smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C(=S)Sc1nc2ccccc2o1)c1cccc2ccccc21 ZINC000000538047 219304671 /nfs/dbraw/zinc/30/46/71/219304671.db2.gz LJYUANIJQACDNJ-UHFFFAOYSA-N 0 0 350.468 5.494 10 0 in-man FKAERN CSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000000598626 210250310 /nfs/dbraw/zinc/25/03/10/210250310.db2.gz ZPXPEKQMLOAPLT-UHFFFAOYSA-N 0 0 361.445 5.667 10 0 in-vitro FKAERN COc1ccc([C@H](Cc2ccncc2)c2ccccc2)cc1OC1CCCC1 ZINC000000599006 560178468 /nfs/dbraw/zinc/17/84/68/560178468.db2.gz UTUUPXBCDMQYRR-HSZRJFAPSA-N 0 0 373.496 5.786 10 0 in-vitro FKAERN Clc1ccc(/C(=C/c2ccc(Cl)cc2Cl)Cn2ccnc2)cc1 ZINC000000608163 203916803 /nfs/dbraw/zinc/91/68/03/203916803.db2.gz WNGFKUOERJDDIY-OQLLNIDSSA-N 0 0 363.675 6.084 10 0 in-man FKAERN Clc1ccc(-c2cs/c(=N/c3ccccc3)n2Cc2ccco2)cc1 ZINC000000639617 209373430 /nfs/dbraw/zinc/37/34/30/209373430.db2.gz XSZSPGUINNFXLF-LSDHQDQOSA-N 0 0 366.873 5.744 10 0 FKAERN COc1ccc(-c2nc(-c3ccccc3O)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000000688267 206825610 /nfs/dbraw/zinc/82/56/10/206825610.db2.gz GWLONRWBXZZKKV-UHFFFAOYSA-N 0 0 372.424 5.134 10 0 FKAERN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1C1CCCCC1 ZINC000000708277 210264678 /nfs/dbraw/zinc/26/46/78/210264678.db2.gz UJPMFCVTDGRYBL-PXLXIMEGSA-N 0 0 361.489 5.416 10 0 FKAERN CCOc1ccc(C(=O)Nc2cccc3ccccc32)cc1Br ZINC000000817494 210276319 /nfs/dbraw/zinc/27/63/19/210276319.db2.gz ZGAVQPUZCIYNJR-UHFFFAOYSA-N 0 0 370.246 5.253 10 0 FKAERN CC(=O)c1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 ZINC000000834963 219328660 /nfs/dbraw/zinc/32/86/60/219328660.db2.gz ITDQIXONUYZLLL-UHFFFAOYSA-N 0 0 368.230 5.057 10 0 FKAERN COc1ccc([C@@H](Cc2ccncc2)c2ccccc2)cc1OC1CCCC1 ZINC000000837561 219329147 /nfs/dbraw/zinc/32/91/47/219329147.db2.gz UTUUPXBCDMQYRR-QHCPKHFHSA-N 0 0 373.496 5.786 10 0 in-vitro FKAERN Nc1c(C(=O)C2CC2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000001029502 210303344 /nfs/dbraw/zinc/30/33/44/210303344.db2.gz STWRWONGYZOBDH-UHFFFAOYSA-N 0 0 362.376 5.157 10 0 FKAERN Cc1cccc2c1N(C(=O)Nc1ccc(OCc3ccccc3)cc1)CCC2 ZINC000001034317 132379600 /nfs/dbraw/zinc/37/96/00/132379600.db2.gz FCPQGKUNIIJMDF-UHFFFAOYSA-N 0 0 372.468 5.559 10 0 FKAERN O=C(c1nccn1Cc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000001037193 219356230 /nfs/dbraw/zinc/35/62/30/219356230.db2.gz DYELYLSONUQZSM-UHFFFAOYSA-N 0 0 365.647 5.123 10 0 FKAERN C[C@@H](c1ccccc1)N(C(=O)Nc1cccc(Cl)c1)C1=NC[C@H](C)S1 ZINC000001044143 210307545 /nfs/dbraw/zinc/30/75/45/210307545.db2.gz BDQMMSVSXWXVTE-KBPBESRZSA-N 0 0 373.909 5.426 10 0 FKAERN C[C@@H](c1ccccc1)N(C(=O)Nc1cccc(Cl)c1)C1=NC[C@@H](C)S1 ZINC000001044144 219357768 /nfs/dbraw/zinc/35/77/68/219357768.db2.gz BDQMMSVSXWXVTE-KGLIPLIRSA-N 0 0 373.909 5.426 10 0 FKAERN C[C@H](c1ccccc1)N(C(=O)Nc1cccc(Cl)c1)C1=NC[C@H](C)S1 ZINC000001044145 219357154 /nfs/dbraw/zinc/35/71/54/219357154.db2.gz BDQMMSVSXWXVTE-UONOGXRCSA-N 0 0 373.909 5.426 10 0 FKAERN Cc1cc(C)c(Nc2nnc(SCC(=O)c3ccccc3)s2)cc1C ZINC000001045634 570476433 /nfs/dbraw/zinc/47/64/33/570476433.db2.gz LINKNOBQEVHUFD-UHFFFAOYSA-N 0 0 369.515 5.182 10 0 FKAERN CC(C)(C)c1cc(C(=O)Oc2ccc(Cl)cc2)n(Cc2ccccc2)n1 ZINC000001047692 570476935 /nfs/dbraw/zinc/47/69/35/570476935.db2.gz SNHBNMGONRXDBJ-UHFFFAOYSA-N 0 0 368.864 5.102 10 0 FKAERN CC(C)(C)c1cc(C(=O)Nc2ccc(Cl)cc2)n(Cc2ccccc2)n1 ZINC000001047695 219358318 /nfs/dbraw/zinc/35/83/18/219358318.db2.gz OUCLBHJUXBEQHW-UHFFFAOYSA-N 0 0 367.880 5.135 10 0 FKAERN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000001047861 210308636 /nfs/dbraw/zinc/30/86/36/210308636.db2.gz DQBZZZMFCONNDF-UHFFFAOYSA-N 0 0 362.376 5.390 10 0 FKAERN Cc1c(Sc2ccc(Cl)cc2)cnn1C(=O)c1ccc(Cl)cc1 ZINC000001047932 210308555 /nfs/dbraw/zinc/30/85/55/210308555.db2.gz PEWLVOPQBRNXII-UHFFFAOYSA-N 0 0 363.269 5.338 10 0 FKAERN Cc1ccccc1NC(=O)c1ccc(NC(=O)C2(C)CCCCC2)cc1 ZINC000001051531 210309904 /nfs/dbraw/zinc/30/99/04/210309904.db2.gz SXBXCOHQBHXEBN-UHFFFAOYSA-N 0 0 350.462 5.156 10 0 FKAERN CCOC(=O)c1nc(Cl)c(Cl)c(Nc2cccc(F)c2)c1Cl ZINC000001070367 219364267 /nfs/dbraw/zinc/36/42/67/219364267.db2.gz VWINTZLVSWTFGE-UHFFFAOYSA-N 0 0 363.603 5.101 10 0 FKAERN COc1cc(C)c(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1C(C)C ZINC000001070371 219364672 /nfs/dbraw/zinc/36/46/72/219364672.db2.gz YUQOJMQVZGTEKN-WQRHYEAKSA-N 0 0 369.848 5.125 10 0 FKAERN CCOC(=O)c1c(NC(=O)c2ccc(C(C)C)cc2)sc2c1CCCC2 ZINC000001284148 206872340 /nfs/dbraw/zinc/87/23/40/206872340.db2.gz ZQEWDBUEAOPREP-UHFFFAOYSA-N 0 0 371.502 5.179 10 0 FKAERN Cc1ccc(-c2ccc(OC(=O)c3ccc(Br)o3)cc2)cc1 ZINC000001284979 219394235 /nfs/dbraw/zinc/39/42/35/219394235.db2.gz HOLZPNNSAMFEJF-UHFFFAOYSA-N 0 0 357.203 5.237 10 0 FKAERN Cc1ccc(-c2csc(NC(=O)CCc3cccc(Cl)c3)n2)cc1 ZINC000001285118 219393539 /nfs/dbraw/zinc/39/35/39/219393539.db2.gz BYBSWWXJLCALEN-UHFFFAOYSA-N 0 0 356.878 5.343 10 0 FKAERN Cc1sc(NC(=O)CCc2cccc(Cl)c2)nc1-c1ccc(C)cc1 ZINC000001285119 219393710 /nfs/dbraw/zinc/39/37/10/219393710.db2.gz UIZFASOAUIIWBE-UHFFFAOYSA-N 0 0 370.905 5.652 10 0 FKAERN O=C(CCc1cccc(Cl)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000001285135 219393784 /nfs/dbraw/zinc/39/37/84/219393784.db2.gz RJUQCYBXNGQSAR-UHFFFAOYSA-N 0 0 362.178 5.584 10 0 FKAERN O=C(CCc1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001285156 219394160 /nfs/dbraw/zinc/39/41/60/219394160.db2.gz JSQMDHBTCIZNJA-UHFFFAOYSA-N 0 0 362.178 5.584 10 0 FKAERN O=C(CCc1cccc(Cl)c1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000001285167 219393647 /nfs/dbraw/zinc/39/36/47/219393647.db2.gz VZSFFYSMUVDXRD-UHFFFAOYSA-N 0 0 360.841 5.174 10 0 FKAERN Cc1ccc(-c2csc(NC(=O)CCc3cccc(Cl)c3)n2)cc1C ZINC000001285170 219393472 /nfs/dbraw/zinc/39/34/72/219393472.db2.gz HMQVRFADIROHJC-UHFFFAOYSA-N 0 0 370.905 5.652 10 0 FKAERN Cc1sc(NC(=O)CCc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000001285171 219394317 /nfs/dbraw/zinc/39/43/17/219394317.db2.gz MWLBMKXQJVONIX-UHFFFAOYSA-N 0 0 356.878 5.343 10 0 FKAERN Cc1sc(NC(=O)CCc2cccc(Cl)c2)nc1-c1ccc(F)cc1 ZINC000001285256 219394108 /nfs/dbraw/zinc/39/41/08/219394108.db2.gz VKIVURBBWFGEKT-UHFFFAOYSA-N 0 0 374.868 5.482 10 0 FKAERN C[C@@H]1CCc2c(sc3ncnc(Nc4ccc(Br)cc4)c23)C1 ZINC000001291036 219394139 /nfs/dbraw/zinc/39/41/39/219394139.db2.gz IWTSWOBBTYIXFJ-SNVBAGLBSA-N 0 0 374.307 5.322 10 0 FKAERN CC(=C/c1ccccc1)/C=C1\SC(=S)N(c2ccccc2F)C1=O ZINC000001299844 570884339 /nfs/dbraw/zinc/88/43/39/570884339.db2.gz IRSQMLSUGVFWGM-RQGFIEOQSA-N 0 0 355.459 5.178 10 0 FKAERN Cc1cc(C(=O)Sc2ccc(Cl)cc2)n(Cc2ccc(C)cc2)n1 ZINC000001324171 210340232 /nfs/dbraw/zinc/34/02/32/210340232.db2.gz KHKDXQDAWJTOIC-UHFFFAOYSA-N 0 0 356.878 5.134 10 0 FKAERN Cc1cc(C(=O)Nc2cccc(C)c2)nn1Cc1c(Cl)cccc1Cl ZINC000001324177 206873378 /nfs/dbraw/zinc/87/33/78/206873378.db2.gz SKUQQQWNGFTXFN-UHFFFAOYSA-N 0 0 374.271 5.107 10 0 FKAERN CC(=O)c1ccccc1NC=CC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000001394709 206878454 /nfs/dbraw/zinc/87/84/54/206878454.db2.gz PQEKYPZFGGGWIB-NXVVXOECSA-N 0 0 357.409 5.490 10 0 FKAERN Cc1ccc(NC=CC(=O)c2cnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000001394714 210349025 /nfs/dbraw/zinc/34/90/25/210349025.db2.gz PODXYHUQKHJPIM-KHPPLWFESA-N 0 0 354.862 5.580 10 0 FKAERN Cc1ccc(NC=CC(=O)c2ccc3noc(-c4cccc(F)c4)c3c2)cc1 ZINC000001406971 524914540 /nfs/dbraw/zinc/91/45/40/524914540.db2.gz GXUBUNHAQCFDFE-QXMHVHEDSA-N 0 0 372.399 5.751 10 0 FKAERN Cc1cccc(N(CC(=O)c2ccccc2Cl)C2=NCCCS2)c1C ZINC000001440355 210352987 /nfs/dbraw/zinc/35/29/87/210352987.db2.gz HTUXHFMJMJNLBS-UHFFFAOYSA-N 0 0 372.921 5.139 10 0 FKAERN Cc1c(C)c(Br)cc(C(=O)Nc2ccccc2Cl)c1C ZINC000001462892 206149483 /nfs/dbraw/zinc/14/94/83/206149483.db2.gz HSTSBFASZIUTHJ-UHFFFAOYSA-N 0 0 352.659 5.280 10 0 FKAERN O=C(c1ccco1)N(Cc1ccc(Cl)cc1)Cc1ccc2cc[nH]c2c1 ZINC000001501795 210356969 /nfs/dbraw/zinc/35/69/69/210356969.db2.gz JXVUSYVDCQPTOH-UHFFFAOYSA-N 0 0 364.832 5.257 10 0 FKAERN CC(C)(C)c1ccc(C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000001502499 206886405 /nfs/dbraw/zinc/88/64/05/206886405.db2.gz JBOFDQYIWJLGEC-UHFFFAOYSA-N 0 0 360.501 5.485 10 0 FKAERN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(F)c(F)c1 ZINC000001505416 204011228 /nfs/dbraw/zinc/01/12/28/204011228.db2.gz AKRNEHFQTPNHFU-UHFFFAOYSA-N 0 0 366.392 5.494 10 0 FKAERN Cc1ccc(C)c(-c2csc(NC(=O)c3cccc4ccccc43)n2)c1 ZINC000001505474 210357399 /nfs/dbraw/zinc/35/73/99/210357399.db2.gz ITQZKZAPWKLAMF-UHFFFAOYSA-N 0 0 358.466 5.832 10 0 FKAERN COc1ccc(C2=Nc3ccccc3N[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000001508896 219409093 /nfs/dbraw/zinc/40/90/93/219409093.db2.gz XMKGFJDQHQMBRA-JOCHJYFZSA-N 0 0 358.441 5.382 10 0 FKAERN Cc1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)sc2c1 ZINC000001512000 219409912 /nfs/dbraw/zinc/40/99/12/219409912.db2.gz NPXVDCCCAWZWCC-UHFFFAOYSA-N 0 0 350.487 5.791 10 0 FKAERN CC[C@@H]1COC(c2ccc(OCCCCCCCc3cc(C)no3)cc2)=N1 ZINC000001530459 560181364 /nfs/dbraw/zinc/18/13/64/560181364.db2.gz PZDSRPCFNWOUFP-LJQANCHMSA-N 0 0 370.493 5.110 10 0 in-vitro FKAERN CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C)[nH]c2ccccc2c1=O ZINC000001531916 560181503 /nfs/dbraw/zinc/18/15/03/560181503.db2.gz JHMLNOXMSHURLQ-YEFHWUCQSA-N 0 0 363.545 6.798 10 0 in-vitro FKAERN O=c1oc(-c2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1Cl ZINC000001571597 210227207 /nfs/dbraw/zinc/22/72/07/210227207.db2.gz CQYOWWHYFRCCKZ-UHFFFAOYSA-N 0 0 373.839 6.430 10 0 FKAERN O=C(N[C@@H]1CCCC[C@H]1C1CCCCC1)c1ccc(Cl)cc1Cl ZINC000001598613 219413355 /nfs/dbraw/zinc/41/33/55/219413355.db2.gz BXKWECWRROYKBN-MAUKXSAKSA-N 0 0 354.321 5.862 10 0 FKAERN O=C(N[C@H]1CCCC[C@@H]1C1CCCCC1)c1ccc(Cl)cc1Cl ZINC000001598614 204014139 /nfs/dbraw/zinc/01/41/39/204014139.db2.gz BXKWECWRROYKBN-QAPCUYQASA-N 0 0 354.321 5.862 10 0 FKAERN O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)c1ccc(Cl)cc1Cl ZINC000001598615 206889488 /nfs/dbraw/zinc/88/94/88/206889488.db2.gz BXKWECWRROYKBN-CRAIPNDOSA-N 0 0 354.321 5.862 10 0 FKAERN Cc1ccc(OC(C)C)c(-c2oc3ccc(Cl)cc3c(=O)c2Cl)c1 ZINC000001632872 203917373 /nfs/dbraw/zinc/91/73/73/203917373.db2.gz BJDBZPOQIKOABZ-UHFFFAOYSA-N 0 0 363.240 5.862 10 0 FKAERN Cc1cc(C(=O)c2ccccc2)c2oc(-c3ccccc3)c(Cl)c(=O)c2c1 ZINC000001673201 206798194 /nfs/dbraw/zinc/79/81/94/206798194.db2.gz AFCVPUNRFGZZJI-UHFFFAOYSA-N 0 0 374.823 5.653 10 0 FKAERN c1ccc(Oc2cccc(Oc3cccc(Oc4ccccc4)c3)c2)cc1 ZINC000001687815 210365780 /nfs/dbraw/zinc/36/57/80/210365780.db2.gz MVCITNPWSJQCBC-UHFFFAOYSA-N 0 0 354.405 7.064 10 0 FKAERN CCCCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000001758853 560184743 /nfs/dbraw/zinc/18/47/43/560184743.db2.gz RSEPBGGWRJCQGY-VZWAGXQNSA-N 0 0 356.506 5.350 10 0 in-vitro FKAERN Cc1ccc2nc(-c3ccc4nc(-c5ccc(N)cc5)sc4c3)sc2c1 ZINC000001764141 204018140 /nfs/dbraw/zinc/01/81/40/204018140.db2.gz YLEIZZYNXHCGKG-UHFFFAOYSA-N 0 0 373.506 6.131 10 0 FKAERN CCc1ccccc1/N=c1/cc(-c2ccc(OC)cc2)oc2ccc(C)cc21 ZINC000001805914 206150669 /nfs/dbraw/zinc/15/06/69/206150669.db2.gz FCFQEIRCNGALHJ-RWEWTDSWSA-N 0 0 369.464 6.212 10 0 FKAERN CC(=C/c1ccccc1)/C=C1\SC(=S)N(c2ccccc2Cl)C1=O ZINC000001819320 219420389 /nfs/dbraw/zinc/42/03/89/219420389.db2.gz JUFVJENXSYZSPO-RQGFIEOQSA-N 0 0 371.914 5.692 10 0 FKAERN C[C@@H](NP(=O)(Oc1ccccc1)Oc1ccccc1)c1ccccc1 ZINC000001839666 204021749 /nfs/dbraw/zinc/02/17/49/204021749.db2.gz OMEYXFVJSLEZAD-QGZVFWFLSA-N 0 0 353.358 5.603 10 0 FKAERN Nc1c(Cl)c(Cl)c(Cl)cc1Oc1ccc(Cl)cc1Cl ZINC000001845291 219420125 /nfs/dbraw/zinc/42/01/25/219420125.db2.gz VSHUWGXIMAIKGQ-UHFFFAOYSA-N 0 0 357.451 6.328 10 0 FKAERN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000001884331 204022961 /nfs/dbraw/zinc/02/29/61/204022961.db2.gz RSOBQUHZVSXIBK-VGOFMYFVSA-N 0 0 374.440 5.754 10 0 FKAERN Oc1ccccc1Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001884553 