/zinc/98/87/33/558988733.db2.gz DIHVZHPVLLNHOZ-XSFVSMFZSA-N 0 0 404.853 5.016 40 0 HKABRN O=C1NC(=Cc2ccccc2OCc2cccc(F)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409166461 560686193 /nfs/dbraw/zinc/68/61/93/560686193.db2.gz FZUYGPFTDNWSIU-DEDYPNTBSA-N 0 0 422.843 5.155 40 0 HKABRN Cc1cccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)o2)c1C ZINC000409166548 560686148 /nfs/dbraw/zinc/68/61/48/560686148.db2.gz FFVCYQJNKKVCBG-UHFFFAOYSA-N 0 0 411.527 5.120 40 0 HKABRN O=C1NC(=Cc2ccc(OCc3ccccc3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409166918 560686313 /nfs/dbraw/zinc/68/63/13/560686313.db2.gz HKUPVJRZZVYRKR-KGENOOAVSA-N 0 0 404.853 5.016 40 0 HKABRN O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000409167768 560686341 /nfs/dbraw/zinc/68/63/41/560686341.db2.gz MYUNDHVTTFOMMV-UHFFFAOYSA-N 0 0 416.373 6.324 40 0 HKABRN CCc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)o2)cc1 ZINC000409168209 560686417 /nfs/dbraw/zinc/68/64/17/560686417.db2.gz LIPJGYRYXOUMAH-UHFFFAOYSA-N 0 0 411.527 5.065 40 0 HKABRN Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000409168267 558989281 /nfs/dbraw/zinc/98/92/81/558989281.db2.gz PKXKWSJOOUITPQ-UHFFFAOYSA-N 0 0 404.535 5.046 40 0 HKABRN Cc1ccc(SCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000409168331 560686405 /nfs/dbraw/zinc/68/64/05/560686405.db2.gz QJYMEKHMKQMTOW-UHFFFAOYSA-N 0 0 400.396 5.444 40 0 HKABRN Cc1ccc(OCc2nn(CC(=O)Nc3ccc(Cl)cc3Cl)c(=S)o2)cc1 ZINC000409168496 558989302 /nfs/dbraw/zinc/98/93/02/558989302.db2.gz LQEFUJLFEJGEQG-UHFFFAOYSA-N 0 0 424.309 5.039 40 0 HKABRN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000409168910 560686425 /nfs/dbraw/zinc/68/64/25/560686425.db2.gz NMZREASGCSTXRY-UHFFFAOYSA-N 0 0 422.337 5.898 40 0 HKABRN Cc1cccc(OCc2nn(CC(=O)Nc3cc(Cl)ccc3Cl)c(=S)o2)c1 ZINC000409169256 560686496 /nfs/dbraw/zinc/68/64/96/560686496.db2.gz PBOACVHBJUHDCB-UHFFFAOYSA-N 0 0 424.309 5.039 40 0 HKABRN Cc1ccc(C)c(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)o2)c1 ZINC000409169535 558990153 /nfs/dbraw/zinc/99/01/53/558990153.db2.gz RLKIHOHAOOIMBJ-UHFFFAOYSA-N 0 0 411.527 5.120 40 0 HKABRN Cc1ccccc1OCc1nn(CC(=O)Nc2cc(Cl)ccc2Cl)c(=S)o1 ZINC000409169833 560685648 /nfs/dbraw/zinc/68/56/48/560685648.db2.gz SCMJLEPQBOAQSP-UHFFFAOYSA-N 0 0 424.309 5.039 40 0 HKABRN Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)o2)c(C)c1 ZINC000409169978 560685638 /nfs/dbraw/zinc/68/56/38/560685638.db2.gz SCNDOTMYLSZFJO-UHFFFAOYSA-N 0 0 411.527 5.120 40 0 HKABRN CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccccc1 ZINC000409170141 560685633 /nfs/dbraw/zinc/68/56/33/560685633.db2.gz SQJKBKUVKGFCQN-UHFFFAOYSA-N 0 0 424.570 5.040 40 0 HKABRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/C(C)=C/c3ccccc3)C2=O)c1 ZINC000409170703 558991447 /nfs/dbraw/zinc/99/14/47/558991447.db2.gz WXASGOSCYAAGLA-RRRJGDELSA-N 0 0 424.547 5.030 40 0 HKABRN Cc1cccc(OCc2nn(CC(=O)Nc3cc(Cl)cc(Cl)c3)c(=S)o2)c1 ZINC000409171191 560686511 /nfs/dbraw/zinc/68/65/11/560686511.db2.gz YOZBIFFATYKXOJ-UHFFFAOYSA-N 0 0 424.309 5.039 40 0 HKABRN CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 ZINC000409171193 560686528 /nfs/dbraw/zinc/68/65/28/560686528.db2.gz YQAVIVWFYMGBNL-GZTJUZNOSA-N 0 0 418.312 5.084 40 0 HKABRN Cc1cc(NC(=O)CSCc2c(Cl)cccc2Cl)ccc1Br ZINC000409171418 560686477 /nfs/dbraw/zinc/68/64/77/560686477.db2.gz AYPBISBQARZAEW-UHFFFAOYSA-N 0 0 419.171 5.936 40 0 HKABRN Cc1cccc(COc2ccc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1 ZINC000409171593 558991770 /nfs/dbraw/zinc/99/17/70/558991770.db2.gz AMLAODMUJZCKMX-HYARGMPZSA-N 0 0 418.880 5.325 40 0 HKABRN CCOc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409171605 560686480 /nfs/dbraw/zinc/68/64/80/560686480.db2.gz ASOIPUCQAUECRG-UHFFFAOYSA-N 0 0 416.348 6.892 40 0 HKABRN CCC(=O)Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000409171636 560686504 /nfs/dbraw/zinc/68/65/04/560686504.db2.gz BPTYXFJRUONSCJ-HSZRJFAPSA-N 0 0 421.880 5.470 40 0 HKABRN CCC(=O)Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000409171637 560686531 /nfs/dbraw/zinc/68/65/31/560686531.db2.gz BPTYXFJRUONSCJ-QHCPKHFHSA-N 0 0 421.880 5.470 40 0 HKABRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2ccccc2F)cc1 ZINC000409171639 560686502 /nfs/dbraw/zinc/68/65/02/560686502.db2.gz BRCMCRHPEFPHSY-HHHXNRCGSA-N 0 0 422.503 6.500 40 0 HKABRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2ccccc2F)cc1 ZINC000409171640 560686526 /nfs/dbraw/zinc/68/65/26/560686526.db2.gz BRCMCRHPEFPHSY-MHZLTWQESA-N 0 0 422.503 6.500 40 0 HKABRN O=C(CSCc1c(Cl)cccc1Cl)NCCSc1ccc(Cl)cc1 ZINC000409171729 560686672 /nfs/dbraw/zinc/68/66/72/560686672.db2.gz FZXPZYGRBMPITG-UHFFFAOYSA-N 0 0 420.814 5.789 40 0 HKABRN Cc1cc(Br)c(NC(=O)CSc2cccc3ccccc32)cc1C ZINC000409171970 560686697 /nfs/dbraw/zinc/68/66/97/560686697.db2.gz FXXDXJMXSQXJNF-UHFFFAOYSA-N 0 0 400.341 5.950 40 0 HKABRN O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000409172093 560686607 /nfs/dbraw/zinc/68/66/07/560686607.db2.gz HEXIZZBIWDFDBM-UHFFFAOYSA-N 0 0 416.373 6.324 40 0 HKABRN Cc1sc(NC(=O)Cn2nc(-c3ccc(C)cc3)oc2=S)nc1-c1ccccc1 ZINC000409172288 560686625 /nfs/dbraw/zinc/68/66/25/560686625.db2.gz BTOYKKRZVIJNPO-UHFFFAOYSA-N 0 0 422.535 5.252 40 0 HKABRN Cc1cccc(NC(=O)COc2ccc(CNc3ccc(Cl)cc3)cc2Cl)c1 ZINC000409172482 560686616 /nfs/dbraw/zinc/68/66/16/560686616.db2.gz JCHKCEKQECYOFI-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN O=C1NC(=Cc2cccc(OCc3ccccc3F)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409172544 560686723 /nfs/dbraw/zinc/68/67/23/560686723.db2.gz KLYZOQDSGBJKNV-FYJGNVAPSA-N 0 0 422.843 5.155 40 0 HKABRN Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000409173068 560686728 /nfs/dbraw/zinc/68/67/28/560686728.db2.gz LLPPECCTYCAAAZ-MOPGFXCFSA-N 0 0 418.562 5.605 40 0 HKABRN Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000409173069 558994040 /nfs/dbraw/zinc/99/40/40/558994040.db2.gz LLPPECCTYCAAAZ-OALUTQOASA-N 0 0 418.562 5.605 40 0 HKABRN Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000409173070 560686766 /nfs/dbraw/zinc/68/67/66/560686766.db2.gz LLPPECCTYCAAAZ-RBUKOAKNSA-N 0 0 418.562 5.605 40 0 HKABRN Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000409173071 558993997 /nfs/dbraw/zinc/99/39/97/558993997.db2.gz LLPPECCTYCAAAZ-RTBURBONSA-N 0 0 418.562 5.605 40 0 HKABRN Cc1cccc(OCc2ccc(C(=O)Oc3ccc(-c4cccc(C)c4)cc3C)cc2)c1 ZINC000409173394 558994032 /nfs/dbraw/zinc/99/40/32/558994032.db2.gz LZJBCYJSUDLJSO-UHFFFAOYSA-N 0 0 422.524 7.077 40 0 HKABRN CC(=O)Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000409173432 560686925 /nfs/dbraw/zinc/68/69/25/560686925.db2.gz NBLOQHNJXPYMPQ-JOCHJYFZSA-N 0 0 407.853 5.079 40 0 HKABRN CC(=O)Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000409173433 560686879 /nfs/dbraw/zinc/68/68/79/560686879.db2.gz NBLOQHNJXPYMPQ-QFIPXVFZSA-N 0 0 407.853 5.079 40 0 HKABRN COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409173435 560686907 /nfs/dbraw/zinc/68/69/07/560686907.db2.gz NBQADTZSYKHQTK-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN CCCOC(=O)c1cc(NC(=O)CSc2nc3ccccc3s2)ccc1Cl ZINC000409173459 558994025 /nfs/dbraw/zinc/99/40/25/558994025.db2.gz NOBIEOJMDFXFCG-UHFFFAOYSA-N 0 0 420.943 5.247 40 0 HKABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc4ccccc34)C2=O)cc1C ZINC000409173478 560686867 /nfs/dbraw/zinc/68/68/67/560686867.db2.gz IRBVFWRCEOFXEB-FYJGNVAPSA-N 0 0 416.502 5.132 40 0 HKABRN Cc1ccc(SCCC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000409173574 558994135 /nfs/dbraw/zinc/99/41/35/558994135.db2.gz LZHZGEGXJIGHKW-UHFFFAOYSA-N 0 0 407.604 6.717 40 0 HKABRN Cc1ccc(SCCC(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1 ZINC000409173722 558994145 /nfs/dbraw/zinc/99/41/45/558994145.db2.gz QRKZOGDAHZRRSS-UHFFFAOYSA-N 0 0 405.607 6.656 40 0 HKABRN Cc1ccc(SCCC(=O)Nc2ccc(I)cc2C)cc1 ZINC000409173997 560686896 /nfs/dbraw/zinc/68/68/96/560686896.db2.gz PAOPDGFXBCWJNA-UHFFFAOYSA-N 0 0 411.308 5.029 40 0 HKABRN Fc1ccc(COc2c(Cl)cc(CNc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000409174298 558994231 /nfs/dbraw/zinc/99/42/31/558994231.db2.gz RKDSVAWGYLWGRB-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN CCOC(=O)c1ccc(COC(=O)c2ccc(COc3cccc(C)c3)cc2)cc1 ZINC000409174326 560686983 /nfs/dbraw/zinc/68/69/83/560686983.db2.gz SAOUYIMIDLQEGR-UHFFFAOYSA-N 0 0 404.462 5.108 40 0 HKABRN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000409174395 560686986 /nfs/dbraw/zinc/68/69/86/560686986.db2.gz RXDQPZGBQJTHHR-IBGZPJMESA-N 0 0 407.604 6.715 40 0 HKABRN Cc1ccc(S[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000409174396 558994526 /nfs/dbraw/zinc/99/45/26/558994526.db2.gz RXDQPZGBQJTHHR-LJQANCHMSA-N 0 0 407.604 6.715 40 0 HKABRN Clc1ccc(NCc2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000409174694 560686982 /nfs/dbraw/zinc/68/69/82/560686982.db2.gz UFCNTTZRTLQLJF-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN O=C1NC(=Cc2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409174889 558995261 /nfs/dbraw/zinc/99/52/61/558995261.db2.gz VEAJJKCKSYOELQ-FYJGNVAPSA-N 0 0 422.843 5.155 40 0 HKABRN O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1cccc(Br)c1 ZINC000409175080 558995574 /nfs/dbraw/zinc/99/55/74/558995574.db2.gz ZBWMKZZRBLGRNT-NSYQEJESSA-N 0 0 400.297 5.242 40 0 HKABRN Cc1ccccc1OCc1nn(CC(=O)Nc2cc(Cl)cc(Cl)c2)c(=S)o1 ZINC000409175094 560686995 /nfs/dbraw/zinc/68/69/95/560686995.db2.gz PTZLZMJFWLUVHV-UHFFFAOYSA-N 0 0 424.309 5.039 40 0 HKABRN O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1cccc(Br)c1 ZINC000409175226 558996350 /nfs/dbraw/zinc/99/63/50/558996350.db2.gz ZBWMKZZRBLGRNT-YMZVDNRMSA-N 0 0 400.297 5.242 40 0 HKABRN O=C(CCC(=O)OC(c1ccccc1)c1ccccc1)Nc1cccc2ccccc21 ZINC000409175518 558996895 /nfs/dbraw/zinc/99/68/95/558996895.db2.gz ZVUOPIHZMPTHBU-UHFFFAOYSA-N 0 0 409.485 5.891 40 0 HKABRN CCCCOC(=O)c1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1Cl ZINC000409175650 558997149 /nfs/dbraw/zinc/99/71/49/558997149.db2.gz ABACRAVYQPNDRN-UHFFFAOYSA-N 0 0 412.338 5.681 40 0 HKABRN Cc1cc(Br)cc(C)c1NC(=O)CSc1cccc2ccccc21 ZINC000409175652 558997151 /nfs/dbraw/zinc/99/71/51/558997151.db2.gz ABHRODTVZYYZQX-UHFFFAOYSA-N 0 0 400.341 5.950 40 0 HKABRN Clc1ccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc32)cc1 ZINC000409175719 558997107 /nfs/dbraw/zinc/99/71/07/558997107.db2.gz AYSSYKDJFUUKDB-UHFFFAOYSA-N 0 0 408.328 7.338 40 0 HKABRN O=C(Oc1ccc(-c2ccccc2)cc1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000409175731 558997041 /nfs/dbraw/zinc/99/70/41/558997041.db2.gz BFYISGFZUMZZRB-UHFFFAOYSA-N 0 0 405.457 5.366 40 0 HKABRN Cc1ccc(COc2c(Cl)cc(CNc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000409175883 560687078 /nfs/dbraw/zinc/68/70/78/560687078.db2.gz DABHZTALLAAKAH-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Cc1cccc(OCc2ccc(C(=O)OCc3ccc(Br)cc3)cc2)c1 ZINC000409175890 560687098 /nfs/dbraw/zinc/68/70/98/560687098.db2.gz DEHCWWVZUPXUHF-UHFFFAOYSA-N 0 0 411.295 5.694 40 0 HKABRN Cc1cccc(OCc2ccc(C(=O)OCc3ccc(Cl)cc3Cl)cc2)c1 ZINC000409175912 558997658 /nfs/dbraw/zinc/99/76/58/558997658.db2.gz DPUUHSHGUCTAIG-UHFFFAOYSA-N 0 0 401.289 6.238 40 0 HKABRN COc1ccccc1OCc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000409175920 560687082 /nfs/dbraw/zinc/68/70/82/560687082.db2.gz DTVHRIRULHPBGR-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000409175933 560687049 /nfs/dbraw/zinc/68/70/49/560687049.db2.gz FCROHBMDQXZBEJ-IBGZPJMESA-N 0 0 418.562 5.607 40 0 HKABRN Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000409175934 558997854 /nfs/dbraw/zinc/99/78/54/558997854.db2.gz FCROHBMDQXZBEJ-LJQANCHMSA-N 0 0 418.562 5.607 40 0 HKABRN COc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1C ZINC000409176015 558997869 /nfs/dbraw/zinc/99/78/69/558997869.db2.gz WXUBMQDPQWIVHS-LICLKQGHSA-N 0 0 418.312 5.003 40 0 HKABRN Cc1ccc(-c2ccc(OC(=O)c3ccc(COc4cccc(C)c4)cc3)c(C)c2)cc1 ZINC000409176434 560687168 /nfs/dbraw/zinc/68/71/68/560687168.db2.gz NDKVCJVWVPBMQZ-UHFFFAOYSA-N 0 0 422.524 7.077 40 0 HKABRN O=C(CSc1nc2ccccc2s1)Nc1ccc(Br)c(Cl)c1 ZINC000409176459 560687201 /nfs/dbraw/zinc/68/72/01/560687201.db2.gz OBFUJKZMZAIBFR-UHFFFAOYSA-N 0 0 413.749 5.443 40 0 HKABRN COc1ccccc1OCc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1 ZINC000409176513 558998804 /nfs/dbraw/zinc/99/88/04/558998804.db2.gz PTCCMFJTDWCJQH-UHFFFAOYSA-N 0 0 410.469 6.160 40 0 HKABRN Clc1ccc(OCc2cccc3ccccc32)c(CNc2ccccc2Cl)c1 ZINC000409176514 560687170 /nfs/dbraw/zinc/68/71/70/560687170.db2.gz PUAOSOVPXOIOIE-UHFFFAOYSA-N 0 0 408.328 7.338 40 0 HKABRN O=C(CSc1ccc2ccccc2c1)Nc1ccc(Br)c(Cl)c1 ZINC000409176535 560687176 /nfs/dbraw/zinc/68/71/76/560687176.db2.gz QJEXMXRAVUXNKL-UHFFFAOYSA-N 0 0 406.732 5.987 40 0 HKABRN O=C(OC(c1ccccc1)c1ccccc1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000409176596 560687227 /nfs/dbraw/zinc/68/72/27/560687227.db2.gz SFOVGPOGWQMXJK-UHFFFAOYSA-N 0 0 419.484 5.426 40 0 HKABRN Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000409176629 560687224 /nfs/dbraw/zinc/68/72/24/560687224.db2.gz TVVKTZVJNGVZNN-GOSISDBHSA-N 0 0 404.535 5.044 40 0 HKABRN Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000409176630 560687238 /nfs/dbraw/zinc/68/72/38/560687238.db2.gz TVVKTZVJNGVZNN-SFHVURJKSA-N 0 0 404.535 5.044 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(C(=O)OC(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000409176666 560687254 /nfs/dbraw/zinc/68/72/54/560687254.db2.gz UPBCTQVFAVSMPK-UHFFFAOYSA-N 0 0 421.496 6.194 40 0 HKABRN Fc1ccc(COc2c(Cl)cc(CNc3ccccc3Cl)cc2Cl)cc1 ZINC000409176780 560687256 /nfs/dbraw/zinc/68/72/56/560687256.db2.gz XNWMHYHQLMARIN-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409176803 558998878 /nfs/dbraw/zinc/99/88/78/558998878.db2.gz YEFSPMHNQLWMQZ-UHFFFAOYSA-N 0 0 417.914 5.037 40 0 HKABRN O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc21)c1ccc2ccccc2c1 ZINC000409176816 558998810 /nfs/dbraw/zinc/99/88/10/558998810.db2.gz YPMLIUCKCLTXNI-UHFFFAOYSA-N 0 0 423.493 6.156 40 0 HKABRN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1 ZINC000409176867 560687298 /nfs/dbraw/zinc/68/72/98/560687298.db2.gz ZPHLIBOKQPJVTJ-BYURJTTGSA-N 0 0 405.607 6.654 40 0 HKABRN Cc1ccc(S[C@H](C)C(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1 ZINC000409176868 560687264 /nfs/dbraw/zinc/68/72/64/560687264.db2.gz ZPHLIBOKQPJVTJ-MWFWJRPISA-N 0 0 405.607 6.654 40 0 HKABRN Cc1ccc(S[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000409176878 560687271 /nfs/dbraw/zinc/68/72/71/560687271.db2.gz ZUXYGJGMVANGLS-AWEZNQCLSA-N 0 0 414.423 5.832 40 0 HKABRN Cc1ccc(S[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000409176879 560687255 /nfs/dbraw/zinc/68/72/55/560687255.db2.gz ZUXYGJGMVANGLS-CQSZACIVSA-N 0 0 414.423 5.832 40 0 HKABRN Fc1cccc(COc2ccc(CNc3ccc(Cl)cc3)cc2Br)c1 ZINC000409176894 560687273 /nfs/dbraw/zinc/68/72/73/560687273.db2.gz AEYGWVCCGXZGPF-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN CCOc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccccc1 ZINC000409176934 558998839 /nfs/dbraw/zinc/99/88/39/558998839.db2.gz BNKAHEIREBRIAA-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Br)o1 ZINC000409176995 560687294 /nfs/dbraw/zinc/68/72/94/560687294.db2.gz AFGHJIYKUSSBBD-GOSISDBHSA-N 0 0 419.658 5.477 40 0 HKABRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Br)o1 ZINC000409176996 558999038 /nfs/dbraw/zinc/99/90/38/558999038.db2.gz AFGHJIYKUSSBBD-SFHVURJKSA-N 0 0 419.658 5.477 40 0 HKABRN Cc1ccccc1C1=N/C(=C\c2cccc(OCc3cccc4ccccc43)c2)C(=O)O1 ZINC000409177099 560687267 /nfs/dbraw/zinc/68/72/67/560687267.db2.gz AMSRIHINGJUSMF-ONUIUJJFSA-N 0 0 419.480 6.072 40 0 HKABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc4ccccc34)C2=O)c(C)c1 ZINC000409177240 560687388 /nfs/dbraw/zinc/68/73/88/560687388.db2.gz FIOXUECEKGAGMI-FYJGNVAPSA-N 0 0 416.502 5.132 40 0 HKABRN CCCCOC(=O)c1ccc(NC(=O)CSc2ccc(Br)cc2)cc1 ZINC000409177286 560687360 /nfs/dbraw/zinc/68/73/60/560687360.db2.gz CNAAXNMKKDWBKE-UHFFFAOYSA-N 0 0 422.344 5.137 40 0 HKABRN Fc1ccccc1COc1ccc(CNc2ccc(Cl)cc2)cc1Br ZINC000409177370 558999136 /nfs/dbraw/zinc/99/91/36/558999136.db2.gz FQCOEHDJQAPFMS-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN Fc1ccccc1COc1c(Cl)cc(CNc2ccccc2Cl)cc1Cl ZINC000409177446 558999168 /nfs/dbraw/zinc/99/91/68/558999168.db2.gz AUWQNUTUIIEXGS-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN COc1cc(CNc2ccccc2Cl)ccc1OCc1cccc2ccccc21 ZINC000409177454 558999190 /nfs/dbraw/zinc/99/91/90/558999190.db2.gz FFQSFIWDQXTMMK-UHFFFAOYSA-N 0 0 403.909 6.693 40 0 HKABRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cccc4ccccc43)cc2)cc1 ZINC000409177468 558999204 /nfs/dbraw/zinc/99/92/04/558999204.db2.gz BCHCPBIOYBZTGI-UHFFFAOYSA-N 0 0 424.452 5.407 40 0 HKABRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc4ccccc34)C2=O)cc1 ZINC000409177573 560687403 /nfs/dbraw/zinc/68/74/03/560687403.db2.gz CEHHWNSQOSPYJX-KGENOOAVSA-N 0 0 416.502 5.077 40 0 HKABRN Clc1ccccc1NCc1ccc(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409177613 558999468 /nfs/dbraw/zinc/99/94/68/558999468.db2.gz GVHWVXUULFNDTC-UHFFFAOYSA-N 0 0 408.328 7.338 40 0 HKABRN Clc1ccccc1NCc1cccc(OCc2ccc(Br)cc2)c1 ZINC000409177749 560687520 /nfs/dbraw/zinc/68/75/20/560687520.db2.gz CNYXDUOOFZEGJV-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN Fc1ccccc1COc1ccc(CNc2ccccc2Cl)cc1Br ZINC000409177814 558999181 /nfs/dbraw/zinc/99/91/81/558999181.db2.gz HRWXZLUKUQTHNM-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN COc1ccccc1OCc1ccc(C(=O)Oc2ccc(Br)cc2)cc1 ZINC000409177832 558999542 /nfs/dbraw/zinc/99/95/42/558999542.db2.gz HWOIPHDZCDWTBS-UHFFFAOYSA-N 0 0 413.267 5.256 40 0 HKABRN Cc1c(Br)ccc(NC(=O)CSc2cccc3ccccc32)c1C ZINC000409177857 558999494 /nfs/dbraw/zinc/99/94/94/558999494.db2.gz JTAMHWIGZMQXJL-UHFFFAOYSA-N 0 0 400.341 5.950 40 0 HKABRN Cc1cccc(CSCCNC(=O)CSCc2c(Cl)cccc2Cl)c1 ZINC000409177908 560687512 /nfs/dbraw/zinc/68/75/12/560687512.db2.gz DKBJWKZQJCYQFK-UHFFFAOYSA-N 0 0 414.423 5.585 40 0 HKABRN CCC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000409177946 560687505 /nfs/dbraw/zinc/68/75/05/560687505.db2.gz HOJNPZBIVIKOTP-HSZRJFAPSA-N 0 0 421.880 5.470 40 0 HKABRN CCC(=O)Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000409177947 560687503 /nfs/dbraw/zinc/68/75/03/560687503.db2.gz HOJNPZBIVIKOTP-QHCPKHFHSA-N 0 0 421.880 5.470 40 0 HKABRN Cc1ccc(OCc2ccc(C(=O)OC(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000409178277 560687513 /nfs/dbraw/zinc/68/75/13/560687513.db2.gz LTMPHYTXJGCGHB-UHFFFAOYSA-N 0 0 408.497 6.520 40 0 HKABRN O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1ccccc1 ZINC000409178306 560687564 /nfs/dbraw/zinc/68/75/64/560687564.db2.gz MASNBWJKNQUKQS-DEOSSOPVSA-N 0 0 421.880 5.226 40 0 HKABRN O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1ccccc1 ZINC000409178309 558999691 /nfs/dbraw/zinc/99/96/91/558999691.db2.gz MASNBWJKNQUKQS-XMMPIXPASA-N 0 0 421.880 5.226 40 0 HKABRN Cc1ccc(SCCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000409178367 560687590 /nfs/dbraw/zinc/68/75/90/560687590.db2.gz LKTJTTSVJZAMHT-UHFFFAOYSA-N 0 0 414.423 5.834 40 0 HKABRN CC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000409178469 560687595 /nfs/dbraw/zinc/68/75/95/560687595.db2.gz JYNIPZCNPNODJE-JOCHJYFZSA-N 0 0 407.853 5.079 40 0 HKABRN CC(=O)Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000409178471 560687593 /nfs/dbraw/zinc/68/75/93/560687593.db2.gz JYNIPZCNPNODJE-QFIPXVFZSA-N 0 0 407.853 5.079 40 0 HKABRN O=C(CSc1cccc2ccccc21)Nc1ccc(Br)c(Cl)c1 ZINC000409178488 560687568 /nfs/dbraw/zinc/68/75/68/560687568.db2.gz KESIADZAHHTWCD-UHFFFAOYSA-N 0 0 406.732 5.987 40 0 HKABRN COc1ccccc1OCc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1 ZINC000409178502 560687548 /nfs/dbraw/zinc/68/75/48/560687548.db2.gz KHUIQORODFASMN-UHFFFAOYSA-N 0 0 424.496 6.469 40 0 HKABRN Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)cc3)c3ccccc3n2)cc1C ZINC000409178513 558999812 /nfs/dbraw/zinc/99/98/12/558999812.db2.gz JCMHUTJXCDBNKB-UHFFFAOYSA-N 0 0 413.448 5.697 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000409178536 560687584 /nfs/dbraw/zinc/68/75/84/560687584.db2.gz KVINAWGBZOJODN-UHFFFAOYSA-N 0 0 423.468 5.440 40 0 HKABRN Fc1cccc(COc2ccc(Br)cc2CNc2ccccc2Cl)c1 ZINC000409178596 558999791 /nfs/dbraw/zinc/99/97/91/558999791.db2.gz GZQIQSVYAQQQCF-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3cccc4ccccc43)cc2)cc1 ZINC000409178684 560687748 /nfs/dbraw/zinc/68/77/48/560687748.db2.gz MRMQNCAFUYOKAI-UHFFFAOYSA-N 0 0 423.468 5.440 40 0 HKABRN COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409178812 560687737 /nfs/dbraw/zinc/68/77/37/560687737.db2.gz IRRZYCWDQIUPAO-UHFFFAOYSA-N 0 0 402.321 6.502 40 0 HKABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)c(C)c1 ZINC000409178878 560687715 /nfs/dbraw/zinc/68/77/15/560687715.db2.gz OIGNRVPHTVCWNW-UDWIEESQSA-N 0 0 408.523 5.102 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409178886 558999987 /nfs/dbraw/zinc/99/99/87/558999987.db2.gz JHQIWNOPQBYTBJ-UHFFFAOYSA-N 0 0 424.928 5.677 40 0 HKABRN O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409178897 558999984 /nfs/dbraw/zinc/99/99/84/558999984.db2.gz JOFDVWPERICCAS-UHFFFAOYSA-N 0 0 417.578 5.762 40 0 HKABRN Cc1ccc(COc2ccc(CNc3ccc(Cl)cc3)cc2Br)cc1 ZINC000409178948 559000032 /nfs/dbraw/zinc/00/00/32/559000032.db2.gz LACGAAXRQUCSHT-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN COc1cc(CNc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000409178975 560687696 /nfs/dbraw/zinc/68/76/96/560687696.db2.gz LTDXMNBFJVSTMD-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN O=C(OC(c1ccccc1)c1ccccc1)c1cc(-c2cccs2)nc2ccccc21 ZINC000409179122 560687718 /nfs/dbraw/zinc/68/77/18/560687718.db2.gz PXGJSLFXDFIJNI-UHFFFAOYSA-N 0 0 421.521 6.910 40 0 HKABRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2CNc2ccccc2Cl)c1 ZINC000409179132 560687811 /nfs/dbraw/zinc/68/78/11/560687811.db2.gz NIYVKILYKKAXBS-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN COc1ccccc1OCc1ccc(C(=O)Oc2ccc(Cc3ccccc3)cc2)cc1 ZINC000409179168 559000181 /nfs/dbraw/zinc/00/01/81/559000181.db2.gz QDJBESNRZVKFMU-UHFFFAOYSA-N 0 0 424.496 6.084 40 0 HKABRN COc1ccccc1OCc1ccc(C(=O)Oc2ccc(C3CCCCC3)cc2)cc1 ZINC000409179197 560687785 /nfs/dbraw/zinc/68/77/85/560687785.db2.gz PTIWQPULGVHJFO-UHFFFAOYSA-N 0 0 416.517 6.541 40 0 HKABRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000409179253 560687818 /nfs/dbraw/zinc/68/78/18/560687818.db2.gz QTDWQJIJGDWFRB-DEOSSOPVSA-N 0 0 400.861 6.274 40 0 HKABRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000409179256 560687796 /nfs/dbraw/zinc/68/77/96/560687796.db2.gz QTDWQJIJGDWFRB-XMMPIXPASA-N 0 0 400.861 6.274 40 0 HKABRN Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccc4ccccc4c3)cc2)c1 ZINC000409179295 558999805 /nfs/dbraw/zinc/99/98/05/558999805.db2.gz QMNCYOISYXNWAD-UHFFFAOYSA-N 0 0 410.469 5.767 40 0 HKABRN COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409179512 560687814 /nfs/dbraw/zinc/68/78/14/560687814.db2.gz