210373378 /nfs/dbraw/zinc/37/33/78/210373378.db2.gz QMVZPHXBSXJWRB-UHFFFAOYSA-N 0 0 358.435 6.452 10 0 FKAERN CCCCC(=O)Nc1scc(-c2ccc(C)c(C)c2)c1C(=O)OCC ZINC000001906305 210375134 /nfs/dbraw/zinc/37/51/34/210375134.db2.gz FWTBBIOEUIWLES-UHFFFAOYSA-N 0 0 359.491 5.337 10 0 FKAERN O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(OCc2ccccc2)cc1 ZINC000001909221 210374420 /nfs/dbraw/zinc/37/44/20/210374420.db2.gz WNPAJMLBPKWOPU-NTEUORMPSA-N 0 0 363.844 5.571 10 0 FKAERN Cc1ccc(-c2csc(NC(=O)/C=C/c3cccc(Cl)c3)n2)cc1 ZINC000001909286 210375202 /nfs/dbraw/zinc/37/52/02/210375202.db2.gz JSJALIIQKGEGFF-JXMROGBWSA-N 0 0 354.862 5.424 10 0 FKAERN Cc1sc(NC(=O)/C=C/c2cccc(Cl)c2)nc1-c1ccc(C)cc1 ZINC000001909291 210374340 /nfs/dbraw/zinc/37/43/40/210374340.db2.gz AEGFYCNLRYDVLV-DHZHZOJOSA-N 0 0 368.889 5.732 10 0 FKAERN Cc1ccc(-c2csc(NC(=O)/C=C/c3cccc(Cl)c3)n2)cc1C ZINC000001909353 210375536 /nfs/dbraw/zinc/37/55/36/210375536.db2.gz SRPQPCMFVSFNBU-VQHVLOKHSA-N 0 0 368.889 5.732 10 0 FKAERN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C)cc1C ZINC000001918780 210374892 /nfs/dbraw/zinc/37/48/92/210374892.db2.gz LVWKTMKDZFUUGP-UXBLZVDNSA-N 0 0 374.278 5.117 10 0 FKAERN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1c(C)cccc1C ZINC000001918784 204022952 /nfs/dbraw/zinc/02/29/52/204022952.db2.gz GNSLLLRYURYOHM-DHZHZOJOSA-N 0 0 374.278 5.117 10 0 FKAERN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C)c(C)c1 ZINC000001918786 219422129 /nfs/dbraw/zinc/42/21/29/219422129.db2.gz ORCQMVGXOWSRBQ-UXBLZVDNSA-N 0 0 374.278 5.117 10 0 FKAERN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1CC ZINC000001918790 210374490 /nfs/dbraw/zinc/37/44/90/210374490.db2.gz LWWMUDXERSEOAU-FMIVXFBMSA-N 0 0 374.278 5.062 10 0 FKAERN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(CC)cc1 ZINC000001918792 204021971 /nfs/dbraw/zinc/02/19/71/204021971.db2.gz QQIMQGKQQMIFRM-KPKJPENVSA-N 0 0 374.278 5.062 10 0 FKAERN Cc1sc(NC(=O)/C=C/c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000001925531 210374360 /nfs/dbraw/zinc/37/43/60/210374360.db2.gz CIKNDQMAJANGQP-KPKJPENVSA-N 0 0 354.862 5.424 10 0 FKAERN CC(C)c1ccccc1NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000001925730 210374650 /nfs/dbraw/zinc/37/46/50/210374650.db2.gz TZSWPXLNWKICHW-SAPNQHFASA-N 0 0 371.480 6.041 10 0 FKAERN CCOc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000001925785 204022101 /nfs/dbraw/zinc/02/21/01/204022101.db2.gz RJPBTIWEPIMHLJ-LICLKQGHSA-N 0 0 373.452 5.316 10 0 FKAERN Cc1cccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1C ZINC000001925789 219421859 /nfs/dbraw/zinc/42/18/59/219421859.db2.gz WLNFLDGMIMXODW-DTQAZKPQSA-N 0 0 357.453 5.534 10 0 FKAERN Cc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1C ZINC000001925797 206898692 /nfs/dbraw/zinc/89/86/92/206898692.db2.gz CYWHVFILLWUMTF-RVDMUPIBSA-N 0 0 357.453 5.534 10 0 FKAERN CCc1ccccc1NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000001925801 210374999 /nfs/dbraw/zinc/37/49/99/210374999.db2.gz SEZVSFSANRELLB-SAPNQHFASA-N 0 0 357.453 5.480 10 0 FKAERN CCCCOc1ccc(/C=C/C(=O)Nc2ccc(N(CC)CC)cc2)cc1 ZINC000001925817 204022254 /nfs/dbraw/zinc/02/22/54/204022254.db2.gz SQYIQGYGGNYFJK-LICLKQGHSA-N 0 0 366.505 5.364 10 0 FKAERN CCCCOc1ccc(/C=C/C(=O)Nc2ccc(OCCCC)cc2)cc1 ZINC000001925822 210375398 /nfs/dbraw/zinc/37/53/98/210375398.db2.gz VWTYJPLINSKUEN-CXUHLZMHSA-N 0 0 367.489 5.696 10 0 FKAERN CCCCOc1ccc(/C=C/C(=O)Nc2ccc(CCCC)cc2)cc1 ZINC000001925826 204022385 /nfs/dbraw/zinc/02/23/85/204022385.db2.gz GPCKERLAHNIAIY-SFQUDFHCSA-N 0 0 351.490 5.860 10 0 FKAERN Cc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)c(Br)c1 ZINC000001927142 204022274 /nfs/dbraw/zinc/02/22/74/204022274.db2.gz XEAFNBLIYCSKNY-SOFGYWHQSA-N 0 0 350.643 5.063 10 0 FKAERN COc1ccc(-c2csc(NC(=O)/C=C/c3cccc(Cl)c3)n2)cc1 ZINC000001927201 219422596 /nfs/dbraw/zinc/42/25/96/219422596.db2.gz HMGFIVCBEUZQRS-BJMVGYQFSA-N 0 0 370.861 5.124 10 0 FKAERN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CC(C)C ZINC000001927309 204022653 /nfs/dbraw/zinc/02/26/53/204022653.db2.gz QGCSIUAJDQFOGX-UHFFFAOYSA-N 0 0 365.882 5.230 10 0 FKAERN CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)CC(C)C ZINC000001927319 204022269 /nfs/dbraw/zinc/02/22/69/204022269.db2.gz GFFVUFOQHCZXPH-UHFFFAOYSA-N 0 0 359.491 5.139 10 0 FKAERN CCCOc1ccccc1/C=C/C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001927404 204022836 /nfs/dbraw/zinc/02/28/36/204022836.db2.gz SMUUTKQCEZZRIC-JXMROGBWSA-N 0 0 350.245 5.434 10 0 FKAERN CCCOc1ccccc1/C=C/C(=O)Nc1ccc(Cl)cc1Cl ZINC000001927414 206899247 /nfs/dbraw/zinc/89/92/47/206899247.db2.gz XPMIBMMTCQHULL-JXMROGBWSA-N 0 0 350.245 5.434 10 0 FKAERN CCCCOc1ccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001930447 204022707 /nfs/dbraw/zinc/02/27/07/204022707.db2.gz IUWAWHWVEYTJKJ-FMIVXFBMSA-N 0 0 363.379 5.536 10 0 FKAERN Cc1sc(NC(=O)/C=C/c2ccc(F)cc2)nc1-c1ccc(C)cc1 ZINC000001930465 210375025 /nfs/dbraw/zinc/37/50/25/210375025.db2.gz QGWHONHGYRELHI-KPKJPENVSA-N 0 0 352.434 5.218 10 0 FKAERN CCCCOc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1 ZINC000001930478 210374720 /nfs/dbraw/zinc/37/47/20/210374720.db2.gz LKLGHLXUWIHIOX-FMIVXFBMSA-N 0 0 374.278 5.280 10 0 FKAERN CCCCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000001930501 204022726 /nfs/dbraw/zinc/02/27/26/204022726.db2.gz RNMSKXPFJDCRFF-IZZDOVSWSA-N 0 0 364.272 5.824 10 0 FKAERN CCCCc1ccc(NC(=O)/C=C/c2ccc(OCC)c(OC)c2)cc1 ZINC000001934746 204022120 /nfs/dbraw/zinc/02/21/20/204022120.db2.gz JHVYKTYBKJWIQW-RVDMUPIBSA-N 0 0 353.462 5.088 10 0 FKAERN CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC ZINC000001934790 210375085 /nfs/dbraw/zinc/37/50/85/210375085.db2.gz RIIVOLDLKHGZIF-WEVVVXLNSA-N 0 0 366.244 5.053 10 0 FKAERN CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)cc1OC ZINC000001935314 210375588 /nfs/dbraw/zinc/37/55/88/210375588.db2.gz DHTHCBWLPJLKEW-WEVVVXLNSA-N 0 0 366.244 5.053 10 0 FKAERN CCCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000001935324 210375659 /nfs/dbraw/zinc/37/56/59/210375659.db2.gz CRKMFUDFKQOTTJ-BJMVGYQFSA-N 0 0 350.245 5.434 10 0 FKAERN CCCCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000001935326 204022282 /nfs/dbraw/zinc/02/22/82/204022282.db2.gz WAKYAKMILQOCHR-IZZDOVSWSA-N 0 0 364.272 5.824 10 0 FKAERN CC(C)Oc1ccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 ZINC000001937118 204022055 /nfs/dbraw/zinc/02/20/55/204022055.db2.gz QVCOUGQMHKIOJE-ONNFQVAWSA-N 0 0 350.245 5.433 10 0 FKAERN O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(Br)cc1 ZINC000001937167 219423415 /nfs/dbraw/zinc/42/34/15/219423415.db2.gz IPGAMFQJKPCCRT-KRXBUXKQSA-N 0 0 371.061 5.408 10 0 FKAERN COc1cc(Cl)c(C)cc1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000001937302 204022239 /nfs/dbraw/zinc/02/22/39/204022239.db2.gz DBLUEHXIIGCPCR-GQCTYLIASA-N 0 0 370.663 5.616 10 0 FKAERN CC(C)Oc1ccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)cc1 ZINC000001939800 206899105 /nfs/dbraw/zinc/89/91/05/206899105.db2.gz VEJHIAHIESQYCN-ZHACJKMWSA-N 0 0 350.245 5.433 10 0 FKAERN O=C(/C=C/c1c(Cl)cccc1Cl)Nc1cc(Cl)cc(Cl)c1 ZINC000001939825 204022685 /nfs/dbraw/zinc/02/26/85/204022685.db2.gz DWJDRIVXPFMJQM-SNAWJCMRSA-N 0 0 361.055 5.952 10 0 FKAERN O=C(/C=C/c1c(Cl)cccc1Cl)Nc1cccc(Br)c1 ZINC000001939828 210374810 /nfs/dbraw/zinc/37/48/10/210374810.db2.gz GEFBNRWNCSVSDI-BQYQJAHWSA-N 0 0 371.061 5.408 10 0 FKAERN Cc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c(Br)c1 ZINC000001940043 210375512 /nfs/dbraw/zinc/37/55/12/210375512.db2.gz BHNHFFIIIVAISB-YRNVUSSQSA-N 0 0 358.279 5.533 10 0 FKAERN COc1ccc(/C=C/C(=O)Nc2ccccc2C(C)C)cc1Br ZINC000001940238 210375247 /nfs/dbraw/zinc/37/52/47/210375247.db2.gz VNLQKCBUZDAECK-PKNBQFBNSA-N 0 0 374.278 5.233 10 0 FKAERN O=C(/C=C/c1c(Cl)cccc1Cl)Nc1ccccc1C(F)(F)F ZINC000001940399 204023147 /nfs/dbraw/zinc/02/31/47/204023147.db2.gz SGPGQMYOOMRIJG-CMDGGOBGSA-N 0 0 360.162 5.664 10 0 FKAERN O=C(/C=C/c1c(Cl)cccc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000001940401 204023969 /nfs/dbraw/zinc/02/39/69/204023969.db2.gz QPINFZCQYYBEOI-BQYQJAHWSA-N 0 0 360.162 5.664 10 0 FKAERN CCN(CC)c1ccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)cc1 ZINC000001940405 204023811 /nfs/dbraw/zinc/02/38/11/204023811.db2.gz ZGCSSQPUCSKCEO-OUKQBFOZSA-N 0 0 363.288 5.492 10 0 FKAERN CCCCc1ccc(NC(=O)/C=C/c2ccc(OCC)c(OCC)c2)cc1 ZINC000001940560 219422906 /nfs/dbraw/zinc/42/29/06/219422906.db2.gz DNSWGJRVFFGTGD-FOWTUZBSSA-N 0 0 367.489 5.479 10 0 FKAERN COc1cc(/C=C/C(=O)Nc2ccc(C(C)C)cc2)ccc1OC(C)C ZINC000001945362 210375615 /nfs/dbraw/zinc/37/56/15/210375615.db2.gz SEWHRKPONMQWSL-NTUHNPAUSA-N 0 0 353.462 5.258 10 0 FKAERN COc1cc(/C=C/C(=O)Nc2c(C)cccc2C(C)C)ccc1OC(C)C ZINC000001945372 518130025 /nfs/dbraw/zinc/13/00/25/518130025.db2.gz LCKJBBIOIKYVMX-ACCUITESSA-N 0 0 367.489 5.566 10 0 FKAERN COc1cc(/C=C/C(=O)Nc2ccc(Cl)cc2C)ccc1OC(C)C ZINC000001945550 206685225 /nfs/dbraw/zinc/68/52/25/206685225.db2.gz BLELBPQPRNWHBT-UXBLZVDNSA-N 0 0 359.853 5.096 10 0 FKAERN COc1cc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)ccc1OC(C)C ZINC000001945554 204023951 /nfs/dbraw/zinc/02/39/51/204023951.db2.gz CLGQORUPJSXXEL-VQHVLOKHSA-N 0 0 373.880 5.405 10 0 FKAERN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C=C(C)C ZINC000001945630 210375645 /nfs/dbraw/zinc/37/56/45/210375645.db2.gz JFPSDTMHDGUPCR-UHFFFAOYSA-N 0 0 357.475 5.113 10 0 FKAERN COc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 ZINC000001945770 210375475 /nfs/dbraw/zinc/37/54/75/210375475.db2.gz ZHIVPLKJSGRODL-YRNVUSSQSA-N 0 0 364.470 5.087 10 0 FKAERN Cc1sc(NC(=O)/C=C/c2ccc(C(C)C)cc2)nc1-c1ccccc1 ZINC000001945803 204024261 /nfs/dbraw/zinc/02/42/61/204024261.db2.gz SOGPTLHTFCOYSR-SDNWHVSQSA-N 0 0 362.498 5.894 10 0 FKAERN Cc1ccc(-c2csc(NC(=O)/C=C/c3ccc(Cl)cc3)n2)cc1C ZINC000001945839 204023300 /nfs/dbraw/zinc/02/33/00/204023300.db2.gz BHJGBVXJMGGORI-UXBLZVDNSA-N 0 0 368.889 5.732 10 0 FKAERN Cc1ccc(-c2csc(NC(=O)/C=C/c3ccc(F)cc3)n2)cc1C ZINC000001945949 204023663 /nfs/dbraw/zinc/02/36/63/204023663.db2.gz WZXTXWIGJZZLCL-UXBLZVDNSA-N 0 0 352.434 5.218 10 0 FKAERN Cc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000001946035 204023945 /nfs/dbraw/zinc/02/39/45/204023945.db2.gz MGOUEFOERVYPDF-IZZDOVSWSA-N 0 0 354.862 5.424 10 0 FKAERN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000001946857 204023637 /nfs/dbraw/zinc/02/36/37/204023637.db2.gz HHCQKVWYSFICBF-BJMVGYQFSA-N 0 0 367.798 6.134 10 0 FKAERN Cc1sc(NC(=O)/C=C/c2ccccc2Cl)nc1-c1ccc(C)cc1 ZINC000001959559 204023486 /nfs/dbraw/zinc/02/34/86/204023486.db2.gz IQLWGCGYZWTARP-VAWYXSNFSA-N 0 0 368.889 5.732 10 0 FKAERN CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000001959967 210376366 /nfs/dbraw/zinc/37/63/66/210376366.db2.gz MPLYYKCZUNFZHI-MDWZMJQESA-N 0 0 364.470 5.169 10 0 FKAERN CCCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2Br)cc1 ZINC000001965292 206899242 /nfs/dbraw/zinc/89/92/42/206899242.db2.gz QKRAAGFGFBJTOZ-YRNVUSSQSA-N 0 0 374.278 5.198 10 0 FKAERN CCCCOc1ccc(Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000001972720 204023428 /nfs/dbraw/zinc/02/34/28/204023428.db2.gz FOJNEMAJCYNJBB-UHFFFAOYSA-N 0 0 353.491 5.493 10 0 FKAERN CCCCOc1ccc(Nc2ncnc3sc4c(c32)CC[C@H](C)C4)cc1 ZINC000001972723 210377128 /nfs/dbraw/zinc/37/71/28/210377128.db2.gz NTFJKFDGABYHKL-AWEZNQCLSA-N 0 0 367.518 5.739 10 0 FKAERN CCOC(=O)c1c(NC(=O)C(C)C)sc(C)c1-c1ccc(Cl)cc1 ZINC000001973731 210376764 /nfs/dbraw/zinc/37/67/64/210376764.db2.gz AOGJHSAPBJEYMR-UHFFFAOYSA-N 0 0 365.882 5.148 10 0 FKAERN CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C(C)(C)C ZINC000001973735 210376078 /nfs/dbraw/zinc/37/60/78/210376078.db2.gz ZZTHRGIILHVZHZ-UHFFFAOYSA-N 0 0 359.491 5.139 10 0 FKAERN CCCCC(=O)Nc1scc(-c2ccc(CC)cc2)c1C(=O)OCC ZINC000001973742 210377496 /nfs/dbraw/zinc/37/74/96/210377496.db2.gz ITELLWDIQLDMHX-UHFFFAOYSA-N 0 0 359.491 5.283 10 0 FKAERN CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C=C(C)C ZINC000001973784 204023517 /nfs/dbraw/zinc/02/35/17/204023517.db2.gz DZUVYEBLQHDYIA-UHFFFAOYSA-N 0 0 357.475 5.059 10 0 FKAERN COC(=O)c1c(NC(=O)c2ccccc2C)sc(C)c1-c1ccccc1 ZINC000001973863 204023262 /nfs/dbraw/zinc/02/32/62/204023262.db2.gz CUTVOGKKKGBRMB-UHFFFAOYSA-N 0 0 365.454 5.071 10 0 FKAERN CCc1ccc(-c2csc(NC(=O)/C=C/c3ccc(OC)cc3)n2)cc1 ZINC000001974082 204024012 /nfs/dbraw/zinc/02/40/12/204024012.db2.gz QMZGMHZXPOXRIE-MDWZMJQESA-N 0 0 364.470 5.033 10 0 FKAERN COc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1 ZINC000001974086 210377341 /nfs/dbraw/zinc/37/73/41/210377341.db2.gz KTIXORFGTYNCQA-DHZHZOJOSA-N 0 0 370.861 5.124 10 0 FKAERN CC(C)Oc1ccc(-c2csc(NC(=O)/C=C/c3ccccc3)n2)cc1 ZINC000001974194 204023552 /nfs/dbraw/zinc/02/35/52/204023552.db2.gz JVKAQNZIKDNMNC-MDWZMJQESA-N 0 0 364.470 5.249 10 0 FKAERN Cc1ccc(C)c(-c2csc(NC(=O)/C=C/c3ccc(Cl)cc3)n2)c1 ZINC000001974222 204023558 /nfs/dbraw/zinc/02/35/58/204023558.db2.gz WZJVUFANBUMOAM-JXMROGBWSA-N 0 0 368.889 5.732 10 0 FKAERN CCc1ccc(-c2csc(NC(=O)/C=C/c3ccc(Cl)cc3)n2)cc1 ZINC000001974232 210376182 /nfs/dbraw/zinc/37/61/82/210376182.db2.gz XZGPKMUZFQJBTI-KPKJPENVSA-N 0 0 368.889 5.678 10 0 FKAERN Cc1ccc(C)c(-c2csc(NC(=O)/C=C/c3ccccc3Cl)n2)c1 ZINC000001974258 206899841 /nfs/dbraw/zinc/89/98/41/206899841.db2.gz UJGZPQDIRWRXKF-MDZDMXLPSA-N 0 0 368.889 5.732 10 0 FKAERN Cc1sc(NC(=O)/C=C/c2ccc(F)cc2)nc1-c1cccc(Cl)c1 ZINC000001974582 204023987 /nfs/dbraw/zinc/02/39/87/204023987.db2.gz WWKFNDHZNPLEDR-JXMROGBWSA-N 0 0 372.852 5.563 10 0 FKAERN CCOc1ccccc1-c1csc(NC(=O)/C=C/c2ccc(C)cc2)n1 ZINC000001974672 210376150 /nfs/dbraw/zinc/37/61/50/210376150.db2.gz LOPVOFDBOVHEKI-OUKQBFOZSA-N 0 0 364.470 5.169 10 0 FKAERN Cc1sc(NC(=O)/C=C/c2ccc(C)cc2)nc1-c1cccc(Cl)c1 ZINC000001974680 204023491 /nfs/dbraw/zinc/02/34/91/204023491.db2.gz ZMBAPTTWWQMBIC-ZHACJKMWSA-N 0 0 368.889 5.732 10 0 FKAERN COc1ccc(-c2oc3ccccc3c(=O)c2OCc2ccccc2)cc1 ZINC000001978341 210227337 /nfs/dbraw/zinc/22/73/37/210227337.db2.gz SSAQFZYVXPTKFK-UHFFFAOYSA-N 0 0 358.393 5.048 10 0 FKAERN CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)CC(C)(C)C ZINC000001980146 210376607 /nfs/dbraw/zinc/37/66/07/210376607.db2.gz LTGMNAALLCZNAR-UHFFFAOYSA-N 0 0 373.518 5.529 10 0 FKAERN CCOc1ccc(/C=C/C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC ZINC000001986092 204023816 /nfs/dbraw/zinc/02/38/16/204023816.db2.gz JGRUUBDULPNZLY-FNORWQNLSA-N 0 0 366.244 5.053 10 0 FKAERN Cc1cc(C)c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000001986182 210376014 /nfs/dbraw/zinc/37/60/14/210376014.db2.gz YBFATWJPJBWZFE-GQCTYLIASA-N 0 0 354.664 5.916 10 0 FKAERN CCOc1ccccc1/C=C/C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001986543 210376189 /nfs/dbraw/zinc/37/61/89/210376189.db2.gz XMSTXQJQPVQZJJ-JXMROGBWSA-N 0 0 369.770 5.409 10 0 FKAERN CCCS[P@@](=O)(OCC)Oc1ccc(Br)cc1Cl ZINC000002006793 560185401 /nfs/dbraw/zinc/18/54/01/560185401.db2.gz QYMMJNLHFKGANY-KRWDZBQOSA-N 0 0 373.636 5.769 10 0 in-vitro FKAERN CCCS[P@](=O)(OCC)Oc1ccc(Br)cc1Cl ZINC000002006794 204023599 /nfs/dbraw/zinc/02/35/99/204023599.db2.gz QYMMJNLHFKGANY-QGZVFWFLSA-N 0 0 373.636 5.769 10 0 in-vitro FKAERN COc1ccc(C2=CSC(Nc3ccccc3)=NN2c2ccccc2)cc1 ZINC000002030347 132382566 /nfs/dbraw/zinc/38/25/66/132382566.db2.gz NZEPSALASGHEIP-UHFFFAOYSA-N 0 0 373.481 5.630 10 0 FKAERN CC(C)(C)NC(=O)OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC000002144480 204026935 /nfs/dbraw/zinc/02/69/35/204026935.db2.gz QIFNVUKEXYKDGB-UHFFFAOYSA-N 0 0 357.397 5.459 10 0 FKAERN CC(=O)c1sc(C(C)(C)C)cc1NC(=O)C(Cl)=C(Cl)Cl ZINC000002152813 219429947 /nfs/dbraw/zinc/42/99/47/219429947.db2.gz DGYSSWIHCCHIJN-UHFFFAOYSA-N 0 0 354.686 5.072 10 0 FKAERN O=C(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1ccccc1Cl ZINC000002157846 210381134 /nfs/dbraw/zinc/38/11/34/210381134.db2.gz XSPGPQFABCFAID-UHFFFAOYSA-N 0 0 366.635 5.085 10 0 FKAERN CC(=O)c1sc(-c2ccccc2)cc1NC(=O)C(Cl)=C(Cl)Cl ZINC000002158440 204027010 /nfs/dbraw/zinc/02/70/10/204027010.db2.gz XWRLHRPGLBLETI-UHFFFAOYSA-N 0 0 374.676 5.442 10 0 FKAERN CCN[P@@](=O)(OC)SCc1c(Cl)sc2ccc(Cl)cc21 ZINC000002380528 204036948 /nfs/dbraw/zinc/03/69/48/204036948.db2.gz MOLGPVLMEDQUSV-GOSISDBHSA-N 0 0 370.263 5.805 10 0 FKAERN FC(F)(F)c1cc(Cl)ncc1-c1ncc(-c2cccc(Cl)c2)o1 ZINC000002380541 210395145 /nfs/dbraw/zinc/39/51/45/210395145.db2.gz XHAYAKQCUJFLPA-UHFFFAOYSA-N 0 0 359.134 5.729 10 0 FKAERN CCCCCC[C@@H](C)OC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000002382708 210394758 /nfs/dbraw/zinc/39/47/58/210394758.db2.gz LNNVYVOLCDEYEU-LLVKDONJSA-N 0 0 367.700 5.928 10 0 in-vitro FKAERN Clc1cc2c(Cl)c(Cl)c(Cl)c(Cl)c2c(Cl)c1Cl ZINC000002383341 263145072 /nfs/dbraw/zinc/14/50/72/263145072.db2.gz NDZIBNJHNBUHKW-UHFFFAOYSA-N 0 0 369.289 7.414 10 0 FKAERN CCO[P@](=O)(NC(C)C)SCc1c(Cl)sc2ccccc21 ZINC000002383429 210395662 /nfs/dbraw/zinc/39/56/62/210395662.db2.gz PSFQIWLQWOFLJE-LJQANCHMSA-N 0 0 363.872 5.931 10 0 FKAERN CCOC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000002386336 209395339 /nfs/dbraw/zinc/39/53/39/209395339.db2.gz OYGDJCJJPUKBCI-UHFFFAOYSA-N 0 0 362.425 5.021 10 0 FKAERN CC(C)Cc1ccc([C@@H](C)c2nnc(-c3ccccc3C(F)(F)F)o2)cc1 ZINC000002387780 206913356 /nfs/dbraw/zinc/91/33/56/206913356.db2.gz GDOGNOLENLRXAB-CQSZACIVSA-N 0 0 374.406 6.106 10 0 FKAERN Cc1ccc(Oc2ccc(C(F)(F)F)cc2-n2cccc2)c2c1CCC2 ZINC000002388202 210395674 /nfs/dbraw/zinc/39/56/74/210395674.db2.gz CFIFQWRSOUQLLP-UHFFFAOYSA-N 0 0 357.375 6.086 10 0 FKAERN CCOC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000002530990 263145374 /nfs/dbraw/zinc/14/53/74/263145374.db2.gz RQXAEHUFPQJLDD-UHFFFAOYSA-N 0 0 362.425 5.021 10 0 FKAERN O=P(Oc1noc2ccccc21)(Oc1ccccc1)Oc1ccccc1 ZINC000002539644 206920084 /nfs/dbraw/zinc/92/00/84/206920084.db2.gz JPOAONLOMFVCMC-UHFFFAOYSA-N 0 0 367.297 5.473 10 0 FKAERN CCOC(=O)c1cc(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)s1 ZINC000002540240 210227102 /nfs/dbraw/zinc/22/71/02/210227102.db2.gz YYQXVZOZJBNDDR-UHFFFAOYSA-N 0 0 369.191 5.917 10 0 FKAERN CC1CCN(C(=O)Nc2c(Cl)nsc2-c2ccccc2Cl)CC1 ZINC000002555873 204044037 /nfs/dbraw/zinc/04/40/37/204044037.db2.gz YUBMZSPHZQHZTR-UHFFFAOYSA-N 0 0 370.305 5.381 10 0 FKAERN O[C@@](c1ccc(Cl)cc1)(c1ccccc1Cl)C(Cl)(Cl)Cl ZINC000002557520 560187703 /nfs/dbraw/zinc/18/77/03/560187703.db2.gz LUXSISXJGNCOKN-ZDUSSCGKSA-N 0 0 370.490 5.600 10 0 in-vitro FKAERN Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)c1Cl ZINC000002568320 560188071 /nfs/dbraw/zinc/18/80/71/560188071.db2.gz YTWXDQVNPCIEOX-UHFFFAOYSA-N 0 0 360.882 7.274 10 0 in-vitro FKAERN Clc1cc2oc3c(c2cc1Cl)c(Cl)c(Cl)c(Cl)c3Cl ZINC000002568378 204045579 /nfs/dbraw/zinc/04/55/79/204045579.db2.gz LVYBAQIVPKCOEE-UHFFFAOYSA-N 0 0 374.865 7.506 10 0 in-vitro FKAERN Clc1cc(Cl)c(Cl)c2c3cc(Cl)c(Cl)c(Cl)c3oc21 ZINC000002569961 204044694 /nfs/dbraw/zinc/04/46/94/204044694.db2.gz CKDDYGBBKXIHRY-UHFFFAOYSA-N 0 0 374.865 7.506 10 0 FKAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)C1CCCCC1 ZINC000002570467 206921690 /nfs/dbraw/zinc/92/16/90/206921690.db2.gz VSVORUIMESBOHI-PMOQBDJRSA-N 0 0 355.566 6.056 10 0 FKAERN Clc1ccc(CSc2nnc(-c3cc(Cl)nc(Cl)c3)o2)cc1 ZINC000002570654 204044772 /nfs/dbraw/zinc/04/47/72/204044772.db2.gz HNMWXCHNAFVGGQ-UHFFFAOYSA-N 0 0 372.664 5.384 10 0 FKAERN CC(C)CCCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000002572250 210407027 /nfs/dbraw/zinc/40/70/27/210407027.db2.gz LRDPQMJVRJVAOH-UHFFFAOYSA-N 0 0 367.700 5.785 10 0 FKAERN CP(=O)(Nc1ccc(F)c(Cl)c1)Nc1ccc(F)c(Cl)c1 ZINC000002577692 206921472 /nfs/dbraw/zinc/92/14/72/206921472.db2.gz SGNRMAWWRRHDMZ-UHFFFAOYSA-N 0 0 351.120 5.619 10 0 in-vitro FKAERN O=C(Sc1ccc(Br)cc1)c1cnc(Cl)c(Cl)c1 ZINC000002581924 204044830 /nfs/dbraw/zinc/04/48/30/204044830.db2.gz FWKAZSMBIFLNSA-UHFFFAOYSA-N 0 0 363.063 5.083 10 0 FKAERN Cc1ccc(Nc2ncnc3scc(-c4ccc(C(C)C)cc4)c32)cc1C ZINC000002614779 204045699 /nfs/dbraw/zinc/04/56/99/204045699.db2.gz AIVBKKKIPDUGQW-UHFFFAOYSA-N 0 0 373.525 6.842 10 0 FKAERN O=[N+]([O-])c1ccccc1CC=CN=Nc1c(Cl)cc(Cl)cc1Cl ZINC000002619503 206922476 /nfs/dbraw/zinc/92/24/76/206922476.db2.gz FEPQNWQFUFKWBP-SQROSPRLSA-N 0 0 370.623 5.666 10 0 FKAERN CCCCn1c(COc2ccc3ccccc3c2Cl)nc2ccccc21 ZINC000002689226 209397429 /nfs/dbraw/zinc/39/74/29/209397429.db2.gz CTSMIULAMMMKCT-UHFFFAOYSA-N 0 0 364.876 6.222 10 0 FKAERN Cc1sc2nc(Cc3ccccc3)nc(Nc3ccc(O)cc3)c2c1C ZINC000002910584 204067318 /nfs/dbraw/zinc/06/73/18/204067318.db2.gz KKLVCIWGFUZHLF-UHFFFAOYSA-N 0 0 361.470 5.348 10 0 FKAERN Cc1sc2nc(Cc3ccccc3)nc(NC3CCCCC3)c2c1C ZINC000002910601 571341635 /nfs/dbraw/zinc/34/16/35/571341635.db2.gz IOEJTUYJKKOTKG-UHFFFAOYSA-N 0 0 351.519 5.644 10 0 FKAERN CSc1ccc([C@@H]2SCC(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000002949593 219477133 /nfs/dbraw/zinc/47/71/33/219477133.db2.gz JAJJCUHQZFTFTL-INIZCTEOSA-N 0 0 369.433 5.206 10 0 FKAERN CSc1ccc([C@H]2SCC(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000002949594 571342165 /nfs/dbraw/zinc/34/21/65/571342165.db2.gz JAJJCUHQZFTFTL-MRXNPFEDSA-N 0 0 369.433 5.206 10 0 FKAERN Cc1ccc(NC(=S)N(Cc2ccco2)[C@@H](C)c2ccco2)cc1F ZINC000002954207 571342948 /nfs/dbraw/zinc/34/29/48/571342948.db2.gz NGPORDNMGNLHLW-AWEZNQCLSA-N 0 0 358.438 5.280 10 0 FKAERN Cc1ccc(NC(=S)N(Cc2ccco2)[C@H](C)c2ccco2)cc1F ZINC000002954209 571342922 /nfs/dbraw/zinc/34/29/22/571342922.db2.gz NGPORDNMGNLHLW-CQSZACIVSA-N 0 0 358.438 5.280 10 0 FKAERN CCOc1ccc(NC(=O)N(Cc2ccco2)[C@H](C)c2cccs2)cc1 ZINC000002964930 204071584 /nfs/dbraw/zinc/07/15/84/204071584.db2.gz UOYWADSBHCWQCR-OAHLLOKOSA-N 0 0 370.474 5.535 10 0 FKAERN COc1cccc(NC(=O)N(Cc2ccco2)[C@@H](C)c2cccs2)c1 ZINC000002965021 210441829 /nfs/dbraw/zinc/44/18/29/210441829.db2.gz BCFZTDJEJGNIIJ-AWEZNQCLSA-N 0 0 356.447 5.145 10 0 FKAERN COc1cccc(NC(=O)N(Cc2ccco2)[C@H](C)c2cccs2)c1 ZINC000002965022 571343084 /nfs/dbraw/zinc/34/30/84/571343084.db2.gz BCFZTDJEJGNIIJ-CQSZACIVSA-N 0 0 356.447 5.145 10 0 FKAERN CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H]1CCCC[C@H]1C ZINC000003040569 210445864 /nfs/dbraw/zinc/44/58/64/210445864.db2.gz HFPXAKGDJUVMMH-UTKZUKDTSA-N 0 0 372.512 5.773 10 0 FKAERN CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@@H]1CCCC[C@H]1C ZINC000003040571 571343898 /nfs/dbraw/zinc/34/38/98/571343898.db2.gz HFPXAKGDJUVMMH-DYESRHJHSA-N 0 0 372.512 5.773 10 0 FKAERN CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000003040572 204075709 /nfs/dbraw/zinc/07/57/09/204075709.db2.gz HFPXAKGDJUVMMH-UWJYYQICSA-N 0 0 372.512 5.773 10 0 FKAERN CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000003040574 571343902 /nfs/dbraw/zinc/34/39/02/571343902.db2.gz HFPXAKGDJUVMMH-LAUBAEHRSA-N 0 0 372.512 5.773 10 0 FKAERN O=c1oc2ccc(Cl)cc2cc1-c1cn2c(n1)sc1cc(F)ccc12 ZINC000003052405 571344296 /nfs/dbraw/zinc/34/42/96/571344296.db2.gz SSDDMKYOALCRCX-UHFFFAOYSA-N 0 0 370.792 5.115 10 0 FKAERN COc1ccc(Cl)cc1-c1csc(-c2cc3ccccc3oc2=O)n1 ZINC000003073016 570551134 /nfs/dbraw/zinc/55/11/34/570551134.db2.gz CYVKVNRBQVGHFB-UHFFFAOYSA-N 0 0 369.829 5.246 10 0 FKAERN CCOc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)cc1 ZINC000003087636 210449872 /nfs/dbraw/zinc/44/98/72/210449872.db2.gz NAEKKNJQQHUQBL-UHFFFAOYSA-N 0 0 364.426 5.207 10 0 FKAERN CC(C)(C)CC(C)(C)c1ccc(OC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000003104070 206957306 /nfs/dbraw/zinc/95/73/06/206957306.db2.gz YRABMYDSMJAJLG-XNTDXEJSSA-N 0 0 370.920 6.673 10 0 FKAERN COc1ccccc1-c1csc(NC(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000003107652 204078276 /nfs/dbraw/zinc/07/82/76/204078276.db2.gz JXAOOOZIFSBWSK-UHFFFAOYSA-N 0 0 366.486 5.369 10 0 FKAERN CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(F)c(F)c3)n2)cc1 