RBGQHCZYAXKBNT-UHFFFAOYSA-N 0 0 410.901 5.287 40 0 HKABRN O=C1OC(c2ccccc2F)=N/C1=C/c1cccc(OCc2cccc3ccccc32)c1 ZINC000409179513 559001570 /nfs/dbraw/zinc/00/15/70/559001570.db2.gz PNIFCEWHGCWMOL-PCLIKHOPSA-N 0 0 423.443 5.902 40 0 HKABRN COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccccc1F ZINC000409179515 560687826 /nfs/dbraw/zinc/68/78/26/560687826.db2.gz RBMJOZXMXIJORU-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)c1cccs1 ZINC000409179516 560687805 /nfs/dbraw/zinc/68/78/05/560687805.db2.gz RUDPOEXJAUTXNM-UHFFFAOYSA-N 0 0 407.878 5.656 40 0 HKABRN Cc1ccc(COc2ccc(Br)cc2CNc2ccccc2Cl)cc1 ZINC000409179576 560687787 /nfs/dbraw/zinc/68/77/87/560687787.db2.gz SIISYZWDUYOMQH-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN O=C(Oc1ccc(C2CCCCC2)cc1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000409179616 560687775 /nfs/dbraw/zinc/68/77/75/560687775.db2.gz SXMSNPHBPQCHOM-UHFFFAOYSA-N 0 0 411.505 5.747 40 0 HKABRN O=C(OC(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000409179664 559001544 /nfs/dbraw/zinc/00/15/44/559001544.db2.gz RLCGJQZHQGBBJU-UHFFFAOYSA-N 0 0 415.492 6.848 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409179666 560687827 /nfs/dbraw/zinc/68/78/27/560687827.db2.gz NBOJALZBSCYOGT-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2CNc2ccc(Cl)cc2)c1 ZINC000409179752 560687822 /nfs/dbraw/zinc/68/78/22/560687822.db2.gz NNKKNRIEEKHWLI-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN Cc1ccc(SCCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000409179779 559000192 /nfs/dbraw/zinc/00/01/92/559000192.db2.gz SJEBQBOFFWNIJC-UHFFFAOYSA-N 0 0 414.423 5.834 40 0 HKABRN Cc1ccc(NCc2ccc(C(=O)OC(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000409179872 559000182 /nfs/dbraw/zinc/00/01/82/559000182.db2.gz OVQVMRFBAKQVKT-UHFFFAOYSA-N 0 0 407.513 6.554 40 0 HKABRN COc1ccccc1OCc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1 ZINC000409179915 559000293 /nfs/dbraw/zinc/00/02/93/559000293.db2.gz PVFKVUPNCPTUME-UHFFFAOYSA-N 0 0 417.288 5.938 40 0 HKABRN COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000409179917 559000298 /nfs/dbraw/zinc/00/02/98/559000298.db2.gz PVUNPIUNRVGYOZ-UHFFFAOYSA-N 0 0 401.384 5.545 40 0 HKABRN Clc1ccccc1NCc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409179934 559000595 /nfs/dbraw/zinc/00/05/95/559000595.db2.gz QIUNZKQAOXKGAD-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN Cc1ccccc1NCc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1 ZINC000409180032 559001052 /nfs/dbraw/zinc/00/10/52/559001052.db2.gz URXKDORXFKIUHG-UHFFFAOYSA-N 0 0 407.513 6.554 40 0 HKABRN COc1ccccc1OCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000409180037 560686628 /nfs/dbraw/zinc/68/66/28/560686628.db2.gz VOPWWHLRVOOIQW-UHFFFAOYSA-N 0 0 401.384 5.545 40 0 HKABRN COc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000409180152 560688222 /nfs/dbraw/zinc/68/82/22/560688222.db2.gz PTKXYCWZJBPVQZ-UHFFFAOYSA-N 0 0 416.502 5.650 40 0 HKABRN Fc1cccc(COc2ccc(Br)cc2CNc2ccc(Cl)cc2)c1 ZINC000409180167 560688234 /nfs/dbraw/zinc/68/82/34/560688234.db2.gz WGQKTZKEBYZASC-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN CCOc1cc(CNc2ccccc2Cl)ccc1OCc1cccc(Cl)c1 ZINC000409180210 559003221 /nfs/dbraw/zinc/00/32/21/559003221.db2.gz QABNJCTZDMDPAV-UHFFFAOYSA-N 0 0 402.321 6.583 40 0 HKABRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000409180354 560688237 /nfs/dbraw/zinc/68/82/37/560688237.db2.gz QZQRATDDIMXWKZ-FQEVSTJZSA-N 0 0 419.691 6.428 40 0 HKABRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000409180359 559002423 /nfs/dbraw/zinc/00/24/23/559002423.db2.gz QZQRATDDIMXWKZ-HXUWFJFHSA-N 0 0 419.691 6.428 40 0 HKABRN CCOc1cc(CNc2ccccc2Cl)ccc1OCc1cccc2ccccc21 ZINC000409180444 560688244 /nfs/dbraw/zinc/68/82/44/560688244.db2.gz SVOXEUMIZSQQJR-UHFFFAOYSA-N 0 0 417.936 7.083 40 0 HKABRN O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1ccccc1 ZINC000409180449 560688221 /nfs/dbraw/zinc/68/82/21/560688221.db2.gz SYGXBDAUTYIEPA-UHFFFAOYSA-N 0 0 400.396 5.276 40 0 HKABRN COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1cccc(F)c1 ZINC000409180528 560688241 /nfs/dbraw/zinc/68/82/41/560688241.db2.gz WLTMTOBVLNHHTP-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN CC(=O)Nc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)ccc1C ZINC000409180530 559007333 /nfs/dbraw/zinc/00/73/33/559007333.db2.gz WMDOWAIXXWIOHZ-HSZRJFAPSA-N 0 0 421.880 5.388 40 0 HKABRN CC(=O)Nc1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)ccc1C ZINC000409180531 559007355 /nfs/dbraw/zinc/00/73/55/559007355.db2.gz WMDOWAIXXWIOHZ-QHCPKHFHSA-N 0 0 421.880 5.388 40 0 HKABRN COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409180548 560688397 /nfs/dbraw/zinc/68/83/97/560688397.db2.gz ZINMTLXHLIFXJB-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN O=C(CSCc1c(Cl)cccc1Cl)NCc1ccc(Cl)cc1Cl ZINC000409180615 560688388 /nfs/dbraw/zinc/68/83/88/560688388.db2.gz YBRDKTNLFZKXKV-UHFFFAOYSA-N 0 0 409.165 5.850 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409180669 560688392 /nfs/dbraw/zinc/68/83/92/560688392.db2.gz ZAHJGTYGHDFUQM-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN Cc1cc(Br)c(NC(=O)CSc2ccc3ccccc3c2)cc1C ZINC000409180719 560688394 /nfs/dbraw/zinc/68/83/94/560688394.db2.gz ZGVZAOIYKKYYPX-UHFFFAOYSA-N 0 0 400.341 5.950 40 0 HKABRN Fc1cccc(COc2c(Cl)cc(CNc3ccccc3Cl)cc2Cl)c1 ZINC000409180812 559009465 /nfs/dbraw/zinc/00/94/65/559009465.db2.gz SDDWJBAIMNDIDR-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc21 ZINC000409180916 560688344 /nfs/dbraw/zinc/68/83/44/560688344.db2.gz UUWCPEXDLYYFLF-UHFFFAOYSA-N 0 0 417.936 7.083 40 0 HKABRN Cc1cccc(OCc2ccc(C(=O)Oc3ccc(Cc4ccccc4)cc3)cc2)c1 ZINC000409180926 560688337 /nfs/dbraw/zinc/68/83/37/560688337.db2.gz ZEMGXQCGHRZEIL-UHFFFAOYSA-N 0 0 408.497 6.384 40 0 HKABRN O=C(Nc1ccccc1C(=O)OC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000409180943 559009475 /nfs/dbraw/zinc/00/94/75/559009475.db2.gz VICORGHIYNMLNJ-UHFFFAOYSA-N 0 0 407.469 5.885 40 0 HKABRN COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000409181069 560688368 /nfs/dbraw/zinc/68/83/68/560688368.db2.gz VLPOJONNCSQLOC-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN Cc1cccc(OCc2ccc(C(=O)Oc3ccc(C4CCCCC4)cc3)cc2)c1 ZINC000409181085 560688359 /nfs/dbraw/zinc/68/83/59/560688359.db2.gz VTQRLKPSKDMTNY-UHFFFAOYSA-N 0 0 400.518 6.841 40 0 HKABRN Fc1ccccc1COc1ccc(Br)cc1CNc1ccccc1Cl ZINC000409181135 559009589 /nfs/dbraw/zinc/00/95/89/559009589.db2.gz XMWPXWGIDZRARE-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN CC(=O)Oc1ccc(C(=O)COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 ZINC000409181218 559009800 /nfs/dbraw/zinc/00/98/00/559009800.db2.gz ZICDKQNMJAXGPI-UHFFFAOYSA-N 0 0 410.510 5.247 40 0 HKABRN CCc1ccc(-c2cc(C(=O)OCC(=O)c3cccs3)c3ccccc3n2)cc1 ZINC000409181230 560688483 /nfs/dbraw/zinc/68/84/83/560688483.db2.gz ZVFMPEAFXLBGSW-UHFFFAOYSA-N 0 0 401.487 5.565 40 0 HKABRN O=C1OC(c2ccc(F)cc2)=N/C1=C/c1cccc(OCc2cccc3ccccc32)c1 ZINC000409181236 560688479 /nfs/dbraw/zinc/68/84/79/560688479.db2.gz AAPISCWROOSQFT-PCLIKHOPSA-N 0 0 423.443 5.902 40 0 HKABRN Cc1c(Br)ccc(NC(=O)CSc2ccc3ccccc3c2)c1C ZINC000409181239 560688504 /nfs/dbraw/zinc/68/85/04/560688504.db2.gz ACWFFCUYTGGTLI-UHFFFAOYSA-N 0 0 400.341 5.950 40 0 HKABRN Cc1cc(Br)cc(C)c1NC(=O)CSc1ccc2ccccc2c1 ZINC000409181269 559009971 /nfs/dbraw/zinc/00/99/71/559009971.db2.gz ANJXETIVQLLVGU-UHFFFAOYSA-N 0 0 400.341 5.950 40 0 HKABRN Clc1ccccc1NCc1cc(Br)ccc1OCc1ccccc1 ZINC000409181303 559009885 /nfs/dbraw/zinc/00/98/85/559009885.db2.gz ATGXLXMLLKGFIL-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN CCOc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1cccc(F)c1 ZINC000409181376 560688493 /nfs/dbraw/zinc/68/84/93/560688493.db2.gz BVXRYRPYVQXKJX-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN Cc1c(Cl)cccc1NC(=O)CCC(=O)OC(c1ccccc1)c1ccccc1 ZINC000409181402 559009990 /nfs/dbraw/zinc/00/99/90/559009990.db2.gz CJXNDVFKFORTOK-UHFFFAOYSA-N 0 0 407.897 5.700 40 0 HKABRN O=C(Oc1ccc(Cl)cc1)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000409181433 560688480 /nfs/dbraw/zinc/68/84/80/560688480.db2.gz CKTUHHDIIZMIAG-UHFFFAOYSA-N 0 0 417.686 5.901 40 0 HKABRN CCOc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409181538 559011098 /nfs/dbraw/zinc/01/10/98/559011098.db2.gz CVHFFUZYCQNALZ-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN CCCOC(=O)c1cc(NC(=O)CSc2cccc3ccccc32)ccc1Cl ZINC000409181548 560688497 /nfs/dbraw/zinc/68/84/97/560688497.db2.gz CXWFQAXIIKBLKU-UHFFFAOYSA-N 0 0 413.926 5.791 40 0 HKABRN COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409181560 559011054 /nfs/dbraw/zinc/01/10/54/559011054.db2.gz DDRHXAOXPSYYGG-UHFFFAOYSA-N 0 0 422.739 6.847 40 0 HKABRN COc1cc(CNc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc21 ZINC000409181573 559011107 /nfs/dbraw/zinc/01/11/07/559011107.db2.gz DHHDHFRESLKAKG-UHFFFAOYSA-N 0 0 403.909 6.693 40 0 HKABRN Cc1cccc(OCc2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)c1 ZINC000409181654 560688482 /nfs/dbraw/zinc/68/84/82/560688482.db2.gz FQXXWTDZTRFNKE-UHFFFAOYSA-N 0 0 400.503 5.950 40 0 HKABRN Clc1ccc(NCc2ccccc2OCc2ccc(Br)cc2)cc1 ZINC000409181715 560688500 /nfs/dbraw/zinc/68/85/00/560688500.db2.gz FHHUUAAHKYVOHA-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN Fc1ccc(COc2ccc(CNc3ccc(Cl)cc3)cc2Br)cc1 ZINC000409181751 559011105 /nfs/dbraw/zinc/01/11/05/559011105.db2.gz DDZUWTHVVNNWSW-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000409181815 560688489 /nfs/dbraw/zinc/68/84/89/560688489.db2.gz FQFURAZRCUMHSQ-UHFFFAOYSA-N 0 0 419.484 5.290 40 0 HKABRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000409181830 559011133 /nfs/dbraw/zinc/01/11/33/559011133.db2.gz FXUYKVHFUUQQRU-DEDYPNTBSA-N 0 0 408.523 5.047 40 0 HKABRN Cc1cc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2(O)C(F)(F)F)ccc1Cl ZINC000409181843 560688550 /nfs/dbraw/zinc/68/85/50/560688550.db2.gz FWDQYUPAZGEPHW-CKFHNAJUSA-N 0 0 416.871 5.174 40 0 HKABRN Cc1cc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2(O)C(F)(F)F)ccc1Cl ZINC000409181844 560688568 /nfs/dbraw/zinc/68/85/68/560688568.db2.gz FWDQYUPAZGEPHW-IQUTYRLHSA-N 0 0 416.871 5.174 40 0 HKABRN Cc1cc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2(O)C(F)(F)F)ccc1Cl ZINC000409181845 559011081 /nfs/dbraw/zinc/01/10/81/559011081.db2.gz FWDQYUPAZGEPHW-KSMMKXTCSA-N 0 0 416.871 5.174 40 0 HKABRN Cc1cc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2(O)C(F)(F)F)ccc1Cl ZINC000409181846 560688532 /nfs/dbraw/zinc/68/85/32/560688532.db2.gz FWDQYUPAZGEPHW-NJSLBKSFSA-N 0 0 416.871 5.174 40 0 HKABRN Fc1cccc(COc2ccc(CNc3ccccc3Cl)cc2Br)c1 ZINC000409181851 559011140 /nfs/dbraw/zinc/01/11/40/559011140.db2.gz FXXKRJPACZDSCD-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN Clc1ccccc1NCc1ccccc1OCc1ccc(Br)cc1 ZINC000409181852 559011116 /nfs/dbraw/zinc/01/11/16/559011116.db2.gz FZJZZLQNFUNNAS-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN Cc1ccc(NC(=O)CCC(=O)OC(c2ccccc2)c2ccccc2)cc1Cl ZINC000409181940 559011240 /nfs/dbraw/zinc/01/12/40/559011240.db2.gz GYJWYCFRHYDPTB-UHFFFAOYSA-N 0 0 407.897 5.700 40 0 HKABRN Cc1ccc(COc2ccc(CNc3ccccc3Cl)cc2Br)cc1 ZINC000409181970 560688559 /nfs/dbraw/zinc/68/85/59/560688559.db2.gz HEAPFWMYDXWVED-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN O=C(Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1)c1ccc(-c2ccccc2)cc1 ZINC000409182035 560688535 /nfs/dbraw/zinc/68/85/35/560688535.db2.gz HSBKSQCCKJAGFO-UHFFFAOYSA-N 0 0 407.557 7.146 40 0 HKABRN Cc1ccc(COc2c(Cl)cc(CNc3ccccc3Cl)cc2Cl)cc1 ZINC000409182064 560688508 /nfs/dbraw/zinc/68/85/08/560688508.db2.gz HWJNVKVAOWRVMM-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN O=S(=O)(Oc1ccc(CNc2ccc(Cl)cc2)cc1Cl)c1ccccc1 ZINC000409182245 560688514 /nfs/dbraw/zinc/68/85/14/560688514.db2.gz JVONBWPNYABHAH-UHFFFAOYSA-N 0 0 408.306 5.373 40 0 HKABRN COc1ccccc1OCc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1 ZINC000409182263 559011118 /nfs/dbraw/zinc/01/11/18/559011118.db2.gz KBNZBWZYRROHSH-UHFFFAOYSA-N 0 0 424.496 6.221 40 0 HKABRN O=C(Nc1ccccc1C(=O)OCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000409182309 560688520 /nfs/dbraw/zinc/68/85/20/560688520.db2.gz KNBSVIOEUCXSPD-UHFFFAOYSA-N 0 0 400.261 5.603 40 0 HKABRN CCCOC(=O)c1cc(NC(=O)CSc2ccc3ccccc3c2)ccc1Cl ZINC000409182331 559011066 /nfs/dbraw/zinc/01/10/66/559011066.db2.gz KNFSINVVPJPOAE-UHFFFAOYSA-N 0 0 413.926 5.791 40 0 HKABRN O=C(c1ccccc1)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)C2=O ZINC000409182371 560688528 /nfs/dbraw/zinc/68/85/28/560688528.db2.gz KSZVRRKVORBAEZ-UHFFFAOYSA-N 0 0 419.436 5.511 40 0 HKABRN Cc1cc(Br)c(NC(=O)CSc2nc3ccccc3s2)cc1C ZINC000409182410 560688512 /nfs/dbraw/zinc/68/85/12/560688512.db2.gz LTLOEVMIKLAXLV-UHFFFAOYSA-N 0 0 407.358 5.406 40 0 HKABRN Clc1ccccc1NCc1ccc(OCc2ccccc2)c(Br)c1 ZINC000409182426 559011234 /nfs/dbraw/zinc/01/12/34/559011234.db2.gz MBWYOBIXKXNJKG-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN O=C(Nc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1)c1ccccc1 ZINC000409182474 560688538 /nfs/dbraw/zinc/68/85/38/560688538.db2.gz LKSQBGLAZOULBQ-UHFFFAOYSA-N 0 0 407.469 5.885 40 0 HKABRN Fc1ccc(COc2ccc(CNc3ccccc3Cl)cc2Br)cc1 ZINC000409182508 559011248 /nfs/dbraw/zinc/01/12/48/559011248.db2.gz LVSAJMMPXADUEC-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN Fc1ccc(COc2ccc(Br)cc2CNc2ccccc2Cl)cc1 ZINC000409182588 560688542 /nfs/dbraw/zinc/68/85/42/560688542.db2.gz MXSNWNOCMOFFAI-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN O=C(Nc1ccc(Cl)cc1)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000409182626 560688548 /nfs/dbraw/zinc/68/85/48/560688548.db2.gz NNNIQLYIEDBSDK-UHFFFAOYSA-N 0 0 416.702 5.934 40 0 HKABRN O=C1OC(c2ccccc2)=N/C1=C/c1cccc(OCc2cccc3ccccc32)c1 ZINC000409182631 560688563 /nfs/dbraw/zinc/68/85/63/560688563.db2.gz NWHUQRBAIAQXAW-KOEQRZSOSA-N 0 0 405.453 5.763 40 0 HKABRN Cc1cccc(C2=N/C(=C/c3cccc(OCc4cccc5ccccc54)c3)C(=O)O2)c1 ZINC000409182786 559011224 /nfs/dbraw/zinc/01/12/24/559011224.db2.gz NZIXNLJMNUDHQW-YZSQISJMSA-N 0 0 419.480 6.072 40 0 HKABRN Fc1cccc(COc2c(Cl)cc(CNc3ccc(Cl)cc3)cc2Cl)c1 ZINC000409182893 560688719 /nfs/dbraw/zinc/68/87/19/560688719.db2.gz PRYRZOPHGIEFLT-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN Cc1ccc(-c2ccc(OC(=O)c3ccc(Cn4nnc5ccccc54)cc3)cc2)cc1 ZINC000409182960 559011321 /nfs/dbraw/zinc/01/13/21/559011321.db2.gz PMNSWARZSBGMAF-UHFFFAOYSA-N 0 0 419.484 5.674 40 0 HKABRN Clc1ccc(NCc2ccc(OCc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000409183050 560688733 /nfs/dbraw/zinc/68/87/33/560688733.db2.gz QNTCJUQDZCBUFO-UHFFFAOYSA-N 0 0 408.328 7.338 40 0 HKABRN O=C(OCc1ccc(Cl)cc1Cl)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000409183054 560688682 /nfs/dbraw/zinc/68/86/82/560688682.db2.gz QQNREQSVVSSGDC-UHFFFAOYSA-N 0 0 412.276 5.143 40 0 HKABRN CCOc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccccc1F ZINC000409183194 560688727 /nfs/dbraw/zinc/68/87/27/560688727.db2.gz QLGSPKXPPDCHMP-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN Cc1cccc(OCc2ccc(C(=O)OC(c3ccccc3)c3ccccc3)cc2)c1 ZINC000409183264 560688660 /nfs/dbraw/zinc/68/86/60/560688660.db2.gz RAQGSVLFPQERTE-UHFFFAOYSA-N 0 0 408.497 6.520 40 0 HKABRN COc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000409183267 560688711 /nfs/dbraw/zinc/68/87/11/560688711.db2.gz TWFNGVMOHGCKAO-UHFFFAOYSA-N 0 0 402.277 5.833 40 0 HKABRN CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409183273 560688669 /nfs/dbraw/zinc/68/86/69/560688669.db2.gz RBQQUNXJXPEFIT-UHFFFAOYSA-N 0 0 424.928 5.677 40 0 HKABRN CCCCOc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000409183315 559011656 /nfs/dbraw/zinc/01/16/56/559011656.db2.gz RLIBUMFHIKJEOX-DEOSSOPVSA-N 0 0 422.908 6.300 40 0 HKABRN CCCCOc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000409183318 560688690 /nfs/dbraw/zinc/68/86/90/560688690.db2.gz RLIBUMFHIKJEOX-XMMPIXPASA-N 0 0 422.908 6.300 40 0 HKABRN O=C(Nc1ccc(-c2nc(-c3ccccc3)nc3ccccc32)cc1)c1cccs1 ZINC000409183491 559011493 /nfs/dbraw/zinc/01/14/93/559011493.db2.gz UAAVRLTUFDDHGD-UHFFFAOYSA-N 0 0 407.498 6.278 40 0 HKABRN Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3cccc4ccccc43)cc2)c1 ZINC000409183514 560688812 /nfs/dbraw/zinc/68/88/12/560688812.db2.gz UTDBTIBZOBPYGK-UHFFFAOYSA-N 0 0 410.469 5.767 40 0 HKABRN Cc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(Br)cc3)cc2)cc1 ZINC000409183531 559011537 /nfs/dbraw/zinc/01/15/37/559011537.db2.gz VFDHVUVHMYEROE-UHFFFAOYSA-N 0 0 424.294 5.367 40 0 HKABRN CC(C)(C)c1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000409183534 560688833 /nfs/dbraw/zinc/68/88/33/560688833.db2.gz VFPXTTIQLRPZHP-HSZRJFAPSA-N 0 0 406.909 6.419 40 0 HKABRN CC(C)(C)c1cc(C(=O)OC(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1 ZINC000409183845 559011982 /nfs/dbraw/zinc/01/19/82/559011982.db2.gz UANTYYVUJRAQEY-UHFFFAOYSA-N 0 0 400.562 7.228 40 0 HKABRN Cc1cccc(NC(=O)COc2ccc(CNc3ccccc3Cl)cc2Cl)c1 ZINC000409183926 560688805 /nfs/dbraw/zinc/68/88/05/560688805.db2.gz VGRWXDZWUMQARB-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN CC(C)(C)c1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000409183955 559012120 /nfs/dbraw/zinc/01/21/20/559012120.db2.gz VFPXTTIQLRPZHP-QHCPKHFHSA-N 0 0 406.909 6.419 40 0 HKABRN O=S(=O)(Oc1ccc(CNc2ccccc2Cl)cc1Cl)c1ccccc1 ZINC000409184181 559012179 /nfs/dbraw/zinc/01/21/79/559012179.db2.gz XTNOBTCVSHPIFW-UHFFFAOYSA-N 0 0 408.306 5.373 40 0 HKABRN COc1cc(NC(C)=O)c(Cl)cc1C(=O)OC(c1ccccc1)c1ccccc1 ZINC000409184298 559012108 /nfs/dbraw/zinc/01/21/08/559012108.db2.gz XBUITUPHGIUJTG-UHFFFAOYSA-N 0 0 409.869 5.253 40 0 HKABRN Fc1ccccc1COc1c(Cl)cc(CNc2ccc(Cl)cc2)cc1Cl ZINC000409184319 559012321 /nfs/dbraw/zinc/01/23/21/559012321.db2.gz XJJDJVOSVRWLFL-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN Cc1ccc(SCCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000409184345 559012388 /nfs/dbraw/zinc/01/23/88/559012388.db2.gz WHENONVCFORNRR-UHFFFAOYSA-N 0 0 414.423 5.834 40 0 HKABRN Clc1ccc(NCc2cccc(OCc3ccc(Br)cc3)c2)cc1 ZINC000409184383 560688815 /nfs/dbraw/zinc/68/88/15/560688815.db2.gz XURUBADTSHLWRA-UHFFFAOYSA-N 0 0 402.719 6.294 40 0 HKABRN COc1cc(CNc2ccccc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409184390 559012581 /nfs/dbraw/zinc/01/25/81/559012581.db2.gz WPESEESHRDDLQG-UHFFFAOYSA-N 0 0 417.914 5.037 40 0 HKABRN O=C(OCc1ccc(Cl)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000409184641 560688913 /nfs/dbraw/zinc/68/89/13/560688913.db2.gz YKPWXEZCUNWOLA-UHFFFAOYSA-N 0 0 408.284 6.566 40 0 HKABRN CCc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)cc3)c3ccccc3n2)cc1 ZINC000409184659 559012903 /nfs/dbraw/zinc/01/29/03/559012903.db2.gz YVNZCQPPLPOSQG-UHFFFAOYSA-N 0 0 413.448 5.643 40 0 HKABRN CCC(=O)Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000409184663 559013036 /nfs/dbraw/zinc/01/30/36/559013036.db2.gz YYDHNSRJNOGVIS-HSZRJFAPSA-N 0 0 421.880 5.470 40 0 HKABRN CCC(=O)Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000409184664 559013052 /nfs/dbraw/zinc/01/30/52/559013052.db2.gz YYDHNSRJNOGVIS-QHCPKHFHSA-N 0 0 421.880 5.470 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSCc1cccc(Cl)c1 ZINC000409186145 560689064 /nfs/dbraw/zinc/68/90/64/560689064.db2.gz XNHOUIXFJGCHEH-FNORWQNLSA-N 0 0 400.758 5.710 40 0 HKABRN O=[N+]([O-])/C=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409187196 560687975 /nfs/dbraw/zinc/68/79/75/560687975.db2.gz NFKWTYDTNPDPCY-BQYQJAHWSA-N 0 0 413.065 5.038 40 0 HKABRN CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409188058 560688004 /nfs/dbraw/zinc/68/80/04/560688004.db2.gz FMMNKQVECYTYIF-MHWRWJLKSA-N 0 0 424.305 5.642 40 0 HKABRN COc1ccc2oc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2c1 ZINC000409188243 560688104 /nfs/dbraw/zinc/68/81/04/560688104.db2.gz XRVKQMDNKYENBJ-UHFFFAOYSA-N 0 0 401.506 6.162 40 0 HKABRN CCOc1cc(C)c(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1C(C)C ZINC000409188321 559014477 /nfs/dbraw/zinc/01/44/77/559014477.db2.gz GNPZZYXIEJANRK-UDWIEESQSA-N 0 0 415.942 6.411 40 0 HKABRN CCOc1cc(-c2nc3ccccc3s2)ccc1OCc1c(C)cc(C)cc1C ZINC000409188698 560688169 /nfs/dbraw/zinc/68/81/69/560688169.db2.gz KBXWLNCRNPCTJH-UHFFFAOYSA-N 0 0 403.547 6.866 40 0 HKABRN COc1cc(-c2nc3ccccc3s2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409188942 560688101 /nfs/dbraw/zinc/68/81/01/560688101.db2.gz KYKPOUCTBJRXAK-UHFFFAOYSA-N 0 0 416.329 6.858 40 0 HKABRN Clc1ccc(Cn2cc(-c3nc4ccccc4s3)c3ccccc32)cc1Cl ZINC000409189001 559014621 /nfs/dbraw/zinc/01/46/21/559014621.db2.gz MLTIWRMULLJHMN-UHFFFAOYSA-N 0 0 409.341 7.273 40 0 HKABRN CCOC(=O)c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000409189045 559014609 /nfs/dbraw/zinc/01/46/09/559014609.db2.gz HSQKPCOGJWDNMC-UIAACRFSSA-N 0 0 406.309 5.805 40 0 HKABRN Cc1cccc(-n2cccc2/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1C ZINC000409189239 559014602 /nfs/dbraw/zinc/01/46/02/559014602.db2.gz NNPHQWBCFTVKGW-DEDYPNTBSA-N 0 0 408.910 5.988 40 0 HKABRN Cc1ccc(COc2ccc(Br)cc2-c2nc3ccccc3s2)cc1 ZINC000409189279 559014617 /nfs/dbraw/zinc/01/46/17/559014617.db2.gz OOYLDSCAIFKWNQ-UHFFFAOYSA-N 0 0 410.336 6.613 40 0 HKABRN COc1c(Cl)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409189316 568510007 /nfs/dbraw/zinc/51/00/07/568510007.db2.gz JEDLWOQRIBTMSO-RIYZIHGNSA-N 0 0 414.697 5.896 40 0 HKABRN CCOc1cc(-c2nc3ccccc3s2)ccc1OCc1cccc2ccccc21 ZINC000409189397 559014618 /nfs/dbraw/zinc/01/46/18/559014618.db2.gz KNQXMSDCZGKJHJ-UHFFFAOYSA-N 0 0 411.526 7.094 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC ZINC000409189499 559014608 /nfs/dbraw/zinc/01/46/08/559014608.db2.gz PUBHFQBDRYEDMX-MHWRWJLKSA-N 0 0 424.305 5.642 40 0 HKABRN Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1Cc1ccccc1 ZINC000409189711 568510023 /nfs/dbraw/zinc/51/00/23/568510023.db2.gz NHLREIBUYWXVNZ-FYJGNVAPSA-N 0 0 422.937 6.048 40 0 HKABRN Cc1ccc(-n2cccc2/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1C ZINC000409189762 559014729 /nfs/dbraw/zinc/01/47/29/559014729.db2.gz SKNPVOZGSJWCGF-DEDYPNTBSA-N 0 0 408.910 5.988 40 0 HKABRN Brc1ccc(Cn2cc(-c3nc4ccccc4s3)c3ccccc32)cc1 ZINC000409189872 560691108 /nfs/dbraw/zinc/69/11/08/560691108.db2.gz JQVOPKIZPVJPRB-UHFFFAOYSA-N 0 0 419.347 6.729 40 0 HKABRN CCOC(=O)c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1cccc(Br)c1)N2 ZINC000409189942 560691106 /nfs/dbraw/zinc/69/11/06/560691106.db2.gz OBJNYJPLZJNMNR-LSTHTHJFSA-N 0 0 416.315 5.260 40 0 HKABRN O=C1S/C(=C/c2cc(Br)ccc2O)C(=O)N1c1ccc(Cl)cc1 ZINC000409189954 560691118 /nfs/dbraw/zinc/69/11/18/560691118.db2.gz OHKILGMSGSUUNO-RIYZIHGNSA-N 0 0 410.676 5.049 40 0 HKABRN O=C1S/C(=C/c2ccc(Sc3ccccc3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409190159 559014691 /nfs/dbraw/zinc/01/46/91/559014691.db2.gz LRCSXBJZPJLTHL-XSFVSMFZSA-N 0 0 423.946 6.732 40 0 HKABRN O=C(Cn1cc(-c2nc3ccccc3s2)c2ccccc21)Nc1ccc(F)cc1 ZINC000409190163 560689132 /nfs/dbraw/zinc/68/91/32/560689132.db2.gz LTHRNVQMTQOVME-UHFFFAOYSA-N 0 0 401.466 5.696 40 0 HKABRN