ZINC000003107675 204078561 /nfs/dbraw/zinc/07/85/61/204078561.db2.gz LIWXWZHRFFJVMG-UHFFFAOYSA-N 0 0 372.440 5.638 10 0 FKAERN O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@@H]1c1ccccc1Cl ZINC000003120612 204079989 /nfs/dbraw/zinc/07/99/89/204079989.db2.gz SFIYUOFJQWFWKH-FGZHOGPDSA-N 0 0 364.828 5.242 10 0 FKAERN O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@H]1c1ccccc1Cl ZINC000003120613 204079715 /nfs/dbraw/zinc/07/97/15/204079715.db2.gz SFIYUOFJQWFWKH-VXKWHMMOSA-N 0 0 364.828 5.242 10 0 FKAERN CC(C)c1ccc([C@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000003120623 219487751 /nfs/dbraw/zinc/48/77/51/219487751.db2.gz HBCKFPHXVUCAMA-JWQCQUIFSA-N 0 0 372.464 5.712 10 0 FKAERN c1ccc(-c2ccc(-c3nnc(-c4ccncc4)n3-c3ccccc3)cc2)cc1 ZINC000003125049 206958275 /nfs/dbraw/zinc/95/82/75/206958275.db2.gz NSPVZSFFTYGKMA-UHFFFAOYSA-N 0 0 374.447 5.663 10 0 FKAERN Cc1cc(Cl)c(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)cc1Cl ZINC000003130961 570552110 /nfs/dbraw/zinc/55/21/10/570552110.db2.gz UYFXTGWCTFIDKO-AWEZNQCLSA-N 0 0 362.300 5.743 10 0 FKAERN Cc1cc(Cl)c(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc1Cl ZINC000003130962 204079455 /nfs/dbraw/zinc/07/94/55/204079455.db2.gz UYFXTGWCTFIDKO-CQSZACIVSA-N 0 0 362.300 5.743 10 0 FKAERN CCOc1nn(-c2ccccc2)c(NC2CCCCC2)c1C(F)(F)F ZINC000003175753 219490260 /nfs/dbraw/zinc/49/02/60/219490260.db2.gz XGLMPXCTPVUNPN-UHFFFAOYSA-N 0 0 353.388 5.034 10 0 FKAERN C[C@H](NP(=O)(Oc1ccccc1)Oc1ccccc1)c1ccccc1 ZINC000003185495 204080740 /nfs/dbraw/zinc/08/07/40/204080740.db2.gz OMEYXFVJSLEZAD-KRWDZBQOSA-N 0 0 353.358 5.603 10 0 FKAERN CC(C)(C)C(=O)Nc1ccc(Oc2ccc(NC(=O)C(C)(C)C)cc2)cc1 ZINC000003212683 206960464 /nfs/dbraw/zinc/96/04/64/206960464.db2.gz SBOSSTSLRORPEF-UHFFFAOYSA-N 0 0 368.477 5.448 10 0 FKAERN Fc1ccc(COc2ncnc3c(Cl)cc(Cl)cc23)c(Cl)c1 ZINC000003286405 204086669 /nfs/dbraw/zinc/08/66/69/204086669.db2.gz TUDWHMPFTAQXGR-UHFFFAOYSA-N 0 0 357.599 5.308 10 0 FKAERN CC(=O)CCC(C)(C)c1nc2sc(C(C)(C)CCC(C)=O)nc2s1 ZINC000003609018 203918896 /nfs/dbraw/zinc/91/88/96/203918896.db2.gz KFDIYXKEXSLCTH-UHFFFAOYSA-N 0 0 366.552 5.046 10 0 FKAERN CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000003610638 204107874 /nfs/dbraw/zinc/10/78/74/204107874.db2.gz PZDFHHSXZRIAEF-HUUCEWRRSA-N 0 0 360.563 6.731 10 0 FKAERN CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000003610640 204108567 /nfs/dbraw/zinc/10/85/67/204108567.db2.gz PZDFHHSXZRIAEF-CABCVRRESA-N 0 0 360.563 6.731 10 0 FKAERN CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000003610642 210490215 /nfs/dbraw/zinc/49/02/15/210490215.db2.gz PZDFHHSXZRIAEF-GJZGRUSLSA-N 0 0 360.563 6.731 10 0 FKAERN O=C(C[C@H](c1ccccc1)[C@@H]1CCc2ccccc2C1=O)c1ccccc1 ZINC000003670056 204110867 /nfs/dbraw/zinc/11/08/67/204110867.db2.gz SSWYANKWNUMJKD-XZOQPEGZSA-N 0 0 354.449 5.489 10 0 FKAERN CCc1ccc(-n2nc(-c3cc4ccccc4o3)c3c2NCCCC3)cc1 ZINC000003695134 206989154 /nfs/dbraw/zinc/98/91/54/206989154.db2.gz QFQXSWCZDKJFSB-UHFFFAOYSA-N 0 0 357.457 5.596 10 0 FKAERN CS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)cc3Cl)CCC2)cc1 ZINC000003814640 204111652 /nfs/dbraw/zinc/11/16/52/204111652.db2.gz KSFMAASFLCWROX-UHFFFAOYSA-N 0 0 367.297 5.492 10 0 FKAERN Cc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000003814669 204111221 /nfs/dbraw/zinc/11/12/21/204111221.db2.gz CFMPDXYFWIFIRY-UHFFFAOYSA-N 0 0 358.409 5.011 10 0 FKAERN Brc1cccc(Nc2ncnc3c4ccccc4sc32)c1 ZINC000003815107 204111379 /nfs/dbraw/zinc/11/13/79/204111379.db2.gz FNWRJIWVXKOMHC-UHFFFAOYSA-N 0 0 356.248 5.351 10 0 FKAERN CCOc1cc(-c2cc3c(cc2C(C)C)nc(C)[nH]c3=O)ccc1Cl ZINC000003820240 204111657 /nfs/dbraw/zinc/11/16/57/204111657.db2.gz YTZUAMKAMKGUOC-UHFFFAOYSA-N 0 0 356.853 5.074 10 0 FKAERN CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000003830740 571307932 /nfs/dbraw/zinc/30/79/32/571307932.db2.gz NOTIQUSPUUHHEH-CPYIBKLXSA-N 0 0 360.538 5.166 10 0 FKAERN CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000003830741 571307834 /nfs/dbraw/zinc/30/78/34/571307834.db2.gz NOTIQUSPUUHHEH-AHYFPBRISA-N 0 0 360.538 5.166 10 0 FKAERN CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(=O)C[C@H]21 ZINC000003831162 206990977 /nfs/dbraw/zinc/99/09/77/206990977.db2.gz GECBBEABIDMGGL-OALUTQOASA-N 0 0 372.549 6.264 10 0 in-man FKAERN CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(=O)C[C@@H]21 ZINC000003831164 204111504 /nfs/dbraw/zinc/11/15/04/204111504.db2.gz GECBBEABIDMGGL-MOPGFXCFSA-N 0 0 372.549 6.264 10 0 in-man FKAERN CCCCCC[C@H](C)OC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000003870722 219527487 /nfs/dbraw/zinc/52/74/87/219527487.db2.gz LNNVYVOLCDEYEU-NSHDSACASA-N 0 0 367.700 5.928 10 0 in-vitro FKAERN Cc1nn(-c2ccccc2)c(Oc2ccc(-c3ccccc3)cc2)c1C=O ZINC000003885108 204113144 /nfs/dbraw/zinc/11/31/44/204113144.db2.gz ZHWHBSDEQLXSOU-UHFFFAOYSA-N 0 0 354.409 5.453 10 0 FKAERN Cc1nc2c(ccc3nc(NC(=O)c4ccccc4Cl)sc32)s1 ZINC000003893186 219528447 /nfs/dbraw/zinc/52/84/47/219528447.db2.gz KNMDFRBZLUGBDR-UHFFFAOYSA-N 0 0 359.863 5.120 10 0 FKAERN CCCc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)nc1 ZINC000003897688 204113665 /nfs/dbraw/zinc/11/36/65/204113665.db2.gz SVEUODNYHPBPIQ-UHFFFAOYSA-N 0 0 350.849 5.607 10 0 FKAERN COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccc(Cl)cc1 ZINC000003900877 132385915 /nfs/dbraw/zinc/38/59/15/132385915.db2.gz TXFRRLGLXOZGON-UHFFFAOYSA-N 0 0 356.853 5.583 10 0 FKAERN COc1cc(-c2nc3sccn3c2Nc2c(C)cccc2C)ccc1O ZINC000003910014 204115253 /nfs/dbraw/zinc/11/52/53/204115253.db2.gz SONCOXZXEVGMLE-UHFFFAOYSA-N 0 0 365.458 5.137 10 0 FKAERN CCCCC1CCC(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)CC1 ZINC000003912428 219531708 /nfs/dbraw/zinc/53/17/08/219531708.db2.gz DXJNZPLRLFWAKG-UHFFFAOYSA-N 0 0 363.571 5.320 10 0 FKAERN Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)cc1 ZINC000004069843 207000133 /nfs/dbraw/zinc/00/01/33/207000133.db2.gz NZBOVRQASCCOHZ-UHFFFAOYSA-N 0 0 363.269 5.678 10 0 FKAERN Oc1ccc(Br)c2ccc(/C=C/c3ccc(Cl)cc3)nc12 ZINC000004123413 204123938 /nfs/dbraw/zinc/12/39/38/204123938.db2.gz ZHNKLVQZSOCTLS-ZZXKWVIFSA-N 0 0 360.638 5.527 10 0 FKAERN CCCc1nc2ccc(Br)cn2c1Nc1c(C)cccc1C ZINC000004155362 571356223 /nfs/dbraw/zinc/35/62/23/571356223.db2.gz ZKBYDSMKMFQNPL-UHFFFAOYSA-N 0 0 358.283 5.410 10 0 FKAERN C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000004166576 560197231 /nfs/dbraw/zinc/19/72/31/560197231.db2.gz HKUKRSLIEVXDMS-KXEAFHOWSA-N 0 0 374.480 5.331 10 0 in-vitro FKAERN C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CCC2=O ZINC000004166593 210513650 /nfs/dbraw/zinc/51/36/50/210513650.db2.gz HKUKRSLIEVXDMS-APDHKMKFSA-N 0 0 374.480 5.331 10 0 in-vitro FKAERN C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C(C)(C)c5oncc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000004214912 207008054 /nfs/dbraw/zinc/00/80/54/207008054.db2.gz AXLOCHLTNQDFFS-BESJYZOMSA-N 0 0 355.522 5.038 10 0 in-man FKAERN COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@@](O)(C(F)=C(F)F)[C@@]3(C)CC[C@H]21 ZINC000004217192 560197435 /nfs/dbraw/zinc/19/74/35/560197435.db2.gz AWUGBSODAQALNP-JPDLMGPVSA-N 0 0 366.423 5.360 10 0 in-vitro FKAERN C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C=C(OC5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004217255 207008437 /nfs/dbraw/zinc/00/84/37/207008437.db2.gz ZUBDXGHKAAMAAA-RFXJPFPRSA-N 0 0 370.577 6.153 10 0 in-man FKAERN Cc1cc(NC2CCCCCCCCCCC2)c2ccc(C(=O)[O-])cc2[nH+]1 ZINC000004226545 204127389 /nfs/dbraw/zinc/12/73/89/204127389.db2.gz WWGJZDRQPGAXGW-UHFFFAOYSA-N 0 0 368.521 6.327 10 0 FKAERN Cc1cc(NC2CCCCCCCCCCC2)c2cccc(C(=O)[O-])c2[nH+]1 ZINC000004226601 204127419 /nfs/dbraw/zinc/12/74/19/204127419.db2.gz SMLMWMSJIUOMDA-UHFFFAOYSA-N 0 0 368.521 6.327 10 0 FKAERN CCOc1c(OC)cc(C=O)cc1Oc1ccc(OC)cc1C(C)(C)C ZINC000004227142 207008389 /nfs/dbraw/zinc/00/83/89/207008389.db2.gz FBHZYEWPTRDVFU-UHFFFAOYSA-N 0 0 358.434 5.005 10 0 FKAERN CCCOc1c(OC)cc(C=O)cc1Oc1ccc(CC)cc1C(C)(C)C ZINC000004227174 207007547 /nfs/dbraw/zinc/00/75/47/207007547.db2.gz CYHQQVMMHUVYSJ-UHFFFAOYSA-N 0 0 370.489 5.949 10 0 FKAERN CCCOc1c(OC)cc(C=O)cc1Oc1ccc(C)cc1C(C)(C)C ZINC000004227176 204128938 /nfs/dbraw/zinc/12/89/38/204128938.db2.gz NLIMMUQZULEJDZ-UHFFFAOYSA-N 0 0 356.462 5.695 10 0 FKAERN CCCOc1c(OC)cc(C=O)cc1Oc1ccc(C(C)(C)CC)cc1 ZINC000004227177 204128603 /nfs/dbraw/zinc/12/86/03/204128603.db2.gz HYRLKCHIBMEPOD-UHFFFAOYSA-N 0 0 356.462 5.776 10 0 FKAERN CCCOc1c(OC)cc(C=O)cc1Oc1c(C)cccc1C(C)(C)C ZINC000004227178 204128265 /nfs/dbraw/zinc/12/82/65/204128265.db2.gz ICDIBOZRHNPCKS-UHFFFAOYSA-N 0 0 356.462 5.695 10 0 FKAERN CCCOc1c(OC)cc(C=O)cc1Oc1ccc(OC)cc1C(C)(C)C ZINC000004227179 204128175 /nfs/dbraw/zinc/12/81/75/204128175.db2.gz OKGZPMZMMGMNEA-UHFFFAOYSA-N 0 0 372.461 5.395 10 0 FKAERN CCCOc1c(OC)cc(C=O)cc1Oc1ccc(-c2ccccc2)cc1 ZINC000004227183 204129188 /nfs/dbraw/zinc/12/91/88/204129188.db2.gz RAFZIFJINBSUKK-UHFFFAOYSA-N 0 0 362.425 5.756 10 0 FKAERN COc1cc(C=O)cc(Oc2ccc(C)cc2C(C)(C)C)c1OC(C)C ZINC000004227213 204128665 /nfs/dbraw/zinc/12/86/65/204128665.db2.gz BLCQDYXRUKYCSR-UHFFFAOYSA-N 0 0 356.462 5.693 10 0 FKAERN CCC(C)(C)c1ccc(Oc2cc(C=O)cc(OC)c2OC(C)C)cc1 ZINC000004227214 204128636 /nfs/dbraw/zinc/12/86/36/204128636.db2.gz RFTDHAOPQGJNMK-UHFFFAOYSA-N 0 0 356.462 5.775 10 0 FKAERN COc1cc(C=O)cc(Oc2c(C)cccc2C(C)(C)C)c1OC(C)C ZINC000004227215 207008185 /nfs/dbraw/zinc/00/81/85/207008185.db2.gz CRJXTXRXUVCSGI-UHFFFAOYSA-N 0 0 356.462 5.693 10 0 FKAERN COc1ccc(Oc2cc(C=O)cc(OC)c2OC(C)C)c(C(C)(C)C)c1 ZINC000004227216 207007733 /nfs/dbraw/zinc/00/77/33/207007733.db2.gz PMNBYDIKZHFOPQ-UHFFFAOYSA-N 0 0 372.461 5.393 10 0 FKAERN COc1cc(C=O)cc(Oc2ccc(-c3ccccc3)cc2)c1OC(C)C ZINC000004227220 219556326 /nfs/dbraw/zinc/55/63/26/219556326.db2.gz RBUQFCABFGJRQH-UHFFFAOYSA-N 0 0 362.425 5.754 10 0 FKAERN COc1cc(C=O)cc(Oc2ccccc2-c2ccccc2)c1OC(C)C ZINC000004227223 204128690 /nfs/dbraw/zinc/12/86/90/204128690.db2.gz LFYNYUPHZUTMHV-UHFFFAOYSA-N 0 0 362.425 5.754 10 0 FKAERN CCCCOc1c(OC)cc(C=O)cc1Oc1ccc(C)cc1C(C)(C)C ZINC000004227250 204128580 /nfs/dbraw/zinc/12/85/80/204128580.db2.gz GTVFMUBYAJIUTH-UHFFFAOYSA-N 0 0 370.489 6.085 10 0 FKAERN CCCCOc1c(OC)cc(C=O)cc1Oc1ccc2ccccc2c1 ZINC000004227263 207008565 /nfs/dbraw/zinc/00/85/65/207008565.db2.gz APJBGLGMEQMNHZ-UHFFFAOYSA-N 0 0 350.414 5.632 10 0 FKAERN CCCCCOc1c(OC)cc(C=O)cc1Oc1c(C)ccc(C)c1C ZINC000004227281 207008553 /nfs/dbraw/zinc/00/85/53/207008553.db2.gz OLVXFEQALAKDAC-UHFFFAOYSA-N 0 0 356.462 5.794 10 0 FKAERN CCCCCOc1c(OC)cc(C=O)cc1Oc1ccc(CCC)cc1 ZINC000004227282 207007451 /nfs/dbraw/zinc/00/74/51/207007451.db2.gz XSJGAWATLUUHET-UHFFFAOYSA-N 0 0 356.462 5.822 10 0 FKAERN CCCCCOc1c(OC)cc(C=O)cc1Oc1ccc(C(C)C)c(C)c1 ZINC000004227283 207008134 /nfs/dbraw/zinc/00/81/34/207008134.db2.gz YETXDRVZJIRJCB-UHFFFAOYSA-N 0 0 370.489 6.301 10 0 FKAERN CCCCCOc1c(OC)cc(C=O)cc1Oc1ccc2ccccc2c1 ZINC000004227300 204129069 /nfs/dbraw/zinc/12/90/69/204129069.db2.gz OGGXREUPMAAQLF-UHFFFAOYSA-N 0 0 364.441 6.022 10 0 FKAERN CCCCCCOc1c(OC)cc(C=O)cc1Oc1c(C)cccc1C ZINC000004227307 207008329 /nfs/dbraw/zinc/00/83/29/207008329.db2.gz JUVFPMRNOBKQTC-UHFFFAOYSA-N 0 0 356.462 5.876 10 0 FKAERN CCCCCCOc1c(OC)cc(C=O)cc1Oc1cccc(C)c1C ZINC000004227309 219556176 /nfs/dbraw/zinc/55/61/76/219556176.db2.gz QCTWWPNWQZGCFX-UHFFFAOYSA-N 0 0 356.462 5.876 10 0 FKAERN CCCCCCOc1c(OC)cc(C=O)cc1Oc1ccc(C)cc1C ZINC000004227311 207008641 /nfs/dbraw/zinc/00/86/41/207008641.db2.gz VCIDWRHLPNMLJK-UHFFFAOYSA-N 0 0 356.462 5.876 10 0 FKAERN CCCCCCOc1c(OC)cc(C=O)cc1Oc1cc(C)cc(C)c1C ZINC000004227316 207007593 /nfs/dbraw/zinc/00/75/93/207007593.db2.gz IEXPTOSCHHOKPN-UHFFFAOYSA-N 0 0 370.489 6.184 10 0 FKAERN CCCCCCOc1c(OC)cc(C=O)cc1Oc1c(C)ccc(C)c1C ZINC000004227318 204128909 /nfs/dbraw/zinc/12/89/09/204128909.db2.gz