CCOc1c(Br)cc(Br)cc1-c1nc2ccccc2s1 ZINC000409190307 559014603 /nfs/dbraw/zinc/01/46/03/559014603.db2.gz WMKDMWGDHLLESJ-UHFFFAOYSA-N 0 0 413.134 5.887 40 0 HKABRN O=C1S/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409190378 560689185 /nfs/dbraw/zinc/68/91/85/560689185.db2.gz XYHHPQOVTRSNFM-GHRIWEEISA-N 0 0 402.903 5.554 40 0 HKABRN COc1ccc(Br)cc1[C@@H]1Nc2ccc(Cl)cc2[C@@H]2OCCC[C@H]12 ZINC000409190566 559014626 /nfs/dbraw/zinc/01/46/26/559014626.db2.gz SIGXAKNSBGNGFV-UPRAQXHNSA-N 0 0 408.723 5.746 40 0 HKABRN CCOC(=O)c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000409190748 559014604 /nfs/dbraw/zinc/01/46/04/559014604.db2.gz VWVHYPFLIJMSNI-LSTHTHJFSA-N 0 0 416.315 5.260 40 0 HKABRN CCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc12 ZINC000409190750 559014741 /nfs/dbraw/zinc/01/47/41/559014741.db2.gz VXDKSIWOLFITPL-DEDYPNTBSA-N 0 0 409.894 6.133 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409190877 559014701 /nfs/dbraw/zinc/01/47/01/559014701.db2.gz AHFIIWZXBOAQPQ-HCZVKUGISA-N 0 0 417.914 5.767 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409190878 560689268 /nfs/dbraw/zinc/68/92/68/560689268.db2.gz AHFIIWZXBOAQPQ-KZKLBEMASA-N 0 0 417.914 5.767 40 0 HKABRN O=C1S/C(=C\c2ccccc2Sc2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409190990 559014760 /nfs/dbraw/zinc/01/47/60/559014760.db2.gz XTOIMEUTLFZDOC-ZHZULCJRSA-N 0 0 423.946 6.732 40 0 HKABRN O=C1S/C(=C/c2ccc(Br)s2)C(=O)N1c1ccc(Cl)cc1 ZINC000409191041 559014757 /nfs/dbraw/zinc/01/47/57/559014757.db2.gz RNQKUPIYPODWAZ-YRNVUSSQSA-N 0 0 400.706 5.405 40 0 HKABRN Cc1ccc(-n2cccc2/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000409191048 559014736 /nfs/dbraw/zinc/01/47/36/559014736.db2.gz ROQHWOJSEVHDCS-DEDYPNTBSA-N 0 0 408.910 5.988 40 0 HKABRN COc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000409191075 559014723 /nfs/dbraw/zinc/01/47/23/559014723.db2.gz ZJAYBLLSCROHPH-OQLLNIDSSA-N 0 0 424.703 5.352 40 0 HKABRN Fc1ccccc1COc1ccc(-c2nc3ccccc3s2)cc1Br ZINC000409191255 559014823 /nfs/dbraw/zinc/01/48/23/559014823.db2.gz FLIDLMKOEBOQPS-UHFFFAOYSA-N 0 0 414.299 6.444 40 0 HKABRN Fc1ccc(COc2ccc(-c3nc4ccccc4s3)cc2Br)cc1 ZINC000409191298 560689384 /nfs/dbraw/zinc/68/93/84/560689384.db2.gz UWZRMVZMQJRNOB-UHFFFAOYSA-N 0 0 414.299 6.444 40 0 HKABRN COc1ccc(-n2cccc2/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409191593 559014977 /nfs/dbraw/zinc/01/49/77/559014977.db2.gz IQCDKBYQSDLAEA-CPNJWEJPSA-N 0 0 410.882 5.380 40 0 HKABRN Cc1c(-c2nc3ccccc3s2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000409191672 560689518 /nfs/dbraw/zinc/68/95/18/560689518.db2.gz ZZXUXQGCLSZCBY-UHFFFAOYSA-N 0 0 423.368 7.582 40 0 HKABRN Clc1ccc(COc2ccc(Cl)cc2-c2nc3ccccc3s2)c(Cl)c1 ZINC000409191694 559015003 /nfs/dbraw/zinc/01/50/03/559015003.db2.gz KWVKBTMNOLNDGS-UHFFFAOYSA-N 0 0 420.748 7.503 40 0 HKABRN Cc1ccc(C(=O)Oc2ccccc2/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 ZINC000409191770 560689537 /nfs/dbraw/zinc/68/95/37/560689537.db2.gz MVRDMNZOPVLBIX-ZHZULCJRSA-N 0 0 417.848 5.212 40 0 HKABRN O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409191824 560689539 /nfs/dbraw/zinc/68/95/39/560689539.db2.gz ODGSWELIGAESDG-XSFVSMFZSA-N 0 0 407.878 6.373 40 0 HKABRN Clc1ccc(Cn2cc(-c3nc4ccccc4s3)c3ccccc32)c(Cl)c1 ZINC000409191919 559015013 /nfs/dbraw/zinc/01/50/13/559015013.db2.gz QJRPPHIYCLEFSI-UHFFFAOYSA-N 0 0 409.341 7.273 40 0 HKABRN CCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409192028 559014997 /nfs/dbraw/zinc/01/49/97/559014997.db2.gz SSSIRNQBXZYLGC-LDADJPATSA-N 0 0 403.887 5.378 40 0 HKABRN O=C1S/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409192055 559015053 /nfs/dbraw/zinc/01/50/53/559015053.db2.gz UAQWKHNVFQBUQU-LDADJPATSA-N 0 0 415.301 6.025 40 0 HKABRN O=C1S/C(=C/c2cc(Br)cs2)C(=O)N1c1ccc(Cl)cc1 ZINC000409192067 560689522 /nfs/dbraw/zinc/68/95/22/560689522.db2.gz UHHMHHBQOGCCQN-WUXMJOGZSA-N 0 0 400.706 5.405 40 0 HKABRN Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccnc1 ZINC000409192108 560689490 /nfs/dbraw/zinc/68/94/90/560689490.db2.gz AEFPFPZXHMAWJV-YBFXNURJSA-N 0 0 409.898 5.383 40 0 HKABRN Cc1cccc(C(=O)Oc2ccccc2/C=C2\N=C(c3ccccc3Cl)OC2=O)c1 ZINC000409192187 559014982 /nfs/dbraw/zinc/01/49/82/559014982.db2.gz VJNAVROSKASKPQ-ZHZULCJRSA-N 0 0 417.848 5.212 40 0 HKABRN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)C ZINC000409192225 559015071 /nfs/dbraw/zinc/01/50/71/559015071.db2.gz VTVPZDMTQULSCS-WOJGMQOQSA-N 0 0 403.887 5.377 40 0 HKABRN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC ZINC000409192287 559015105 /nfs/dbraw/zinc/01/51/05/559015105.db2.gz CDHDIXQSKOSKIM-OQLLNIDSSA-N 0 0 410.278 5.252 40 0 HKABRN Clc1ccc(COc2ccc3ccccc3c2-c2nc3ccccc3s2)cc1 ZINC000409192446 559015081 /nfs/dbraw/zinc/01/50/81/559015081.db2.gz XMUCSIKRJRWHLV-UHFFFAOYSA-N 0 0 401.918 7.349 40 0 HKABRN COc1cc(-c2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1Cl ZINC000409192593 559015092 /nfs/dbraw/zinc/01/50/92/559015092.db2.gz YYTKKSXUTBGTNL-UHFFFAOYSA-N 0 0 416.329 6.858 40 0 HKABRN CCOc1ccccc1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000409192804 559014853 /nfs/dbraw/zinc/01/48/53/559014853.db2.gz BLKQFAGVIPIVHE-UHFFFAOYSA-N 0 0 406.265 5.816 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1F ZINC000409192812 560689626 /nfs/dbraw/zinc/68/96/26/560689626.db2.gz BQOCNBZGPYWOFH-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN COc1cccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1OC(C)C ZINC000409193013 559014870 /nfs/dbraw/zinc/01/48/70/559014870.db2.gz HAWJAZKKRLCFRQ-GZTJUZNOSA-N 0 0 403.887 5.377 40 0 HKABRN COc1ccccc1C(=O)/N=c1\sc(-c2ccccc2)c(-c2ccccc2)n1C ZINC000409193071 559014843 /nfs/dbraw/zinc/01/48/43/559014843.db2.gz BBRXMNMNNWZJHZ-IZHYLOQSSA-N 0 0 400.503 5.170 40 0 HKABRN CCCc1sc(NC(=O)CC[C@H](O)c2ccccc2)nc1-c1cc(C)ccc1C ZINC000409193086 559014864 /nfs/dbraw/zinc/01/48/64/559014864.db2.gz BMHGBDMJLALOKB-FQEVSTJZSA-N 0 0 408.567 5.832 40 0 HKABRN CCCc1sc(NC(=O)CC[C@@H](O)c2ccccc2)nc1-c1cc(C)ccc1C ZINC000409193087 559014866 /nfs/dbraw/zinc/01/48/66/559014866.db2.gz BMHGBDMJLALOKB-HXUWFJFHSA-N 0 0 408.567 5.832 40 0 HKABRN COc1cc(C)c(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1C(C)C ZINC000409193252 559014857 /nfs/dbraw/zinc/01/48/57/559014857.db2.gz HXDMWZUFNLNGFH-YBFXNURJSA-N 0 0 401.915 6.021 40 0 HKABRN Cc1ccc(C2=Nn3c(COc4ccccc4)nnc3S[C@@H]2c2ccccc2)cc1 ZINC000409193449 560689723 /nfs/dbraw/zinc/68/97/23/560689723.db2.gz CXVOAESSTNCEEE-HSZRJFAPSA-N 0 0 412.518 5.265 40 0 HKABRN Cc1ccc(C2=Nn3c(COc4ccccc4)nnc3S[C@H]2c2ccccc2)cc1 ZINC000409193450 560689699 /nfs/dbraw/zinc/68/96/99/560689699.db2.gz CXVOAESSTNCEEE-QHCPKHFHSA-N 0 0 412.518 5.265 40 0 HKABRN COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3F)n2C)cc1 ZINC000409193461 559014831 /nfs/dbraw/zinc/01/48/31/559014831.db2.gz DFQHRKHPFRXTRZ-LCUIJRPUSA-N 0 0 418.493 5.309 40 0 HKABRN Fc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 ZINC000409193579 560689858 /nfs/dbraw/zinc/68/98/58/560689858.db2.gz HCWXKJJDVUCWFG-UHFFFAOYSA-N 0 0 404.254 5.918 40 0 HKABRN CC(C)Oc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409193722 559015140 /nfs/dbraw/zinc/01/51/40/559015140.db2.gz LQTULNANLMBXCM-LICLKQGHSA-N 0 0 408.306 6.022 40 0 HKABRN O=C1S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409193765 560689852 /nfs/dbraw/zinc/68/98/52/560689852.db2.gz LNNCTFLVQORKMN-RIYZIHGNSA-N 0 0 410.676 5.049 40 0 HKABRN CC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000409193798 559015136 /nfs/dbraw/zinc/01/51/36/559015136.db2.gz MPBMRBYRYUKDLM-UDWIEESQSA-N 0 0 423.877 6.044 40 0 HKABRN CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(C)c(Cl)c3)n2C)cc1 ZINC000409193868 559015153 /nfs/dbraw/zinc/01/51/53/559015153.db2.gz GNTXGKMYDFGKKT-LNVKXUELSA-N 0 0 400.931 5.164 40 0 HKABRN Fc1ccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)cc1 ZINC000409193937 560689848 /nfs/dbraw/zinc/68/98/48/560689848.db2.gz IGZZZEISDVFPGR-UHFFFAOYSA-N 0 0 404.254 5.918 40 0 HKABRN S=C(c1cn(Cc2ccc(Cl)cc2)c2ccccc12)N1CCc2ccccc2C1 ZINC000409193973 560689909 /nfs/dbraw/zinc/68/99/09/560689909.db2.gz JHBXHCLPWDJNLC-UHFFFAOYSA-N 0 0 416.977 6.077 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1 ZINC000409194027 559015148 /nfs/dbraw/zinc/01/51/48/559015148.db2.gz KIMJBDKLJHLXFC-UHFFFAOYSA-N 0 0 418.320 6.760 40 0 HKABRN CC[C@@H](C)n1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000409194201 559015204 /nfs/dbraw/zinc/01/52/04/559015204.db2.gz OSUYGIOWDCNFIA-MQMKENTISA-N 0 0 410.926 6.507 40 0 HKABRN CC[C@H](C)n1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000409194202 560690044 /nfs/dbraw/zinc/69/00/44/560690044.db2.gz OSUYGIOWDCNFIA-PVGUKEHMSA-N 0 0 410.926 6.507 40 0 HKABRN Fc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000409194299 560690033 /nfs/dbraw/zinc/69/00/33/560690033.db2.gz AEXVTYQTSOWIKC-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN Cc1s/c(=N\C(=O)c2ccccc2Cl)n(C)c1-c1ccc(Br)cc1 ZINC000409194301 559015156 /nfs/dbraw/zinc/01/51/56/559015156.db2.gz AHOQQPYQPQGIFE-UZYVYHOESA-N 0 0 421.747 5.219 40 0 HKABRN CCc1cccc2c(C(=O)C(F)(F)F)cn(CCCOc3ccccc3OC)c21 ZINC000409194305 559015193 /nfs/dbraw/zinc/01/51/93/559015193.db2.gz AIWCTEYLNZQSJQ-UHFFFAOYSA-N 0 0 405.416 5.426 40 0 HKABRN COc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(C)c(C)c3)sc2C)cc1 ZINC000409194318 560690053 /nfs/dbraw/zinc/69/00/53/560690053.db2.gz JYZUUUSBWGFYIL-UHFFFAOYSA-N 0 0 408.523 5.346 40 0 HKABRN COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3-c3ccccc3)n2C)cc1 ZINC000409194383 560689998 /nfs/dbraw/zinc/68/99/98/560689998.db2.gz KWQGROLFBUADFL-QPLCGJKRSA-N 0 0 414.530 5.479 40 0 HKABRN O=C1/C(=C/c2cc3c(cc2Br)OCO3)c2ccccc2N1c1ccccc1 ZINC000409194409 559015155 /nfs/dbraw/zinc/01/51/55/559015155.db2.gz LAQRNCNYNKSSOU-LICLKQGHSA-N 0 0 420.262 5.397 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(Cl)cc1OC ZINC000409194470 560690049 /nfs/dbraw/zinc/69/00/49/560690049.db2.gz LZYJRZUYYRJLRV-RQZCQDPDSA-N 0 0 424.305 5.642 40 0 HKABRN COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCCOc1ccc(Cl)cc1 ZINC000409194510 559015298 /nfs/dbraw/zinc/01/52/98/559015298.db2.gz MQHYQIUTZJZXRJ-XSFVSMFZSA-N 0 0 421.880 5.299 40 0 HKABRN O=C1S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409194584 560690042 /nfs/dbraw/zinc/69/00/42/560690042.db2.gz PHKVVYNOYNWDIG-KGENOOAVSA-N 0 0 421.905 6.160 40 0 HKABRN CN(C)c1ccc(-n2cccc2/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409194652 559015110 /nfs/dbraw/zinc/01/51/10/559015110.db2.gz QBQNFLRUCMCRJA-XSFVSMFZSA-N 0 0 423.925 5.438 40 0 HKABRN Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccc(Cl)c1 ZINC000409194731 559015347 /nfs/dbraw/zinc/01/53/47/559015347.db2.gz LSURZAHRJPFHFR-BZZOAKBMSA-N 0 0 404.922 5.815 40 0 HKABRN COc1ccc(-c2nc(NC(=O)CCC(=O)c3cc(C)ccc3C)sc2C)cc1 ZINC000409194754 559015353 /nfs/dbraw/zinc/01/53/53/559015353.db2.gz LZBMVJODYWIKRO-UHFFFAOYSA-N 0 0 408.523 5.346 40 0 HKABRN Clc1ccc(NCc2ccccc2OCc2cccc3ccccc32)cc1Cl ZINC000409194796 559015422 /nfs/dbraw/zinc/01/54/22/559015422.db2.gz MLVUVIHCUDZWFB-UHFFFAOYSA-N 0 0 408.328 7.338 40 0 HKABRN CCCc1sc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)nc1-c1ccc(F)cc1 ZINC000409194813 560690119 /nfs/dbraw/zinc/69/01/19/560690119.db2.gz MYVKLODIDNTEJC-UHFFFAOYSA-N 0 0 424.541 6.120 40 0 HKABRN Cc1s/c(=N\C(=O)c2ccccc2Br)n(C)c1-c1ccc(Cl)cc1 ZINC000409194853 559015405 /nfs/dbraw/zinc/01/54/05/559015405.db2.gz DARWHQXADVXWCO-UZYVYHOESA-N 0 0 421.747 5.219 40 0 HKABRN Cc1ccccc1OCCOc1ccc(C(=S)N2CCc3ccccc3C2)cc1 ZINC000409194865 560690117 /nfs/dbraw/zinc/69/01/17/560690117.db2.gz DIQCUKJDXVZEAS-UHFFFAOYSA-N 0 0 403.547 5.187 40 0 HKABRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3C)n2C)cc1C ZINC000409194914 559015432 /nfs/dbraw/zinc/01/54/32/559015432.db2.gz FSLXKEMQRCJMDA-RQZHXJHFSA-N 0 0 412.558 6.087 40 0 HKABRN O=C(CCC(=O)c1ccc(Br)cc1)Nc1nc(-c2ccccc2)cs1 ZINC000409194915 560690096 /nfs/dbraw/zinc/69/00/96/560690096.db2.gz FSQBCUZHSICVTN-UHFFFAOYSA-N 0 0 415.312 5.174 40 0 HKABRN O=C(CC[C@H](O)c1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000409194920 560690113 /nfs/dbraw/zinc/69/01/13/560690113.db2.gz FVXUTQDJHWWPPB-NRFANRHFSA-N 0 0 414.530 5.929 40 0 HKABRN O=C(CC[C@@H](O)c1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000409194921 560690108 /nfs/dbraw/zinc/69/01/08/560690108.db2.gz FVXUTQDJHWWPPB-OAQYLSRUSA-N 0 0 414.530 5.929 40 0 HKABRN COc1cccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccccc3)n2C)c1 ZINC000409195046 559015435 /nfs/dbraw/zinc/01/54/35/559015435.db2.gz OXBYHBCMUADXEG-IZHYLOQSSA-N 0 0 400.503 5.170 40 0 HKABRN CCOc1cc(Cl)c(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409195109 559015408 /nfs/dbraw/zinc/01/54/08/559015408.db2.gz TVTVOZVDDIBNCS-RQZCQDPDSA-N 0 0 424.305 5.642 40 0 HKABRN O=C(Nc1ccc(Br)cc1)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000409195234 559015389 /nfs/dbraw/zinc/01/53/89/559015389.db2.gz NRDJVWWZNJSAAN-UHFFFAOYSA-N 0 0 406.663 5.527 40 0 HKABRN S=C(c1cn(Cc2ccccc2)c2ccc(Br)cc12)N1CCCCC1 ZINC000409195270 559015417 /nfs/dbraw/zinc/01/54/17/559015417.db2.gz OANYNPMVDPIMPM-UHFFFAOYSA-N 0 0 413.384 5.614 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccccc2-c2ccccc2)n(C)c1-c1ccc(F)cc1 ZINC000409195298 560690202 /nfs/dbraw/zinc/69/02/02/560690202.db2.gz OGHPQZHHOQCHJL-RFBIWTDZSA-N 0 0 416.521 5.863 40 0 HKABRN CCOc1cc(C(=S)N2CCCCC2)ccc1OCc1cccc2ccccc21 ZINC000409195344 560690220 /nfs/dbraw/zinc/69/02/20/560690220.db2.gz HVQTXEAIHOUOBA-UHFFFAOYSA-N 0 0 405.563 5.979 40 0 HKABRN CCCc1sc(NC(=O)CCC(=O)c2cc(C)ccc2C)nc1-c1ccc(F)cc1 ZINC000409195374 559015451 /nfs/dbraw/zinc/01/54/51/559015451.db2.gz ICRWEMWXWRQNER-UHFFFAOYSA-N 0 0 424.541 6.120 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409195526 559015430 /nfs/dbraw/zinc/01/54/30/559015430.db2.gz WDLSWLBICOBQMK-HWQJWEFDSA-N 0 0 422.333 6.412 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409195527 559015434 /nfs/dbraw/zinc/01/54/34/559015434.db2.gz WDLSWLBICOBQMK-MBNTZHJCSA-N 0 0 422.333 6.412 40 0 HKABRN Fc1ccc(COc2ccc(CNc3ccc(Br)cc3)cc2Cl)cc1 ZINC000409195564 560690266 /nfs/dbraw/zinc/69/02/66/560690266.db2.gz QYSFFISLVHMQRL-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN Fc1ccc(COc2ccc(CNc3ccc(F)cc3)cc2Br)cc1 ZINC000409195607 559015399 /nfs/dbraw/zinc/01/53/99/559015399.db2.gz JJWDGATWDSKHNL-UHFFFAOYSA-N 0 0 404.254 5.918 40 0 HKABRN Cc1s/c(=N\C(=O)c2cccc(Br)c2)n(C)c1-c1ccc(Cl)cc1 ZINC000409195693 560690356 /nfs/dbraw/zinc/69/03/56/560690356.db2.gz KESCHFPMYANMPI-UZYVYHOESA-N 0 0 421.747 5.219 40 0 HKABRN Brc1ccc(NCc2ccccc2OCc2cccc3ccccc32)cc1 ZINC000409195706 559015403 /nfs/dbraw/zinc/01/54/03/559015403.db2.gz KGNSRGZIYHFMEB-UHFFFAOYSA-N 0 0 418.334 6.793 40 0 HKABRN Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc(Cl)cc1 ZINC000409195726 560690352 /nfs/dbraw/zinc/69/03/52/560690352.db2.gz KMAIIHVPKBPEGP-BZZOAKBMSA-N 0 0 404.922 5.815 40 0 HKABRN CCCc1sc(NC(=O)CCC(=O)c2ccc(C)cc2C)nc1-c1ccccc1 ZINC000409195794 559015428 /nfs/dbraw/zinc/01/54/28/559015428.db2.gz QMULNLMKIMFKNL-UHFFFAOYSA-N 0 0 406.551 5.981 40 0 HKABRN CCOc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(OC)cc3)sc2C)cc1 ZINC000409195863 559015444 /nfs/dbraw/zinc/01/54/44/559015444.db2.gz RHEMPZVKEKAAPV-UHFFFAOYSA-N 0 0 424.522 5.127 40 0 HKABRN Fc1cccc(COc2ccc(Cl)cc2CNc2ccc(Cl)c(Cl)c2)c1 ZINC000409195875 559015407 /nfs/dbraw/zinc/01/54/07/559015407.db2.gz RNIZCQATMRBQCY-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN Brc1ccc(NCc2ccc(OCc3cccc4ccccc43)cc2)cc1 ZINC000409195889 559015394 /nfs/dbraw/zinc/01/53/94/559015394.db2.gz RTLZXQKKPDNDKL-UHFFFAOYSA-N 0 0 418.334 6.793 40 0 HKABRN COc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409195900 559015592 /nfs/dbraw/zinc/01/55/92/559015592.db2.gz RYMSBXSBHAQEGA-UHFFFAOYSA-N 0 0 421.899 6.832 40 0 HKABRN Cc1sc(NC(=O)CC[C@H](O)c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000409195916 559015566 /nfs/dbraw/zinc/01/55/66/559015566.db2.gz SNAGLFOSIBBUAD-KRWDZBQOSA-N 0 0 421.349 5.878 40 0 HKABRN Cc1sc(NC(=O)CC[C@@H](O)c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000409195917 559015548 /nfs/dbraw/zinc/01/55/48/559015548.db2.gz SNAGLFOSIBBUAD-QGZVFWFLSA-N 0 0 421.349 5.878 40 0 HKABRN COc1cc(CNc2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 ZINC000409195932 560690368 /nfs/dbraw/zinc/69/03/68/560690368.db2.gz SUZPTRVMZNDLND-UHFFFAOYSA-N 0 0 416.290 5.788 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(C)c1-c1ccc(OC)cc1 ZINC000409196013 559015515 /nfs/dbraw/zinc/01/55/15/559015515.db2.gz SGIXJMIHYQBTBK-ATJXCDBQSA-N 0 0 421.349 5.373 40 0 HKABRN CCCc1sc(NC(=O)CCC(=O)c2ccc(C)cc2C)nc1-c1ccc(F)cc1 ZINC000409196021 559015559 /nfs/dbraw/zinc/01/55/59/559015559.db2.gz MJSJMKNFSMOFBK-UHFFFAOYSA-N 0 0 424.541 6.120 40 0 HKABRN S=C(c1ccc(OCCOc2ccc(Cl)cc2)cc1)N1CCc2ccccc2C1 ZINC000409196022 559015538 /nfs/dbraw/zinc/01/55/38/559015538.db2.gz SHTUBYMZYGYBFZ-UHFFFAOYSA-N 0 0 423.965 5.532 40 0 HKABRN COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCCOc1ccccc1Cl ZINC000409196080 560690343 /nfs/dbraw/zinc/69/03/43/560690343.db2.gz SSEHQXUNQBBULC-NBVRZTHBSA-N 0 0 421.880 5.299 40 0 HKABRN CCCc1sc(NC(=O)CC[C@@H](O)c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000409196183 560690425 /nfs/dbraw/zinc/69/04/25/560690425.db2.gz NTSRGRVZRGOCLB-GOSISDBHSA-N 0 0 414.958 5.868 40 0 HKABRN CCCc1sc(NC(=O)CC[C@H](O)c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000409196185 560690467 /nfs/dbraw/zinc/69/04/67/560690467.db2.gz NTSRGRVZRGOCLB-SFHVURJKSA-N 0 0 414.958 5.868 40 0 HKABRN Cc1s/c(=N\C(=O)c2cccc(Cl)c2)n(C)c1-c1ccc(Br)cc1 ZINC000409196211 559015575 /nfs/dbraw/zinc/01/55/75/559015575.db2.gz NYSYWWXANNBUJE-UZYVYHOESA-N 0 0 421.747 5.219 40 0 HKABRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3Cl)n2C)cc1 ZINC000409196226 559015571 /nfs/dbraw/zinc/01/55/71/559015571.db2.gz OCMSFGGWOCHOMS-LCUIJRPUSA-N 0 0 418.949 6.124 40 0 HKABRN Clc1ccc(OCc2ccc(Cl)c(Cl)c2)c(-c2nc3ccccc3s2)c1 ZINC000409196311 560690423 /nfs/dbraw/zinc/69/04/23/560690423.db2.gz YUJSZAPEHLWBGO-UHFFFAOYSA-N 0 0 420.748 7.503 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(C)c1-c1ccc(F)cc1 ZINC000409196318 560690420 /nfs/dbraw/zinc/69/04/20/560690420.db2.gz SZHGDUAINUMPCZ-NMWGTECJSA-N 0 0 409.313 5.503 40 0 HKABRN Fc1cccc(Cn2cc(C(=S)N3CCc4ccccc4C3)c3ccccc32)c1 ZINC000409196351 559015332 /nfs/dbraw/zinc/01/53/32/559015332.db2.gz UCICODWNGSFZLN-UHFFFAOYSA-N 0 0 400.522 5.563 40 0 HKABRN Fc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 ZINC000409196430 560690490 /nfs/dbraw/zinc/69/04/90/560690490.db2.gz VDJNQKWCQYSMOK-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN CCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cc1 ZINC000409196461 560690452 /nfs/dbraw/zinc/69/04/52/560690452.db2.gz WASDJIHRYATKMZ-UHFFFAOYSA-N 0 0 408.523 5.427 40 0 HKABRN S=C(c1cn(CCOc2ccccc2)c2ccccc12)N1CCc2ccccc2C1 ZINC000409196464 560690463 /nfs/dbraw/zinc/69/04/63/560690463.db2.gz WBITUKILFUWYJG-UHFFFAOYSA-N 0 0 412.558 5.454 40 0 HKABRN Fc1cccc(Cl)c1COc1cccc(C(=S)N2CCc3ccccc3C2)c1 ZINC000409196513 559015284 /nfs/dbraw/zinc/01/52/84/559015284.db2.gz OJINMNGPIFTMDU-UHFFFAOYSA-N 0 0 411.929 5.792 40 0 HKABRN CCOc1cc(CNc2ccc(F)cc2)ccc1OCc1cccc2ccccc21 ZINC000409196578 559015357 /nfs/dbraw/zinc/01/53/57/559015357.db2.gz WKKJPCWRIHANJS-UHFFFAOYSA-N 0 0 401.481 6.569 40 0 HKABRN COc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(C)cc3C)sc2C)cc1 ZINC000409196702 560690553 /nfs/dbraw/zinc/69/05/53/560690553.db2.gz YQRJTGYEYVYGNX-UHFFFAOYSA-N 0 0 408.523 5.346 40 0 HKABRN Cc1ccc(C2=N/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C(=O)O2)cc1Cl ZINC000409196729 559015345 /nfs/dbraw/zinc/01/53/45/559015345.db2.gz WQGYUQGZIKJLRJ-WSDLNYQXSA-N 0 0 421.855 5.711 40 0 HKABRN CCCc1sc(NC(=O)CCC(=O)c2ccc(C(C)C)cc2)nc1-c1ccccc1 ZINC000409196744 560690547 /nfs/dbraw/zinc/69/05/47/560690547.db2.gz WZRGIGFTKWKICA-UHFFFAOYSA-N 0 0 420.578 6.488 40 0 HKABRN Cc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(C)c(C)c3)n2C)cc1 ZINC000409196898 560690536 /nfs/dbraw/zinc/69/05/36/560690536.db2.gz ZWZYAOHCTPMHQB-RQZHXJHFSA-N 0 0 412.558 6.087 40 0 HKABRN Fc1ccc(Cn2cc(C(=S)N3CCc4ccccc4C3)c3ccccc32)cc1 ZINC000409196916 559015362 /nfs/dbraw/zinc/01/53/62/559015362.db2.gz SCFZVRVUHINQNC-UHFFFAOYSA-N 0 0 400.522 5.563 40 0 HKABRN O=C(CCC(=O)c1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000409196923 560690584 /nfs/dbraw/zinc/69/05/84/560690584.db2.gz SIXCITUARHGZET-UHFFFAOYSA-N 0 0 412.514 6.079 40 0 HKABRN CCOc1cc(C(=S)N2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000409196944 559015354 /nfs/dbraw/zinc/01/53/54/559015354.db2.gz SVZSDGAKTLQBIS-UHFFFAOYSA-N 0 0 424.393 6.133 40 0 HKABRN Fc1cccc(Cl)c1COc1ccc(C(=S)N2CCc3ccccc3C2)cc1 ZINC000409196948 559015375 /nfs/dbraw/zinc/01/53/75/559015375.db2.gz SZSYCSVJLNDNSN-UHFFFAOYSA-N 0 0 411.929 5.792 40 0 HKABRN CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(Cl)cc3Cl)n2C)cc1 ZINC000409197022 559015300 /nfs/dbraw/zinc/01/53/00/559015300.db2.gz UBNSVGVVOFFUKY-ATJXCDBQSA-N 0 0 421.349 5.509 40 0 HKABRN CCOc1cc(C(=S)N2CCCCC2)ccc1OCCOc1ccccc1Cl ZINC000409197030 559015275 /nfs/dbraw/zinc/01/52/75/559015275.db2.gz UIPINQHZBVOWLX-UHFFFAOYSA-N 0 0 419.974 5.358 40 0 HKABRN CCCCOc1ccc2ccccc2c1/C=C1\NC(=O)N(Cc2ccccc2)C1=O ZINC000409197036 559015281 /nfs/dbraw/zinc/01/52/81/559015281.db2.gz ULHDPDCKXMATCC-JWGURIENSA-N 0 0 400.478 5.112 40 0 HKABRN O=C(CSc1ccc2ccccc2c1)Nc1ccc(Cl)c(Br)c1 ZINC000409197062 560690633 /nfs/dbraw/zinc/69/06/33/560690633.db2.gz VCPGATNOKRYJEM-UHFFFAOYSA-N 0 0 406.732 5.987 40 0 HKABRN COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3C)n2C)cc1 ZINC000409197110 560690637 /nfs/dbraw/zinc/69/06/37/560690637.db2.gz WDRJUZHPTNXNIK-QPLCGJKRSA-N 0 0 414.530 5.479 40 0 HKABRN CCc1cccc2c(C(=O)C(F)(F)F)cn(CCCOc3ccccc3Cl)c21 ZINC000409197141 560690635 /nfs/dbraw/zinc/69/06/35/560690635.db2.gz WVWKZUJGEVCBON-UHFFFAOYSA-N 0 0 409.835 6.071 40 0 HKABRN CCOc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1cccc(C)c1 ZINC000409197273 559015840 /nfs/dbraw/zinc/01/58/40/559015840.db2.gz AIDJZGQAXFRCCX-UHFFFAOYSA-N 0 0 417.574 5.707 40 0 HKABRN Fc1ccccc1COc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000409197303 560690657 /nfs/dbraw/zinc/69/06/57/560690657.db2.gz AYLMJSSFVHISHK-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN Cc1s/c(=N\C(=O)c2ccccc2-c2ccccc2)n(C)c1-c1ccc(Cl)cc1 ZINC000409197325 559016168 /nfs/dbraw/zinc/01/61/68/559016168.db2.gz BIOSOHRRGHOPKA-LCUIJRPUSA-N 0 0 418.949 6.124 40 0 HKABRN Cc1sc(=NC(=O)C(c2ccccc2)c2ccccc2)n(C)c1-c1ccc(C)cc1 ZINC000409197338 560690621 /nfs/dbraw/zinc/69/06/21/560690621.db2.gz CAULTVJPFSXBHL-RQZHXJHFSA-N 0 0 412.558 5.630 40 0 HKABRN Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccc(F)c1 ZINC000409197359 560690651 /nfs/dbraw/zinc/69/06/51/560690651.db2.gz CQYXIMKRVOCOOA-RWEWTDSWSA-N 0 0 422.912 5.954 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1Cl ZINC000409197393 560690643 /nfs/dbraw/zinc/69/06/43/560690643.db2.gz