XJMNEJOJZWUDCS-UHFFFAOYSA-N 0 0 370.489 6.184 10 0 FKAERN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)s1 ZINC000004247108 207008986 /nfs/dbraw/zinc/00/89/86/207008986.db2.gz CEUFEHKZDWLDDE-UHFFFAOYSA-N 0 0 351.052 5.070 10 0 FKAERN Clc1ccc(C2=Nc3ccccc3N[C@H](C(Cl)(Cl)Cl)C2)cc1 ZINC000004277050 204130403 /nfs/dbraw/zinc/13/04/03/204130403.db2.gz SNHMOUTVZLFRSB-HNNXBMFYSA-N 0 0 374.098 6.015 10 0 FKAERN Clc1ccc(C2=Nc3ccccc3N[C@@H](C(Cl)(Cl)Cl)C2)cc1 ZINC000004277051 207011618 /nfs/dbraw/zinc/01/16/18/207011618.db2.gz SNHMOUTVZLFRSB-OAHLLOKOSA-N 0 0 374.098 6.015 10 0 FKAERN CC(C)[C@H]1CC[C@H](C)C[C@H]1N(Cc1ccccc1)C(=O)C1CCCCC1 ZINC000004285634 207011652 /nfs/dbraw/zinc/01/16/52/207011652.db2.gz VSVORUIMESBOHI-WWPVKYPJSA-N 0 0 355.566 6.056 10 0 FKAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1N(Cc1ccccc1)C(=O)C1CCCCC1 ZINC000004285638 207010334 /nfs/dbraw/zinc/01/03/34/207010334.db2.gz VSVORUIMESBOHI-WTIAFYNJSA-N 0 0 355.566 6.056 10 0 FKAERN CCO[P@@](=O)(NC(C)C)SCc1c(Cl)sc2ccccc21 ZINC000004287808 204130856 /nfs/dbraw/zinc/13/08/56/204130856.db2.gz PSFQIWLQWOFLJE-IBGZPJMESA-N 0 0 363.872 5.931 10 0 FKAERN CCN[P@](=O)(OC)SCc1c(Cl)sc2ccc(Cl)cc21 ZINC000004287821 207010219 /nfs/dbraw/zinc/01/02/19/207010219.db2.gz MOLGPVLMEDQUSV-SFHVURJKSA-N 0 0 370.263 5.805 10 0 FKAERN CC(C)Cc1ccc([C@H](C)c2nnc(-c3ccccc3C(F)(F)F)o2)cc1 ZINC000004289192 207010416 /nfs/dbraw/zinc/01/04/16/207010416.db2.gz GDOGNOLENLRXAB-AWEZNQCLSA-N 0 0 374.406 6.106 10 0 FKAERN Cc1ccc([C@H]2CN=N[C@]23C(=O)c2ccccc2O[C@H]3c2ccccc2)cc1 ZINC000004343411 570586056 /nfs/dbraw/zinc/58/60/56/570586056.db2.gz NAICJOWMLQHUQW-QDSKXPNFSA-N 0 0 368.436 5.300 10 0 FKAERN Cc1ccc([C@H]2CN=N[C@@]23C(=O)c2ccccc2O[C@H]3c2ccccc2)cc1 ZINC000004343415 570586212 /nfs/dbraw/zinc/58/62/12/570586212.db2.gz NAICJOWMLQHUQW-FGCOXFRFSA-N 0 0 368.436 5.300 10 0 FKAERN CC(C)[C@H]1CC[C@H](C)C[C@H]1N(Cc1ccccc1)C(=O)c1cccs1 ZINC000004343799 204133723 /nfs/dbraw/zinc/13/37/23/204133723.db2.gz TVMPTDDDIVIKTA-DFQSSKMNSA-N 0 0 355.547 5.851 10 0 FKAERN CC(C)[C@@H]1CC[C@H](C)C[C@H]1N(Cc1ccccc1)C(=O)c1cccs1 ZINC000004343801 207014780 /nfs/dbraw/zinc/01/47/80/207014780.db2.gz TVMPTDDDIVIKTA-YSIASYRMSA-N 0 0 355.547 5.851 10 0 FKAERN Cc1ccc(C)c(CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 ZINC000004358792 204135869 /nfs/dbraw/zinc/13/58/69/204135869.db2.gz VVJKKLCZYKVUBJ-UHFFFAOYSA-N 0 0 372.497 5.238 10 0 FKAERN CCOCc1c(C)sc(C)c1Cc1c(C)sc(C)c1COCC ZINC000004375897 207017644 /nfs/dbraw/zinc/01/76/44/207017644.db2.gz VUXCVCCXNZISTQ-UHFFFAOYSA-N 0 0 352.565 5.707 10 0 FKAERN CSCCn1c(C)c(C(=O)Nc2ccccc2)cc1-c1ccccc1 ZINC000004390734 263332818 /nfs/dbraw/zinc/33/28/18/263332818.db2.gz CJKCWWJJFJOSRD-UHFFFAOYSA-N 0 0 350.487 5.079 10 0 FKAERN CSCCn1c(C)c(C(=O)Nc2ccc(C)cc2)cc1-c1ccccc1 ZINC000004390789 207018365 /nfs/dbraw/zinc/01/83/65/207018365.db2.gz GCZVKVLGLNFUKS-UHFFFAOYSA-N 0 0 364.514 5.387 10 0 FKAERN CSCCn1c(C)c(C(=O)Nc2ccccc2C)cc1-c1ccccc1 ZINC000004390790 207017919 /nfs/dbraw/zinc/01/79/19/207017919.db2.gz SIZGWNUDZBGEDK-UHFFFAOYSA-N 0 0 364.514 5.387 10 0 FKAERN CC(C)(C)c1cc(C(=O)Nc2ccccc2Cl)n(Cc2ccccc2)n1 ZINC000004394505 219573719 /nfs/dbraw/zinc/57/37/19/219573719.db2.gz VEJQNBCGWRHVQM-UHFFFAOYSA-N 0 0 367.880 5.135 10 0 FKAERN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O[C@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000004416486 560198383 /nfs/dbraw/zinc/19/83/83/560198383.db2.gz OEECLXWCHUIMAU-OPKHLUCYSA-N 0 0 374.565 5.222 10 0 in-vitro FKAERN Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)Nc1cc(Cl)ccc1C ZINC000004470895 219576177 /nfs/dbraw/zinc/57/61/77/219576177.db2.gz FUYMYVDKOVYCNU-QXMHVHEDSA-N 0 0 365.864 5.103 10 0 FKAERN Clc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(Cl)cc2)cc1 ZINC000004532232 204144665 /nfs/dbraw/zinc/14/46/65/204144665.db2.gz DIKKIVQSCNWMBR-OAQYLSRUSA-N 0 0 367.279 6.349 10 0 FKAERN CCc1ccc(-c2cn3nc(-c4ccc(OC)cc4)n4c3c2CCCC4)cc1 ZINC000004602807 204150609 /nfs/dbraw/zinc/15/06/09/204150609.db2.gz UCIJBKMWWQCASA-UHFFFAOYSA-N 0 0 371.484 5.377 10 0 FKAERN CC[C@@H]1CSC(N(CC(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)=N1 ZINC000004614677 207033042 /nfs/dbraw/zinc/03/30/42/207033042.db2.gz KDCFLOWZJFVGLQ-QGZVFWFLSA-N 0 0 372.921 5.219 10 0 FKAERN CC[C@H]1CSC(N(CC(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)=N1 ZINC000004614688 207032289 /nfs/dbraw/zinc/03/22/89/207032289.db2.gz KDCFLOWZJFVGLQ-KRWDZBQOSA-N 0 0 372.921 5.219 10 0 FKAERN Cc1cccc(C)c1Nc1c([C@@H](C)c2ccccc2)nc2cccc(C)n21 ZINC000004630013 207034404 /nfs/dbraw/zinc/03/44/04/207034404.db2.gz LGYUIMKVUSSYSF-IBGZPJMESA-N 0 0 355.485 6.155 10 0 FKAERN Cc1cccc(C)c1Nc1c([C@H](C)c2ccccc2)nc2cccc(C)n21 ZINC000004630014 207033660 /nfs/dbraw/zinc/03/36/60/207033660.db2.gz LGYUIMKVUSSYSF-LJQANCHMSA-N 0 0 355.485 6.155 10 0 FKAERN CCCCCCc1ccc(C(=O)N2CCS[C@@H]2c2cccnc2)cc1 ZINC000004630075 204152204 /nfs/dbraw/zinc/15/22/04/204152204.db2.gz LPEMNMOBIIJYRS-OAQYLSRUSA-N 0 0 354.519 5.092 10 0 FKAERN CCCCCCc1ccc(C(=O)N2CCS[C@H]2c2cccnc2)cc1 ZINC000004630076 571134317 /nfs/dbraw/zinc/13/43/17/571134317.db2.gz LPEMNMOBIIJYRS-NRFANRHFSA-N 0 0 354.519 5.092 10 0 FKAERN CCCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 ZINC000004644271 204151844 /nfs/dbraw/zinc/15/18/44/204151844.db2.gz UHZZQDJALGZFEY-UHFFFAOYSA-N 0 0 371.440 5.271 10 0 FKAERN CC(C)OC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000004662042 570599353 /nfs/dbraw/zinc/59/93/53/570599353.db2.gz RWYOWVIEMKIPDV-UHFFFAOYSA-N 0 0 370.246 5.230 10 0 FKAERN CCOc1ccccc1Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000004663501 207036134 /nfs/dbraw/zinc/03/61/34/207036134.db2.gz MMVYXOBDENVHDC-UHFFFAOYSA-N 0 0 365.285 6.259 10 0 FKAERN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1cc3ccccc3nc12 ZINC000004707502 560199750 /nfs/dbraw/zinc/19/97/50/560199750.db2.gz FBJRIAWDMVBAAE-RACKXPAOSA-N 0 0 373.540 5.572 10 0 in-vitro FKAERN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004721051 560199711 /nfs/dbraw/zinc/19/97/11/560199711.db2.gz WEZNLBQEKWESKA-XSLNCIIRSA-N 0 0 372.637 6.999 10 0 in-vitro FKAERN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000004721053 560199735 /nfs/dbraw/zinc/19/97/35/560199735.db2.gz YPDLLJYJSWXQMO-QIIFCYCGSA-N 0 0 372.637 7.287 10 0 in-vitro FKAERN Cc1cc(C)n2c(nc(-c3ccc(Cl)cc3)c2Nc2ccccc2C)n1 ZINC000004734089 204159343 /nfs/dbraw/zinc/15/93/43/204159343.db2.gz QJLUSEJZPMMNAL-UHFFFAOYSA-N 0 0 362.864 5.719 10 0 FKAERN C[C@@]12C=CC[C@H]1[C@@H]1CCc3cc(OC(=O)c4ccccc4)ccc3[C@H]1CC2 ZINC000004744195 560199965 /nfs/dbraw/zinc/19/99/65/560199965.db2.gz KHAIFVOAJPIDQL-AHCIIZGASA-N 0 0 358.481 5.928 10 0 in-vitro FKAERN CCOc1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)cc1 ZINC000004755264 571231966 /nfs/dbraw/zinc/23/19/66/571231966.db2.gz MZYNBHUYUONWIX-UHFFFAOYSA-N 0 0 369.896 5.798 10 0 FKAERN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)c2cccc3ccccc32)o1 ZINC000004780728 207047956 /nfs/dbraw/zinc/04/79/56/207047956.db2.gz ITUZFZNQCFLODQ-UHFFFAOYSA-N 0 0 373.427 5.723 10 0 FKAERN Cc1cccc2c(C)cc(SCC(=O)Nc3ccc(C(C)C)cc3)nc12 ZINC000004801521 207049905 /nfs/dbraw/zinc/04/99/05/207049905.db2.gz CPIXPMMEFSJWBJ-UHFFFAOYSA-N 0 0 364.514 5.706 10 0 FKAERN Cc1ccc(NC(=O)CSc2cc(C)c3cccc(C)c3n2)c(C)c1 ZINC000004801551 204164749 /nfs/dbraw/zinc/16/47/49/204164749.db2.gz HZPXSENWUDQJQX-UHFFFAOYSA-N 0 0 350.487 5.199 10 0 FKAERN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5[C@@H](C[C@]4(C)[C@H]3CC[C@]12C)C5(F)F ZINC000004804638 219607675 /nfs/dbraw/zinc/60/76/75/219607675.db2.gz BRZLCOPFROJRBE-WMFBMNODSA-N 0 0 366.492 5.452 10 0 in-vitro FKAERN CCOC1=CC2=CC[C@H]3[C@@H]4CC[C@H](OC(=O)CC)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000004804990 560200010 /nfs/dbraw/zinc/20/00/10/560200010.db2.gz NULCEDVSYYAIBD-CGRIZKAYSA-N 0 0 372.549 5.801 10 0 in-vitro FKAERN Cc1ccc(NC(=O)c2cc3occc3n2Cc2ccc(F)cc2)cc1C ZINC000004874068 219618400 /nfs/dbraw/zinc/61/84/00/219618400.db2.gz LRLGQCJAPXTLBD-UHFFFAOYSA-N 0 0 362.404 5.291 10 0 FKAERN CC(C)c1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000004881721 204171922 /nfs/dbraw/zinc/17/19/22/204171922.db2.gz VQOXPSBWFYTKSI-UHFFFAOYSA-N 0 0 372.493 6.339 10 0 FKAERN Cc1ccc2nc(Cl)c3cc(C(=O)Nc4ncccc4C)sc3c2c1 ZINC000004901378 210575591 /nfs/dbraw/zinc/57/55/91/210575591.db2.gz JUSUHIBBHBPRKK-UHFFFAOYSA-N 0 0 367.861 5.367 10 0 FKAERN COc1ccc(Cl)cc1NC(=O)c1cc2c(o1)c1ccccc1nc2C ZINC000004901813 570556858 /nfs/dbraw/zinc/55/68/58/570556858.db2.gz GNRUTLCYAWHKRW-UHFFFAOYSA-N 0 0 366.804 5.204 10 0 FKAERN Clc1ccc2nc3c(c(Nc4n[nH]cc4-c4ccccc4)c2c1)CCC3 ZINC000004905593 570557752 /nfs/dbraw/zinc/55/77/52/570557752.db2.gz UDBGBLIOIICMCB-UHFFFAOYSA-N 0 0 360.848 5.511 10 0 FKAERN CCn1cc(CN(C(=O)Nc2ccc(Cl)cc2)C(C)C)c2ccccc21 ZINC000004913200 207061733 /nfs/dbraw/zinc/06/17/33/207061733.db2.gz IMOWNJGOCUYPKE-UHFFFAOYSA-N 0 0 369.896 5.757 10 0 FKAERN Cc1ccc(CSc2nc3ccncc3n2Cc2ccc(C)cc2)cc1 ZINC000004913750 570558601 /nfs/dbraw/zinc/55/86/01/570558601.db2.gz HRAJKGJYJCEZBY-UHFFFAOYSA-N 0 0 359.498 5.389 10 0 FKAERN CCC1=Nc2cc(C(=O)N3CCCCC3)ccc2Sc2ccc(C)cc21 ZINC000004930201 204177030 /nfs/dbraw/zinc/17/70/30/204177030.db2.gz VRFQGCDFBNKWAP-UHFFFAOYSA-N 0 0 364.514 5.617 10 0 FKAERN COc1ccc([C@H]2c3ccsc3CCN2C(=O)CCC2CCCC2)cc1 ZINC000004931288 207063555 /nfs/dbraw/zinc/06/35/55/207063555.db2.gz AEHMUYQSOGMPJZ-QFIPXVFZSA-N 0 0 369.530 5.201 10 0 FKAERN O=C1c2ccccc2[C@H](Nc2ccc(F)cc2F)N1c1ccc(Cl)cc1 ZINC000004961336 204181114 /nfs/dbraw/zinc/18/11/14/204181114.db2.gz RQQYUPBGHIPYRZ-LJQANCHMSA-N 0 0 370.786 5.389 10 0 FKAERN O=C1c2ccccc2[C@@H](Nc2ccc(F)cc2F)N1c1ccc(Cl)cc1 ZINC000004961338 207067050 /nfs/dbraw/zinc/06/70/50/207067050.db2.gz RQQYUPBGHIPYRZ-IBGZPJMESA-N 0 0 370.786 5.389 10 0 FKAERN CCOc1ccc(NC(=O)N(Cc2c[nH]c3ccccc23)C(C)C)cc1 ZINC000004990647 219634928 /nfs/dbraw/zinc/63/49/28/219634928.db2.gz PGWJUZYMPSLNFR-UHFFFAOYSA-N 0 0 351.450 5.009 10 0 FKAERN c1ccc(C2=NNC(c3ccccc3)(c3ccccc3)c3ccccc32)cc1 ZINC000004991527 210228867 /nfs/dbraw/zinc/22/88/67/210228867.db2.gz LKHSBDRKSODKIS-UHFFFAOYSA-N 0 0 360.460 5.334 10 0 FKAERN Cc1ccc(Cl)cc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000005034780 570577851 /nfs/dbraw/zinc/57/78/51/570577851.db2.gz UFYIFDHLBBFTOI-UHFFFAOYSA-N 0 0 362.816 5.709 10 0 FKAERN CCOc1ccccc1NC(=O)c1ccc2c(c1)nc1c(c2Cl)CCC1 ZINC000005034976 207074601 /nfs/dbraw/zinc/07/46/01/207074601.db2.gz MBBFDWQSSZKYDT-UHFFFAOYSA-N 0 0 366.848 5.028 10 0 FKAERN O=C(CN1c2ccccc2S[C@H](c2ccccc2)CC1=O)c1ccccc1 ZINC000005053232 570619600 /nfs/dbraw/zinc/61/96/00/570619600.db2.gz WZKPXGDESKVFJV-QFIPXVFZSA-N 0 0 373.477 5.140 10 0 FKAERN O=C(CN1c2ccccc2S[C@@H](c2ccccc2)CC1=O)c1ccccc1 ZINC000005053236 207076546 /nfs/dbraw/zinc/07/65/46/207076546.db2.gz WZKPXGDESKVFJV-JOCHJYFZSA-N 0 0 373.477 5.140 10 0 FKAERN CCCCCC[C@@H](Cn1ccnc1)OCc1ccc(Cl)cc1Cl ZINC000005114632 204193192 /nfs/dbraw/zinc/19/31/92/204193192.db2.gz HFYRTTCDKMDINH-KRWDZBQOSA-N 0 0 355.309 5.746 10 0 FKAERN Brc1ccc2oc([C@@H](c3ccccc3)n3ccnc3)cc2c1 ZINC000005117400 210229726 /nfs/dbraw/zinc/22/97/26/210229726.db2.gz NHZMMYPUEMYBRW-GOSISDBHSA-N 0 0 353.219 5.030 10 0 FKAERN CCC/C=C1\C=C(c2ccccc2)OC(c2ccccc2)=C1Br ZINC000005125392 207081692 /nfs/dbraw/zinc/08/16/92/207081692.db2.gz OUCZSEAEASNQHY-VCHYOVAHSA-N 0 0 367.286 6.548 10 0 FKAERN CSc1cc(-c2ccc(F)cc2)nc(-c2cccc(C(F)(F)F)c2)c1 ZINC000005141435 219654600 /nfs/dbraw/zinc/65/46/00/219654600.db2.gz XVAUWXZQSZLDJY-UHFFFAOYSA-N 0 0 363.379 6.295 10 0 FKAERN CSc1cc(-c2ccc(F)cc2)nc(-c2ccccc2C(F)(F)F)c1 ZINC000005141442 210229260 /nfs/dbraw/zinc/22/92/60/210229260.db2.gz QXCXMWLYXCBSHY-UHFFFAOYSA-N 0 0 363.379 6.295 10 0 FKAERN CC(C)=CCC[C@@H](C)CC(n1ccc2ccccc21)n1ccc2ccccc21 ZINC000005141692 219654640 /nfs/dbraw/zinc/65/46/40/219654640.db2.gz RYWJPLGWOMDLNH-OAQYLSRUSA-N 0 0 370.540 7.416 10 0 FKAERN CC(C)n1c2c(-c3ccccc3)sc(=S)n2c2ccsc2c1=O ZINC000005146170 210603389 /nfs/dbraw/zinc/60/33/89/210603389.db2.gz AHNCAKAWZFFARQ-UHFFFAOYSA-N 0 0 358.513 5.355 10 0 FKAERN COc1c2ccoc2c(OC/C=C(\C)CCC=C(C)C)c2oc(=O)ccc12 ZINC000005158590 291089243 /nfs/dbraw/zinc/08/92/43/291089243.db2.gz CTPXXQMJFXTTQZ-XNTDXEJSSA-N 0 0 368.429 5.619 10 0 biogenic,in-vitro FKAERN COc1cc2c(cc1OC)C(=O)C(c1ccc(O)c(CC=C(C)C)c1)O2 ZINC000005159013 219657116 /nfs/dbraw/zinc/65/71/16/219657116.db2.gz KRWXHCWICDLYOY-UHFFFAOYSA-N 0 0 354.402 5.037 10 0 biogenic,in-vitro FKAERN O[C@](c1ccccc1)(c1cccnc1)C(c1ccccc1)c1ccccc1 ZINC000005162316 210229835 /nfs/dbraw/zinc/22/98/35/210229835.db2.gz JKCVPWOCKIRQHJ-RUZDIDTESA-N 0 0 351.449 5.150 10 0 FKAERN Cc1ccc2sc(NC(=O)CSc3ccc(Cl)cc3)nc2c1C ZINC000005191640 207086079 /nfs/dbraw/zinc/08/60/79/207086079.db2.gz BMAXMVXWSXUSKX-UHFFFAOYSA-N 0 0 362.907 5.297 10 0 FKAERN CCN(CC)c1cc(C(F)(F)C(F)F)c(N=O)cc1-c1ccccc1 ZINC000005194494 570621988 /nfs/dbraw/zinc/62/19/88/570621988.db2.gz QYBSWXFQLJGJGA-UHFFFAOYSA-N 0 0 354.347 5.955 10 0 FKAERN O=C(CSc1nc2cccc3cccc([nH]1)c32)Nc1ccccc1Cl ZINC000005196635 207086398 /nfs/dbraw/zinc/08/63/98/207086398.db2.gz FUULHMICXJEEFO-UHFFFAOYSA-N 0 0 367.861 5.100 10 0 FKAERN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000005197734 207086296 /nfs/dbraw/zinc/08/62/96/207086296.db2.gz QDQHJOYUAOWYAN-UHFFFAOYSA-N 0 0 371.480 5.707 10 0 FKAERN COc1ccc(C(Cl)(c2ccc(OC)cc2)c2ccccc2Cl)cc1 ZINC000005210672 207087182 /nfs/dbraw/zinc/08/71/82/207087182.db2.gz NJYMDUYPGNTDHQ-UHFFFAOYSA-N 0 0 373.279 5.888 10 0 FKAERN CCc1ccc(CCC(=O)Nc2ccc(Cc3ccccc3Cl)s2)o1 ZINC000005235367 207088989 /nfs/dbraw/zinc/08/89/89/207088989.db2.gz HLEGQVCLWIGSJT-UHFFFAOYSA-N 0 0 373.905 5.719 10 0 FKAERN O=C(Cn1c2ccccc2nc1C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000005238536 204198394 /nfs/dbraw/zinc/19/83/94/204198394.db2.gz GOMXUGSDQSBEEO-UHFFFAOYSA-N 0 0 373.161 5.245 10 0 FKAERN CCCCCCOC(=O)c1cc(C(=O)OCCCCCC)c(C)nc1C ZINC000005244729 207089027 /nfs/dbraw/zinc/08/90/27/207089027.db2.gz QHZYMICOEGIZJG-UHFFFAOYSA-N 0 0 363.498 5.173 10 0 FKAERN O=C1CCCCCCCCCC[C@H]1C1(O)CCCCCCCCCCC1 ZINC000005282845 204201268 /nfs/dbraw/zinc/20/12/68/204201268.db2.gz SVMXXGSMXCSLOZ-JOCHJYFZSA-N 0 0 364.614 7.122 10 0 FKAERN O=C1CCCCCCCCCC[C@@H]1C1(O)CCCCCCCCCCC1 ZINC000005282846 207092101 /nfs/dbraw/zinc/09/21/01/207092101.db2.gz SVMXXGSMXCSLOZ-QFIPXVFZSA-N 0 0 364.614 7.122 10 0 FKAERN CC(=O)Nc1cccc(C2=NN(c3ccccc3)[C@H](c3ccc(F)cc3)C2)c1 ZINC000005283603 204201084 /nfs/dbraw/zinc/20/10/84/204201084.db2.gz QRGLWZMBKGYEFT-QHCPKHFHSA-N 0 0 373.431 5.140 10 0 FKAERN CC(=O)Nc1cccc(C2=NN(c3ccccc3)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000005283605 204200769 /nfs/dbraw/zinc/20/07/69/204200769.db2.gz QRGLWZMBKGYEFT-HSZRJFAPSA-N 0 0 373.431 5.140 10 0 FKAERN CC(C)(C)c1ccc(C(=O)[C@@H](c2ccccc2)n2nnc3ccccc32)cc1 ZINC000005284315 207092178 /nfs/dbraw/zinc/09/21/78/207092178.db2.gz DSSVUWASAXNSIW-JOCHJYFZSA-N 0 0 369.468 5.201 10 0 FKAERN CC(C)(C)c1ccc(C(=O)[C@H](c2ccccc2)n2nnc3ccccc32)cc1 ZINC000005284316 204201068 /nfs/dbraw/zinc/20/10/68/204201068.db2.gz DSSVUWASAXNSIW-QFIPXVFZSA-N 0 0 369.468 5.201 10 0 FKAERN COc1ccc(-c2nc(-c3cccc(Cl)c3)[nH]c2-c2ccccc2)cc1 ZINC000005285650 207091829 /nfs/dbraw/zinc/09/18/29/207091829.db2.gz DIPQPULPQGGXFW-UHFFFAOYSA-N 0 0 360.844 6.073 10 0 FKAERN CCCCCNC(=O)[C@@H](CCCCC)CCCC[C@@H](CC)CCCC ZINC000005297938 570623559 /nfs/dbraw/zinc/62/35/59/570623559.db2.gz MBBHEKUWDACEGY-VXKWHMMOSA-N 0 0 353.635 7.266 10 0 FKAERN CCCCCNC(=O)[C@@H](CCCCC)CCCC[C@H](CC)CCCC ZINC000005297948 570623605 /nfs/dbraw/zinc/62/36/05/570623605.db2.gz MBBHEKUWDACEGY-YADHBBJMSA-N 0 0 353.635 7.266 10 0 FKAERN CCCCCNC(=O)[C@H](CCCCC)CCCC[C@@H](CC)CCCC ZINC000005297985 207093536 /nfs/dbraw/zinc/09/35/36/207093536.db2.gz MBBHEKUWDACEGY-FCHUYYIVSA-N 0 0 353.635 7.266 10 0 FKAERN CCCCCNC(=O)[C@H](CCCCC)CCCC[C@H](CC)CCCC ZINC000005297994 207093307 /nfs/dbraw/zinc/09/33/07/207093307.db2.gz MBBHEKUWDACEGY-FGZHOGPDSA-N 0 0 353.635 7.266 10 0 FKAERN CCCC[C@H](c1cc2ccccc2n1CCCC)n1nnc2ccccc21 ZINC000005310065 204201817 /nfs/dbraw/zinc/20/18/17/204201817.db2.gz PKRLZQLNDKPMMX-JOCHJYFZSA-N 0 0 360.505 5.966 10 0 FKAERN CCCC[C@](C)(c1nc(-c2ccccc2)cs1)n1nnc2ccccc21 ZINC000005310192 207093372 /nfs/dbraw/zinc/09/33/72/207093372.db2.gz DZWGYQDCDGDWHH-OAQYLSRUSA-N 0 0 362.502 5.509 10 0 FKAERN CCCCn1c([C@@H](Cc2ccccc2)c2ccccc2)cc2ccccc21 ZINC000005310467 207093159 /nfs/dbraw/zinc/09/31/59/207093159.db2.gz RMERXSCSYQCXDS-DEOSSOPVSA-N 0 0 353.509 6.816 10 0 FKAERN CCCCn1c([C@H](Cc2ccccc2)c2ccccc2)cc2ccccc21 ZINC000005310471 207093605 /nfs/dbraw/zinc/09/36/05/207093605.db2.gz RMERXSCSYQCXDS-XMMPIXPASA-N 0 0 353.509 6.816 10 0 FKAERN C=Cc1nc(-c2ccccc2Cl)c(-c2ccc(N(CC)CC)cc2)o1 ZINC000005316453 210228342 /nfs/dbraw/zinc/22/83/42/210228342.db2.gz JJQOKUCYWIGCIN-UHFFFAOYSA-N 0 0 352.865 6.151 10 0 FKAERN CCn1nnc2c1ccc1c(-c3ccccc3)nc(-c3ccccc3)c(C)c21 ZINC000005328029 207094319 /nfs/dbraw/zinc/09/43/19/207094319.db2.gz HWKAZOKERXDNER-UHFFFAOYSA-N 0 0 364.452 5.642 10 0 FKAERN CN(C)c1ccc([C@@H](c2ccccc2)c2ccc3ccccc3c2O)cc1 ZINC000005328643 207094578 /nfs/dbraw/zinc/09/45/78/207094578.db2.gz ZNJPFZHODDOUIP-XMMPIXPASA-N 0 0 353.465 5.792 10 0 FKAERN CN(C)c1ccc([C@H](c2ccccc2)c2ccc3ccccc3c2O)cc1 ZINC000005328716 207094685 /nfs/dbraw/zinc/09/46/85/207094685.db2.gz ZNJPFZHODDOUIP-DEOSSOPVSA-N 0 0 353.465 5.792 10 0 FKAERN COCCn1c(C)c(C)c2c1cc(-c1ccccc1)cc2-c1ccccc1 ZINC000005330521 207093868 /nfs/dbraw/zinc/09/38/68/207093868.db2.gz PBZHFLDWJYGFNK-UHFFFAOYSA-N 0 0 355.481 6.239 10 0 FKAERN Cc1cc([C@@H](c2ccccc2)c2ccc(N(C)C)cc2)c2ccccc2c1O ZINC000005330567 207093880 /nfs/dbraw/zinc/09/38/80/207093880.db2.gz ASQPILWWJJIZGE-VWLOTQADSA-N 0 0 367.492 6.100 10 0 FKAERN Cc1ccc([C@H](O)c2cccnc2Sc2nc3ccccc3s2)cc1 ZINC000005330872 207094536 /nfs/dbraw/zinc/09/45/36/207094536.db2.gz MZZZFRJYMUCUKZ-SFHVURJKSA-N 0 0 364.495 5.233 10 0 FKAERN Cc1ccc(-c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c(=S)c2)cc1 ZINC000005330920 210228496 /nfs/dbraw/zinc/22/84/96/210228496.db2.gz WNSMQZDVNXEPTN-UHFFFAOYSA-N 0 0 367.517 7.158 10 0 FKAERN Cc1ccc(-n2c(-c3ccccc3)cc(-c3ccccc3)cc2=S)cc1 ZINC000005330940 210228534 /nfs/dbraw/zinc/22/85/34/210228534.db2.gz OLMKTLZZJNUDJA-UHFFFAOYSA-N 0 0 353.490 6.849 10 0 FKAERN Cc1ccc(-n2c(=S)cc(-c3ccccc3)cc2-c2ccccc2)nc1 ZINC000005330972 210228654 /nfs/dbraw/zinc/22/86/54/210228654.db2.gz BIEOQYHPJHWUAF-UHFFFAOYSA-N 0 0 354.478 6.244 10 0 FKAERN S=c1sc2ccccc2n1CNc1ccccc1Br ZINC000005331515 204203092 /nfs/dbraw/zinc/20/30/92/204203092.db2.gz YFBYLFFBTJZDDV-UHFFFAOYSA-N 0 0 351.294 5.264 10 0 FKAERN c1ccc(C2=CC(c3ccccc3)=C3CCCC=C3N2c2ccccc2)cc1 ZINC000005331631 132377588 /nfs/dbraw/zinc/37/75/88/132377588.db2.gz WZPIABBSXKKSRC-UHFFFAOYSA-N 0 0 361.488 7.069 10 0 FKAERN O=C1[C@H]2C[C@@H](c3ccccc3)[C@H](C[C@@H]2Nc2ccccc2)N1c1ccccc1 ZINC000005331947 132828107 /nfs/dbraw/zinc/82/81/07/132828107.db2.gz IYCUZLABWRCXKP-ZJZGAYNASA-N 0 0 368.480 5.076 10 0 FKAERN c1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2cccc4cccc-3c24)cc1 ZINC000005332093 204203120 /nfs/dbraw/zinc/20/31/20/204203120.db2.gz DAWIQOSZRDNGJA-UHFFFAOYSA-N 0 0 355.440 7.216 10 0 FKAERN c1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2[nH]c4ccccc4c2CC3)cc1 ZINC000005332094 204203309 /nfs/dbraw/zinc/20/33/09/204203309.db2.gz SBDOOTYCDRKCGQ-UHFFFAOYSA-N 0 0 372.471 6.663 10 0 FKAERN S=c1c2ccccc2nc(-c2cccc3ccccc32)n1-c1ccccc1 ZINC000005332115 204203787 /nfs/dbraw/zinc/20/37/87/204203787.db2.gz MYXGBSNYYFRARP-UHFFFAOYSA-N 0 0 364.473 6.575 10 0 FKAERN O=C(COc1ccc(Cl)cc1)Nc1ccc(Nc2ccccc2)cc1 ZINC000005338448 204203498 /nfs/dbraw/zinc/20/34/98/204203498.db2.gz UEJRAVHWBCVOSV-UHFFFAOYSA-N 0 0 352.821 5.101 10 0 FKAERN COc1ccc([C@H](Sc2ccccc2)c2ccccc2)c2ccccc12 ZINC000005358406 207095337 /nfs/dbraw/zinc/09/53/37/207095337.db2.gz JOIYHPPZPMJMLG-XMMPIXPASA-N 0 0 356.490 6.730 10 0 FKAERN COc1ccc([C@H](C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000005360493 219673627 /nfs/dbraw/zinc/67/36/27/219673627.db2.gz BUBCICHOSMYFSB-HXUWFJFHSA-N 0 0 370.370 5.729 10 0 FKAERN COc1ccc([C@@H](C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000005360616 204205195 /nfs/dbraw/zinc/20/51/95/204205195.db2.gz BUBCICHOSMYFSB-FQEVSTJZSA-N 0 0 370.370 5.729 10 0 FKAERN COc1ccc2ccccc2c1[C@@H](c1ccccc1)n1nnc2ccccc21 ZINC000005361493 207096144 /nfs/dbraw/zinc/09/61/44/207096144.db2.gz PSFGQDAWPPAWJT-XMMPIXPASA-N 0 0 365.436 5.231 10 0 FKAERN Cc1ccc(CCCCCCCCCCNC(=O)c2ccccc2)s1 ZINC000005364082 204205112 /nfs/dbraw/zinc/20/51/12/204205112.db2.gz UCDFGPIFMHDVST-UHFFFAOYSA-N 0 0 357.563 6.150 10 0 FKAERN Cc1cc(C)c([C@@H](c2ccc(Cl)cc2)n2nnc3ccccc32)c(C)c1 ZINC000005378793 210618664 /nfs/dbraw/zinc/61/86/64/210618664.db2.gz YJHSWLDZPRMHHK-JOCHJYFZSA-N 0 0 361.876 5.648 10 0 FKAERN COc1ccc([C@@H](c2c[nH]c3ccccc32)c2c(C)cc(C)cc2C)cc1 ZINC000005378797 204206701 /nfs/dbraw/zinc/20/67/01/204206701.db2.gz IGAAQTJMNKRMEE-VWLOTQADSA-N 0 0 355.481 6.282 10 0 FKAERN COc1ccc([C@H](c2c(C)cc(C)cc2C)n2nnc3ccccc32)cc1 ZINC000005378800 207097592 /nfs/dbraw/zinc/09/75/92/207097592.db2.gz CGJDMKFXVZEUKW-HSZRJFAPSA-N 0 0 357.457 5.003 10 0 FKAERN Cc1cc(C)c([C@H](c2ccc(Cl)cc2)n2nnc3ccccc32)c(C)c1 ZINC000005378812 204207087 /nfs/dbraw/zinc/20/70/87/204207087.db2.gz YJHSWLDZPRMHHK-QFIPXVFZSA-N 0 0 361.876 5.648 10 0 FKAERN COc1ccc([C@H](c2c[nH]c3ccccc32)c2c(C)cc(C)cc2C)cc1 ZINC000005378815 204207527 /nfs/dbraw/zinc/20/75/27/204207527.db2.gz IGAAQTJMNKRMEE-RUZDIDTESA-N 0 0 355.481 6.282 10 0 FKAERN CC(C)COC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000005380620 207097494 /nfs/dbraw/zinc/09/74/94/207097494.db2.gz ZLDOLWGVWVLZSD-UHFFFAOYSA-N 0 0 373.452 5.419 10 0 FKAERN C=Cn1c(Cc2ccc(-c3ccccc3)n2C=C)ccc1-c1ccccc1 ZINC000005382886 210228631 /nfs/dbraw/zinc/22/86/31/210228631.db2.gz IEJMOFKIFXVKIA-UHFFFAOYSA-N 0 0 350.465 6.415 10 0 FKAERN CC(C)Oc1ccc(C(F)(F)F)cc1NC(=O)c1cccc2ccccc21 ZINC000005384525 570625870 /nfs/dbraw/zinc/62/58/70/570625870.db2.gz DCNFZJGBAURHFF-UHFFFAOYSA-N 0 0 373.374 5.898 10 0 FKAERN C/C(C=NNC(=O)CNc1cccc(Cl)c1)=C/c1ccc(C(C)C)cc1 ZINC000005384647 570627749 /nfs/dbraw/zinc/62/77/49/570627749.db2.gz XYAZZCXNYCDUBE-LBLBQGAFSA-N 0 0 369.896 5.081 10 0 FKAERN CC[C@@H]1C[C@@H](N2CCCC2=O)c2cccc3c2N1c1ccccc1S3 ZINC000005393570 535879228 /nfs/dbraw/zinc/87/92/28/535879228.db2.gz TVWIROXOUSLNFJ-RHSMWYFYSA-N 0 0 350.487 5.135 10 0 FKAERN Cc1cccc(OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1C ZINC000005404455 207098116 /nfs/dbraw/zinc/09/81/16/207098116.db2.gz XUCWUTPFROZQNO-UHFFFAOYSA-N 0 0 358.652 5.281 10 0 FKAERN CCCCCOc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000005419123 204208828 /nfs/dbraw/zinc/20/88/28/204208828.db2.gz NPDHWBUZKQRNMD-UHFFFAOYSA-N 0 0 352.261 5.815 10 0 FKAERN Cc1cc(C(c2cc(C)c(N)cc2C)c2ccccc2Cl)c(C)cc1N ZINC000005419512 207099639 /nfs/dbraw/zinc/09/96/39/207099639.db2.gz MCZONIGXYAOYBE-UHFFFAOYSA-N 0 0 364.920 5.918 10 0 FKAERN CC(C)CCCCCCCCCCCCCCCOC(=O)C(C)(C)C ZINC000005440781 204207765 /nfs/dbraw/zinc/20/77/65/204207765.db2.gz JSOVGYMVTPPEND-UHFFFAOYSA-N 0 0 354.619 7.693 10 0 FKAERN CCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CC ZINC000005460278 207102723 /nfs/dbraw/zinc/10/27/23/207102723.db2.gz HFEFYTCEBRSONX-UHFFFAOYSA-N 0 0 356.547 5.676 10 0 FKAERN CCOc1ccc(OCC(=O)NC2CCCCCCCCCCC2)cc1 ZINC000005465847 219682540 /nfs/dbraw/zinc/68/25/40/219682540.db2.gz DMUJSVANEOIRFL-UHFFFAOYSA-N 0 0 361.526 5.254 10 0 FKAERN CCCC[C@](CCc1ccccc1)(c1ccccc1)n1nnc2ccccc21 ZINC000005467911 204210322 /nfs/dbraw/zinc/21/03/22/204210322.db2.gz FKYQFKKZVWTJKB-VWLOTQADSA-N 0 0 369.512 5.998 10 0 FKAERN COc1cc(/C=C/c2cccc3ccccc23)ccc1OC(=O)C(C)(C)C ZINC000005481371 207102493 /nfs/dbraw/zinc/10/24/93/207102493.db2.gz