DKGIPMVWKMSEOJ-UHFFFAOYSA-N 0 0 410.684 6.380 40 0 HKABRN CCOc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(C)cc3C)sc2C)cc1 ZINC000409197428 560690642 /nfs/dbraw/zinc/69/06/42/560690642.db2.gz FEORWOUDCAHMDS-UHFFFAOYSA-N 0 0 422.550 5.736 40 0 HKABRN COc1ccc(Cl)cc1C(=O)/N=c1\sc(C)c(-c2ccc(Cl)cc2)n1C ZINC000409197436 559016455 /nfs/dbraw/zinc/01/64/55/559016455.db2.gz FJJYWYZLPKVNIE-QOCHGBHMSA-N 0 0 407.322 5.119 40 0 HKABRN COc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(C)cc3)n2C)cc1 ZINC000409197523 559016414 /nfs/dbraw/zinc/01/64/14/559016414.db2.gz HUMMHEZKRILMFA-QPLCGJKRSA-N 0 0 414.530 5.479 40 0 HKABRN CCCc1sc(NC(=O)CCC(=O)c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000409197579 560690648 /nfs/dbraw/zinc/69/06/48/560690648.db2.gz IZUYNWHFUZWTMK-UHFFFAOYSA-N 0 0 412.942 6.018 40 0 HKABRN CCOc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1ccccc1 ZINC000409197590 560690655 /nfs/dbraw/zinc/69/06/55/560690655.db2.gz JMGFZLHKJGLXSZ-UHFFFAOYSA-N 0 0 403.547 5.398 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1 ZINC000409197630 559016515 /nfs/dbraw/zinc/01/65/15/559016515.db2.gz KSWRYUUPAMTPTM-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN Fc1ccccc1Cn1cc(C(=S)N2CCc3ccccc3C2)c2ccccc21 ZINC000409197671 560690787 /nfs/dbraw/zinc/69/07/87/560690787.db2.gz LVBRELIYHOYSRN-UHFFFAOYSA-N 0 0 400.522 5.563 40 0 HKABRN Cc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(Cl)cc3)n2C)cc1 ZINC000409197747 559015556 /nfs/dbraw/zinc/01/55/56/559015556.db2.gz NXKRXDFPFDBULT-LCUIJRPUSA-N 0 0 418.949 6.124 40 0 HKABRN CCCc1sc(NC(=O)CCC(=O)c2ccccc2)nc1-c1ccc(OCC)cc1 ZINC000409197832 559015588 /nfs/dbraw/zinc/01/55/88/559015588.db2.gz PSHRRQRDOQYJOI-UHFFFAOYSA-N 0 0 422.550 5.763 40 0 HKABRN Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccs1 ZINC000409197841 559015577 /nfs/dbraw/zinc/01/55/77/559015577.db2.gz PZNZPAUKNKCAJJ-LNVKXUELSA-N 0 0 410.951 5.877 40 0 HKABRN CCc1cccc2c(C(=O)C(F)(F)F)cn(CCOc3ccc(C(C)(C)C)cc3)c21 ZINC000409197860 559015595 /nfs/dbraw/zinc/01/55/95/559015595.db2.gz QIDXRJPBZMLVTQ-UHFFFAOYSA-N 0 0 417.471 6.325 40 0 HKABRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc(F)c3)n2C)cc1 ZINC000409197883 560690761 /nfs/dbraw/zinc/69/07/61/560690761.db2.gz QZKADQAUNIUAHM-LCUIJRPUSA-N 0 0 402.494 5.609 40 0 HKABRN Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 ZINC000409197918 560690792 /nfs/dbraw/zinc/69/07/92/560690792.db2.gz RXNDVPRUHPWAEO-UHFFFAOYSA-N 0 0 409.791 6.092 40 0 HKABRN Cc1sc(NC(=O)CCC(=O)c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000409197920 559015582 /nfs/dbraw/zinc/01/55/82/559015582.db2.gz RYPYXOMPHJLGTA-UHFFFAOYSA-N 0 0 419.333 6.027 40 0 HKABRN CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409197944 560690740 /nfs/dbraw/zinc/69/07/40/560690740.db2.gz SJIIWUJFAJJRFG-UHFFFAOYSA-N 0 0 408.473 5.162 40 0 HKABRN CCCCOc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(OCC)cc3)n2C)cc1 ZINC000409198013 560690732 /nfs/dbraw/zinc/69/07/32/560690732.db2.gz UKXMRCQQYGOAIP-IZHYLOQSSA-N 0 0 424.566 5.381 40 0 HKABRN COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3)n2C)cc1 ZINC000409198191 559016738 /nfs/dbraw/zinc/01/67/38/559016738.db2.gz ZLADSOFOMYOJHU-IZHYLOQSSA-N 0 0 400.503 5.170 40 0 HKABRN O=C(COC(=O)c1ccccc1Cl)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409198283 559016660 /nfs/dbraw/zinc/01/66/60/559016660.db2.gz BQABOWHDGQVKPW-UHFFFAOYSA-N 0 0 423.940 5.603 40 0 HKABRN Cc1cccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(Cl)cc3)n2C)c1 ZINC000409198292 559016605 /nfs/dbraw/zinc/01/66/05/559016605.db2.gz BRXAEJFVRYLJJG-LCUIJRPUSA-N 0 0 418.949 6.124 40 0 HKABRN Fc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000409198317 560690876 /nfs/dbraw/zinc/69/08/76/560690876.db2.gz CHPSHYYSZIHSKA-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN CCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 ZINC000409198386 559016681 /nfs/dbraw/zinc/01/66/81/559016681.db2.gz FJLJCEKSFCHKNP-UHFFFAOYSA-N 0 0 424.522 5.127 40 0 HKABRN Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc(F)cc1 ZINC000409198478 560690886 /nfs/dbraw/zinc/69/08/86/560690886.db2.gz GMFMMZLDYMNRID-RWEWTDSWSA-N 0 0 422.912 5.954 40 0 HKABRN Fc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 ZINC000409198486 560690855 /nfs/dbraw/zinc/69/08/55/560690855.db2.gz BDKRHGHZXQXGEK-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN CCc1cccc2c(C(=O)C(F)(F)F)cn(CCOc3cccc4ccccc43)c21 ZINC000409198503 559016642 /nfs/dbraw/zinc/01/66/42/559016642.db2.gz GTILBRDRPAIICS-UHFFFAOYSA-N 0 0 411.423 6.181 40 0 HKABRN COc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(C(C)C)cc3)sc2C)cc1 ZINC000409198538 559016743 /nfs/dbraw/zinc/01/67/43/559016743.db2.gz BUVSASOQPYWNRO-UHFFFAOYSA-N 0 0 422.550 5.852 40 0 HKABRN Fc1ccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 ZINC000409198540 559016746 /nfs/dbraw/zinc/01/67/46/559016746.db2.gz BVPMTUIXFIQAMQ-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)Nc3cc(C)cc(C)c3)c21 ZINC000409198552 559016757 /nfs/dbraw/zinc/01/67/57/559016757.db2.gz BYAMDGWUQZPQRW-UHFFFAOYSA-N 0 0 402.416 5.204 40 0 HKABRN COc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1ccc(F)cc1 ZINC000409198567 559016751 /nfs/dbraw/zinc/01/67/51/559016751.db2.gz CBNBXSRUOLSVTE-UHFFFAOYSA-N 0 0 407.510 5.147 40 0 HKABRN O=C1N/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccccc1 ZINC000409198644 559016730 /nfs/dbraw/zinc/01/67/30/559016730.db2.gz IZMNLJUMZJAXRU-HYARGMPZSA-N 0 0 418.880 5.012 40 0 HKABRN COc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1ccccc1Cl ZINC000409198654 560691009 /nfs/dbraw/zinc/69/10/09/560691009.db2.gz JEDUKKWBKDTODR-UHFFFAOYSA-N 0 0 423.965 5.661 40 0 HKABRN COc1ccc(OC)c(C(=O)CCC(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c1 ZINC000409198663 559016745 /nfs/dbraw/zinc/01/67/45/559016745.db2.gz CRQWNSXHEIEJFG-UHFFFAOYSA-N 0 0 424.522 5.046 40 0 HKABRN CCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1 ZINC000409198675 559016734 /nfs/dbraw/zinc/01/67/34/559016734.db2.gz CUBUWTJQWVGVES-UHFFFAOYSA-N 0 0 412.486 5.258 40 0 HKABRN O=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)c(Br)c1 ZINC000409198692 560690941 /nfs/dbraw/zinc/69/09/41/560690941.db2.gz JUHHIEWDDHVUCR-UHFFFAOYSA-N 0 0 413.749 5.443 40 0 HKABRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc(Cl)c3)n2C)cc1 ZINC000409198704 559016749 /nfs/dbraw/zinc/01/67/49/559016749.db2.gz JYKDJJVNWIMJRE-LCUIJRPUSA-N 0 0 418.949 6.124 40 0 HKABRN Cc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(C)c1-c1ccc(Cl)cc1 ZINC000409198810 559016732 /nfs/dbraw/zinc/01/67/32/559016732.db2.gz LGCZQEIMSAORIW-FLFQWRMESA-N 0 0 400.975 5.359 40 0 HKABRN Cc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4)cc3)C(=O)O2)cc1Cl ZINC000409198823 560691012 /nfs/dbraw/zinc/69/10/12/560691012.db2.gz FSADWAPAMPUEFY-BKUYFWCQSA-N 0 0 417.848 5.212 40 0 HKABRN CCCc1sc(NC(=O)CC[C@H](O)c2ccccc2)nc1-c1ccc(OCC)cc1 ZINC000409199204 559016831 /nfs/dbraw/zinc/01/68/31/559016831.db2.gz HNVKBDLCSXYOCK-FQEVSTJZSA-N 0 0 424.566 5.614 40 0 HKABRN CCCc1sc(NC(=O)CC[C@@H](O)c2ccccc2)nc1-c1ccc(OCC)cc1 ZINC000409199206 559016849 /nfs/dbraw/zinc/01/68/49/559016849.db2.gz HNVKBDLCSXYOCK-HXUWFJFHSA-N 0 0 424.566 5.614 40 0 HKABRN COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(F)c1 ZINC000409199482 559016965 /nfs/dbraw/zinc/01/69/65/559016965.db2.gz OAOHWWSFRSJJDG-UHFFFAOYSA-N 0 0 406.284 6.332 40 0 HKABRN CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(CC)cc1 ZINC000409199503 559016953 /nfs/dbraw/zinc/01/69/53/559016953.db2.gz DDNOQLRKGZVJRL-UHFFFAOYSA-N 0 0 422.598 5.237 40 0 HKABRN Cc1ccc(Cn2cc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 ZINC000409199597 559016948 /nfs/dbraw/zinc/01/69/48/559016948.db2.gz PIIAGPLONOLTDX-IWIPYMOSSA-N 0 0 421.500 5.091 40 0 HKABRN CCOc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(C)cc3)sc2C)cc1 ZINC000409199657 559016964 /nfs/dbraw/zinc/01/69/64/559016964.db2.gz IMZDMJSAVWGSJG-UHFFFAOYSA-N 0 0 408.523 5.427 40 0 HKABRN Cc1sc(NC(=O)CCC(=O)c2ccc(F)cc2)nc1-c1ccc(Cl)cc1 ZINC000409199668 560692393 /nfs/dbraw/zinc/69/23/93/560692393.db2.gz IQNGFTXAVYHHKL-UHFFFAOYSA-N 0 0 402.878 5.513 40 0 HKABRN CCCCCN1C(=O)S/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O ZINC000409199696 559016941 /nfs/dbraw/zinc/01/69/41/559016941.db2.gz CRVHVCVRGBTTEY-ATVHPVEESA-N 0 0 409.429 6.192 40 0 HKABRN CCOc1cc(C)c(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1C(C)C ZINC000409199768 559016946 /nfs/dbraw/zinc/01/69/46/559016946.db2.gz DPPOYIJCZLHYGM-RGVLZGJSSA-N 0 0 415.942 6.411 40 0 HKABRN CCCc1sc(NC(=O)CCC(=O)c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000409200289 559016962 /nfs/dbraw/zinc/01/69/62/559016962.db2.gz REXVNXLPFFJDFU-UHFFFAOYSA-N 0 0 406.551 5.981 40 0 HKABRN Cc1ccc(-n2cccc2/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)c1 ZINC000409200358 559017070 /nfs/dbraw/zinc/01/70/70/559017070.db2.gz IDRLMAZVOQQTNV-DEDYPNTBSA-N 0 0 408.910 5.988 40 0 HKABRN COc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1cccc(C)c1 ZINC000409200419 559017063 /nfs/dbraw/zinc/01/70/63/559017063.db2.gz LHMZBUIBFYWTAX-UHFFFAOYSA-N 0 0 403.547 5.316 40 0 HKABRN O=C(Nc1cccc(Br)c1)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000409200440 560692548 /nfs/dbraw/zinc/69/25/48/560692548.db2.gz LJRBASQLEDEUJW-UHFFFAOYSA-N 0 0 406.663 5.527 40 0 HKABRN CC(C)Oc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409200475 559016955 /nfs/dbraw/zinc/01/69/55/559016955.db2.gz ILSSCGHKPYUREN-RQZCQDPDSA-N 0 0 408.306 6.022 40 0 HKABRN Cc1cc(Cl)ccc1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000409200495 560692608 /nfs/dbraw/zinc/69/26/08/560692608.db2.gz LZKTYHPDCSZOBK-UHFFFAOYSA-N 0 0 410.684 6.380 40 0 HKABRN O=C1S/C(=C/c2ccc(Br)s2)C(=O)N1c1cccc(Cl)c1 ZINC000409200810 560692680 /nfs/dbraw/zinc/69/26/80/560692680.db2.gz JTJWCHYEHMAAMC-YRNVUSSQSA-N 0 0 400.706 5.405 40 0 HKABRN CCOc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc12 ZINC000409200836 560692695 /nfs/dbraw/zinc/69/26/95/560692695.db2.gz KBNLULATVSQROE-UDWIEESQSA-N 0 0 409.894 6.133 40 0 HKABRN Cc1ccc(S(=O)(=O)/N=c2\sc(-c3ccccc3)c(-c3ccccc3)n2C)cc1 ZINC000409200970 559017240 /nfs/dbraw/zinc/01/72/40/559017240.db2.gz UFSGMHDTAQATOA-VHXPQNKSSA-N 0 0 420.559 5.019 40 0 HKABRN Cc1sc(=NC(=O)C(c2ccccc2)c2ccccc2)n(C)c1-c1ccc(F)cc1 ZINC000409201007 559017234 /nfs/dbraw/zinc/01/72/34/559017234.db2.gz MYKCEOXSBDELIF-RFBIWTDZSA-N 0 0 416.521 5.461 40 0 HKABRN Fc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 ZINC000409201073 559017221 /nfs/dbraw/zinc/01/72/21/559017221.db2.gz UYBGNZRDBOFSGJ-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN O=C1N/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1Cc1ccccc1 ZINC000409201157 559017252 /nfs/dbraw/zinc/01/72/52/559017252.db2.gz VYVVSKQZTPTLJE-WOJGMQOQSA-N 0 0 413.260 5.346 40 0 HKABRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(F)cc3)n2C)cc1 ZINC000409201163 560692924 /nfs/dbraw/zinc/69/29/24/560692924.db2.gz WAOKXOLMOZSFPB-LCUIJRPUSA-N 0 0 402.494 5.609 40 0 HKABRN COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccs3)n2C)cc1 ZINC000409201197 560692910 /nfs/dbraw/zinc/69/29/10/560692910.db2.gz OGDXJYXBEPKXKU-FCQUAONHSA-N 0 0 406.532 5.232 40 0 HKABRN COc1cc(Cl)c(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000409201387 560692950 /nfs/dbraw/zinc/69/29/50/560692950.db2.gz MNHIVJJHTHRSQG-FRKPEAEDSA-N 0 0 410.278 5.252 40 0 HKABRN S=C(c1cn(Cc2ccccc2Cl)c2ccccc12)N1CCc2ccccc2C1 ZINC000409201605 559017215 /nfs/dbraw/zinc/01/72/15/559017215.db2.gz WRPWDWJTXNEXFI-UHFFFAOYSA-N 0 0 416.977 6.077 40 0 HKABRN CCCCOc1ccc(C(=O)/N=c2\sc(CC)c(-c3ccc(OC)cc3)n2C)cc1 ZINC000409201683 559017196 /nfs/dbraw/zinc/01/71/96/559017196.db2.gz XHHWBMJYBPBFMX-IZHYLOQSSA-N 0 0 424.566 5.245 40 0 HKABRN CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O ZINC000409201820 560693113 /nfs/dbraw/zinc/69/31/13/560693113.db2.gz OCEHUECPEPSUJJ-ZHZULCJRSA-N 0 0 415.942 6.146 40 0 HKABRN O=C1S/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409202040 560693237 /nfs/dbraw/zinc/69/32/37/560693237.db2.gz OBLIYTMFQWIJKV-LDADJPATSA-N 0 0 415.301 6.025 40 0 HKABRN Cc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccccc3)n2C)cc1Cl ZINC000409202112 560693252 /nfs/dbraw/zinc/69/32/52/560693252.db2.gz ZRUSUZQCHYYLSL-LCUIJRPUSA-N 0 0 418.949 6.124 40 0 HKABRN O=C1S/C(=C/c2cc(Br)ccc2O)C(=O)N1c1cccc(Cl)c1 ZINC000409202240 559017357 /nfs/dbraw/zinc/01/73/57/559017357.db2.gz QRBNOSFHNMKXIH-VGOFMYFVSA-N 0 0 410.676 5.049 40 0 HKABRN Cc1ccc(C(=O)OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000409202388 559017044 /nfs/dbraw/zinc/01/70/44/559017044.db2.gz SGNIJGRTNUSHMD-UHFFFAOYSA-N 0 0 403.522 5.258 40 0 HKABRN CCOc1cc(C(=S)N2CCCCC2)ccc1OCCOc1ccc(Cl)cc1 ZINC000409202555 559017140 /nfs/dbraw/zinc/01/71/40/559017140.db2.gz UKDVFFTUPBDBFJ-UHFFFAOYSA-N 0 0 419.974 5.358 40 0 HKABRN Cc1sc(NC(=O)CCC(=O)c2ccc(C(C)C)cc2)nc1-c1ccc(F)cc1 ZINC000409202575 560693384 /nfs/dbraw/zinc/69/33/84/560693384.db2.gz UQOFUSMLWXDQOG-UHFFFAOYSA-N 0 0 410.514 5.983 40 0 HKABRN CCCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OCC ZINC000409202900 559017600 /nfs/dbraw/zinc/01/76/00/559017600.db2.gz UCWAYDQGFOVDGF-PGMHBOJBSA-N 0 0 411.523 5.153 40 0 HKABRN COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(Cl)cc3Cl)n2C)cc1 ZINC000409203027 560693603 /nfs/dbraw/zinc/69/36/03/560693603.db2.gz VWRKEOMPNMAMMO-QOCHGBHMSA-N 0 0 407.322 5.119 40 0 HKABRN O=C1S/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)C(=O)N1c1ccccc1 ZINC000409203088 559017753 /nfs/dbraw/zinc/01/77/53/559017753.db2.gz UYIITKBCNIVQPE-PDGQHHTCSA-N 0 0 415.392 6.206 40 0 HKABRN CCOc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(F)c1 ZINC000409203249 559017390 /nfs/dbraw/zinc/01/73/90/559017390.db2.gz XCOIWLBERWXQCB-UHFFFAOYSA-N 0 0 420.311 6.722 40 0 HKABRN CC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(CCc4ccccc4)C3=O)o2)cc1 ZINC000409203475 559017484 /nfs/dbraw/zinc/01/74/84/559017484.db2.gz XHKUEZLNKDMQMR-PXLXIMEGSA-N 0 0 417.486 5.428 40 0 HKABRN O=C1N/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1Cc1ccccc1 ZINC000409203843 559017482 /nfs/dbraw/zinc/01/74/82/559017482.db2.gz ZVUWRNHQOBOMBJ-LDADJPATSA-N 0 0 412.367 5.058 40 0 HKABRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3F)n2C)cc1C ZINC000409203990 559017562 /nfs/dbraw/zinc/01/75/62/559017562.db2.gz AXEQIPRVEZVPIV-RFBIWTDZSA-N 0 0 416.521 5.918 40 0 HKABRN CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)N(CC)c3ccccc3)c21 ZINC000409204083 560693984 /nfs/dbraw/zinc/69/39/84/560693984.db2.gz APJMOQVAAUVQMQ-UHFFFAOYSA-N 0 0 402.416 5.002 40 0 HKABRN Cc1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@@H](c2ccccc2)S3)cc1 ZINC000409204093 559017586 /nfs/dbraw/zinc/01/75/86/559017586.db2.gz AXNWVJGPVJHQOL-HSZRJFAPSA-N 0 0 412.518 5.265 40 0 HKABRN Cc1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@H](c2ccccc2)S3)cc1 ZINC000409204094 559017553 /nfs/dbraw/zinc/01/75/53/559017553.db2.gz AXNWVJGPVJHQOL-QHCPKHFHSA-N 0 0 412.518 5.265 40 0 HKABRN O=C1N/C(=C/c2cccc(OCc3ccccc3Cl)c2)C(=O)N1Cc1ccccc1 ZINC000409204139 560693962 /nfs/dbraw/zinc/69/39/62/560693962.db2.gz CAJINFUKEZRQHF-HYARGMPZSA-N 0 0 418.880 5.012 40 0 HKABRN Cc1sc(NC(=O)CCC(=O)c2ccc(C(C)C)cc2)nc1-c1ccc(C)cc1 ZINC000409204149 559017578 /nfs/dbraw/zinc/01/75/78/559017578.db2.gz CHDIXINNZSBXJD-UHFFFAOYSA-N 0 0 406.551 6.152 40 0 HKABRN CCCc1sc(NC(=O)CCC(=O)c2ccc(F)cc2)nc1-c1ccc(F)cc1 ZINC000409204184 560694013 /nfs/dbraw/zinc/69/40/13/560694013.db2.gz CXCLFIBWLLLIRG-UHFFFAOYSA-N 0 0 414.477 5.642 40 0 HKABRN Fc1ccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 ZINC000409204197 560693999 /nfs/dbraw/zinc/69/39/99/560693999.db2.gz DDRCOINTNJYALR-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN Clc1ccc(NCc2cccc(OCc3cccc4ccccc43)c2)cc1Cl ZINC000409204201 560693981 /nfs/dbraw/zinc/69/39/81/560693981.db2.gz DKHKCMROMWWJGF-UHFFFAOYSA-N 0 0 408.328 7.338 40 0 HKABRN Cc1sc(NC(=O)CCC(=O)c2ccc(C)cc2C)nc1-c1ccc(Cl)cc1 ZINC000409204257 560693997 /nfs/dbraw/zinc/69/39/97/560693997.db2.gz FAQVTPOXNHPWKL-UHFFFAOYSA-N 0 0 412.942 5.990 40 0 HKABRN CCCc1sc(NC(=O)CCC(=O)c2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000409204299 559017581 /nfs/dbraw/zinc/01/75/81/559017581.db2.gz DXJVYEZXDVYCMU-UHFFFAOYSA-N 0 0 410.514 5.812 40 0 HKABRN Cc1ccc(C2=N/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=O)O2)cc1Cl ZINC000409204324 560694008 /nfs/dbraw/zinc/69/40/08/560694008.db2.gz FJMKSTGZFRWADP-WSDLNYQXSA-N 0 0 421.855 5.711 40 0 HKABRN CCCc1sc(NC(=O)CCC(=O)c2ccc(C)cc2)nc1-c1cc(C)ccc1C ZINC000409204326 559017564 /nfs/dbraw/zinc/01/75/64/559017564.db2.gz FJVFDZYOCUSIAS-UHFFFAOYSA-N 0 0 420.578 6.289 40 0 HKABRN O=C(Nc1cccc2ccccc21)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000409204337 560694011 /nfs/dbraw/zinc/69/40/11/560694011.db2.gz FSEBQHSEAJFVAL-UHFFFAOYSA-N 0 0 412.272 6.571 40 0 HKABRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc(F)c3)n2C)cc1C ZINC000409204350 559017582 /nfs/dbraw/zinc/01/75/82/559017582.db2.gz GDYAWDAZEFFXHW-RFBIWTDZSA-N 0 0 416.521 5.918 40 0 HKABRN CCCc1sc(NC(=O)CCC(=O)c2ccc(F)cc2)nc1-c1cc(C)ccc1C ZINC000409204371 559017547 /nfs/dbraw/zinc/01/75/47/559017547.db2.gz GBPJTOFYWYCJDA-UHFFFAOYSA-N 0 0 424.541 6.120 40 0 HKABRN Fc1cccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)c1 ZINC000409204390 559017532 /nfs/dbraw/zinc/01/75/32/559017532.db2.gz GNGQDPRGPCNDDP-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN Cc1ccc(COc2ccc(CNc3ccc(F)cc3)cc2Br)cc1 ZINC000409204464 559017538 /nfs/dbraw/zinc/01/75/38/559017538.db2.gz GVGDMLCKWKYDGN-UHFFFAOYSA-N 0 0 400.291 6.088 40 0 HKABRN CCOc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(F)cc3)sc2C)cc1 ZINC000409204500 559017580 /nfs/dbraw/zinc/01/75/80/559017580.db2.gz HHYZMACLAHOVFN-UHFFFAOYSA-N 0 0 412.486 5.258 40 0 HKABRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3F)n2C)cc1 ZINC000409204509 559017545 /nfs/dbraw/zinc/01/75/45/559017545.db2.gz HNYIGXDOBRFGSQ-LCUIJRPUSA-N 0 0 402.494 5.609 40 0 HKABRN COc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1ccccc1F ZINC000409204522 560694001 /nfs/dbraw/zinc/69/40/01/560694001.db2.gz IAKMKBSBUDNBJO-UHFFFAOYSA-N 0 0 407.510 5.147 40 0 HKABRN COc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 ZINC000409204584 560693992 /nfs/dbraw/zinc/69/39/92/560693992.db2.gz AQXZABFHOBGRAV-UHFFFAOYSA-N 0 0 414.914 5.382 40 0 HKABRN CCOc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1ccccc1F ZINC000409204603 559017584 /nfs/dbraw/zinc/01/75/84/559017584.db2.gz BAKOZSRVBQAZAY-UHFFFAOYSA-N 0 0 421.537 5.537 40 0 HKABRN COc1cccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(C)cc3)n2C)c1 ZINC000409204606 559017556 /nfs/dbraw/zinc/01/75/56/559017556.db2.gz BDEOFNIZPHSSEI-QPLCGJKRSA-N 0 0 414.530 5.479 40 0 HKABRN COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc(F)c3)n2C)cc1 ZINC000409204639 559017579 /nfs/dbraw/zinc/01/75/79/559017579.db2.gz CEMJENKOMVRMDO-LCUIJRPUSA-N 0 0 418.493 5.309 40 0 HKABRN O=C(CSc1cccc2ccccc21)Nc1ccc(Cl)c(Br)c1 ZINC000409204664 560694024 /nfs/dbraw/zinc/69/40/24/560694024.db2.gz JFTGUTUJZAVICN-UHFFFAOYSA-N 0 0 406.732 5.987 40 0 HKABRN CCOc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(C)c(C)c3)sc2C)cc1 ZINC000409204701 559017568 /nfs/dbraw/zinc/01/75/68/559017568.db2.gz JMGYYLCHNZJMHB-UHFFFAOYSA-N 0 0 422.550 5.736 40 0 HKABRN CCOc1ccc(-c2nc(NC(=O)CCC(=O)c3cc(C)ccc3C)sc2C)cc1 ZINC000409204734 559017542 /nfs/dbraw/zinc/01/75/42/559017542.db2.gz IYJACIQPGKZHSJ-UHFFFAOYSA-N 0 0 422.550 5.736 40 0 HKABRN Cc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccccc3)n2C)c(Cl)c1 ZINC000409204744 559017560 /nfs/dbraw/zinc/01/75/60/559017560.db2.gz JBPCOZYALVLFIP-LCUIJRPUSA-N 0 0 418.949 6.124 40 0 HKABRN CCCc1sc(NC(=O)CCC(=O)c2ccc(OCC)cc2)nc1-c1ccccc1 ZINC000409204780 559017573 /nfs/dbraw/zinc/01/75/73/559017573.db2.gz KDJYIAIDNZLKKB-UHFFFAOYSA-N 0 0 422.550 5.763 40 0 HKABRN COc1ccccc1C(=O)/N=c1\sc(-c2ccccc2)c(-c2ccc(C)cc2)n1C ZINC000409204864 560694165 /nfs/dbraw/zinc/69/41/65/560694165.db2.gz COVQELFNNXDPHX-QPLCGJKRSA-N 0 0 414.530 5.479 40 0 HKABRN S=C(c1ccc(OCCOc2ccccc2Cl)cc1)N1CCc2ccccc2C1 ZINC000409204903 560694119 /nfs/dbraw/zinc/69/41/19/560694119.db2.gz LUQXMTAGCBCGRU-UHFFFAOYSA-N 0 0 423.965 5.532 40 0 HKABRN COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(F)cc3)n2C)cc1 ZINC000409204926 560694151 /nfs/dbraw/zinc/69/41/51/560694151.db2.gz DLAXXHGWOUSJDO-LCUIJRPUSA-N 0 0 418.493 5.309 40 0 HKABRN O=C1N/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1Cc1ccccc1 ZINC000409204935 559017607 /nfs/dbraw/zinc/01/76/07/559017607.db2.gz DMFBZIKUKUHGKS-HYARGMPZSA-N 0 0 418.880 5.012 40 0 HKABRN CCc1sc(=NC(=O)C(c2ccccc2)c2ccccc2)n(C)c1-c1ccccc1 ZINC000409205000 559017629 /nfs/dbraw/zinc/01/76/29/559017629.db2.gz FEKYHHRMIBCPRV-RQZHXJHFSA-N 0 0 412.558 5.575 40 0 HKABRN Cc1sc(NC(=O)CCC(=O)c2cc(C)ccc2C)nc1-c1ccc(Cl)cc1 ZINC000409205024 559017654 /nfs/dbraw/zinc/01/76/54/559017654.db2.gz FKCMXIOWVLNXBP-UHFFFAOYSA-N 0 0 412.942 5.990 40 0 HKABRN CCOc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1ccc(F)cc1 ZINC000409205027 560694168 /nfs/dbraw/zinc/69/41/68/560694168.db2.gz NGKDEOBFKJDADY-UHFFFAOYSA-N 0 0 421.537 5.537 40 0 HKABRN Cc1s/c(=N\C(=O)c2ccc(Br)cc2)n(C)c1-c1ccc(Cl)cc1 ZINC000409205074 560694149 /nfs/dbraw/zinc/69/41/49/560694149.db2.gz KYSNIUUGEZUXSD-UZYVYHOESA-N 0 0 421.747 5.219 40 0 HKABRN CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(C)cc3Cl)n2C)cc1 ZINC000409205165 560694109 /nfs/dbraw/zinc/69/41/09/560694109.db2.gz NZHIEAFTXOPRES-LNVKXUELSA-N 0 0 400.931 5.164 40 0 HKABRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\S(=O)(=O)c3ccccc3)n2C)cc1 ZINC000409205186 559017644 /nfs/dbraw/zinc/01/76/44/559017644.db2.gz GIBVBFRZWGEZMK-VHXPQNKSSA-N 0 0 420.559 5.019 40 0 HKABRN Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccccc1Cl ZINC000409205229 560694232 /nfs/dbraw/zinc/69/42/32/560694232.db2.gz AOPMJIHLMPVGJO-BZZOAKBMSA-N 0 0 404.922 5.815 40 0 HKABRN Fc1cccc(COc2ccc(CNc3ccc(Br)cc3)cc2Cl)c1 ZINC000409205243 560694250 /nfs/dbraw/zinc/69/42/50/560694250.db2.gz APSKKHQAXHOAQP-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN Cc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(C)c1-c1ccc(Cl)cc1 ZINC000409205261 559017642 /nfs/dbraw/zinc/01/76/42/559017642.db2.gz PCIGFIUNLJPWBZ-PYCFMQQDSA-N 0 0 411.741 5.763 40 0 HKABRN CCOc1cc(C(=S)N2CCCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409205362 560694248 /nfs/dbraw/zinc/69/42/48/560694248.db2.gz HOQLDZSVGOEGAI-UHFFFAOYSA-N 0 0 424.393 6.133 40 0 HKABRN CCCc1sc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)nc1-c1ccccc1 ZINC000409205429 560694241 /nfs/dbraw/zinc/69/42/41/560694241.db2.gz CJSSCKWIPUNDEP-UHFFFAOYSA-N 0 0 406.551 5.981 40 0 HKABRN Fc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 ZINC000409205444 560694233 /nfs/dbraw/zinc/69/42/33/560694233.db2.gz COTYXGHBTVANFV-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN CCCCOc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(Cl)cc3)n2C)cc1 ZINC000409205481 560694229 /nfs/dbraw/zinc/69/42/29/560694229.db2.gz NROHKQGUJYOFKS-GYHWCHFESA-N 0 0 414.958 5.635 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccc(C)c(Cl)c2)n(C)c1-c1ccc(OC)cc1 ZINC000409205511 559017597 /nfs/dbraw/zinc/01/75/97/559017597.db2.gz OGONMSUAGJJZCX-LNVKXUELSA-N 0 0 400.931 5.028 40 0 HKABRN CC(C)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1 ZINC000409205571 559017604 /nfs/dbraw/zinc/01/76/04/559017604.db2.gz QQCGKAVDAIKQNC-UHFFFAOYSA-N 0 0 404.293 6.541 40 0 HKABRN CC(C)c1ccc(C(=O)CCC(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 ZINC000409205599 559017626 /nfs/dbraw/zinc/01/76/26/559017626.db2.gz RFBYPLYGUMNEFL-UHFFFAOYSA-N 0 0 404.535 5.634 40 0 HKABRN O=C1N/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1Cc1ccccc1 ZINC000409205626 560694228 /nfs/dbraw/zinc/69/42/28/560694228.db2.gz DFVNEGBCPOIXTJ-KGENOOAVSA-N 0 0 418.880 5.012 40 0 HKABRN Cc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(C)c1-c1ccc(Br)cc1 ZINC000409205628 560694227 /nfs/dbraw/zinc/69/42/27/560694227.db2.gz DGLAVPWOYPGGGI-UZYVYHOESA-N 0 0 421.747 5.219 40 0 HKABRN CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCc1c(F)cccc1Cl ZINC000409205650 560694235 /nfs/dbraw/zinc/69/42/35/560694235.db2.gz DOUCOMOOOVOTSU-SFQUDFHCSA-N 0 0 423.871 5.950 40 0 HKABRN Cc1cccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(C)c(C)c3)n2C)c1 ZINC000409205703 559017734 /nfs/dbraw/zinc/01/77/34/559017734.db2.gz SJMXLELQDRVIRF-RQZHXJHFSA-N 0 0 412.558 6.087 40 0 HKABRN Fc1ccccc1COc1ccc(CNc2ccc(Br)cc2)cc1Cl ZINC000409205713 559017747 /nfs/dbraw/zinc/01/77/47/559017747.db2.gz JNZDMDBLMREVRW-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN CCCc1sc(NC(=O)CCC(=O)c2ccccc2)nc1-c1cc(C)ccc1C ZINC000409205738 560694362 /nfs/dbraw/zinc/69/43/62/560694362.db2.gz FKYRXRFECIJNNT-UHFFFAOYSA-N 0 0 406.551 5.981 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(C)c1-c1ccc(OC)cc1 ZINC000409205746 559017863 /nfs/dbraw/zinc/01/78/63/559017863.db2.gz SWFRSFFNXTXRJP-BZZOAKBMSA-N 0 0 408.567 5.363 40 0 HKABRN COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc(C)c3)n2C)cc1 ZINC000409205892 560694349 /nfs/dbraw/zinc/69/43/49/560694349.db2.gz QKIPUETVBLGCRC-QPLCGJKRSA-N 0 0 414.530 5.479 40 0 HKABRN Cc1ccccc1C(=O)/N=c1\sc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1C ZINC000409205961 560694336 /nfs/dbraw/zinc/69/43/36/560694336.db2.gz UIKMSEWVSGUISE-LCUIJRPUSA-N 0 0 418.949 6.124 40 0 HKABRN CCc1s/c(=N\C(=O)c2ccc(C)cc2Cl)n(C)c1-c1ccc(OC)cc1 ZINC000409205998 560694326 /nfs/dbraw/zinc/69/43/26/560694326.db2.gz LKFJSLANLRHKIW-LNVKXUELSA-N 0 0 400.931 5.028 40 0 HKABRN O=C1N/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1Cc1ccccc1 ZINC000409206024 559017750 /nfs/dbraw/zinc/01/77/50/559017750.db2.gz LRLFAGVHFISJGT-PDGQHHTCSA-N 0 0 410.882 5.177 40 0 HKABRN Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccccc1 ZINC000409206043 560694330 /nfs/dbraw/zinc/69/43/30/560694330.db2.gz LXQBMNOSAKIUPL-BZZOAKBMSA-N 0 0 404.922 5.815 40 0 HKABRN Clc1ccc(NCc2ccc(OCc3cccc4ccccc43)cc2)cc1Cl ZINC000409206046 559017729 /nfs/dbraw/zinc/01/77/29/559017729.db2.gz LXRPIPXFIAEDCS-UHFFFAOYSA-N 0 0 408.328 7.338 40 0 HKABRN Fc1cccc(COc2ccc(Cl)cc2CNc2ccc(Br)cc2)c1 ZINC000409206275 560694341 /nfs/dbraw/zinc/69/43/41/560694341.db2.gz SOIRNYFLMWGGMK-UHFFFAOYSA-N 0 0 420.709 6.433 40 0 HKABRN CCc1cccc2c(C(=O)C(F)(F)F)cn(CCOc3cc(C)ccc3C(C)C)c21 ZINC000409206298 560691087 /nfs/dbraw/zinc/69/10/87/560691087.db2.gz TXMPLBBRLXSRKR-UHFFFAOYSA-N 0 0 417.471 6.460 40 0 HKABRN CCc1cccc2c(C(=O)C(F)(F)F)cn(CCCOc3cc(C)ccc3C)c21 ZINC000409206328 560691120 /nfs/dbraw/zinc/69/11/20/560691120.db2.gz UNMPUKBDCBLXOL-UHFFFAOYSA-N 0 0 403.444 6.035 40 0 HKABRN COc1cc(CNc2ccc(Br)cc2)ccc1OCc1cccc(F)c1 ZINC000409206331 560691099 /nfs/dbraw/zinc/69/10/99/560691099.db2.gz UPDNYFOPHFIJBN-UHFFFAOYSA-N 0 0 416.290 5.788 40 0 HKABRN Brc1ccc(NCc2cccc(OCc3cccc4ccccc43)c2)cc1 ZINC000409206392 560691128 /nfs/dbraw/zinc/69/11/28/560691128.db2.gz NTCLJNHDNNEPMQ-UHFFFAOYSA-N 0 0 418.334 6.793 40 0 HKABRN COc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c(OC)c1 ZINC000409206485 560691111 /nfs/dbraw/zinc/69/11/11/560691111.db2.gz OWYVDELPACHFAO-UHFFFAOYSA-N 0 0 422.264 5.435 40 0 HKABRN Fc1ccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)cc1 ZINC000409206500 560691129 /nfs/dbraw/zinc/69/11/29/560691129.db2.gz PDGKTGPOOKHOHX-UHFFFAOYSA-N 0 0 404.254 5.918 40 0 HKABRN Cc1ccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 ZINC000409206516 560691132 /nfs/dbraw/zinc/69/11/32/560691132.db2.gz KKOKBSXURMTTIY-UHFFFAOYSA-N 0 0 406.740 7.146 40 0 HKABRN Fc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000409206570 560691137 /nfs/dbraw/zinc/69/11/37/560691137.db2.gz LFBCNFJQGWIUEO-UHFFFAOYSA-N 0 0 410.703 6.977 40 0 HKABRN CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(C(C)(C)C)cc3)n2C)cc1 ZINC000409206615 559017873 /nfs/dbraw/zinc/01/78/73/559017873.db2.gz YKGTUAXHTDPCKT-BZZOAKBMSA-N 0 0 408.567 5.499 40 0 HKABRN CCOc1ccc(-c2c(C)s/c(=N\C(=O)C34CC5CC(CC(C5)C3)C4)n2C)cc1 ZINC000409206622 559017848 /nfs/dbraw/zinc/01/78/48/559017848.db2.gz YRFRQQLHHTWVAQ-BZZOAKBMSA-N 0 0 410.583 5.104 40 0 HKABRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccs3)n2C)cc1C ZINC000409206628 559017866 /nfs/dbraw/zinc/01/78/66/559017866.db2.gz YUWPPYSHNAPXSY-VHXPQNKSSA-N 0 0 404.560 5.840 40 0 HKABRN CCCCOc1ccc(C(=O)/N=c2\sc(CC)c(-c3ccc(F)cc3)n2C)cc1 ZINC000409206636 559017861 /nfs/dbraw/zinc/01/78/61/559017861.db2.gz ZBQFEESDUOLYMG-BZZOAKBMSA-N 0 0 412.530 5.375 40 0 HKABRN Cc1cccc(NC(=O)COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000409206651 560691193 /nfs/dbraw/zinc/69/11/93/560691193.db2.gz ZKGJWULKVHYAAS-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN O=C1N/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1Cc1ccccc1 ZINC000409206657 559017845 /nfs/dbraw/zinc/01/78/45/559017845.db2.gz ZNGUQMXTBIMXNB-GZTJUZNOSA-N 0 0 413.260 5.346 40 0 HKABRN Cc1cccc(NC(=O)COc2ccccc2CNc2ccc(Cl)c(Cl)c2)c1 ZINC000409206689 560691157 /nfs/dbraw/zinc/69/11/57/560691157.db2.gz VTLIGDUOQVPALT-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN COc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccccc3)n2C)cc1 ZINC000409206704 560691202 /nfs/dbraw/zinc/69/12/02/560691202.db2.gz VXWLSJOFBNMPFE-IZHYLOQSSA-N 0 0 400.503 5.170 40 0 HKABRN Cc1ccc(COc2ccc(CNc3ccc(Br)cc3)cc2Cl)cc1 ZINC000409206753 560691198 /nfs/dbraw/zinc/69/11/98/560691198.db2.gz XDOYQIFESDSZND-UHFFFAOYSA-N 0 0 416.746 6.602 40 0 HKABRN O=C1N/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1Cc1ccccc1 ZINC000409206778 560691182 /nfs/dbraw/zinc/69/11/82/560691182.db2.gz PTSBJURVLVFLPE-WOJGMQOQSA-N 0 0 413.260 5.346 40 0 HKABRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(Cl)cc3)n2C)cc1 ZINC000409206839 560691205 /nfs/dbraw/zinc/69/12/05/560691205.db2.gz MBPKSZGKJDYSQQ-LCUIJRPUSA-N 0 0 418.949 6.124 40 0 HKABRN CCc1cccc2c(C(=O)C(F)(F)F)cn(CCOc3ccc(Cl)c(C)c3)c21 ZINC000409206944 560691228 /nfs/dbraw/zinc/69/12/28/560691228.db2.gz RJYNFQMBXHXTBN-UHFFFAOYSA-N 0 0 409.835 5.990 40 0 HKABRN CCOc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409206952 560691215 /nfs/dbraw/zinc/69/12/15/560691215.db2.gz NSBAPWWJQMVPHE-UHFFFAOYSA-N 0 0 403.856 6.208 40 0 HKABRN O=C1N/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 ZINC000409206959 560691173 /nfs/dbraw/zinc/69/11/73/560691173.db2.gz RQBQHOOMLPUMQE-KGENOOAVSA-N 0 0 418.880 5.012 40 0 HKABRN CC(C)(C)c1ccc(OCCn2cc(C(=S)N3CCCCC3)c3ccccc32)cc1 ZINC000409207060 559017842 /nfs/dbraw/zinc/01/78/42/559017842.db2.gz ZSJMYLPTOKNHOW-UHFFFAOYSA-N 0 0 420.622 6.179 40 0 HKABRN CCCc1sc(NC(=O)CCC(=O)c2ccc(OC)cc2)nc1-c1ccccc1 ZINC000409207227 559018186 /nfs/dbraw/zinc/01/81/86/559018186.db2.gz QQJJSPMIEZGKMA-UHFFFAOYSA-N 0 0 408.523 5.373 40 0 HKABRN COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(C)cc3)n2C)cc1 ZINC000409207320 560691402 /nfs/dbraw/zinc/69/14/02/560691402.db2.gz RYSFHKWFCAOZDE-QPLCGJKRSA-N 0 0 414.530 5.479 40 0 HKABRN Cc1s/c(=N\C(=O)c2ccccc2-c2ccccc2)n(C)c1-c1ccc(F)cc1 ZINC000409207380 559018388 /nfs/dbraw/zinc/01/83/88/559018388.db2.gz VUOQGSMVHQMFSN-LCUIJRPUSA-N 0 0 402.494 5.609 40 0 HKABRN Fc1ccc(NCc2c(OCc3cccc4ccccc43)ccc3ccccc32)cc1 ZINC000409207484 559018386 /nfs/dbraw/zinc/01/83/86/559018386.db2.gz VAWQWMXWVGHNOK-UHFFFAOYSA-N 0 0 407.488 7.323 40 0 HKABRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(F)cc3)n2C)cc1C ZINC000409207540 560691491 /nfs/dbraw/zinc/69/14/91/560691491.db2.gz WGTCCLJDZDITCJ-RFBIWTDZSA-N 0 0 416.521 5.918 40 0 HKABRN Cc1sc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)nc1-c1ccc(Cl)cc1 ZINC000409207592 559017948 /nfs/dbraw/zinc/01/79/48/559017948.db2.gz YCGPWZVQZUIGKL-UHFFFAOYSA-N 0 0 412.942 5.990 40 0 HKABRN COc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1ccc(Cl)cc1 ZINC000409207616 560691494 /nfs/dbraw/zinc/69/14/94/560691494.db2.gz YUMHUIRGTUVHBF-UHFFFAOYSA-N 0 0 423.965 5.661 40 0 HKABRN O=C1N/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1Cc1ccccc1 ZINC000409207618 559017939 /nfs/dbraw/zinc/01/79/39/559017939.db2.gz YVAOOWRJKASUHV-HYARGMPZSA-N 0 0 418.880 5.012 40 0 HKABRN Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccccc1F ZINC000409207686 560691488 /nfs/dbraw/zinc/69/14/88/560691488.db2.gz XJEZDFYDOBBRMY-RWEWTDSWSA-N 0 0 422.912 5.954 40 0 HKABRN O=C1S/C(=C/c2ccc(Sc3ccccc3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409207961 559019050 /nfs/dbraw/zinc/01/90/50/559019050.db2.gz ACOXXBBMAYIWEP-DEDYPNTBSA-N 0 0 423.946 6.732 40 0 HKABRN O=C1S/C(=C/c2cc(Br)cs2)C(=O)N1c1cccc(Cl)c1 ZINC000409208055 559019056 /nfs/dbraw/zinc/01/90/56/559019056.db2.gz AMOMAWYCBXLOGU-WUXMJOGZSA-N 0 0 400.706 5.405 40 0 HKABRN O=C1S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409208090 559019120 /nfs/dbraw/zinc/01/91/20/559019120.db2.gz AUDCBQUXKCSEGX-VGOFMYFVSA-N 0 0 410.676 5.049 40 0 HKABRN CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CCc2ccccc2)C1=O ZINC000409208495 568512235 /nfs/dbraw/zinc/51/22/35/568512235.db2.gz BZPDRDWEQHYEFX-QJOMJCCJSA-N 0 0 417.530 5.908 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC ZINC000409208649 560691956 /nfs/dbraw/zinc/69/19/56/560691956.db2.gz DKKMGNXZGALURW-CXUHLZMHSA-N 0 0 424.305 5.642 40 0 HKABRN CCCCCN1C(=O)S/C(=C\c2cc(Cl)cc(Br)c2OC)C1=O ZINC000409208726 568512216 /nfs/dbraw/zinc/51/22/16/568512216.db2.gz CVKFIDJMTQPIJW-JYRVWZFOSA-N 0 0 418.740 5.338 40 0 HKABRN CCCCCN1C(=O)S/C(=C\c2ccccc2OCc2ccccc2Cl)C1=O ZINC000409208781 560691949 /nfs/dbraw/zinc/69/19/49/560691949.db2.gz DIGPLLIWHVGUPV-ZHZULCJRSA-N 0 0 415.942 6.146 40 0 HKABRN Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccnc1 ZINC000409208841 560692067 /nfs/dbraw/zinc/69/20/67/560692067.db2.gz ALTHBJDYERRPNW-VXLYETTFSA-N 0 0 409.898 5.383 40 0 HKABRN CCCCCN1C(=O)S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000409208917 559019249 /nfs/dbraw/zinc/01/92/49/559019249.db2.gz DFLKXVUMTDAJMM-JCMHNJIXSA-N 0 0 404.535 5.916 40 0 HKABRN CCCCCN1C(=O)S/C(=C\c2cn(Cc3cccc(F)c3)c3ccccc23)C1=O ZINC000409209092 559019301 /nfs/dbraw/zinc/01/93/01/559019301.db2.gz FULCFCMAKSBATN-HMAPJEAMSA-N 0 0 422.525 6.055 40 0 HKABRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC ZINC000409209367 559019246 /nfs/dbraw/zinc/01/92/46/559019246.db2.gz GIXSEEBJCYVTTA-OVCLIPMQSA-N 0 0 410.278 5.252 40 0 HKABRN COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1OCC(C)C ZINC000409209538 560694488 /nfs/dbraw/zinc/69/44/88/560694488.db2.gz GHUYFEBFTSZRLL-STZFKDTASA-N 0 0 411.523 5.009 40 0 HKABRN CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000409209574 568512539 /nfs/dbraw/zinc/51/25/39/568512539.db2.gz GPBJMBOAOHIDHS-DEDYPNTBSA-N 0 0 409.894 6.133 40 0 HKABRN CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000409209610 559019322 /nfs/dbraw/zinc/01/93/22/559019322.db2.gz HGRQQBHHWJTZGE-CXUHLZMHSA-N 0 0 424.305 5.642 40 0 HKABRN COCCN1C(=O)S/C(=C\c2cccc(OCc3cccc4ccccc43)c2)C1=O ZINC000409209788 560694465 /nfs/dbraw/zinc/69/44/65/560694465.db2.gz IDKQHCYPEMHMBN-PXLXIMEGSA-N 0 0 419.502 5.102 40 0 HKABRN Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1Cc1ccccc1 ZINC000409209897 568512629 /nfs/dbraw/zinc/51/26/29/568512629.db2.gz JQRDDQUJBORZKX-CIAFOILYSA-N 0 0 422.937 6.048 40 0 HKABRN O=C1S/C(=C\c2ccccc2Sc2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000409210157 559019642 /nfs/dbraw/zinc/01/96/42/559019642.db2.gz IIYOKNRYJQRKJK-MOSHPQCFSA-N 0 0 423.946 6.732 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC ZINC000409210182 559019683 /nfs/dbraw/zinc/01/96/83/559019683.db2.gz IWIIPTXAPOLYFL-KQRQPNSISA-N 0 0 411.523 5.152 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC ZINC000409210185 559019631 /nfs/dbraw/zinc/01/96/31/559019631.db2.gz IWIIPTXAPOLYFL-NOEYKIMYSA-N 0 0 411.523 5.152 40 0 HKABRN COc1cccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1OC(C)C ZINC000409210620 560694892 /nfs/dbraw/zinc/69/48/92/560694892.db2.gz FXGMDLHDORXCGF-LICLKQGHSA-N 0 0 403.887 5.377 40 0 HKABRN CCCCCN1C(=O)S/C(=C\c2ccc(OCC)c3cccc(OCC)c23)C1=O ZINC000409210798 559020169 /nfs/dbraw/zinc/02/01/69/559020169.db2.gz KYCTXSGGIZHIPF-HKWRFOASSA-N 0 0 413.539 5.864 40 0 HKABRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)o2)cc1 ZINC000409210870 559020294 /nfs/dbraw/zinc/02/02/94/559020294.db2.gz HGNQWASNLDRLJQ-HKWRFOASSA-N 0 0 421.543 6.018 40 0 HKABRN Cc1cccc(-n2cccc2/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1C ZINC000409210902 560694992 /nfs/dbraw/zinc/69/49/92/560694992.db2.gz LMWRTRAVYJGEEL-DEDYPNTBSA-N 0 0 408.910 5.988 40 0 HKABRN CC[C@H](C)n1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000409210913 560695045 /nfs/dbraw/zinc/69/50/45/560695045.db2.gz LPQGECOZPDMNAF-HXJASHHUSA-N 0 0 410.926 6.507 40 0 HKABRN CC[C@@H](C)n1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000409210915 560695018 /nfs/dbraw/zinc/69/50/18/560695018.db2.gz LPQGECOZPDMNAF-XLTHYULKSA-N 0 0 410.926 6.507 40 0 HKABRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OC(C)C ZINC000409211476 560695249 /nfs/dbraw/zinc/69/52/49/560695249.db2.gz NJFQDBXLNCBMFQ-VCHYOVAHSA-N 0 0 403.887 5.377 40 0 HKABRN CN(C)c1ccc(-n2cccc2/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409211747 559020916 /nfs/dbraw/zinc/02/09/16/559020916.db2.gz OCURZBCNFGZGQL-XSFVSMFZSA-N 0 0 423.925 5.438 40 0 HKABRN CCCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O ZINC000409211855 559021000 /nfs/dbraw/zinc/02/10/00/559021000.db2.gz NIEDFASCMWNYJP-BOPFTXTBSA-N 0 0 410.322 6.480 40 0 HKABRN CCCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O ZINC000409212007 559020984 /nfs/dbraw/zinc/02/09/84/559020984.db2.gz LIOWYZZRFNPARG-BOPFTXTBSA-N 0 0 410.322 6.480 40 0 HKABRN CC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 ZINC000409212178 559020799 /nfs/dbraw/zinc/02/07/99/559020799.db2.gz PVEMVYGRPQNBSB-UDWIEESQSA-N 0 0 423.877 6.044 40 0 HKABRN O=C1S/C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1CCc1ccccc1 ZINC000409212212 560695559 /nfs/dbraw/zinc/69/55/59/560695559.db2.gz NYUMUIMUKZCMOD-HAVVHWLPSA-N 0 0 415.514 5.545 40 0 HKABRN CCCCCN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O ZINC000409212328 559021124 /nfs/dbraw/zinc/02/11/24/559021124.db2.gz OXWNMUIMBNGJGC-WJDWOHSUSA-N 0 0 410.322 6.480 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1OC(C)C ZINC000409212357 560695691 /nfs/dbraw/zinc/69/56/91/560695691.db2.gz QHWRKOBNILIGJZ-RCCKNPSSSA-N 0 0 411.523 5.152 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409212963 560695964 /nfs/dbraw/zinc/69/59/64/560695964.db2.gz SOFMXIRVXSGFKK-NNLQFVHNSA-N 0 0 422.333 6.412 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409212965 560695958 /nfs/dbraw/zinc/69/59/58/560695958.db2.gz SOFMXIRVXSGFKK-SGEFVQMOSA-N 0 0 422.333 6.412 40 0 HKABRN CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(Cl)cc1OC ZINC000409213451 560696072 /nfs/dbraw/zinc/69/60/72/560696072.db2.gz VKKHLRJMMIBZFR-CAOOACKPSA-N 0 0 424.305 5.642 40 0 HKABRN CCCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O ZINC000409213535 559021394 /nfs/dbraw/zinc/02/13/94/559021394.db2.gz USEUHOOGXKKKKW-ATVHPVEESA-N 0 0 420.328 5.936 40 0 HKABRN O=C(COC(=O)c1cccc(Cl)c1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409213569 559021388 /nfs/dbraw/zinc/02/13/88/559021388.db2.gz UVALFCCXMUNCOZ-UHFFFAOYSA-N 0 0 423.940 5.603 40 0 HKABRN CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1 ZINC000409213709 560696187 /nfs/dbraw/zinc/69/61/87/560696187.db2.gz QKTCMUFCVAHMQZ-UHFFFAOYSA-N 0 0 422.598 5.292 40 0 HKABRN Cc1ccc(-n2cccc2/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1C ZINC000409213736 559021494 /nfs/dbraw/zinc/02/14/94/559021494.db2.gz VCFXPYLYDKKRMF-DEDYPNTBSA-N 0 0 408.910 5.988 40 0 HKABRN COc1ccc(-n2cccc2/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409214062 559021279 /nfs/dbraw/zinc/02/12/79/559021279.db2.gz XKUFVBVQZWJDTE-CPNJWEJPSA-N 0 0 410.882 5.380 40 0 HKABRN CCCCCN1C(=O)S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000409214219 560696415 /nfs/dbraw/zinc/69/64/15/560696415.db2.gz WQWHABMCZAELGC-JXAWBTAJSA-N 0 0 403.588 6.214 40 0 HKABRN O=C1S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409214282 560696391 /nfs/dbraw/zinc/69/63/91/560696391.db2.gz XFALDJHKVKEAJR-FYJGNVAPSA-N 0 0 421.905 6.160 40 0 HKABRN O=C1S/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409214346 560696412 /nfs/dbraw/zinc/69/64/12/560696412.db2.gz XBSPUFOPGMZMSN-GHRIWEEISA-N 0 0 402.903 5.554 40 0 HKABRN COCCN1C(=O)S/C(=C/c2c(OCc3ccccc3)ccc3ccccc32)C1=O ZINC000409214538 568513596 /nfs/dbraw/zinc/51/35/96/568513596.db2.gz VUFLYIWCXGENGI-PXLXIMEGSA-N 0 0 419.502 5.102 40 0 HKABRN CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C1=O ZINC000409214645 559021951 /nfs/dbraw/zinc/02/19/51/559021951.db2.gz ZAHJLRDVJLEKGF-ZHZULCJRSA-N 0 0 415.942 6.146 40 0 HKABRN O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1CCc1ccccc1 ZINC000409214741 559021881 /nfs/dbraw/zinc/02/18/81/559021881.db2.gz TZBLCZGMXBDDBE-OQKWZONESA-N 0 0 401.487 5.758 40 0 HKABRN CCCCCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C1=O ZINC000409214810 559021554 /nfs/dbraw/zinc/02/15/54/559021554.db2.gz UPXUIYZFLIZJGC-ZHZULCJRSA-N 0 0 415.942 6.146 40 0 HKABRN CCc1ccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nnc2-c2ccccc2)cc1 ZINC000409215052 559021601 /nfs/dbraw/zinc/02/16/01/559021601.db2.gz ZJFCWPDZCRFEPN-UHFFFAOYSA-N 0 0 422.598 5.234 40 0 HKABRN CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C1=O ZINC000409215449 559021617 /nfs/dbraw/zinc/02/16/17/559021617.db2.gz YZTQQZSVEKQCTL-QNGOZBTKSA-N 0 0 411.523 5.501 40 0 HKABRN CCOc1cc(Cl)c(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000409215477 560696916 /nfs/dbraw/zinc/69/69/16/560696916.db2.gz ZRDAHMNZMIREFC-CAOOACKPSA-N 0 0 424.305 5.642 40 0 HKABRN CCCCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC ZINC000409216153 560697201 /nfs/dbraw/zinc/69/72/01/560697201.db2.gz IEMRSYAZSMYGBI-PGMHBOJBSA-N 0 0 411.523 5.153 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000409216271 559022432 /nfs/dbraw/zinc/02/24/32/559022432.db2.gz JMMWVSNXDUOPON-MDBUFAAASA-N 0 0 417.914 5.767 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000409216272 559022452 /nfs/dbraw/zinc/02/24/52/559022452.db2.gz JMMWVSNXDUOPON-OTGIAGGSSA-N 0 0 417.914 5.767 40 0 HKABRN CCCCCN1C(=O)S/C(=C\c2c(OCC)ccc3ccc(OCC)cc32)C1=O ZINC000409216377 568513176 /nfs/dbraw/zinc/51/31/76/568513176.db2.gz KNRLYWRXYUBYSV-QNGOZBTKSA-N 0 0 413.539 5.864 40 0 HKABRN O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409216650 559022639 /nfs/dbraw/zinc/02/26/39/559022639.db2.gz NFCIXUFHOIEHIX-DEDYPNTBSA-N 0 0 407.878 6.373 40 0 HKABRN COc1c(Cl)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409217370 568513356 /nfs/dbraw/zinc/51/33/56/568513356.db2.gz PPOUGOYMEZDOCM-VGOFMYFVSA-N 0 0 414.697 5.896 40 0 HKABRN CCOC(=O)c1cnc2c(-c3ccccc3)c(C(F)(F)F)nn2c1-c1ccccc1 ZINC000409218316 559022888 /nfs/dbraw/zinc/02/28/88/559022888.db2.gz HXWSLEJZOURQSV-UHFFFAOYSA-N 0 0 411.383 5.259 40 0 HKABRN O=C1S/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409218373 559022950 /nfs/dbraw/zinc/02/29/50/559022950.db2.gz USDQTCGKYUBECR-SFQUDFHCSA-N 0 0 413.907 6.325 40 0 HKABRN CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=O)N(CCc2ccccc2)C1=O ZINC000409218502 560697788 /nfs/dbraw/zinc/69/77/88/560697788.db2.gz VSCDAWSMQRMODS-XQNSMLJCSA-N 0 0 417.530 5.906 40 0 HKABRN FC(F)(F)c1nn2c(nc(-c3ccccc3)cc2-c2ccccc2)c1-c1ccccc1 ZINC000409219090 559022945 /nfs/dbraw/zinc/02/29/45/559022945.db2.gz IVRCTWBKXQQCCH-UHFFFAOYSA-N 0 0 415.418 6.749 40 0 HKABRN Cc1ccc(S[C@@H](CS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000409219327 559023040 /nfs/dbraw/zinc/02/30/40/559023040.db2.gz POGQERNADONBHO-NRFANRHFSA-N 0 0 402.968 5.956 40 0 HKABRN Cc1ccc(S[C@H](CS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000409219329 559023054 /nfs/dbraw/zinc/02/30/54/559023054.db2.gz POGQERNADONBHO-OAQYLSRUSA-N 0 0 402.968 5.956 40 0 HKABRN O=C(CN1C(=O)SC(=Cc2ccc(Sc3ccccc3)o2)C1=O)c1ccccc1 ZINC000409220266 560698616 /nfs/dbraw/zinc/69/86/16/560698616.db2.gz VQSJIMALNAEPLI-UYRXBGFRSA-N 0 0 421.499 5.350 40 0 HKABRN CCCN1C(=O)N/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc32)C1=O ZINC000409220722 560698598 /nfs/dbraw/zinc/69/85/98/560698598.db2.gz DWKQBFRVHXXYIQ-PXLXIMEGSA-N 0 0 400.478 5.030 40 0 HKABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C1=O ZINC000409221191 559026309 /nfs/dbraw/zinc/02/63/09/559026309.db2.gz MIYOVKFVNZLFGN-GZTJUZNOSA-N 0 0 422.333 6.019 40 0 HKABRN Cc1cccc(CN2C(=O)N/C(=C\c3ccccc3Sc3ccccc3)C2=O)c1 ZINC000409221565 559029157 /nfs/dbraw/zinc/02/91/57/559029157.db2.gz SBMPZJHHWLVGST-QNGOZBTKSA-N 0 0 400.503 5.239 40 0 HKABRN O=C1NC(=Cc2ccccc2OCc2ccccc2F)C(=O)N1c1ccc(Cl)cc1 ZINC000409221756 559029250 /nfs/dbraw/zinc/02/92/50/559029250.db2.gz VBCUKMFVEZFWNG-DEDYPNTBSA-N 0 0 422.843 5.155 40 0 HKABRN O=C(COc1ccc(C(=S)N2CCCCC2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000409221762 559029260 /nfs/dbraw/zinc/02/92/60/559029260.db2.gz VCUJOZMAWDBMOQ-UHFFFAOYSA-N 0 0 423.365 5.172 40 0 HKABRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)cc3)o2)C1=O)c1ccccc1 ZINC000409222256 560698814 /nfs/dbraw/zinc/69/88/14/560698814.db2.gz BHZPJUNZKLKTJP-UDWIEESQSA-N 0 0 423.877 5.519 40 0 HKABRN O=C(CN1C(=O)SC(=Cc2cccc(Oc3ccccc3)c2)C1=O)c1ccccc1 ZINC000409222393 560698799 /nfs/dbraw/zinc/69/87/99/560698799.db2.gz CBMQQDQQAXCDGH-PXLXIMEGSA-N 0 0 415.470 5.398 40 0 HKABRN COCCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)C1=O ZINC000409222446 559030108 /nfs/dbraw/zinc/03/01/08/559030108.db2.gz XDWGEYMTCILBPH-PXLXIMEGSA-N 0 0 420.534 5.071 40 0 HKABRN Cc1c(C(=O)Nc2ccccc2)cnc2c(-c3ccccc3)c(-c3ccccc3)nn21 ZINC000409224897 560698074 /nfs/dbraw/zinc/69/80/74/560698074.db2.gz LINMNEGWAKIEES-UHFFFAOYSA-N 0 0 404.473 5.624 40 0 HKABRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc(F)cc3)o2)C1=O)c1ccccc1 