WSQOENKZDGDILD-WYMLVPIESA-N 0 0 360.453 5.970 10 0 FKAERN CC(C)Cc1ccc(-c2cs/c(=N\c3cccc4ccccc43)n2C)cc1 ZINC000005481798 210621765 /nfs/dbraw/zinc/62/17/65/210621765.db2.gz MSMQRXIJGRLIJV-IZHYLOQSSA-N 0 0 372.537 6.338 10 0 FKAERN S=c1sc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1 ZINC000005482910 204211262 /nfs/dbraw/zinc/21/12/62/204211262.db2.gz LXZCYGSNOINTGI-UHFFFAOYSA-N 0 0 359.519 6.661 10 0 FKAERN O=[S@](Nc1ccccc1)c1ccc(Cl)cc1Sc1ccccc1 ZINC000005484414 204210329 /nfs/dbraw/zinc/21/03/29/204210329.db2.gz KKMPVJFBKBCWII-HSZRJFAPSA-N 0 0 359.903 5.626 10 0 FKAERN O=[S@@](Nc1ccccc1)c1ccc(Cl)cc1Sc1ccccc1 ZINC000005484480 210623683 /nfs/dbraw/zinc/62/36/83/210623683.db2.gz KKMPVJFBKBCWII-QHCPKHFHSA-N 0 0 359.903 5.626 10 0 FKAERN O=C(C[C@H](c1ccccc1)[C@@H]1CCCCCCCCC1=O)c1ccccc1 ZINC000005486875 207102641 /nfs/dbraw/zinc/10/26/41/207102641.db2.gz HVVMEQLDFWKHOG-XZOQPEGZSA-N 0 0 362.513 6.363 10 0 FKAERN Clc1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)cc1Cl ZINC000005488067 570628269 /nfs/dbraw/zinc/62/82/69/570628269.db2.gz CEIHYVNSJKLBFS-NRFANRHFSA-N 0 0 367.279 6.349 10 0 FKAERN O=C(C[C@@H](c1ccccc1)[C@@H]1CCCCCCCCC1=O)c1ccccc1 ZINC000005489176 219683248 /nfs/dbraw/zinc/68/32/48/219683248.db2.gz HVVMEQLDFWKHOG-GOTSBHOMSA-N 0 0 362.513 6.363 10 0 FKAERN O=C(C[C@@H](c1ccccc1)[C@H]1CCCCCCCCC1=O)c1ccccc1 ZINC000005489202 207103015 /nfs/dbraw/zinc/10/30/15/207103015.db2.gz HVVMEQLDFWKHOG-PKTZIBPZSA-N 0 0 362.513 6.363 10 0 FKAERN Clc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cc1Cl ZINC000005489736 570628243 /nfs/dbraw/zinc/62/82/43/570628243.db2.gz CEIHYVNSJKLBFS-OAQYLSRUSA-N 0 0 367.279 6.349 10 0 FKAERN c1ccc(-c2nc(Cn3nnc4ccccc43)sc2-c2ccccc2)cc1 ZINC000005490401 204211462 /nfs/dbraw/zinc/21/14/62/204211462.db2.gz COMXGGJSOOCPIB-UHFFFAOYSA-N 0 0 368.465 5.270 10 0 FKAERN O=C(CCc1[nH]c(-c2ccccc2)cc1-c1ccccc1)c1ccccc1 ZINC000005490653 206801100 /nfs/dbraw/zinc/80/11/00/206801100.db2.gz YRXSTSPNHTWAIM-UHFFFAOYSA-N 0 0 351.449 6.164 10 0 FKAERN CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)N[C@@H](C)CO ZINC000005510369 204212157 /nfs/dbraw/zinc/21/21/57/204212157.db2.gz SQKRUBZPTNJQEM-VTHBLYDKSA-N 0 0 361.570 5.629 10 0 FKAERN O=C(Nc1ccc(Oc2ccc(Cl)cc2Cl)nc1)c1ccccc1 ZINC000005510718 219685662 /nfs/dbraw/zinc/68/56/62/219685662.db2.gz PHVVQRMCNXYHKZ-UHFFFAOYSA-N 0 0 359.212 5.433 10 0 FKAERN CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](O)C[C@H]21 ZINC000005511539 219685959 /nfs/dbraw/zinc/68/59/59/219685959.db2.gz UEKGZFCGRQYMRM-CEXWTWQISA-N 0 0 374.565 6.056 10 0 in-man FKAERN CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](O)C[C@@H]21 ZINC000005511542 204212459 /nfs/dbraw/zinc/21/24/59/204212459.db2.gz UEKGZFCGRQYMRM-GUDVDZBRSA-N 0 0 374.565 6.056 10 0 in-man FKAERN CCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC ZINC000005511795 219685475 /nfs/dbraw/zinc/68/54/75/219685475.db2.gz GQIDSVPVVYHXAP-UHFFFAOYSA-N 0 0 370.574 6.354 10 0 FKAERN CCCC[C@@H](CC)C(=O)OCC(C)(C)COC(=O)[C@H](CC)CCCC ZINC000005514652 204211883 /nfs/dbraw/zinc/21/18/83/204211883.db2.gz GORMSINSWZJIKL-QZTJIDSGSA-N 0 0 356.547 5.532 10 0 FKAERN O=Cc1ccc(N2C[C@H](c3ccccc3)C(/C=C/c3ccccc3)=N2)cc1 ZINC000005515209 570629011 /nfs/dbraw/zinc/62/90/11/570629011.db2.gz VSRHHARPFYOQAH-HRNYAPDYSA-N 0 0 352.437 5.172 10 0 FKAERN O=Cc1ccc(N2C[C@@H](c3ccccc3)C(/C=C/c3ccccc3)=N2)cc1 ZINC000005515210 570628957 /nfs/dbraw/zinc/62/89/57/570628957.db2.gz VSRHHARPFYOQAH-IGVGMEOHSA-N 0 0 352.437 5.172 10 0 FKAERN Clc1ccc(C(c2ccc(Cl)cc2)n2nc3ccccc3n2)cc1 ZINC000005519704 207104163 /nfs/dbraw/zinc/10/41/63/207104163.db2.gz OKLKESBUFPBWFM-UHFFFAOYSA-N 0 0 354.240 5.376 10 0 FKAERN CC(C)c1ccc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000005522934 210625649 /nfs/dbraw/zinc/62/56/49/210625649.db2.gz IQJJRSFATGCYKH-UHFFFAOYSA-N 0 0 353.506 6.074 10 0 FKAERN C(=C(c1nc2ccccc2s1)c1nc2ccccc2s1)c1ccncc1 ZINC000005523353 210151912 /nfs/dbraw/zinc/15/19/12/210151912.db2.gz OLVWRFNZQOOYPI-UHFFFAOYSA-N 0 0 371.490 5.890 10 0 FKAERN CCCCC(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 ZINC000005524752 207104167 /nfs/dbraw/zinc/10/41/67/207104167.db2.gz OOZJILFBITUSBL-UHFFFAOYSA-N 0 0 353.285 5.010 10 0 FKAERN CCCCCCOc1ccc(/C=C/C(=O)N(C(C)C)C(C)C)cc1OC ZINC000005525156 207103321 /nfs/dbraw/zinc/10/33/21/207103321.db2.gz QOBSIDPHNSTNIL-WYMLVPIESA-N 0 0 361.526 5.313 10 0 FKAERN O=C(Nc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1)c1ccccc1 ZINC000005531581 207104260 /nfs/dbraw/zinc/10/42/60/207104260.db2.gz OHULMGFTCOBNEB-UHFFFAOYSA-N 0 0 363.420 5.635 10 0 FKAERN COc1ccc(-c2nc(C(c3ccccc3)c3ccccc3)sc2C)cc1 ZINC000005533216 570629930 /nfs/dbraw/zinc/62/99/30/570629930.db2.gz KBUPELWNXRXIMJ-UHFFFAOYSA-N 0 0 371.505 6.307 10 0 FKAERN Cc1cc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)cc(C)c1Cl ZINC000005535186 207104971 /nfs/dbraw/zinc/10/49/71/207104971.db2.gz ONKGHKWXBNPEAF-GQCTYLIASA-N 0 0 355.648 5.882 10 0 FKAERN Cc1cc(C)c(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)c(C)c1 ZINC000005538385 204213809 /nfs/dbraw/zinc/21/38/09/204213809.db2.gz PUNSAZCJYSQNJO-UHFFFAOYSA-N 0 0 365.473 5.354 10 0 FKAERN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000005541028 207105540 /nfs/dbraw/zinc/10/55/40/207105540.db2.gz QOEGAISCFCVXOY-NSHDSACASA-N 0 0 357.759 5.073 10 0 FKAERN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000005541106 207104786 /nfs/dbraw/zinc/10/47/86/207104786.db2.gz QOEGAISCFCVXOY-LLVKDONJSA-N 0 0 357.759 5.073 10 0 FKAERN Cc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(C(C)(C)C)c1 ZINC000005542183 219687711 /nfs/dbraw/zinc/68/77/11/219687711.db2.gz YKONLZAIHYCPRK-UHFFFAOYSA-N 0 0 365.395 5.329 10 0 FKAERN Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000005542803 207104771 /nfs/dbraw/zinc/10/47/71/207104771.db2.gz QLVLXWFLESTMCC-UHFFFAOYSA-N 0 0 365.395 5.329 10 0 FKAERN Clc1ccccc1Cn1c2ccccc2nc1-c1ccccc1Cl ZINC000005545666 210229890 /nfs/dbraw/zinc/22/98/90/210229890.db2.gz DTPNNAHLVMHKGI-UHFFFAOYSA-N 0 0 353.252 6.058 10 0 FKAERN O=C1c2cccc3c(NC4CCCCC4)ccc(c32)C(=O)N1c1ccccc1 ZINC000005553409 132304461 /nfs/dbraw/zinc/30/44/61/132304461.db2.gz QFQJXUZSOYPIED-UHFFFAOYSA-N 0 0 370.452 5.385 10 0 FKAERN O=C(NC1CCCCCCCCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000005567703 207106712 /nfs/dbraw/zinc/10/67/12/207106712.db2.gz UMWUEJJXPCDKCC-UHFFFAOYSA-N 0 0 356.337 6.397 10 0 FKAERN Cc1cccc2c(C)cc(SCC(=O)Nc3ccccc3Cl)nc12 ZINC000005582690 204217553 /nfs/dbraw/zinc/21/75/53/204217553.db2.gz UNASVUASWOOIJZ-UHFFFAOYSA-N 0 0 356.878 5.236 10 0 FKAERN Cc1cc(C)c(NC(=O)CSc2cc(C)c3cccc(C)c3n2)c(C)c1 ZINC000005582823 204216965 /nfs/dbraw/zinc/21/69/65/204216965.db2.gz YHLONGDATJQHHB-UHFFFAOYSA-N 0 0 364.514 5.508 10 0 FKAERN O=C(NC1CCCCCCCCCCC1)c1ccccc1Br ZINC000005583646 204217001 /nfs/dbraw/zinc/21/70/01/204217001.db2.gz OLRXDBMJLQIZRC-UHFFFAOYSA-N 0 0 366.343 5.852 10 0 FKAERN CC(=O)c1sc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1C ZINC000005587363 207107485 /nfs/dbraw/zinc/10/74/85/207107485.db2.gz QBBTXPNNJZGPER-UHFFFAOYSA-N 0 0 368.302 5.435 10 0 FKAERN CCCc1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000005597707 570679779 /nfs/dbraw/zinc/67/97/79/570679779.db2.gz GCOLTQRONGFSHD-UHFFFAOYSA-N 0 0 371.786 5.329 10 0 FKAERN Cc1ccc(-c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000005617949 204218491 /nfs/dbraw/zinc/21/84/91/204218491.db2.gz KQQDWFXHLGVZKX-UHFFFAOYSA-N 0 0 350.487 5.668 10 0 FKAERN Cc1ccc2nc(NC(=O)/C=C/c3c(Cl)cccc3Cl)sc2c1 ZINC000005619213 204218308 /nfs/dbraw/zinc/21/83/08/204218308.db2.gz BXEHCBAWUBOUFH-SOFGYWHQSA-N 0 0 363.269 5.563 10 0 FKAERN Cc1ccc(-c2nc(-c3ccc(Cl)cc3)[nH]c2-c2ccccc2)cc1C ZINC000005634889 207109952 /nfs/dbraw/zinc/10/99/52/207109952.db2.gz UJFFPSVTOJVSAW-UHFFFAOYSA-N 0 0 358.872 6.681 10 0 FKAERN CCOc1ccc(/C=C/C(=O)NC2CCCCCCCCCCC2)cc1 ZINC000005652107 207110141 /nfs/dbraw/zinc/11/01/41/207110141.db2.gz HXVCJSOIPRLNPU-KNTRCKAVSA-N 0 0 357.538 5.888 10 0 FKAERN CCOc1ccc(-c2csc(NC(=O)c3c(C)cc(C)cc3C)n2)cc1 ZINC000005653689 204219641 /nfs/dbraw/zinc/21/96/41/204219641.db2.gz GVSOLIZVQCVLFS-UHFFFAOYSA-N 0 0 366.486 5.386 10 0 FKAERN O=C1S[C@@H](c2ccc(Cl)cc2Cl)CN1c1ccc(Cl)cc1 ZINC000005674380 207111792 /nfs/dbraw/zinc/11/17/92/207111792.db2.gz KGJGWDGGNJEMJG-CQSZACIVSA-N 0 0 358.677 6.061 10 0 FKAERN O=C1S[C@H](c2ccc(Cl)cc2Cl)CN1c1ccc(Cl)cc1 ZINC000005674405 570633139 /nfs/dbraw/zinc/63/31/39/570633139.db2.gz KGJGWDGGNJEMJG-AWEZNQCLSA-N 0 0 358.677 6.061 10 0 FKAERN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000005681717 207112804 /nfs/dbraw/zinc/11/28/04/207112804.db2.gz QFLYOKCSLNBAPT-UHFFFAOYSA-N 0 0 370.235 5.477 10 0 FKAERN O=C(Cc1ccccc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000005682311 207111832 /nfs/dbraw/zinc/11/18/32/207111832.db2.gz TYYICTGLNBJEHI-UHFFFAOYSA-N 0 0 363.269 5.298 10 0 FKAERN CC(=O)Nc1cccc(Nc2nc(-c3cccs3)nc3ccccc32)c1 ZINC000005689438 204221085 /nfs/dbraw/zinc/22/10/85/204221085.db2.gz CMIZQGPTGPSAMK-UHFFFAOYSA-N 0 0 360.442 5.060 10 0 FKAERN CCCOc1ccc(/C=C/C(=O)NC2CCCCCCCCCCC2)cc1 ZINC000005708162 207113044 /nfs/dbraw/zinc/11/30/44/207113044.db2.gz MQKJQZLWDDOEAS-KNTRCKAVSA-N 0 0 371.565 6.278 10 0 FKAERN CCCOc1ccc(/C=C/C(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000005708178 207113050 /nfs/dbraw/zinc/11/30/50/207113050.db2.gz HSGRJEDRKQCNPB-YRNVUSSQSA-N 0 0 352.459 5.045 10 0 FKAERN CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1cccc(Cl)c1 ZINC000005711096 219696124 /nfs/dbraw/zinc/69/61/24/219696124.db2.gz SOZBNGGSMZJPQQ-UHFFFAOYSA-N 0 0 361.228 5.462 10 0 FKAERN CCCCCCNC(=O)/C=C/c1ccc(OCCCCCC)c(OC)c1 ZINC000005711757 210637256 /nfs/dbraw/zinc/63/72/56/210637256.db2.gz CKWJLBPZWPVOAF-FYWRMAATSA-N 0 0 361.526 5.364 10 0 FKAERN CCCCc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 ZINC000005713679 204222658 /nfs/dbraw/zinc/22/26/58/204222658.db2.gz MSCCJATVXMQWMH-UHFFFAOYSA-N 0 0 356.680 6.242 10 0 FKAERN CCCc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000005714779 210084314 /nfs/dbraw/zinc/08/43/14/210084314.db2.gz JWZCBRNNDGHJRJ-UHFFFAOYSA-N 0 0 371.786 5.329 10 0 FKAERN O=C(CCCSCc1ccc(Br)cc1)c1cccs1 ZINC000005716341 570633831 /nfs/dbraw/zinc/63/38/31/570633831.db2.gz MLQRHTBNRZQRIK-UHFFFAOYSA-N 0 0 355.322 5.407 10 0 FKAERN CC(C)=CCC[C@H](C)CCOC(=O)CCC(=O)Nc1ccc(Cl)cc1 ZINC000005721648 570633838 /nfs/dbraw/zinc/63/38/38/570633838.db2.gz KGCXFVWQNTWCNV-INIZCTEOSA-N 0 0 365.901 5.375 10 0 FKAERN C[C@@H]1CCCCN1Cn1nc(-c2ccc(Cl)cc2Cl)oc1=S ZINC000005722011 207113442 /nfs/dbraw/zinc/11/34/42/207113442.db2.gz WLQRGTTZHRVVPD-SNVBAGLBSA-N 0 0 358.294 5.011 10 0 FKAERN CC(C)=CCC[C@@H](C)CCOC(=O)CCC(=O)Nc1ccc(Cl)cc1 ZINC000005722951 219696813 /nfs/dbraw/zinc/69/68/13/219696813.db2.gz KGCXFVWQNTWCNV-MRXNPFEDSA-N 0 0 365.901 5.375 10 0 FKAERN C[C@H]1CCCCN1Cn1nc(-c2ccc(Cl)cc2Cl)oc1=S ZINC000005723345 204221821 /nfs/dbraw/zinc/22/18/21/204221821.db2.gz WLQRGTTZHRVVPD-JTQLQIEISA-N 0 0 358.294 5.011 10 0 FKAERN Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1ccc(Cl)cc1C ZINC000005724943 204221685 /nfs/dbraw/zinc/22/16/85/204221685.db2.gz OAGDNMOXFMHTDK-UHFFFAOYSA-N 0 0 362.212 5.484 10 0 FKAERN CC(C)(C)c1ccc(OCC(=O)NC2CCCCCCCCCCC2)cc1 ZINC000005726761 210638549 /nfs/dbraw/zinc/63/85/49/210638549.db2.gz LKDPDYOGJGRZDP-UHFFFAOYSA-N 0 0 373.581 6.152 10 0 FKAERN O=C(Oc1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1 ZINC000005738461 207114417 /nfs/dbraw/zinc/11/44/17/207114417.db2.gz SLMJGPFWUXBDKR-UHFFFAOYSA-N 0 0 353.215 5.335 10 0 FKAERN Cc1ccc(CCN(Cc2ccccc2)C(=S)Nc2ccccc2)cc1 ZINC000005740304 204223769 /nfs/dbraw/zinc/22/37/69/204223769.db2.gz VAMOPUWBBKSSRP-UHFFFAOYSA-N 0 0 360.526 5.437 10 0 FKAERN O=C(Nc1ccc(Cl)c(Cl)c1)c1c(Cl)ccc(Cl)c1Cl ZINC000005749556 204222851 /nfs/dbraw/zinc/22/28/51/204222851.db2.gz