ZINC000409225144 559032185 /nfs/dbraw/zinc/03/21/85/559032185.db2.gz OXNSZLDWNWKECJ-NDENLUEZSA-N 0 0 407.422 5.005 40 0 HKABRN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(F)(F)F)c(-c4ccccc4)c3n2)cc1 ZINC000409225454 559032163 /nfs/dbraw/zinc/03/21/63/559032163.db2.gz PVWUSFGOWSSBKY-UHFFFAOYSA-N 0 0 421.344 6.409 40 0 HKABRN Cc1ccc(CN2C(=O)N/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 ZINC000409226417 560698147 /nfs/dbraw/zinc/69/81/47/560698147.db2.gz NSYPRXHUEGDLIL-BUVRLJJBSA-N 0 0 421.500 5.091 40 0 HKABRN CCOc1ccc2ccccc2c1C=C1SC(=O)N(CC(=O)c2ccccc2)C1=O ZINC000409226603 559033909 /nfs/dbraw/zinc/03/39/09/559033909.db2.gz VBWOEFKROIMCLL-HYARGMPZSA-N 0 0 417.486 5.158 40 0 HKABRN Cc1ccc(S[C@](C)(CS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000409226705 559034062 /nfs/dbraw/zinc/03/40/62/559034062.db2.gz RQJGFBSKNQMMTD-JOCHJYFZSA-N 0 0 416.995 6.130 40 0 HKABRN Cc1ccc(S[C@@](C)(CS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000409226706 559034142 /nfs/dbraw/zinc/03/41/42/559034142.db2.gz RQJGFBSKNQMMTD-QFIPXVFZSA-N 0 0 416.995 6.130 40 0 HKABRN O=C(COc1ccc(C(=S)N2CCCCC2)cc1)Nc1ccc(Cl)cc1Cl ZINC000409227847 560698269 /nfs/dbraw/zinc/69/82/69/560698269.db2.gz RWWQPTRCYFCVLE-UHFFFAOYSA-N 0 0 423.365 5.172 40 0 HKABRN CCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000409228825 560698389 /nfs/dbraw/zinc/69/83/89/560698389.db2.gz FRQAVHXXCLAWIB-VCHYOVAHSA-N 0 0 422.333 6.019 40 0 HKABRN Cc1ccc(COc2ccccc2/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409229852 559035963 /nfs/dbraw/zinc/03/59/63/559035963.db2.gz ALTSOVKCNLJJHA-KGENOOAVSA-N 0 0 418.880 5.325 40 0 HKABRN COCCCN1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O ZINC000409229879 560699064 /nfs/dbraw/zinc/69/90/64/560699064.db2.gz VSGVGPKLWYWSNU-MHWRWJLKSA-N 0 0 412.294 5.326 40 0 HKABRN O=C(COc1ccc(C(=S)N2CCCCC2)cc1)Nc1cccc(Cl)c1Cl ZINC000409230455 559035978 /nfs/dbraw/zinc/03/59/78/559035978.db2.gz DNYSNEZXTBCEAH-UHFFFAOYSA-N 0 0 423.365 5.172 40 0 HKABRN CCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C1=O ZINC000409230697 560700137 /nfs/dbraw/zinc/70/01/37/560700137.db2.gz FPOCLAHXDMWFIL-FYJGNVAPSA-N 0 0 408.498 5.583 40 0 HKABRN Cc1cccc(CN2C(=O)N/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)c1 ZINC000409230983 560700350 /nfs/dbraw/zinc/70/03/50/560700350.db2.gz HLIWYXMDDDNNND-KGENOOAVSA-N 0 0 420.553 5.389 40 0 HKABRN Cc1ccc(Sc2ccc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000409231006 560700324 /nfs/dbraw/zinc/70/03/24/560700324.db2.gz ASKMEQXKRFPZOV-LDADJPATSA-N 0 0 410.882 5.490 40 0 HKABRN COCCCN1C(=O)S/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000409231593 560700420 /nfs/dbraw/zinc/70/04/20/560700420.db2.gz LNFNDGWQTZRPSW-GHRIWEEISA-N 0 0 405.560 5.060 40 0 HKABRN COCCCN1C(=O)S/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C1=O ZINC000409231812 560700439 /nfs/dbraw/zinc/70/04/39/560700439.db2.gz MJSJTLCZZTUYRD-HYARGMPZSA-N 0 0 420.534 5.071 40 0 HKABRN CCCN1C(=O)N/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc32)C1=O ZINC000409232507 559040886 /nfs/dbraw/zinc/04/08/86/559040886.db2.gz QJHAKTKMANVOAH-KGENOOAVSA-N 0 0 420.896 5.375 40 0 HKABRN O=C1NC(=Cc2cccc(OCc3ccc(F)cc3)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409232773 559042524 /nfs/dbraw/zinc/04/25/24/559042524.db2.gz PRWCSOSUMAHDMV-FYJGNVAPSA-N 0 0 422.843 5.155 40 0 HKABRN CCCN1C(=O)N/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)C1=O ZINC000409233218 560700745 /nfs/dbraw/zinc/70/07/45/560700745.db2.gz DMWITYILLWXGDP-HZHRSRAPSA-N 0 0 409.489 5.146 40 0 HKABRN COCCCN1C(=O)S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O ZINC000409233591 560700750 /nfs/dbraw/zinc/70/07/50/560700750.db2.gz GQFPLHDNKJJDJU-LFIBNONCSA-N 0 0 411.401 5.038 40 0 HKABRN Cc1ccc(Cl)cc1-c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000409233925 559049273 /nfs/dbraw/zinc/04/92/73/559049273.db2.gz URFWFCHYHXJBLF-WOJGMQOQSA-N 0 0 413.260 5.659 40 0 HKABRN Cc1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000409234404 560700916 /nfs/dbraw/zinc/70/09/16/560700916.db2.gz WKEAJNFLYZIDGG-FYJGNVAPSA-N 0 0 422.937 5.984 40 0 HKABRN O=C1S/C(=C/c2cc(Br)cs2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409234491 560700923 /nfs/dbraw/zinc/70/09/23/560700923.db2.gz KZVJALYZKIWYMH-AWNIVKPZSA-N 0 0 414.733 5.401 40 0 HKABRN COCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O ZINC000409235695 560701191 /nfs/dbraw/zinc/70/11/91/560701191.db2.gz PUBBUZVGZZOWGT-YBEGLDIGSA-N 0 0 412.294 5.326 40 0 HKABRN CC(C)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409236002 559049159 /nfs/dbraw/zinc/04/91/59/559049159.db2.gz RBMRHNMKEXAPMX-VCHYOVAHSA-N 0 0 422.333 6.017 40 0 HKABRN CC[C@H](C)n1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000409236004 559049134 /nfs/dbraw/zinc/04/91/34/559049134.db2.gz RBUQUJZHVOYWOX-NGZBARDMSA-N 0 0 424.953 6.502 40 0 HKABRN CC[C@@H](C)n1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000409236006 560699048 /nfs/dbraw/zinc/69/90/48/560699048.db2.gz RBUQUJZHVOYWOX-VRCTWVPOSA-N 0 0 424.953 6.502 40 0 HKABRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2)cc1 ZINC000409236222 559049281 /nfs/dbraw/zinc/04/92/81/559049281.db2.gz SAOQVPRMIMTVAL-JCMHNJIXSA-N 0 0 417.555 6.383 40 0 HKABRN COCCCN1C(=O)S/C(=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)C1=O ZINC000409237027 559049945 /nfs/dbraw/zinc/04/99/45/559049945.db2.gz UYEUAACGFZNLOY-HYARGMPZSA-N 0 0 420.534 5.071 40 0 HKABRN O=C1N/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 ZINC000409237066 560699335 /nfs/dbraw/zinc/69/93/35/560699335.db2.gz VQZFHHCPVFJBRB-ZHZULCJRSA-N 0 0 420.921 5.584 40 0 HKABRN O=C(COc1ccc(C(=S)N2CCCCC2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000409237618 559049948 /nfs/dbraw/zinc/04/99/48/559049948.db2.gz AOCJUKWYVOCMHG-UHFFFAOYSA-N 0 0 423.365 5.172 40 0 HKABRN CCCN1C(=O)N/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O ZINC000409238520 559049959 /nfs/dbraw/zinc/04/99/59/559049959.db2.gz DTGFEUVTIZVLKE-HZHRSRAPSA-N 0 0 409.489 5.146 40 0 HKABRN COc1cccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1OC(C)C ZINC000409238745 560699547 /nfs/dbraw/zinc/69/95/47/560699547.db2.gz LTVHWQQSVLKGJO-WOJGMQOQSA-N 0 0 417.914 5.372 40 0 HKABRN CCCN1C(=O)N/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C1=O ZINC000409238750 559049934 /nfs/dbraw/zinc/04/99/34/559049934.db2.gz LTWJKJYBWCJXQY-KGENOOAVSA-N 0 0 420.896 5.375 40 0 HKABRN CCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O ZINC000409238962 559049925 /nfs/dbraw/zinc/04/99/25/559049925.db2.gz XQLHTOBVCMDKBL-WOJGMQOQSA-N 0 0 422.333 6.019 40 0 HKABRN COCCCN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O ZINC000409239019 559049967 /nfs/dbraw/zinc/04/99/67/559049967.db2.gz YODIARJEFXUEFV-QGOAFFKASA-N 0 0 419.955 5.564 40 0 HKABRN CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000409239235 559049984 /nfs/dbraw/zinc/04/99/84/559049984.db2.gz OXDLQBUIRIQCLO-VCHYOVAHSA-N 0 0 422.333 6.019 40 0 HKABRN O=C1S/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409239243 559049954 /nfs/dbraw/zinc/04/99/54/559049954.db2.gz OYVDOMPISNVKMJ-QGOAFFKASA-N 0 0 416.930 5.550 40 0 HKABRN COCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O ZINC000409239313 559049977 /nfs/dbraw/zinc/04/99/77/559049977.db2.gz PITAYHBEYFTFSH-YBEGLDIGSA-N 0 0 412.294 5.326 40 0 HKABRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)c1 ZINC000409239532 559049936 /nfs/dbraw/zinc/04/99/36/559049936.db2.gz NSWKFSVORAFFPE-XDHOZWIPSA-N 0 0 424.909 5.486 40 0 HKABRN CCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C1=O ZINC000409239953 559049964 /nfs/dbraw/zinc/04/99/64/559049964.db2.gz OUKZNZUKDZNDKC-FYJGNVAPSA-N 0 0 424.953 6.098 40 0 HKABRN Cc1ccc(Sc2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2)cc1 ZINC000409240109 559049981 /nfs/dbraw/zinc/04/99/81/559049981.db2.gz FOTUCBIDDKLCQS-JCMHNJIXSA-N 0 0 400.503 5.239 40 0 HKABRN Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2Cl)cc1 ZINC000409240110 560699910 /nfs/dbraw/zinc/69/99/10/560699910.db2.gz ONIKJACIKBRJTR-UHFFFAOYSA-N 0 0 416.974 5.073 40 0 HKABRN COCCCN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O ZINC000409240480 559050044 /nfs/dbraw/zinc/05/00/44/559050044.db2.gz UBCHCCYEAMNMOJ-RVDMUPIBSA-N 0 0 409.916 5.157 40 0 HKABRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)C2=O)c1 ZINC000409240713 560700041 /nfs/dbraw/zinc/70/00/41/560700041.db2.gz UYXWMXNOXSSYBE-UDWIEESQSA-N 0 0 406.869 5.310 40 0 HKABRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O ZINC000409240896 560700031 /nfs/dbraw/zinc/70/00/31/560700031.db2.gz LYRKCFBBXQGAGD-LICLKQGHSA-N 0 0 423.271 5.014 40 0 HKABRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C1=O ZINC000409241170 560702288 /nfs/dbraw/zinc/70/22/88/560702288.db2.gz RUQSIRNTAQATFR-WOJGMQOQSA-N 0 0 419.308 5.184 40 0 HKABRN COCCCN1C(=O)S/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O ZINC000409241912 559050138 /nfs/dbraw/zinc/05/01/38/559050138.db2.gz PGCXHPPDJHTLPM-AQTBWJFISA-N 0 0 419.955 5.564 40 0 HKABRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc2)cc1 ZINC000409242776 559050186 /nfs/dbraw/zinc/05/01/86/559050186.db2.gz SZNQUINRHSBEAL-QNGOZBTKSA-N 0 0 403.528 6.387 40 0 HKABRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)C1=O ZINC000409242779 559050204 /nfs/dbraw/zinc/05/02/04/559050204.db2.gz SZXMAPADXMUZQX-WOJGMQOQSA-N 0 0 419.308 5.184 40 0 HKABRN O=C1S/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409243828 559050143 /nfs/dbraw/zinc/05/01/43/559050143.db2.gz UWEVZSPADWNIFM-YBFXNURJSA-N 0 0 413.857 5.976 40 0 HKABRN Cc1ccc(Sc2ccc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)o2)cc1 ZINC000409243856 560702886 /nfs/dbraw/zinc/70/28/86/560702886.db2.gz VIAICOBLAGPYJV-DEDYPNTBSA-N 0 0 404.491 5.141 40 0 HKABRN Cc1cccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000409243869 560702833 /nfs/dbraw/zinc/70/28/33/560702833.db2.gz VOVPKMDUWKNUMQ-DEDYPNTBSA-N 0 0 408.910 5.676 40 0 HKABRN O=C1NC(=Cc2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409244741 559050181 /nfs/dbraw/zinc/05/01/81/559050181.db2.gz IBSVTJWAXQAGGB-FYJGNVAPSA-N 0 0 422.843 5.155 40 0 HKABRN CC(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000409244791 560701234 /nfs/dbraw/zinc/70/12/34/560701234.db2.gz IVHZAVBQWPTDQT-WOJGMQOQSA-N 0 0 414.914 5.138 40 0 HKABRN O=C1NC(=Cc2ccccc2Sc2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409244798 560701273 /nfs/dbraw/zinc/70/12/73/560701273.db2.gz IWTDTYASMVVRAT-RGEXLXHISA-N 0 0 406.894 5.589 40 0 HKABRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000409245154 559050266 /nfs/dbraw/zinc/05/02/66/559050266.db2.gz ODCVJAIHOYRZBK-LICLKQGHSA-N 0 0 423.271 5.014 40 0 HKABRN Cc1ccc(CN2C(=O)N/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)cc1 ZINC000409245368 560701424 /nfs/dbraw/zinc/70/14/24/560701424.db2.gz RSFCLXGUUDUCEX-KGENOOAVSA-N 0 0 420.553 5.389 40 0 HKABRN CCCN1C(=O)S/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc32)C1=O ZINC000409245562 568519989 /nfs/dbraw/zinc/51/99/89/568519989.db2.gz VVVMRRYEDUWBIG-HZHRSRAPSA-N 0 0 417.530 6.174 40 0 HKABRN O=C1NC(=Cc2ccc(Sc3ccccc3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409246315 559050258 /nfs/dbraw/zinc/05/02/58/559050258.db2.gz AWVLEWAJECXAIK-XSFVSMFZSA-N 0 0 406.894 5.589 40 0 HKABRN O=C(COc1ccc(C(=S)N2CCCCC2)cc1Cl)Nc1ccccc1Cl ZINC000409246382 559050229 /nfs/dbraw/zinc/05/02/29/559050229.db2.gz HMKGBHVSEKQEMG-UHFFFAOYSA-N 0 0 423.365 5.172 40 0 HKABRN COCCCN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O ZINC000409246562 560701504 /nfs/dbraw/zinc/70/15/04/560701504.db2.gz CVBSYPFRPAFKJQ-GDNBJRDFSA-N 0 0 412.294 5.326 40 0 HKABRN Cc1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1C ZINC000409246590 560701572 /nfs/dbraw/zinc/70/15/72/560701572.db2.gz JGEICNFRPIELKK-FYJGNVAPSA-N 0 0 422.937 5.984 40 0 HKABRN CCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000409246618 560701645 /nfs/dbraw/zinc/70/16/45/560701645.db2.gz JPICLLBTNBTESF-FYJGNVAPSA-N 0 0 424.953 6.098 40 0 HKABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(C(=S)N2CCC(C)CC2)cc1 ZINC000409247484 559050239 /nfs/dbraw/zinc/05/02/39/559050239.db2.gz HQNVEDUZQKZVNW-UHFFFAOYSA-N 0 0 416.974 5.073 40 0 HKABRN CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C1=O ZINC000409247549 560701765 /nfs/dbraw/zinc/70/17/65/560701765.db2.gz DEPLCJQBIKJPAL-LICLKQGHSA-N 0 0 423.271 5.014 40 0 HKABRN Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2)cc1Cl ZINC000409247580 559050391 /nfs/dbraw/zinc/05/03/91/559050391.db2.gz ILINLCYKUJVCAQ-UHFFFAOYSA-N 0 0 416.974 5.073 40 0 HKABRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(Sc4ccccc4)cc3)C2=O)cc1 ZINC000409247604 560701759 /nfs/dbraw/zinc/70/17/59/560701759.db2.gz IOZCHOPWBUUGAH-PXLXIMEGSA-N 0 0 400.503 5.239 40 0 HKABRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000409247613 560701774 /nfs/dbraw/zinc/70/17/74/560701774.db2.gz DQYULSOOIISFKO-XDHOZWIPSA-N 0 0 424.909 5.486 40 0 HKABRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)C2=O)cc1 ZINC000409247836 559050341 /nfs/dbraw/zinc/05/03/41/559050341.db2.gz OFYWJCLITVONHM-UDWIEESQSA-N 0 0 406.869 5.310 40 0 HKABRN O=C(COc1ccc(CNc2ccc(Cl)cc2)cc1Cl)Nc1ccccc1 ZINC000409247939 559050356 /nfs/dbraw/zinc/05/03/56/559050356.db2.gz FEKILKUVTMOMBD-UHFFFAOYSA-N 0 0 401.293 5.623 40 0 HKABRN Cc1cccc(Cn2cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c3ccccc32)c1 ZINC000409248048 559050367 /nfs/dbraw/zinc/05/03/67/559050367.db2.gz FRTMDPOXTLBPRF-BUVRLJJBSA-N 0 0 421.500 5.091 40 0 HKABRN Cc1ccc(Sc2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc2)cc1 ZINC000409248158 560701828 /nfs/dbraw/zinc/70/18/28/560701828.db2.gz GJTIIGAKJPLWHQ-HMAPJEAMSA-N 0 0 418.493 5.378 40 0 HKABRN CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O ZINC000409248175 560701855 /nfs/dbraw/zinc/70/18/55/560701855.db2.gz GOQMHBNLMXIWGZ-WOJGMQOQSA-N 0 0 422.333 6.019 40 0 HKABRN CCCN1C(=O)S/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc32)C1=O ZINC000409248280 559050416 /nfs/dbraw/zinc/05/04/16/559050416.db2.gz PBZZQCMDOAJTCF-HYARGMPZSA-N 0 0 421.493 6.004 40 0 HKABRN COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OC(=O)c1cccc2ccccc21 ZINC000409248375 559050383 /nfs/dbraw/zinc/05/03/83/559050383.db2.gz FVQWVGSXMMKQGU-UHFFFAOYSA-N 0 0 422.440 5.383 40 0 HKABRN O=C1NC(=Cc2ccccc2OCc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409248472 559050375 /nfs/dbraw/zinc/05/03/75/559050375.db2.gz KOGJCPJZCCAAFU-DEDYPNTBSA-N 0 0 422.843 5.155 40 0 HKABRN COc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409248914 560702015 /nfs/dbraw/zinc/70/20/15/560702015.db2.gz HWLXHIYDULINNS-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN Cc1cccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C ZINC000409249488 560701991 /nfs/dbraw/zinc/70/19/91/560701991.db2.gz UIVLURHATVLNQC-FYJGNVAPSA-N 0 0 422.937 5.984 40 0 HKABRN O=C1NC(=Cc2ccc(OCc3cccc(F)c3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409249748 559050406 /nfs/dbraw/zinc/05/04/06/559050406.db2.gz OIKQRCFGXNMLDR-FYJGNVAPSA-N 0 0 422.843 5.155 40 0 HKABRN COc1cc(CNc2ccccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409249895 559050372 /nfs/dbraw/zinc/05/03/72/559050372.db2.gz JIZTVNVVTPVQON-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN Cc1cccc(C(C)C)c1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 ZINC000409249995 559050344 /nfs/dbraw/zinc/05/03/44/559050344.db2.gz KVVUBNUXTCMCLQ-UHFFFAOYSA-N 0 0 422.550 5.196 40 0 HKABRN CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409250103 559050413 /nfs/dbraw/zinc/05/04/13/559050413.db2.gz WBFABEWWOOEOFK-OOIIIRTPSA-N 0 0 405.281 5.268 40 0 HKABRN CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409250107 559050381 /nfs/dbraw/zinc/05/03/81/559050381.db2.gz WBFABEWWOOEOFK-PBSOMRJOSA-N 0 0 405.281 5.268 40 0 HKABRN CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409251103 559050387 /nfs/dbraw/zinc/05/03/87/559050387.db2.gz OJADIUGZXKEAMH-UHFFFAOYSA-N 0 0 418.537 5.640 40 0 HKABRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(Sc4ccccc4)cc3)C2=O)c1 ZINC000409251407 559050485 /nfs/dbraw/zinc/05/04/85/559050485.db2.gz QBWANYLXUCPVFD-PXLXIMEGSA-N 0 0 400.503 5.239 40 0 HKABRN COc1cc(-c2nc3ccccc3s2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409251590 560703476 /nfs/dbraw/zinc/70/34/76/560703476.db2.gz PVBYAUKDBCMPTM-UHFFFAOYSA-N 0 0 411.504 5.048 40 0 HKABRN O=C(Oc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Cl)cc1Cl ZINC000409251616 560703484 /nfs/dbraw/zinc/70/34/84/560703484.db2.gz PZMAPRXNXHZQNI-UHFFFAOYSA-N 0 0 400.286 6.489 40 0 HKABRN O=C(CSCc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000409251820 560703522 /nfs/dbraw/zinc/70/35/22/560703522.db2.gz BVIWIJHFCRCJCV-UHFFFAOYSA-N 0 0 418.345 6.658 40 0 HKABRN Cc1ccc(Sc2ccc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1 ZINC000409251920 559050496 /nfs/dbraw/zinc/05/04/96/559050496.db2.gz RCHCXDWZBVZZPQ-HMAPJEAMSA-N 0 0 418.493 5.378 40 0 HKABRN CC[C@H](C)N1C(=O)S/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)C1=O ZINC000409252468 559050449 /nfs/dbraw/zinc/05/04/49/559050449.db2.gz RZCWJECDURBKIJ-MNAFEPAFSA-N 0 0 408.498 5.664 40 0 HKABRN CC[C@@H](C)N1C(=O)S/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)C1=O ZINC000409252471 559050471 /nfs/dbraw/zinc/05/04/71/559050471.db2.gz RZCWJECDURBKIJ-PJMHOZITSA-N 0 0 408.498 5.664 40 0 HKABRN COC(=O)c1cc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)ccc1Cl ZINC000409252563 560703612 /nfs/dbraw/zinc/70/36/12/560703612.db2.gz CIQTWMXMEWBAGN-XSFVSMFZSA-N 0 0 421.880 5.315 40 0 HKABRN CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCc1c(F)cccc1Cl ZINC000409252954 559050438 /nfs/dbraw/zinc/05/04/38/559050438.db2.gz UOFUJBILVPMBJO-UHFFFAOYSA-N 0 0 424.859 5.773 40 0 HKABRN COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409253129 560703707 /nfs/dbraw/zinc/70/37/07/560703707.db2.gz DTWXFBIPVNQXTE-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN O=C(COc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1)Nc1ccccc1 ZINC000409253150 559050448 /nfs/dbraw/zinc/05/04/48/559050448.db2.gz WBWHZNICGDBKLG-UHFFFAOYSA-N 0 0 424.500 6.109 40 0 HKABRN COc1cc(CNc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409253206 560703716 /nfs/dbraw/zinc/70/37/16/560703716.db2.gz FEJCUOGHGOAQSM-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN CCOc1cc(CNc2cccc(C)c2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409253393 559050444 /nfs/dbraw/zinc/05/04/44/559050444.db2.gz BECBZDJTHWTKNR-UHFFFAOYSA-N 0 0 418.537 5.640 40 0 HKABRN CCOc1cc(CNc2ccc(C)cc2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409253408 559050481 /nfs/dbraw/zinc/05/04/81/559050481.db2.gz BGGSRPAYKPVQFT-UHFFFAOYSA-N 0 0 418.537 5.640 40 0 HKABRN COc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409254333 559050549 /nfs/dbraw/zinc/05/05/49/559050549.db2.gz YVTOBDATJIPJLQ-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN O=C(CSCc1ccccc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000409255122 560703091 /nfs/dbraw/zinc/70/30/91/560703091.db2.gz GHGMILZFDDBXNI-UHFFFAOYSA-N 0 0 418.345 6.658 40 0 HKABRN O=c1[nH]c(-c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)nc2ccccc12 ZINC000409255271 559050577 /nfs/dbraw/zinc/05/05/77/559050577.db2.gz GVAOKXRJIZUUBV-UHFFFAOYSA-N 0 0 420.299 6.312 40 0 HKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 ZINC000409255320 560703081 /nfs/dbraw/zinc/70/30/81/560703081.db2.gz JNDVNASHURXVHW-UHFFFAOYSA-N 0 0 404.510 5.196 40 0 HKABRN COc1cc(CNc2cccc(C)c2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409255371 560703098 /nfs/dbraw/zinc/70/30/98/560703098.db2.gz JUSSCTDNXTWEKH-UHFFFAOYSA-N 0 0 404.510 5.250 40 0 HKABRN COc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409256189 559050572 /nfs/dbraw/zinc/05/05/72/559050572.db2.gz KDHPUJFAEYGEEO-UHFFFAOYSA-N 0 0 424.928 5.595 40 0 HKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 ZINC000409257578 559050599 /nfs/dbraw/zinc/05/05/99/559050599.db2.gz TZRFGGGXEAIDEY-UHFFFAOYSA-N 0 0 408.929 5.840 40 0 HKABRN COc1cc(Br)c(Br)c(-c2nc3ccccc3s2)c1O ZINC000409257601 559050586 /nfs/dbraw/zinc/05/05/86/559050586.db2.gz RBBIPHCHIJRHTO-UHFFFAOYSA-N 0 0 415.106 5.203 40 0 HKABRN COc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1 ZINC000409258313 560703363 /nfs/dbraw/zinc/70/33/63/560703363.db2.gz WFMJACZPFSOMDI-UHFFFAOYSA-N 0 0 410.901 5.287 40 0 HKABRN CCOc1cc(CNc2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409259036 559050597 /nfs/dbraw/zinc/05/05/97/559050597.db2.gz XDNJTBVQXWKXBP-UHFFFAOYSA-N 0 0 424.928 5.677 40 0 HKABRN CCOc1cc(CNc2ccccc2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409259050 560703347 /nfs/dbraw/zinc/70/33/47/560703347.db2.gz ZCGWWOSHGZPAGV-UHFFFAOYSA-N 0 0 404.510 5.332 40 0 HKABRN O=C(Nc1cccc(Cl)c1Cl)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000409259869 560704355 /nfs/dbraw/zinc/70/43/55/560704355.db2.gz GVGKZEIBSHXART-DTQAZKPQSA-N 0 0 402.708 6.826 40 0 HKABRN O=C(CSc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000409260256 559050569 /nfs/dbraw/zinc/05/05/69/559050569.db2.gz NKGQWZAWMKFLIC-UHFFFAOYSA-N 0 0 404.318 6.517 40 0 HKABRN CCOc1cc(CNc2cc(C)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409260479 560704391 /nfs/dbraw/zinc/70/43/91/560704391.db2.gz QTHAHYAUNAGNAG-UHFFFAOYSA-N 0 0 418.537 5.640 40 0 HKABRN Cc1cccc(NC(=O)COc2c(Cl)cc(CNc3ccccc3)cc2Cl)c1 ZINC000409260622 559049277 /nfs/dbraw/zinc/04/92/77/559049277.db2.gz SXQUTIFLTHPKQT-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN Cc1cccc(NC(=O)COc2ccc(CNc3ccc(C)cc3C)cc2Cl)c1 ZINC000409260677 559049254 /nfs/dbraw/zinc/04/92/54/559049254.db2.gz UMDDCYNFCGTOGX-UHFFFAOYSA-N 0 0 408.929 5.895 40 0 HKABRN COc1cc(-c2nc3ccccc3s2)ccc1OCc1c(Cl)cccc1Cl ZINC000409260948 560704500 /nfs/dbraw/zinc/70/45/00/560704500.db2.gz YXCRWYJDOJNMFZ-UHFFFAOYSA-N 0 0 416.329 6.858 40 0 HKABRN COc1ccc(-c2nc3ccccc3s2)cc1OCc1ccc(Cl)cc1Cl ZINC000409260949 559049341 /nfs/dbraw/zinc/04/93/41/559049341.db2.gz YXSMBSQAYRIPBO-UHFFFAOYSA-N 0 0 416.329 6.858 40 0 HKABRN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000409261297 560704528 /nfs/dbraw/zinc/70/45/28/560704528.db2.gz CNTORCWFEGIWEV-UHFFFAOYSA-N 0 0 422.764 7.191 40 0 HKABRN CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409261446 560704493 /nfs/dbraw/zinc/70/44/93/560704493.db2.gz CZBDOVIEYXHUQN-UHFFFAOYSA-N 0 0 418.537 5.586 40 0 HKABRN CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCc1cccc2ccccc21 ZINC000409261614 559049401 /nfs/dbraw/zinc/04/94/01/559049401.db2.gz FGJTVSJXVQXMCT-UHFFFAOYSA-N 0 0 422.484 6.133 40 0 HKABRN COc1cc(CNc2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409262007 560704464 /nfs/dbraw/zinc/70/44/64/560704464.db2.gz GYFQWLUINPVUQJ-UHFFFAOYSA-N 0 0 410.901 5.287 40 0 HKABRN Cc1ccc(NC(=O)COc2cccc(CNc3ccc(Cl)cc3)c2)cc1Cl ZINC000409262422 560704530 /nfs/dbraw/zinc/70/45/30/560704530.db2.gz DJWOEIWAMSRHCB-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN Cc1ccc(Cl)cc1NCc1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 ZINC000409262692 560704581 /nfs/dbraw/zinc/70/45/81/560704581.db2.gz GLFBNXKMTMDWLI-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN COC(=O)c1cc(NC(=O)CSCc2c(Cl)cccc2Cl)ccc1Cl ZINC000409262921 559049429 /nfs/dbraw/zinc/04/94/29/559049429.db2.gz GGLVJMNRBZKIFZ-UHFFFAOYSA-N 0 0 418.729 5.305 40 0 HKABRN O=C(COc1ccc(CNc2ccccc2Cl)cc1Cl)Nc1ccccc1 ZINC000409263098 560704595 /nfs/dbraw/zinc/70/45/95/560704595.db2.gz LOOCIMLACFKKGD-UHFFFAOYSA-N 0 0 401.293 5.623 40 0 HKABRN CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409263115 559049433 /nfs/dbraw/zinc/04/94/33/559049433.db2.gz HCJUNULYWNWSBK-UHFFFAOYSA-N 0 0 404.510 5.332 40 0 HKABRN Cc1cccc(NC(=O)COc2ccc(CNc3cccc(C)c3C)cc2Cl)c1 ZINC000409263176 559049459 /nfs/dbraw/zinc/04/94/59/559049459.db2.gz HZMXJKRDIGLGAG-UHFFFAOYSA-N 0 0 408.929 5.895 40 0 HKABRN Ic1ccc(-c2ccc(-c3nc4ccccc4s3)o2)cc1 ZINC000409263920 559049822 /nfs/dbraw/zinc/04/98/22/559049822.db2.gz CXHLYJOWPRYVKW-UHFFFAOYSA-N 0 0 403.244 5.828 40 0 HKABRN Fc1ccc(COc2ccc(Br)cc2-c2nc3ccccc3s2)cc1 ZINC000409264604 560703867 /nfs/dbraw/zinc/70/38/67/560703867.db2.gz MMPCIMKNEQIFCL-UHFFFAOYSA-N 0 0 414.299 6.444 40 0 HKABRN Cc1cccc(NC(=O)COc2ccc(CNc3cc(C)ccc3C)cc2Cl)c1 ZINC000409265203 560704101 /nfs/dbraw/zinc/70/41/01/560704101.db2.gz RHYOBGQRBUYLKL-UHFFFAOYSA-N 0 0 408.929 5.895 40 0 HKABRN COc1cc(CNc2ccc(C)cc2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409265320 560704052 /nfs/dbraw/zinc/70/40/52/560704052.db2.gz HLKLONSQVJJEOM-UHFFFAOYSA-N 0 0 404.510 5.250 40 0 HKABRN O=c1[nH]c(-c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)nc2ccccc12 ZINC000409266223 559050559 /nfs/dbraw/zinc/05/05/59/559050559.db2.gz PHJHMONPONFKJY-UHFFFAOYSA-N 0 0 420.299 6.312 40 0 HKABRN COc1cccc(-c2nc3ccccc3s2)c1OCc1ccc(Cl)cc1Cl ZINC000409266226 560704097 /nfs/dbraw/zinc/70/40/97/560704097.db2.gz PWZIZIRULMKWBR-UHFFFAOYSA-N 0 0 416.329 6.858 40 0 HKABRN Cc1ccc(NC(=O)COc2ccc(CNc3ccc(Cl)cc3)cc2)cc1Cl ZINC000409266591 560704118 /nfs/dbraw/zinc/70/41/18/560704118.db2.gz QEMIURKXMHPPNX-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1Cl ZINC000409266635 560704083 /nfs/dbraw/zinc/70/40/83/560704083.db2.gz QQMDGFJBEPPHMQ-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN Cc1cccc(NC(=O)COc2ccc(CNc3ccc(C)c(C)c3)cc2Cl)c1 ZINC000409266755 559050677 /nfs/dbraw/zinc/05/06/77/559050677.db2.gz KZPLAAKXBWOOPC-UHFFFAOYSA-N 0 0 408.929 5.895 40 0 HKABRN CCOc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 ZINC000409267249 559050673 /nfs/dbraw/zinc/05/06/73/559050673.db2.gz MTJJEFDBJTUIDQ-UHFFFAOYSA-N 0 0 420.509 5.032 40 0 HKABRN O=C(CSCc1ccccc1Br)Nc1cccc(Cl)c1Cl ZINC000409267379 559050655 /nfs/dbraw/zinc/05/06/55/559050655.db2.gz VIHJERQDLYINJT-UHFFFAOYSA-N 0 0 405.144 5.628 40 0 HKABRN CCOc1cc(CNc2cccc(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409267637 559050670 /nfs/dbraw/zinc/05/06/70/559050670.db2.gz VHXTZSAMPCXCPM-UHFFFAOYSA-N 0 0 404.510 5.332 40 0 HKABRN Cc1ccc(NC(=O)COc2ccc(CNc3ccccc3Cl)cc2)cc1Cl ZINC000409268032 559050656 /nfs/dbraw/zinc/05/06/56/559050656.db2.gz XVLVALWQCDEFOE-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN Fc1ccccc1COc1ccc(Br)cc1-c1nc2ccccc2s1 ZINC000409268075 560704294 /nfs/dbraw/zinc/70/42/94/560704294.db2.gz YBCJLVVOKTXKLM-UHFFFAOYSA-N 0 0 414.299 6.444 40 0 HKABRN Cc1ccc(NC(=O)COc2cccc(CNc3ccccc3Cl)c2)cc1Cl ZINC000409268170 560704214 /nfs/dbraw/zinc/70/42/14/560704214.db2.gz QZBGQCJVBHMXIS-UHFFFAOYSA-N 0 0 415.320 5.931 40 0 HKABRN O=C(CSCc1ccccc1Cl)Nc1ccc(Br)c(Cl)c1 ZINC000409268397 560704229 /nfs/dbraw/zinc/70/42/29/560704229.db2.gz ZMLGXOINZRPJOF-UHFFFAOYSA-N 0 0 405.144 5.628 40 0 HKABRN COc1cc(CNc2cc(C)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409268695 560704211 /nfs/dbraw/zinc/70/42/11/560704211.db2.gz XSRMPOBDKBZTSM-UHFFFAOYSA-N 0 0 404.510 5.250 40 0 HKABRN COC(=O)c1ccc(Cl)c(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c1 ZINC000409270254 559050733 /nfs/dbraw/zinc/05/07/33/559050733.db2.gz OGCJEFNZFRVNOQ-XSFVSMFZSA-N 0 0 421.880 5.315 40 0 HKABRN CCOc1c(Br)cc(-c2nc3ccccc3s2)cc1Br ZINC000409270732 560704922 /nfs/dbraw/zinc/70/49/22/560704922.db2.gz HSGHUURKNWQCFN-UHFFFAOYSA-N 0 0 413.134 5.887 40 0 HKABRN CCOc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 ZINC000409270955 560705028 /nfs/dbraw/zinc/70/50/28/560705028.db2.gz SFLOOYNHFMTZCA-UHFFFAOYSA-N 0 0 424.928 5.677 40 0 HKABRN COc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 ZINC000409271809 559050624 /nfs/dbraw/zinc/05/06/24/559050624.db2.gz NHPWVFVNMHCKJX-UHFFFAOYSA-N 0 0 410.901 5.287 40 0 HKABRN COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409272209 559050553 /nfs/dbraw/zinc/05/05/53/559050553.db2.gz PKFWCAQXIRLSSF-UHFFFAOYSA-N 0 0 404.510 5.250 40 0 HKABRN O=C(Oc1ccc(-c2nc3ccccc3s2)cc1)c1cccc(Br)c1 ZINC000409272274 560705082 /nfs/dbraw/zinc/70/50/82/560705082.db2.gz PMFKIIIQMWQRLM-UHFFFAOYSA-N 0 0 410.292 5.945 40 0 HKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1Sc1ccccc1 ZINC000409272559 560705087 /nfs/dbraw/zinc/70/50/87/560705087.db2.gz ZYHOMRZVAYVWOD-ACCUITESSA-N 0 0 400.330 6.797 40 0 HKABRN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1ccccc1Cl ZINC000409273583 560705267 /nfs/dbraw/zinc/70/52/67/560705267.db2.gz KERLEMXVEZKREZ-UHFFFAOYSA-N 0 0 413.717 5.163 40 0 HKABRN O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1ccccc1F ZINC000409275468 560705231 /nfs/dbraw/zinc/70/52/31/560705231.db2.gz VCCJFGKIHAGYOV-UHFFFAOYSA-N 0 0 407.392 5.032 40 0 HKABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000409315131 560709375 /nfs/dbraw/zinc/70/93/75/560709375.db2.gz NKGKAVMYGMFACR-UHFFFAOYSA-N 0 0 421.871 6.903 40 0 HKABRN O=C(CCSc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000409317976 560709469 /nfs/dbraw/zinc/70/94/69/560709469.db2.gz SIUHBUMPDKHGTL-UHFFFAOYSA-N 0 0 418.345 6.907 40 0 HKABRN COc1ccc(-c2cc(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c(C)o2)cc1OC ZINC000409319153 560709482 /nfs/dbraw/zinc/70/94/82/560709482.db2.gz BEBOAUYPCJXIIL-BTVKBFDZSA-N 0 0 423.553 5.607 40 0 HKABRN CCn1c(CC(=O)Nc2ccccc2)nnc1SCc1ccc(Cl)cc1Cl ZINC000409326855 559060866 /nfs/dbraw/zinc/06/08/66/559060866.db2.gz FKAKBRBNMINTQK-UHFFFAOYSA-N 0 0 421.353 5.078 40 0 HKABRN O=C(CSCc1cccc(Cl)c1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000409327347 560709577 /nfs/dbraw/zinc/70/95/77/560709577.db2.gz SMYBVZSHBONYLI-UHFFFAOYSA-N 0 0 418.345 6.658 40 0 HKABRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)cc1 ZINC000409327542 559060829 /nfs/dbraw/zinc/06/08/29/559060829.db2.gz KRVHEVNIJYQFOY-WOJGMQOQSA-N 0 0 414.914 5.138 40 0 HKABRN CCOc1cc(C)ccc1OCc1nnc(SCc2ccc(F)cc2)n1CC ZINC000409328173 559060888 /nfs/dbraw/zinc/06/08/88/559060888.db2.gz PQSFFXXFLQOVAI-UHFFFAOYSA-N 0 0 401.507 5.016 40 0 HKABRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3)C2=O)cc1 ZINC000409328431 560709769 /nfs/dbraw/zinc/70/97/69/560709769.db2.gz VDAUJFAMJRFGIS-WOJGMQOQSA-N 0 0 414.914 5.138 40 0 HKABRN CCn1c(CC(=O)Nc2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000409328461 560709763 /nfs/dbraw/zinc/70/97/63/560709763.db2.gz VTHZZWJAQXFRQJ-UHFFFAOYSA-N 0 0 421.353 5.078 40 0 HKABRN O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2cccc(Cl)c2)N1c1ccccc1 ZINC000409328725 560709921 /nfs/dbraw/zinc/70/99/21/560709921.db2.gz AIHQWZCSRIDXEZ-AREMUKBSSA-N 0 0 424.931 6.706 40 0 HKABRN O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2cccc(Cl)c2)N1c1ccccc1 ZINC000409328727 559060853 /nfs/dbraw/zinc/06/08/53/559060853.db2.gz AIHQWZCSRIDXEZ-SANMLTNESA-N 0 0 424.931 6.706 40 0 HKABRN COc1ccccc1OCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1C ZINC000409328787 560709881 /nfs/dbraw/zinc/70/98/81/560709881.db2.gz AZXKOYKKHLWRMB-UHFFFAOYSA-N 0 0 410.326 5.002 40 0 HKABRN O=C(CSc1nnc(Cc2ccccc2)o1)N(C1CCCCC1)C1CCCCC1 ZINC000409328825 559060899 /nfs/dbraw/zinc/06/08/99/559060899.db2.gz BGZPHUSHYRZDJZ-UHFFFAOYSA-N 0 0 413.587 5.247 40 0 HKABRN O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2ccccc2F)N1c1ccccc1 ZINC000409329344 559060886 /nfs/dbraw/zinc/06/08/86/559060886.db2.gz DXQXUNFSJXBRSD-AREMUKBSSA-N 0 0 408.476 6.192 40 0 HKABRN O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2ccccc2F)N1c1ccccc1 ZINC000409329346 559060906 /nfs/dbraw/zinc/06/09/06/559060906.db2.gz DXQXUNFSJXBRSD-SANMLTNESA-N 0 0 408.476 6.192 40 0 HKABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)o2)cc1 ZINC000409329593 559061002 /nfs/dbraw/zinc/06/10/02/559061002.db2.gz GLSDEXSZQBXSLT-UHFFFAOYSA-N 0 0 411.527 5.065 40 0 HKABRN Cn1c(SCc2ccc(F)cc2)nnc1-c1cc2cc(Br)ccc2o1 ZINC000409329615 559060891 /nfs/dbraw/zinc/06/08/91/559060891.db2.gz GIPNQBRVOPBDBY-UHFFFAOYSA-N 0 0 418.291 5.422 40 0 HKABRN CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1 ZINC000409330033 559060978 /nfs/dbraw/zinc/06/09/78/559060978.db2.gz JCFWIRWVTUNOJN-UHFFFAOYSA-N 0 0 417.918 5.156 40 0 HKABRN Cn1c(SCc2ccc(Br)cc2)nnc1-c1cc2ccccc2o1 ZINC000409330050 559060985 /nfs/dbraw/zinc/06/09/85/559060985.db2.gz JFBPCTMMSNSWDH-UHFFFAOYSA-N 0 0 400.301 5.283 40 0 HKABRN O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2ccccc2Cl)N1c1ccccc1 ZINC000409330126 559060992 /nfs/dbraw/zinc/06/09/92/559060992.db2.gz JAOHPIDBCJAMJI-AREMUKBSSA-N 0 0 424.931 6.706 40 0 HKABRN O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2ccccc2Cl)N1c1ccccc1 ZINC000409330127 560710231 /nfs/dbraw/zinc/71/02/31/560710231.db2.gz JAOHPIDBCJAMJI-SANMLTNESA-N 0 0 424.931 6.706 40 0 HKABRN Cc1cccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)c1 ZINC000409330858 559060959 /nfs/dbraw/zinc/06/09/59/559060959.db2.gz MISOSZNVVCQXPX-HHHXNRCGSA-N 0 0 404.513 6.361 40 0 HKABRN Cc1cccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)c1 ZINC000409330863 559061027 /nfs/dbraw/zinc/06/10/27/559061027.db2.gz MISOSZNVVCQXPX-MHZLTWQESA-N 0 0 404.513 6.361 40 0 HKABRN COc1ccccc1OCc1nnc(SCc2ccc(Cl)cc2Cl)n1C ZINC000409331540 559061328 /nfs/dbraw/zinc/06/13/28/559061328.db2.gz NQHRUHJRQJWLQQ-UHFFFAOYSA-N 0 0 410.326 5.002 40 0 HKABRN CCc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000409331879 559061446 /nfs/dbraw/zinc/06/14/46/559061446.db2.gz PEZFVIPJZIRTRQ-MUUNZHRXSA-N 0 0 418.540 6.615 40 0 HKABRN CCc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000409331880 559061478 /nfs/dbraw/zinc/06/14/78/559061478.db2.gz PEZFVIPJZIRTRQ-NDEPHWFRSA-N 0 0 418.540 6.615 40 0 HKABRN CCc1ccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 ZINC000409332989 560710655 /nfs/dbraw/zinc/71/06/55/560710655.db2.gz UBTXTIDPXQDMNP-BOPFTXTBSA-N 0 0 402.313 5.248 40 0 HKABRN CCn1c(COc2ccc(C)cc2OC)nnc1SCc1ccccc1Cl ZINC000409333375 560710638 /nfs/dbraw/zinc/71/06/38/560710638.db2.gz SDXPYDVILSBUEP-UHFFFAOYSA-N 0 0 403.935 5.140 40 0 HKABRN O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000409333637 559061568 /nfs/dbraw/zinc/06/15/68/559061568.db2.gz UYQUJRYAQFMKDN-AREMUKBSSA-N 0 0 408.476 6.192 40 0 HKABRN O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000409333642 559061570 /nfs/dbraw/zinc/06/15/70/559061570.db2.gz UYQUJRYAQFMKDN-SANMLTNESA-N 0 0 408.476 6.192 40 0 HKABRN COc1cccc2cc(-c3nnc(SCc4ccc(Cl)cc4Cl)n3C)oc21 ZINC000409333734 560710630 /nfs/dbraw/zinc/71/06/30/560710630.db2.gz VLFBGKUQPZIHMJ-UHFFFAOYSA-N 0 0 420.321 5.836 40 0 HKABRN CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000409334241 559061556 /nfs/dbraw/zinc/06/15/56/559061556.db2.gz WGNFZPQCIBUAMJ-UHFFFAOYSA-N 0 0 404.322 6.310 40 0 HKABRN COc1ccccc1[C@@H]1N(Cc2ccccc2)c2ccccc2C(=O)N1c1ccccc1 ZINC000409335005 559061514 /nfs/dbraw/zinc/06/15/14/559061514.db2.gz YNUGJZRYYFTSIP-HHHXNRCGSA-N 0 0 420.512 6.061 40 0 HKABRN COc1ccccc1[C@H]1N(Cc2ccccc2)c2ccccc2C(=O)N1c1ccccc1 ZINC000409335014 559061532 /nfs/dbraw/zinc/06/15/32/559061532.db2.gz YNUGJZRYYFTSIP-MHZLTWQESA-N 0 0 420.512 6.061 40 0 HKABRN COc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000409338057 559062283 /nfs/dbraw/zinc/06/22/83/559062283.db2.gz CEEHBPSRRDHNAK-HHHXNRCGSA-N 0 0 420.512 6.061 40 0 HKABRN COc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000409338058 559062290 /nfs/dbraw/zinc/06/22/90/559062290.db2.gz CEEHBPSRRDHNAK-MHZLTWQESA-N 0 0 420.512 6.061 40 0 HKABRN CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccc(Cl)cc1Cl ZINC000409339955 560711016 /nfs/dbraw/zinc/71/10/16/560711016.db2.gz NLXFMDXSXZLSFJ-UHFFFAOYSA-N 0 0 408.354 5.497 40 0 HKABRN CCOc1cccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)c1 ZINC000409340563 560711251 /nfs/dbraw/zinc/71/12/51/560711251.db2.gz ZIMRPERRRGYTTN-BOPFTXTBSA-N 0 0 418.312 5.084 40 0 HKABRN COc1cccc(/C=C2/SC(=O)N(C)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000409341752 560711519 /nfs/dbraw/zinc/71/15/19/560711519.db2.gz FUGIJKHCLVOGPB-LZYBPNLTSA-N 0 0 424.305 5.247 40 0 HKABRN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1[C@@H](C)Oc1ccccc1 ZINC000409341894 560711486 /nfs/dbraw/zinc/71/14/86/560711486.db2.gz ALQCJADBFWBQSU-GOSISDBHSA-N 0 0 424.570 5.094 40 0 HKABRN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1[C@H](C)Oc1ccccc1 ZINC000409341901 559064551 /nfs/dbraw/zinc/06/45/51/559064551.db2.gz ALQCJADBFWBQSU-SFHVURJKSA-N 0 0 424.570 5.094 40 0 HKABRN Cc1c(OCc2nnc(SCc3ccccc3Cl)n2C)ccc2ccccc21 ZINC000409341979 559064508 /nfs/dbraw/zinc/06/45/08/559064508.db2.gz DDMFGDXHWYITNZ-UHFFFAOYSA-N 0 0 409.942 5.801 40 0 HKABRN CC(C)Oc1ccccc1C=C1SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O ZINC000409342060 559064441 /nfs/dbraw/zinc/06/44/41/559064441.db2.gz BQIQKVQIYXXRES-ODLFYWEKSA-N 0 0 415.898 5.046 40 0 HKABRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1 ZINC000409342141 560711655 /nfs/dbraw/zinc/71/16/55/560711655.db2.gz ADIWJMNZTCWSCL-WOJGMQOQSA-N 0 0 414.914 5.138 40 0 HKABRN COc1cccc2cc(-c3nnc(SCc4ccc(Cl)c(Cl)c4)n3C)oc21 ZINC000409342463 559064636 /nfs/dbraw/zinc/06/46/36/559064636.db2.gz FEQRQPCBVTZOKD-UHFFFAOYSA-N 0 0 420.321 5.836 40 0 HKABRN CCn1c(COc2ccc(C)cc2OC)nnc1SCc1ccc(Cl)cc1 ZINC000409342686 559064655 /nfs/dbraw/zinc/06/46/55/559064655.db2.gz GAZXQLXPYNNWIY-UHFFFAOYSA-N 0 0 403.935 5.140 40 0 HKABRN CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)cc1 ZINC000409342832 560711841 /nfs/dbraw/zinc/71/18/41/560711841.db2.gz FNUDNNQMVDLGII-STZFKDTASA-N 0 0 416.502 5.077 40 0 HKABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(C)C)o2)cc1 ZINC000409343037 560711845 /nfs/dbraw/zinc/71/18/45/560711845.db2.gz 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O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000409349243 559066996 /nfs/dbraw/zinc/06/69/96/559066996.db2.gz UZPFJAHZTCUMNR-SANMLTNESA-N 0 0 424.931 6.706 40 0 HKABRN CCCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409349414 560713439 /nfs/dbraw/zinc/71/34/39/560713439.db2.gz QVUHEAFBWQWIBA-LDADJPATSA-N 0 0 403.887 5.378 40 0 HKABRN CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H](C)Oc1ccccc1 ZINC000409349820 560713573 /nfs/dbraw/zinc/71/35/73/560713573.db2.gz WGRQMGUGVJQJPI-CYBMUJFWSA-N 0 0 408.354 6.037 40 0 HKABRN CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H](C)Oc1ccccc1 ZINC000409349824 559067394 /nfs/dbraw/zinc/06/73/94/559067394.db2.gz WGRQMGUGVJQJPI-ZDUSSCGKSA-N 0 0 408.354 6.037 40 0 HKABRN CCn1c(SCc2ccccc2Cl)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000409350031 559067187 /nfs/dbraw/zinc/06/71/87/559067187.db2.gz WZMQLUNHBVOTRX-UHFFFAOYSA-N 0 0 404.322 6.310 40 0 HKABRN CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CCC)C3=O)o2)cc1 ZINC000409350172 559067224 /nfs/dbraw/zinc/06/72/24/559067224.db2.gz 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CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)CCCc1ccccc1)N2 ZINC000409351721 560713926 /nfs/dbraw/zinc/71/39/26/560713926.db2.gz AIHWAGYKNUQQLZ-KGVIQGDOSA-N 0 0 424.507 5.311 40 0 HKABRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)c1 ZINC000409351958 560713969 /nfs/dbraw/zinc/71/39/69/560713969.db2.gz ZTPHAEFSBPVRGL-UDWIEESQSA-N 0 0 408.523 5.102 40 0 HKABRN Cc1c(OCc2nnc(SCc3ccc(Cl)cc3)n2C)ccc2ccccc21 ZINC000409352070 560713963 /nfs/dbraw/zinc/71/39/63/560713963.db2.gz VYYYIKYAQGTXDD-UHFFFAOYSA-N 0 0 409.942 5.801 40 0 HKABRN CCOc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OC(C)C ZINC000409352549 559067730 /nfs/dbraw/zinc/06/77/30/559067730.db2.gz WPLKRUOVWUKZCM-ODLFYWEKSA-N 0 0 417.914 5.767 40 0 HKABRN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)o1 ZINC000409352854 560714132 /nfs/dbraw/zinc/71/41/32/560714132.db2.gz XGPYCEDVMPMXCT-UHFFFAOYSA-N 0 0 411.527 5.120 40 0 HKABRN CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cc2ccccc2o1 ZINC000409352887 559068268 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ZINC000409355619 559069420 /nfs/dbraw/zinc/06/94/20/559069420.db2.gz DKALDSWYLALDDV-XDHOZWIPSA-N 0 0 422.893 5.168 40 0 HKABRN CCCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409355692 559069581 /nfs/dbraw/zinc/06/95/81/559069581.db2.gz DIVIPIIYXMOOSU-CPNJWEJPSA-N 0 0 417.914 5.768 40 0 HKABRN CN1C(=O)S/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C1=O ZINC000409355693 559069504 /nfs/dbraw/zinc/06/95/04/559069504.db2.gz DRQWVOHOYSJGPS-GIJQJNRQSA-N 0 0 400.862 5.148 40 0 HKABRN CCOc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)C ZINC000409356008 560713226 /nfs/dbraw/zinc/71/32/26/560713226.db2.gz GBESHBBVHCKPCM-UNOMPAQXSA-N 0 0 417.914 5.767 40 0 HKABRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(C)C ZINC000409356263 559069629 /nfs/dbraw/zinc/06/96/29/559069629.db2.gz FYXDVPFEYHHBER-VXLYETTFSA-N 0 0 417.914 5.624 40 0 HKABRN CCCOc1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000409356632 559069618 /nfs/dbraw/zinc/06/96/18/559069618.db2.gz GTLJPKBWTGOZMO-UNOMPAQXSA-N 0 0 415.898 5.048 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COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1C ZINC000409369568 560716633 /nfs/dbraw/zinc/71/66/33/560716633.db2.gz DBZOETGVEJDQFM-UHFFFAOYSA-N 0 0 404.510 5.250 40 0 HKABRN O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1ccc2ccccc2c1 ZINC000409369602 559069935 /nfs/dbraw/zinc/06/99/35/559069935.db2.gz QTTVQCOPFOBSBI-UHFFFAOYSA-N 0 0 410.498 5.726 40 0 HKABRN COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409369758 560716641 /nfs/dbraw/zinc/71/66/41/560716641.db2.gz GCNGOSUSSRJMSG-UHFFFAOYSA-N 0 0 404.510 5.250 40 0 HKABRN COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1C ZINC000409370014 559069956 /nfs/dbraw/zinc/06/99/56/559069956.db2.gz JKZRGBFLHUQHAB-UHFFFAOYSA-N 0 0 410.901 5.287 40 0 HKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1 ZINC000409370336 560716693 /nfs/dbraw/zinc/71/66/93/560716693.db2.gz PAXMEJAXKWCXEO-UHFFFAOYSA-N 0 0 408.929 5.840 40 0 HKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1 ZINC000409371368 559069988 /nfs/dbraw/zinc/06/99/88/559069988.db2.gz WEBHFDJHMSIXHP-JOCHJYFZSA-N 0 0 420.534 5.342 40 0 HKABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCc2ccc(C)cc2)cc1 ZINC000409371373 559069995 /nfs/dbraw/zinc/06/99/95/559069995.db2.gz WEBHFDJHMSIXHP-QFIPXVFZSA-N 0 0 420.534 5.342 40 0 HKABRN COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409371555 559070018 /nfs/dbraw/zinc/07/00/18/559070018.db2.gz XDFPKODHUVJKKI-UHFFFAOYSA-N 0 0 410.901 5.287 40 0 HKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1 ZINC000409372064 560716895 /nfs/dbraw/zinc/71/68/95/560716895.db2.gz XWTWIDDTOGIBCF-UHFFFAOYSA-N 0 0 418.537 5.504 40 0 HKABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1 ZINC000409372137 559069989 /nfs/dbraw/zinc/06/99/89/559069989.db2.gz YCQFYIMUVVMJCF-UHFFFAOYSA-N 0 0 418.537 5.504 40 0 HKABRN O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)Nc1ccc2ccccc2c1 ZINC000409372146 559070014 /nfs/dbraw/zinc/07/00/14/559070014.db2.gz YCYXDMACNWIPAL-UHFFFAOYSA-N 0 0 404.469 5.664 40 0 HKABRN CCOc1cc(C(=O)Nc2ccccc2C(F)(F)F)cc(Br)c1OC ZINC000409372793 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Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2C)c1 ZINC000409380238 559070695 /nfs/dbraw/zinc/07/06/95/559070695.db2.gz AARWLPLIEZWHTJ-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000409380289 559070670 /nfs/dbraw/zinc/07/06/70/559070670.db2.gz BEIQCRWSMNKVEG-UHFFFAOYSA-N 0 0 422.550 5.227 40 0 HKABRN Cc1ccc(N(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1C ZINC000409380315 559070633 /nfs/dbraw/zinc/07/06/33/559070633.db2.gz CCMCEJDLMRMKFN-UHFFFAOYSA-N 0 0 403.906 5.491 40 0 HKABRN Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2cccc(C)c2C)cc1 ZINC000409380321 560718645 /nfs/dbraw/zinc/71/86/45/560718645.db2.gz CIXLNKRLWQLKOH-UHFFFAOYSA-N 0 0 417.933 5.800 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c1 ZINC000409380324 559070639 /nfs/dbraw/zinc/07/06/39/559070639.db2.gz CMJYYWWKLWXXMM-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c(C)c1 ZINC000409380486 559070753 /nfs/dbraw/zinc/07/07/53/559070753.db2.gz FLSPJKKXFAKARH-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)ccc3C)ccc2C)c(C)c1 ZINC000409380501 559070772 /nfs/dbraw/zinc/07/07/72/559070772.db2.gz FTDUNDSORTZGJK-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1cccc(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000409380750 559070751 /nfs/dbraw/zinc/07/07/51/559070751.db2.gz HRERBVRKPSWQJN-UHFFFAOYSA-N 0 0 406.334 5.697 40 0 HKABRN Cc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc2C)cc1 ZINC000409380767 559070737 /nfs/dbraw/zinc/07/07/37/559070737.db2.gz HULRGHGJWNUZQH-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2ccc(C)cc2C)cc1 ZINC000409380783 560718697 /nfs/dbraw/zinc/71/86/97/560718697.db2.gz IDABZHZKBVJXFR-UHFFFAOYSA-N 0 0 417.933 5.800 40 0 HKABRN CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1 ZINC000409380796 559070788 /nfs/dbraw/zinc/07/07/88/559070788.db2.gz IFLVVGGPRSMKLU-UHFFFAOYSA-N 0 0 422.550 5.227 40 0 HKABRN COc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)c1OC ZINC000409380835 559070813 /nfs/dbraw/zinc/07/08/13/559070813.db2.gz ITBLXRFFBIALSK-MHWRWJLKSA-N 0 0 405.450 5.157 40 0 HKABRN Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c(C)c1 ZINC000409381806 560717251 /nfs/dbraw/zinc/71/72/51/560717251.db2.gz NPLGCGIZXMMDFT-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1ccc(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000409381833 560717282 /nfs/dbraw/zinc/71/72/82/560717282.db2.gz OADLRKWQTZVCFY-UHFFFAOYSA-N 0 0 406.334 5.697 40 0 HKABRN O=C1S/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)C(=O)N1c1ccccc1 ZINC000409382201 559071094 /nfs/dbraw/zinc/07/10/94/559071094.db2.gz LYWUMVWUBKYJNG-GIDUJCDVSA-N 0 0 418.257 5.341 40 0 HKABRN Cc1cccc(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000409382238 559071078 /nfs/dbraw/zinc/07/10/78/559071078.db2.gz QGNKOBYZDLCNTA-UHFFFAOYSA-N 0 0 406.334 5.697 40 0 HKABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2C)c1 ZINC000409382292 559071051 /nfs/dbraw/zinc/07/10/51/559071051.db2.gz QYXLFFHKJPHCPA-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2cccc(C)c2)cc1 ZINC000409382295 559071124 /nfs/dbraw/zinc/07/11/24/559071124.db2.gz RCFIVMRVNKHGCI-UHFFFAOYSA-N 0 0 403.906 5.491 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000409382556 560717331 /nfs/dbraw/zinc/71/73/31/560717331.db2.gz TWEQVGVFVZPSHV-UHFFFAOYSA-N 0 0 402.346 6.846 40 0 HKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2C)c1 ZINC000409382575 560717388 /nfs/dbraw/zinc/71/73/88/560717388.db2.gz UGEFDTNYBLHJOJ-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1ccccc1N(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 ZINC000409382637 559071267 /nfs/dbraw/zinc/07/12/67/559071267.db2.gz WAUPGANSSZSKJM-UHFFFAOYSA-N 0 0 406.334 5.697 40 0 HKABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2C)c1 ZINC000409382641 560717315 /nfs/dbraw/zinc/71/73/15/560717315.db2.gz WHMJAQJSNLGPSS-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2C)c1 ZINC000409382642 560717340 /nfs/dbraw/zinc/71/73/40/560717340.db2.gz WIIDNQHIHRSFMK-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1cccc(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1C ZINC000409382896 559070854 /nfs/dbraw/zinc/07/08/54/559070854.db2.gz XGPCPTFRXBOOGZ-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1C ZINC000409382899 560717495 /nfs/dbraw/zinc/71/74/95/560717495.db2.gz XIAJCEMIDXRIME-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1 ZINC000409382916 560717461 /nfs/dbraw/zinc/71/74/61/560717461.db2.gz XUCPCAQPKZCDPV-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1ccc(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1C ZINC000409382922 560717470 /nfs/dbraw/zinc/71/74/70/560717470.db2.gz YBEQYFAYFFCRQH-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 ZINC000409383132 559070967 /nfs/dbraw/zinc/07/09/67/559070967.db2.gz ZNVBNBGTOPTTJW-UHFFFAOYSA-N 0 0 402.346 6.846 40 0 HKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C)c1 ZINC000409383704 559071199 /nfs/dbraw/zinc/07/11/99/559071199.db2.gz AQSWELKHAORVNJ-UHFFFAOYSA-N 0 0 414.914 5.010 40 0 HKABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2C)c1C ZINC000409383707 559071235 /nfs/dbraw/zinc/07/12/35/559071235.db2.gz BBDAHQRSDKCZQJ-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc2C)cc1C ZINC000409383776 560717646 /nfs/dbraw/zinc/71/76/46/560717646.db2.gz GLUCXYOQRFAEPD-UHFFFAOYSA-N 0 0 422.550 5.282 40 0 HKABRN CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000409383781 559071259 /nfs/dbraw/zinc/07/12/59/559071259.db2.gz GXMQCBRLLYCXPK-UHFFFAOYSA-N 0 0 422.550 5.227 40 0 HKABRN Cc1cccc(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1C ZINC000409383793 559071271 /nfs/dbraw/zinc/07/12/71/559071271.db2.gz HNWBIXLODSRLJF-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN CCOC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000409383893 560717624 /nfs/dbraw/zinc/71/76/24/560717624.db2.gz NVLJLLPVTDRWAK-UHFFFAOYSA-N 0 0 405.519 5.716 40 0 HKABRN Cc1cccc(C)c1N(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000409383930 560717650 /nfs/dbraw/zinc/71/76/50/560717650.db2.gz PNTCCDOIMTYPDD-UHFFFAOYSA-N 0 0 420.361 6.006 40 0 HKABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)cc1 ZINC000409383931 559071256 /nfs/dbraw/zinc/07/12/56/559071256.db2.gz POKZYNPCXWISPS-UHFFFAOYSA-N 0 0 416.502 5.201 40 0 HKABRN Cc1ccc(C(=O)Nc2cccc3ccccc32)cc1S(=O)(=O)Nc1ccccc1 ZINC000409383959 560717642 /nfs/dbraw/zinc/71/76/42/560717642.db2.gz RFUPZMNWDWGXKF-UHFFFAOYSA-N 0 0 416.502 5.201 40 0 HKABRN Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000409384358 560717654 /nfs/dbraw/zinc/71/76/54/560717654.db2.gz AKDHBYRCVGBNEO-UHFFFAOYSA-N 0 0 404.322 5.490 40 0 HKABRN Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2cccc(Cl)c2)n1 ZINC000409385099 560717747 /nfs/dbraw/zinc/71/77/47/560717747.db2.gz JCPHPLJUURBZAJ-UHFFFAOYSA-N 0 0 404.322 5.490 40 0 HKABRN COc1ccc(-c2cc(C(F)(F)F)nc(SCc3ccccc3Cl)n2)cc1 ZINC000409385426 560717842 /nfs/dbraw/zinc/71/78/42/560717842.db2.gz LOYGKFRJZBISHR-UHFFFAOYSA-N 0 0 410.848 6.117 40 0 HKABRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)c3ccccc3)n2)cc1 ZINC000409385546 560717824 /nfs/dbraw/zinc/71/78/24/560717824.db2.gz NEIOHIAMXDBDRP-UHFFFAOYSA-N 0 0 404.413 5.146 40 0 HKABRN Cc1ccc(-c2cc(C(F)(F)F)nc(SCc3cccc4ccccc43)n2)cc1 ZINC000409386039 560719833 /nfs/dbraw/zinc/71/98/33/560719833.db2.gz QQNGPHHEIJFBIZ-UHFFFAOYSA-N 0 0 410.464 6.916 40 0 HKABRN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(SCc2ccccc2Cl)n1 ZINC000409386274 560719848 /nfs/dbraw/zinc/71/98/48/560719848.db2.gz RYAPAWGTWBRLTE-UHFFFAOYSA-N 0 0 415.267 6.762 40 0 HKABRN Clc1ccc(OCc2nc(SCc3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000409386361 560719827 /nfs/dbraw/zinc/71/98/27/560719827.db2.gz SPNTYVRVFYHUMB-UHFFFAOYSA-N 0 0 400.718 5.636 40 0 HKABRN Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2ccccc2Cl)n1 ZINC000409386771 560719851 /nfs/dbraw/zinc/71/98/51/560719851.db2.gz XMEPWJWKHLPOLQ-UHFFFAOYSA-N 0 0 404.322 5.490 40 0 HKABRN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(SCc2ccc(Cl)cc2)n1 ZINC000409386983 560719894 /nfs/dbraw/zinc/71/98/94/560719894.db2.gz XXZLBUCDSPXLQN-UHFFFAOYSA-N 0 0 415.267 6.762 40 0 HKABRN CCn1c(COc2ccccc2F)nnc1SCc1ccc(Cl)cc1Cl ZINC000409386985 560719934 /nfs/dbraw/zinc/71/99/34/560719934.db2.gz XZNFFDDABSVICT-UHFFFAOYSA-N 0 0 412.317 5.615 40 0 HKABRN COc1ccc(-c2cc(C(F)(F)F)nc(SCc3ccc(Cl)cc3)n2)cc1 ZINC000409387012 560719922 /nfs/dbraw/zinc/71/99/22/560719922.db2.gz YRCCGGGRIUTDCY-UHFFFAOYSA-N 0 0 410.848 6.117 40 0 HKABRN Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3cccc(Cl)c3Cl)n2)cc1 ZINC000409387058 560719898 /nfs/dbraw/zinc/71/98/98/560719898.db2.gz ZFSVGQKENZEEAE-UHFFFAOYSA-N 0 0 418.349 5.798 40 0 HKABRN Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000409387561 559071817 /nfs/dbraw/zinc/07/18/17/559071817.db2.gz JAMYHKMKAHZIFY-UHFFFAOYSA-N 0 0 418.349 5.798 40 0 HKABRN Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2)cc1 ZINC000409388779 560720275 /nfs/dbraw/zinc/72/02/75/560720275.db2.gz NOXCMDDBWLPVEQ-UHFFFAOYSA-N 0 0 418.349 5.798 40 0 HKABRN O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1ccc(Cl)cc1Cl ZINC000409390491 560718667 /nfs/dbraw/zinc/71/86/67/560718667.db2.gz DIDHZBDHBSIFSW-UHFFFAOYSA-N 0 0 402.306 5.754 40 0 HKABRN O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1ccc(Cl)c(Cl)c1 ZINC000409391029 559072428 /nfs/dbraw/zinc/07/24/28/559072428.db2.gz HCEDQHRHQCQCHU-UHFFFAOYSA-N 0 0 402.306 5.754 40 0 HKABRN Ic1ccc(CSc2nc3cc4ccccc4cc3[nH]2)cc1 ZINC000409391400 560719005 /nfs/dbraw/zinc/71/90/05/560719005.db2.gz JDGBKUMMIQFFCV-UHFFFAOYSA-N 0 0 416.287 5.613 40 0 HKABRN O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1cc(Cl)ccc1Cl ZINC000409391431 560718955 /nfs/dbraw/zinc/71/89/55/560718955.db2.gz JHMWQSSLCSCBGB-UHFFFAOYSA-N 0 0 402.306 5.754 40 0 HKABRN O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1cccc(Cl)c1Cl ZINC000409391563 560718964 /nfs/dbraw/zinc/71/89/64/560718964.db2.gz JSWJCKFQECJWSY-UHFFFAOYSA-N 0 0 402.306 5.754 40 0 HKABRN COc1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(OC)c1OC ZINC000409407753 559075283 /nfs/dbraw/zinc/07/52/83/559075283.db2.gz HFCZCXAOXZMPEP-WEVVVXLNSA-N 0 0 415.795 5.037 40 0 HKABRN CCCCc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000409407782 559075312 /nfs/dbraw/zinc/07/53/12/559075312.db2.gz HRFYOPLEMONQOD-UHFFFAOYSA-N 0 0 408.523 5.082 40 0 HKABRN Cc1cc(C)c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c(C)c1 ZINC000409407968 560722568 /nfs/dbraw/zinc/72/25/68/560722568.db2.gz BFODUXKCDWDDAL-DEOSSOPVSA-N 0 0 420.534 5.231 40 0 HKABRN Cc1cc(C)c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c(C)c1 ZINC000409407971 559075263 /nfs/dbraw/zinc/07/52/63/559075263.db2.gz BFODUXKCDWDDAL-XMMPIXPASA-N 0 0 420.534 5.231 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000409409618 559075420 /nfs/dbraw/zinc/07/54/20/559075420.db2.gz IXXUEKVTODRHAR-UHFFFAOYSA-N 0 0 416.590 5.245 40 0 HKABRN Cc1ccccc1CSCCNC(=O)CSCc1ccc(Br)cc1 ZINC000409409709 559075358 /nfs/dbraw/zinc/07/53/58/559075358.db2.gz QGYPNSFIUNQMDF-UHFFFAOYSA-N 0 0 424.429 5.040 40 0 HKABRN O=C(CSCc1c(F)cccc1Cl)NCCSCc1ccccc1Cl ZINC000409410462 560721412 /nfs/dbraw/zinc/72/14/12/560721412.db2.gz NCHVFLXHTAOTBL-UHFFFAOYSA-N 0 0 418.386 5.415 40 0 HKABRN Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)Nc1ccccc1 ZINC000409410479 559075466 /nfs/dbraw/zinc/07/54/66/559075466.db2.gz NGSFRAPNOACRQB-UHFFFAOYSA-N 0 0 408.523 5.172 40 0 HKABRN CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000409410878 559075479 /nfs/dbraw/zinc/07/54/79/559075479.db2.gz RSPLNWPSGDYKIA-UHFFFAOYSA-N 0 0 422.550 5.227 40 0 HKABRN Cc1ccc(CSCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 ZINC000409410947 559075433 /nfs/dbraw/zinc/07/54/33/559075433.db2.gz BBGVKKXQIFBSHC-UHFFFAOYSA-N 0 0 421.631 6.259 40 0 HKABRN COc1ccc(/C=C/C(=O)Nc2ccccc2Sc2ccccc2)c(OC)c1OC ZINC000409411109 560721469 /nfs/dbraw/zinc/72/14/69/560721469.db2.gz CFNQJGYPJFSNBU-JQIJEIRASA-N 0 0 421.518 5.516 40 0 HKABRN Cc1ccc(SCc2ccc(C(=O)NCCSCc3ccccc3C)cc2)cc1 ZINC000409411156 559075439 /nfs/dbraw/zinc/07/54/39/559075439.db2.gz DNJWUNDINSGNHC-UHFFFAOYSA-N 0 0 421.631 6.259 40 0 HKABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000409411163 560721504 /nfs/dbraw/zinc/72/15/04/560721504.db2.gz DUAUNXWMAAQKPC-UHFFFAOYSA-N 0 0 422.550 5.480 40 0 HKABRN O=C(CSCc1ccc(Br)cc1)Nc1cccc(Cl)c1Cl ZINC000409411349 560721641 /nfs/dbraw/zinc/72/16/41/560721641.db2.gz GRKSKKHJPGWLKW-UHFFFAOYSA-N 0 0 405.144 5.628 40 0 HKABRN Cc1ccc(SCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 ZINC000409411711 560721619 /nfs/dbraw/zinc/72/16/19/560721619.db2.gz KINVMVGTKBBIHX-UHFFFAOYSA-N 0 0 407.604 6.118 40 0 HKABRN CC(C)c1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000409412548 559075598 /nfs/dbraw/zinc/07/55/98/559075598.db2.gz XFHUSLCFHHQXKL-DEOSSOPVSA-N 0 0 420.534 5.430 40 0 HKABRN CC(C)c1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000409412549 559075590 /nfs/dbraw/zinc/07/55/90/559075590.db2.gz XFHUSLCFHHQXKL-XMMPIXPASA-N 0 0 420.534 5.430 40 0 HKABRN O=C(CSc1ccc2ccccc2c1)Nc1ccc(Br)c2ccccc12 ZINC000409412597 560723026 /nfs/dbraw/zinc/72/30/26/560723026.db2.gz YIGUSXMEWABYSX-UHFFFAOYSA-N 0 0 422.347 6.486 40 0 HKABRN CC(=O)OC(C(=O)CC(C)C)=C(C)CCC/C(C)=C/Cc1c(O)cc(C)cc1O ZINC000514288313 557620150 /nfs/dbraw/zinc/62/01/50/557620150.db2.gz SKUHMSDGVDBXSV-NCWISZJMSA-N 0 0 402.531 5.168 40 0 biogenic,in-vitro HKABRN CC(=O)OC(C(=O)CC(C)C)=C(C)CCC/C(C)=C/Cc1c(O)cc(C)cc1O ZINC000514288314 557620069 /nfs/dbraw/zinc/62/00/69/557620069.db2.gz SKUHMSDGVDBXSV-XORSZBJTSA-N 0 0 402.531 5.168 40 0 biogenic,in-vitro HKABRN CCCN(CCOc1c(Cl)cc(Cl)c(Cl)c1Cl)C(=O)n1ccnc1 ZINC000521219279 560707246 /nfs/dbraw/zinc/70/72/46/560707246.db2.gz GQXLHSKOAJIVJF-UHFFFAOYSA-N 0 0 411.116 5.256 40 0 HKABRN COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000575410970 569024980 /nfs/dbraw/zinc/02/49/80/569024980.db2.gz QUVPRKCBRZHPPE-UHFFFAOYSA-N 0 0 414.505 5.888 40 0 HKABRN Cc1ccc(COc2ccc(Br)cc2-c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000575411018 569024962 /nfs/dbraw/zinc/02/49/62/569024962.db2.gz XQDWODKCODZWCB-UHFFFAOYSA-N 0 0 421.294 5.652 40 0 HKABRN Nc1c(Br)cc(-c2nc3ccc(Cl)cc3s2)cc1Br ZINC000575414833 569025526 /nfs/dbraw/zinc/02/55/26/569025526.db2.gz YVCVIXWYIYVILV-UHFFFAOYSA-N 0 0 418.541 5.724 40 0 HKABRN CCc1ccc2nc(-c3cc(Br)c(N)c(Br)c3)sc2c1 ZINC000575415070 569025494 /nfs/dbraw/zinc/02/54/94/569025494.db2.gz NMRXBNNIOMDUQV-UHFFFAOYSA-N 0 0 412.150 5.633 40 0 HKABRN CC(C)c1cc(Br)c2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000575421859 569026026 /nfs/dbraw/zinc/02/60/26/569026026.db2.gz CEIUPEPOORCVBF-UHFFFAOYSA-N 0 0 403.323 6.850 40 0 HKABRN C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O)C[C@@H](O)C3)CCC[C@]21C ZINC000584566793 560880037 /nfs/dbraw/zinc/88/00/37/560880037.db2.gz BPKAHTKRCLCHEA-DOJVEOQRSA-N 0 0 416.646 5.561 40 0 HKABRN C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@@H]1CC[C@@H]2/C(=C/C=C3C[C@H](O)C[C@@H](O)C3)CCC[C@]21C ZINC000584566794 560880032 /nfs/dbraw/zinc/88/00/32/560880032.db2.gz BPKAHTKRCLCHEA-JVXCETRLSA-N 0 0 416.646 5.561 40 0 HKABRN C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@@H]1CC[C@@H]2/C(=C/C=C3C[C@H](O)C[C@@H](O)C3)CCC[C@@]21C ZINC000584566795 560880019 /nfs/dbraw/zinc/88/00/19/560880019.db2.gz BPKAHTKRCLCHEA-KOXXWOLJSA-N 0 0 416.646 5.561 40 0 HKABRN C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O)C[C@@H](O)C3)CCC[C@@]21C ZINC000584566796 560880038 /nfs/dbraw/zinc/88/00/38/560880038.db2.gz BPKAHTKRCLCHEA-NLBGUKRBSA-N 0 0 416.646 5.561 40 0 HKABRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000584577521 569027253 /nfs/dbraw/zinc/02/72/53/569027253.db2.gz JQMQKOQOLPGBBE-AMAUUDTPSA-N 0 0 402.663 6.648 40 0 HKABRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000584577523 569027234 /nfs/dbraw/zinc/02/72/34/569027234.db2.gz JQMQKOQOLPGBBE-FSDANGAQSA-N 0 0 402.663 6.648 40 0 HKABRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000584577524 569027273 /nfs/dbraw/zinc/02/72/73/569027273.db2.gz JQMQKOQOLPGBBE-GAOSXPTCSA-N 0 0 402.663 6.648 40 0 HKABRN CCCC1CCC(C2CCC(c3ccccc3I)CC2)CC1 ZINC000584578760 569027287 /nfs/dbraw/zinc/02/72/87/569027287.db2.gz HLYDHMTWAAVVFR-UHFFFAOYSA-N 0 0 410.383 7.172 40 0 HKABRN C[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2/C(=C/C=C3C[C@H](O)C[C@@H](O)C3)CCC[C@]21C)C(C)(C)O ZINC000584578814 569385507 /nfs/dbraw/zinc/38/55/07/569385507.db2.gz BPKAHTKRCLCHEA-NERNEANPSA-N 0 0 416.646 5.561 40 0 HKABRN COCc1ccccc1-c1ccc2c(c1)C1(CN2C(=O)c2ccc(C)o2)CCOCC1 ZINC000585105731 569029859 /nfs/dbraw/zinc/02/98/59/569029859.db2.gz HMCWAFOIQHSHHN-UHFFFAOYSA-N 0 0 417.505 5.110 40 0 HKABRN Cc1ccc(-c2ccc3c(c2)C2(CN3C(=O)Cc3ccccc3O)CCOCC2)cc1 ZINC000585105797 569029818 /nfs/dbraw/zinc/02/98/18/569029818.db2.gz NYMCGOWIRPHXKN-UHFFFAOYSA-N 0 0 413.517 5.005 40 0 HKABRN Cc1cccc(-c2ccc3c(c2)C2(CN3C(=O)Cc3ccccc3O)CCOCC2)c1 ZINC000585105910 569029814 /nfs/dbraw/zinc/02/98/14/569029814.db2.gz YKQJSFMAYHHNEK-UHFFFAOYSA-N 0 0 413.517 5.005 40 0 HKABRN COCc1cccc(-c2ccc3c(c2)C2(CN3C(=O)c3ccc(C)o3)CCOCC2)c1 ZINC000585105915 569029821 /nfs/dbraw/zinc/02/98/21/569029821.db2.gz YOSYBJSIBVSEPM-UHFFFAOYSA-N 0 0 417.505 5.110 40 0 HKABRN COCCC(=O)N[C@]1(C)C[C@H](c2ccc(F)c(Cl)c2)O[C@H](c2ccc(F)cc2)C1 ZINC000585262212 569030033 /nfs/dbraw/zinc/03/00/33/569030033.db2.gz AYZICAUJZUABFG-VWPQPMDRSA-N 0 0 423.887 5.122 40 0 HKABRN COCCC(=O)N[C@]1(C)C[C@H](c2ccc(Cl)cc2F)O[C@H](c2ccc(F)cc2)C1 ZINC000585262253 569030027 /nfs/dbraw/zinc/03/00/27/569030027.db2.gz ZYCJRDKKOFCJMR-VWPQPMDRSA-N 0 0 423.887 5.122 40 0 HKABRN CC(C)c1cnc(Nc2cccc(C3CCN(C(=O)C4CCCCC4)CC3)n2)s1 ZINC000585262561 569030028 /nfs/dbraw/zinc/03/00/28/569030028.db2.gz FIBAERWFHCJGKM-UHFFFAOYSA-N 0 0 412.603 5.691 40 0 HKABRN Cc1cnc(Nc2cccc(C3CCN(C(=O)CCC4CCCCC4)CC3)n2)s1 ZINC000585262610 569030014 /nfs/dbraw/zinc/03/00/14/569030014.db2.gz IDOCHVRJUKWDEF-UHFFFAOYSA-N 0 0 412.603 5.657 40 0 HKABRN CCCc1cnc(Nc2cc(C)nc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)s1 ZINC000585262646 569030022 /nfs/dbraw/zinc/03/00/22/569030022.db2.gz OFSSKXGHMXKNJM-UHFFFAOYSA-N 0 0 417.579 5.052 40 0 HKABRN CCCc1cnc(Nc2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)s1 ZINC000585262655 569030030 /nfs/dbraw/zinc/03/00/30/569030030.db2.gz PHSDQSWHRDTUER-UHFFFAOYSA-N 0 0 402.564 5.349 40 0 HKABRN CCn1c(CN2CCC(c3cccc(Nc4nccs4)n3)CC2)nc2ccccc21 ZINC000585262662 559111261 /nfs/dbraw/zinc/11/12/61/559111261.db2.gz PREYQBHFKALJNU-UHFFFAOYSA-N 0 0 418.570 5.031 40 0 HKABRN CCCc1cnc(Nc2cccc(C3CCN(C(=O)C4CCCCC4)CC3)n2)s1 ZINC000585262693 569030060 /nfs/dbraw/zinc/03/00/60/569030060.db2.gz TVDWQPGYUFESHO-UHFFFAOYSA-N 0 0 412.603 5.521 40 0 HKABRN CC(=O)N1CCC[C@H]1CCc1ccc(Nc2ncc(-c3ccc(F)cc3)s2)nc1 ZINC000585262768 569030032 /nfs/dbraw/zinc/03/00/32/569030032.db2.gz DHFQJWPLLGSYTA-IBGZPJMESA-N 0 0 410.518 5.031 40 0 HKABRN CC(=O)N1CCC[C@@H]1CCc1ccc(Nc2ncc(-c3ccc(F)cc3)s2)nc1 ZINC000585262769 569030024 /nfs/dbraw/zinc/03/00/24/569030024.db2.gz DHFQJWPLLGSYTA-LJQANCHMSA-N 0 0 410.518 5.031 40 0 HKABRN CN(C)C(=O)N1CCC[C@H]1CCc1ccc(Nc2ncc(-c3ccccc3)s2)nc1 ZINC000585263035 569030061 /nfs/dbraw/zinc/03/00/61/569030061.db2.gz WMDWJRPJJRRCHR-IBGZPJMESA-N 0 0 421.570 5.027 40 0 HKABRN CN(C)C(=O)N1CCC[C@@H]1CCc1ccc(Nc2ncc(-c3ccccc3)s2)nc1 ZINC000585263036 569030059 /nfs/dbraw/zinc/03/00/59/569030059.db2.gz WMDWJRPJJRRCHR-LJQANCHMSA-N 0 0 421.570 5.027 40 0 HKABRN CC1(C)Oc2c(-c3ccccc3)cccc2[C@H]2O[C@@H](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000585263287 569030005 /nfs/dbraw/zinc/03/00/05/569030005.db2.gz UVPKZVJESIMTOJ-LJGDZFJRSA-N 0 0 402.509 6.743 40 0 HKABRN O=C(C1CCCCC1)N1CCC(c2cccc(Nc3ncc(Cl)s3)n2)CC1 ZINC000585263329 569030021 /nfs/dbraw/zinc/03/00/21/569030021.db2.gz CANWKYVODCRVHU-UHFFFAOYSA-N 0 0 404.967 5.221 40 0 HKABRN Fc1cccc(COc2ccc(Nc3ccnc4cc(-c5ccccc5)nn43)cc2)c1 ZINC000585263523 569030058 /nfs/dbraw/zinc/03/00/58/569030058.db2.gz HIMRXHOGTHANLM-UHFFFAOYSA-N 0 0 410.452 5.858 40 0 HKABRN CC(C)=CCC[C@]1(C)Oc2cc(-c3cnc(C)[nH]c3=O)ccc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585267138 569030135 /nfs/dbraw/zinc/03/01/35/569030135.db2.gz JYASCABSFHIMSF-CGAKAAFGSA-N 0 0 408.542 5.911 40 0 HKABRN Cc1nc(CN2CCC[C@H]2c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)co1 ZINC000585268744 569030214 /nfs/dbraw/zinc/03/02/14/569030214.db2.gz BXQDUZCJLKGENQ-FQEVSTJZSA-N 0 0 424.570 5.326 40 0 HKABRN Cc1nc(CN2CCC[C@@H]2c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)co1 ZINC000585268745 569030224 /nfs/dbraw/zinc/03/02/24/569030224.db2.gz BXQDUZCJLKGENQ-HXUWFJFHSA-N 0 0 424.570 5.326 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ccccn3)cs2)cc1 ZINC000585268761 559113762 /nfs/dbraw/zinc/11/37/62/559113762.db2.gz DVKFENWHUYXDTD-NRFANRHFSA-N 0 0 420.582 5.425 40 0 HKABRN CC(C)(C)c1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccccn3)cs2)cc1 ZINC000585268762 569030251 /nfs/dbraw/zinc/03/02/51/569030251.db2.gz DVKFENWHUYXDTD-OAQYLSRUSA-N 0 0 420.582 5.425 40 0 HKABRN Cc1cccnc1CN1CCC[C@H]1c1csc(NC(=O)c2cccc(Cl)c2)n1 ZINC000585272710 569030202 /nfs/dbraw/zinc/03/02/02/569030202.db2.gz MLLWGQXKEMAEKK-IBGZPJMESA-N 0 0 412.946 5.089 40 0 HKABRN Cc1cccnc1CN1CCC[C@@H]1c1csc(NC(=O)c2cccc(Cl)c2)n1 ZINC000585272730 569030207 /nfs/dbraw/zinc/03/02/07/569030207.db2.gz MLLWGQXKEMAEKK-LJQANCHMSA-N 0 0 412.946 5.089 40 0 HKABRN O=C1Nc2nc(cs2)[C@@H]2CCCCN2Cc2ccccc2OCc2cccc1c2 ZINC000585280807 569030246 /nfs/dbraw/zinc/03/02/46/569030246.db2.gz AQNMWDHBUGCMQC-FQEVSTJZSA-N 0 0 405.523 5.015 40 0 HKABRN O=C1Nc2nc(cs2)[C@H]2CCCCN2Cc2ccccc2OCc2cccc1c2 ZINC000585280821 569030240 /nfs/dbraw/zinc/03/02/40/569030240.db2.gz AQNMWDHBUGCMQC-HXUWFJFHSA-N 0 0 405.523 5.015 40 0 HKABRN Cc1csc(Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccccc3)nc(C)n2)n1 ZINC000585291401 569030236 /nfs/dbraw/zinc/03/02/36/569030236.db2.gz CDRXPOWPPIYHAA-SGWGQVFISA-N 0 0 419.554 5.061 40 0 HKABRN Cc1csc(Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccccc3)nc(C)n2)n1 ZINC000585291402 569030226 /nfs/dbraw/zinc/03/02/26/569030226.db2.gz CDRXPOWPPIYHAA-YVNCXZRQSA-N 0 0 419.554 5.061 40 0 HKABRN CC(C)[C@@H]1C[C@H](c2cccc(Cl)c2)CO[C@H]1c1cccc(OCC(=O)N(C)C)c1 ZINC000585291826 559124033 /nfs/dbraw/zinc/12/40/33/559124033.db2.gz DSOUYJVDBSEAAR-APTRMMRNSA-N 0 0 415.961 5.324 40 0 HKABRN Cc1cnc(Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccccc3)nc(C)n2)s1 ZINC000585292327 569030247 /nfs/dbraw/zinc/03/02/47/569030247.db2.gz HFXASWHRIPXIRR-SGWGQVFISA-N 0 0 419.554 5.061 40 0 HKABRN Cc1cnc(Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccccc3)nc(C)n2)s1 ZINC000585292328 569030230 /nfs/dbraw/zinc/03/02/30/569030230.db2.gz HFXASWHRIPXIRR-YVNCXZRQSA-N 0 0 419.554 5.061 40 0 HKABRN Cc1cccc(Nc2cc(CC3CCN(C(=O)/C=C/c4ccccc4)CC3)ccn2)n1 ZINC000585292705 569030286 /nfs/dbraw/zinc/03/02/86/569030286.db2.gz RHCQIMTUZNSOCM-ZHACJKMWSA-N 0 0 412.537 5.023 40 0 HKABRN Cc1cnc(Nc2cc(C3CCN(C(=O)/C=C/c4ccccc4)CC3)ccn2)s1 ZINC000585292853 569030275 /nfs/dbraw/zinc/03/02/75/569030275.db2.gz PBQREVWMSQUCRT-BQYQJAHWSA-N 0 0 404.539 5.010 40 0 HKABRN Cc1cccnc1Nc1nc(C2CCN(C(=O)/C=C/c3ccccc3)CC2)cs1 ZINC000585293092 569030250 /nfs/dbraw/zinc/03/02/50/569030250.db2.gz WQMXDSUAKVQNOB-MDZDMXLPSA-N 0 0 404.539 5.010 40 0 HKABRN Cc1csc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)/C=C/c3ccccc3)n2)n1 ZINC000585293095 569030279 /nfs/dbraw/zinc/03/02/79/569030279.db2.gz WTXMXPAIAWOUDS-CVTTXWKISA-N 0 0 419.554 5.061 40 0 HKABRN Cc1csc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)/C=C/c3ccccc3)n2)n1 ZINC000585293096 569030227 /nfs/dbraw/zinc/03/02/27/569030227.db2.gz WTXMXPAIAWOUDS-TZZQJPOUSA-N 0 0 419.554 5.061 40 0 HKABRN CC(C)[C@@H]1C[C@H](c2ccccc2Cl)CO[C@H]1c1cccc(OCC(=O)N(C)C)c1 ZINC000585293979 569030274 /nfs/dbraw/zinc/03/02/74/569030274.db2.gz CHSYZGDAENHMGT-XZOYJPPVSA-N 0 0 415.961 5.324 40 0 HKABRN Cc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ccc(Cl)cn3)cs2)cc1 ZINC000585294540 569030265 /nfs/dbraw/zinc/03/02/65/569030265.db2.gz IDOVJOUEGKYNAG-IBGZPJMESA-N 0 0 412.946 5.089 40 0 HKABRN Cc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccc(Cl)cn3)cs2)cc1 ZINC000585294542 569030234 /nfs/dbraw/zinc/03/02/34/569030234.db2.gz IDOVJOUEGKYNAG-LJQANCHMSA-N 0 0 412.946 5.089 40 0 HKABRN Cc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccc(Cl)nc3)cs2)cc1 ZINC000585295223 569030284 /nfs/dbraw/zinc/03/02/84/569030284.db2.gz QSJOLEZEGJFJBI-GOSISDBHSA-N 0 0 412.946 5.089 40 0 HKABRN Cc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ccc(Cl)nc3)cs2)cc1 ZINC000585295224 569030267 /nfs/dbraw/zinc/03/02/67/569030267.db2.gz QSJOLEZEGJFJBI-SFHVURJKSA-N 0 0 412.946 5.089 40 0 HKABRN Cc1ccc(CN2CCC[C@H]2c2csc(NC(=O)c3cccc(Cl)c3)n2)cn1 ZINC000585295252 569030233 /nfs/dbraw/zinc/03/02/33/569030233.db2.gz RUALHXDBNSSGLP-IBGZPJMESA-N 0 0 412.946 5.089 40 0 HKABRN Cc1ccc(CN2CCC[C@@H]2c2csc(NC(=O)c3cccc(Cl)c3)n2)cn1 ZINC000585295253 569030285 /nfs/dbraw/zinc/03/02/85/569030285.db2.gz RUALHXDBNSSGLP-LJQANCHMSA-N 0 0 412.946 5.089 40 0 HKABRN CC(C)[C@@H]1C[C@H](c2ccc(Cl)cc2)CO[C@H]1c1cccc(OCC(=O)N(C)C)c1 ZINC000585295286 569030254 /nfs/dbraw/zinc/03/02/54/569030254.db2.gz SWZVVAFWLMZGKZ-APTRMMRNSA-N 0 0 415.961 5.324 40 0 HKABRN CC(C)Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)CCCCCn1cccc1 ZINC000604419004 558887283 /nfs/dbraw/zinc/88/72/83/558887283.db2.gz GPNURBWJHRFMEE-QHCPKHFHSA-N 0 0 406.574 5.418 40 0 HKABRN CC(C)CCCC(=O)[C@@H]1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1 ZINC000606451967 559066133 /nfs/dbraw/zinc/06/61/33/559066133.db2.gz VEAJFPQMQJBQSR-NRFANRHFSA-N 0 0 407.901 5.380 40 0 HKABRN CC(C)CCCC(=O)[C@H]1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1 ZINC000606451968 559066176 /nfs/dbraw/zinc/06/61/76/559066176.db2.gz VEAJFPQMQJBQSR-OAQYLSRUSA-N 0 0 407.901 5.380 40 0 HKABRN Cc1nn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1Br ZINC000685937270 569383292 /nfs/dbraw/zinc/38/32/92/569383292.db2.gz FPADWPDHGMIHER-UHFFFAOYSA-N 0 0 401.148 5.348 40 0 HKABRN