GYOWRWIYWYPNTC-UHFFFAOYSA-N 0 0 369.462 6.206 10 0 FKAERN Cc1ccc(OCC(=O)Nc2c(C)cc(C)cc2Cl)c(C(C)(C)C)c1 ZINC000005750357 207115198 /nfs/dbraw/zinc/11/51/98/207115198.db2.gz XWTLYIZCVRBDJS-UHFFFAOYSA-N 0 0 359.897 5.580 10 0 FKAERN Cc1ccc2nc(NC(=O)COc3cc(C)ccc3C(C)C)sc2c1 ZINC000005750589 209444842 /nfs/dbraw/zinc/44/48/42/209444842.db2.gz HKPILPXINFFEAP-UHFFFAOYSA-N 0 0 354.475 5.054 10 0 FKAERN Cc1ccc(C)c(OCC(=O)NC2CCCCCCCCCCC2)c1C ZINC000005750622 204223434 /nfs/dbraw/zinc/22/34/34/204223434.db2.gz QPHHIOLJFZIFBF-UHFFFAOYSA-N 0 0 359.554 5.780 10 0 FKAERN Cc1sc(NC(=O)COc2c(C)cccc2C)nc1-c1ccc(C)cc1 ZINC000005753156 204224969 /nfs/dbraw/zinc/22/49/69/204224969.db2.gz RQPDGORTACIJIP-UHFFFAOYSA-N 0 0 366.486 5.061 10 0 FKAERN Cc1ccc(-c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 ZINC000005753388 204224070 /nfs/dbraw/zinc/22/40/70/204224070.db2.gz AAXWLQAFRLLMOZ-UHFFFAOYSA-N 0 0 359.469 5.605 10 0 FKAERN Cc1ccc(-c2ccc(OCC(=O)Nc3c(C)cccc3C(C)C)cc2)cc1 ZINC000005753390 219698155 /nfs/dbraw/zinc/69/81/55/219698155.db2.gz AQIDZYGGVXMDHJ-UHFFFAOYSA-N 0 0 373.496 6.111 10 0 FKAERN Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000005753401 210640266 /nfs/dbraw/zinc/64/02/66/210640266.db2.gz RJOYNNKXJBIJGV-UHFFFAOYSA-N 0 0 365.860 5.641 10 0 FKAERN Cc1ccc(-c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000005753429 204224732 /nfs/dbraw/zinc/22/47/32/204224732.db2.gz VEDGHAPNGKQWTN-UHFFFAOYSA-N 0 0 351.833 5.333 10 0 FKAERN Cc1cccc(C(C)C)c1NC(=O)c1c(Cl)ccc(Cl)c1Cl ZINC000005756056 210640263 /nfs/dbraw/zinc/64/02/63/210640263.db2.gz NMJXLJYYTXKIGQ-UHFFFAOYSA-N 0 0 356.680 6.331 10 0 FKAERN COc1ccc([C@@H]2c3cccc(C)c3S[C@H](c3ccccc3)[C@@H]2C)cc1 ZINC000005756087 204224152 /nfs/dbraw/zinc/22/41/52/204224152.db2.gz NIUPVGBRCLYUPM-BSDZUQITSA-N 0 0 360.522 6.619 10 0 FKAERN COc1ccc([C@@H]2c3cccc(C)c3S[C@@H](c3ccccc3)[C@@H]2C)cc1 ZINC000005756091 204224402 /nfs/dbraw/zinc/22/44/02/204224402.db2.gz NIUPVGBRCLYUPM-CUHUQNRHSA-N 0 0 360.522 6.619 10 0 FKAERN COc1ccc([C@@H]2c3cccc(C)c3S[C@@H](c3ccccc3)[C@H]2C)cc1 ZINC000005756092 204224637 /nfs/dbraw/zinc/22/46/37/204224637.db2.gz NIUPVGBRCLYUPM-VXWZWFMZSA-N 0 0 360.522 6.619 10 0 FKAERN O=C(NC1CCCCCCCCCCC1)c1cccc(Br)c1 ZINC000005756876 207116063 /nfs/dbraw/zinc/11/60/63/207116063.db2.gz WFURUWYOPJJQQA-UHFFFAOYSA-N 0 0 366.343 5.852 10 0 FKAERN Fc1ccc(-c2csc3ncnc(Nc4cccc(Cl)c4)c23)cc1 ZINC000005756992 204224567 /nfs/dbraw/zinc/22/45/67/204224567.db2.gz BTNUFZAYBPDKML-UHFFFAOYSA-N 0 0 355.825 5.894 10 0 FKAERN CC(C)CCCCCOC(=O)CCCC(=O)OCCCCCC(C)C ZINC000005758426 204224042 /nfs/dbraw/zinc/22/40/42/204224042.db2.gz SFNLXSGWZBPIIX-UHFFFAOYSA-N 0 0 356.547 5.676 10 0 FKAERN CC(C)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000005761619 210640222 /nfs/dbraw/zinc/64/02/22/210640222.db2.gz JUHFQCKQQLMGAB-UHFFFAOYSA-N 0 0 368.369 6.455 10 0 FKAERN O=C(CCCCCCCC(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000005769741 207115962 /nfs/dbraw/zinc/11/59/62/207115962.db2.gz QPPSOKXMZWBYKS-UHFFFAOYSA-N 0 0 374.431 5.273 10 0 FKAERN O=C(Nc1ccccc1F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000005775762 570635661 /nfs/dbraw/zinc/63/56/61/570635661.db2.gz BOHBWYNFKGHVRN-UHFFFAOYSA-N 0 0 374.440 5.869 10 0 FKAERN O=C(Nc1ccc(C(F)(F)F)cc1)c1c2ccccc2nc2c1CCCC2 ZINC000005776759 219699474 /nfs/dbraw/zinc/69/94/74/219699474.db2.gz IRADPBCODKSWAJ-UHFFFAOYSA-N 0 0 370.374 5.385 10 0 FKAERN O=C(Cc1cccc2ccccc21)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000005777512 207116448 /nfs/dbraw/zinc/11/64/48/207116448.db2.gz WZEFRVZPZMHPBO-UHFFFAOYSA-N 0 0 363.766 5.693 10 0 FKAERN Cc1cccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)c1C ZINC000005780568 210084327 /nfs/dbraw/zinc/08/43/27/210084327.db2.gz BIRYKZPSBFICAV-UHFFFAOYSA-N 0 0 362.907 5.297 10 0 FKAERN COC(=O)c1ccc(/C=C/c2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 ZINC000005782155 210231507 /nfs/dbraw/zinc/23/15/07/210231507.db2.gz QQKFUTGTZXPBGA-SNAWJCMRSA-N 0 0 369.420 5.760 10 0 FKAERN Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)cc2)cc1 ZINC000005814815 204226034 /nfs/dbraw/zinc/22/60/34/204226034.db2.gz JFIAYDGXIRRMMM-UHFFFAOYSA-N 0 0 365.860 5.641 10 0 FKAERN Cc1ccc2nc(NC(=O)COc3ccc(C(C)C)c(C)c3)sc2c1 ZINC000005815182 207117047 /nfs/dbraw/zinc/11/70/47/207117047.db2.gz FUUXBWKDIMKQBE-UHFFFAOYSA-N 0 0 354.475 5.054 10 0 FKAERN CCCCCCOc1ccc(C(=O)Oc2ccc(C[C@@H](C)CC)cc2)cc1 ZINC000005820371 210642464 /nfs/dbraw/zinc/64/24/64/210642464.db2.gz GRCRRVLEAGHZGB-IBGZPJMESA-N 0 0 368.517 6.454 10 0 FKAERN CCCC[C@@H](CC)C(=O)NCCCCCCNC(=O)[C@H](CC)CCCC ZINC000005821718 204226723 /nfs/dbraw/zinc/22/67/23/204226723.db2.gz XZVMGPSLFYINSC-WOJBJXKFSA-N 0 0 368.606 5.212 10 0 FKAERN CCCC[C@@H](CCCC[C@@H](CCc1cccc(O)c1)C(C)(C)C)C(C)(C)C ZINC000005821875 207118024 /nfs/dbraw/zinc/11/80/24/207118024.db2.gz KGXLFVVHLZMIDM-GOTSBHOMSA-N 0 0 374.653 8.400 10 0 FKAERN CCCC[C@@H](CCCC[C@H](CCc1cccc(O)c1)C(C)(C)C)C(C)(C)C ZINC000005821877 204227220 /nfs/dbraw/zinc/22/72/20/204227220.db2.gz KGXLFVVHLZMIDM-XZOQPEGZSA-N 0 0 374.653 8.400 10 0 FKAERN CCCC[C@H](CC)C(=O)NCCCCCCNC(=O)[C@@H](CC)CCCC ZINC000005822033 219700944 /nfs/dbraw/zinc/70/09/44/219700944.db2.gz XZVMGPSLFYINSC-PMACEKPBSA-N 0 0 368.606 5.212 10 0 FKAERN CCCC[C@H](CC)COC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000005822101 204226855 /nfs/dbraw/zinc/22/68/55/204226855.db2.gz HHWWAFPHDKZSKB-AWEZNQCLSA-N 0 0 361.309 5.912 10 0 FKAERN CCCC[C@H](CCCC[C@H](CCc1cccc(O)c1)C(C)(C)C)C(C)(C)C ZINC000005822193 207117887 /nfs/dbraw/zinc/11/78/87/207117887.db2.gz KGXLFVVHLZMIDM-DHIUTWEWSA-N 0 0 374.653 8.400 10 0 FKAERN CC(C)=CCC/C(C)=C\CC/C(C)=C\COc1ccc2ccc(=O)oc2c1 ZINC000005824803 207117811 /nfs/dbraw/zinc/11/78/11/207117811.db2.gz GNMUGVNEWCZUAA-JGFVCGRDSA-N 0 0 366.501 6.591 10 0 biogenic,in-vitro FKAERN CC(C)(C)c1ccc(SC[C@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000005840822 570637103 /nfs/dbraw/zinc/63/71/03/570637103.db2.gz GDHQQAMATLGNTL-GOSISDBHSA-N 0 0 364.938 5.307 10 0 FKAERN CC(C)(C)c1ccc(SC[C@@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000005840844 207118600 /nfs/dbraw/zinc/11/86/00/207118600.db2.gz GDHQQAMATLGNTL-SFHVURJKSA-N 0 0 364.938 5.307 10 0 FKAERN CCCc1ccc(OC(=O)c2ccc(C3CCC(CCC)CC3)cc2)cc1 ZINC000005844655 204227286 /nfs/dbraw/zinc/22/72/86/204227286.db2.gz TVAPGSSMRUFIFN-UHFFFAOYSA-N 0 0 364.529 6.932 10 0 FKAERN COc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1Cl ZINC000005849162 207119473 /nfs/dbraw/zinc/11/94/73/207119473.db2.gz XAZFPSPGSJHHNS-UHFFFAOYSA-N 0 0 367.832 5.033 10 0 FKAERN CC(C)c1ccc(/C=C\C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000005862376 204228732 /nfs/dbraw/zinc/22/87/32/204228732.db2.gz ZUIJEAPULNDKJA-SDXDJHTJSA-N 0 0 355.481 5.729 10 0 FKAERN O=C(Oc1ccc(-c2ccccc2)cc1Br)c1cccc(F)c1 ZINC000005874691 210646226 /nfs/dbraw/zinc/64/62/26/210646226.db2.gz QFMUARQGRYBZSN-UHFFFAOYSA-N 0 0 371.205 5.474 10 0 FKAERN Cc1ccc(C)c(C(=O)COC(=O)c2sc3ccccc3c2Cl)c1 ZINC000005884380 204228967 /nfs/dbraw/zinc/22/89/67/204228967.db2.gz RWLJVTVYVCTRQG-UHFFFAOYSA-N 0 0 358.846 5.211 10 0 FKAERN CC(C)=CCN1Cc2cccc3nc(Sc4ccccc4)n(c32)C[C@H]1C ZINC000005890376 207121364 /nfs/dbraw/zinc/12/13/64/207121364.db2.gz ZBJVYFQKNIPWPO-QGZVFWFLSA-N 0 0 363.530 5.358 10 0 FKAERN CC(C)=CCN1Cc2cccc3nc(Sc4ccccc4)n(c32)C[C@@H]1C ZINC000005890738 207122172 /nfs/dbraw/zinc/12/21/72/207122172.db2.gz ZBJVYFQKNIPWPO-KRWDZBQOSA-N 0 0 363.530 5.358 10 0 FKAERN Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(Cl)ccc12 ZINC000005891700 581094150 /nfs/dbraw/zinc/09/41/50/581094150.db2.gz IBKVKGUXDNYYIR-UHFFFAOYSA-N 0 0 355.869 5.067 10 0 FKAERN C/C(=C\c1nsc(Nc2ccccc2)n1)NCCc1ccc(Cl)cc1 ZINC000005909411 207122562 /nfs/dbraw/zinc/12/25/62/207122562.db2.gz MAUIWRZUCNXYMI-BUHFOSPRSA-N 0 0 370.909 5.128 10 0 FKAERN Fc1cccc(F)c1Cn1c2ccccc2nc1-c1c(F)cccc1F ZINC000005940165 207123285 /nfs/dbraw/zinc/12/32/85/207123285.db2.gz MDIRLWZOKMHIJZ-UHFFFAOYSA-N 0 0 356.322 5.308 10 0 FKAERN Cc1ccc(-c2cc(C(=O)Oc3ccc(F)cc3)c3ccccc3n2)cc1 ZINC000005942511 207124243 /nfs/dbraw/zinc/12/42/43/207124243.db2.gz XXVNEDOHFBTLQT-UHFFFAOYSA-N 0 0 357.384 5.569 10 0 FKAERN Cc1ccc(C)c(-c2cc(C(=O)N3CCCCC3)c3cc(C)ccc3n2)c1 ZINC000005942825 204232129 /nfs/dbraw/zinc/23/21/29/204232129.db2.gz TZANSAQBCLSCEM-UHFFFAOYSA-N 0 0 358.485 5.453 10 0 FKAERN Cc1cc(Br)ccc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000005960384 204231766 /nfs/dbraw/zinc/23/17/66/204231766.db2.gz MPYZQBUTZANZGS-IZZDOVSWSA-N 0 0 358.279 5.533 10 0 FKAERN CCc1cccc(CC)c1NC(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000005961957 210084187 /nfs/dbraw/zinc/08/41/87/210084187.db2.gz MGCQYWNPOGORCE-NKFKGCMQSA-N 0 0 355.481 5.991 10 0 FKAERN Clc1ccc(-c2c[nH]cc2[C@H](c2ccc(Cl)cc2)n2ccnc2)cc1 ZINC000005974193 204232205 /nfs/dbraw/zinc/23/22/05/204232205.db2.gz DBDGQVVQYMKPAS-FQEVSTJZSA-N 0 0 368.267 5.823 10 0 FKAERN Fc1ccc([C@H](c2c[nH]cc2-c2ccccc2Cl)n2ccnc2)cc1 ZINC000005974400 210232085 /nfs/dbraw/zinc/23/20/85/210232085.db2.gz WFTCMOKXIZPGMX-HXUWFJFHSA-N 0 0 351.812 5.308 10 0 FKAERN Clc1ccc(-c2c[nH]cc2[C@H](c2ccccc2)n2ccnc2)c(Cl)c1 ZINC000005974672 204232285 /nfs/dbraw/zinc/23/22/85/204232285.db2.gz YVZNNBJVUUZYEA-FQEVSTJZSA-N 0 0 368.267 5.823 10 0 FKAERN Clc1ccc(-c2c[nH]cc2[C@@H](c2ccccc2)n2ccnc2)c(Cl)c1 ZINC000005974695 207125393 /nfs/dbraw/zinc/12/53/93/207125393.db2.gz YVZNNBJVUUZYEA-HXUWFJFHSA-N 0 0 368.267 5.823 10 0 FKAERN COC(=O)c1ccc(/C=C/c2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000005997518 207125098 /nfs/dbraw/zinc/12/50/98/207125098.db2.gz PQENDJMQROQKKU-VOTSOKGWSA-N 0 0 355.393 5.452 10 0 FKAERN COc1ccc(/C=C\C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000006008768 204233880 /nfs/dbraw/zinc/23/38/80/204233880.db2.gz BJQPEGQHHZBREU-VKAVYKQESA-N 0 0 371.480 5.047 10 0 FKAERN COc1ccc(/C=C\C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000006008784 219708919 /nfs/dbraw/zinc/70/89/19/219708919.db2.gz ABIVGZXDERDSNW-DAXSKMNVSA-N 0 0 356.636 5.307 10 0 FKAERN CS(=O)(=O)c1cc(Cl)cc(-c2ccc(Cl)cc2Cl)c1Cl ZINC000006019571 204234736 /nfs/dbraw/zinc/23/47/36/204234736.db2.gz ZNXQPIPGYODIDR-UHFFFAOYSA-N 0 0 370.084 5.371 10 0 FKAERN CC(C)(C)Cc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 ZINC000006022813 204235283 /nfs/dbraw/zinc/23/52/83/204235283.db2.gz JNMZGRFHQIXWTC-UHFFFAOYSA-N 0 0 365.911 5.247 10 0 FKAERN Cc1ccc(Cn2c(=S)cc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000006070885 210231837 /nfs/dbraw/zinc/23/18/37/210231837.db2.gz CAZZBXCHQQDBGO-UHFFFAOYSA-N 0 0 367.517 6.908 10 0 FKAERN Cc1ccc2oc(/C=C/c3ccc(-c4nc5ccccc5o4)cc3)nc2c1 ZINC000006071409 206802131 /nfs/dbraw/zinc/80/21/31/206802131.db2.gz KKDLKBVEHOJWKX-UKTHLTGXSA-N 0 0 352.393 6.115 10 0 FKAERN Cc1ccc2oc(-c3ccc(/C=C/c4nc5ccccc5o4)cc3)nc2c1 ZINC000006071414 207127701 /nfs/dbraw/zinc/12/77/01/207127701.db2.gz DVYLUICLRMFHRU-UKTHLTGXSA-N 0 0 352.393 6.115 10 0 FKAERN Cc1ccc2c(c1)snc2NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000006071427 206801967 /nfs/dbraw/zinc/80/19/67/206801967.db2.gz YTRVLECHAZHYMO-UHFFFAOYSA-N 0 0 352.246 5.556 10 0 FKAERN CCCOc1ccc(/C=C\C(=O)Nc2ccc(C(C)C)cc2)cc1OC ZINC000006073402 204236332 /nfs/dbraw/zinc/23/63/32/204236332.db2.gz RNGALUCKCNMBMK-QPEQYQDCSA-N 0 0 353.462 5.259 10 0 FKAERN COc1ccc(/C=C\C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000006090508 207129422 /nfs/dbraw/zinc/12/94/22/207129422.db2.gz NVOKWOSVTABEAA-WCIBSUBMSA-N 0 0 370.861 5.124 10 0 FKAERN Clc1cc2c(cc1Cl)Oc1cc(Br)c(Cl)cc1O2 ZINC000006091478 204237033 /nfs/dbraw/zinc/23/70/33/204237033.db2.gz MEDUBLZGNFZMKG-UHFFFAOYSA-N 0 0 366.425 6.307 10 0 FKAERN O[C@](c1ccc(Cl)cc1)(c1ccccc1Cl)C(Cl)(Cl)Cl ZINC000006095471 219713713 /nfs/dbraw/zinc/71/37/13/219713713.db2.gz LUXSISXJGNCOKN-CYBMUJFWSA-N 0 0 370.490 5.600 10 0 in-vitro FKAERN Oc1ccc(/C(=C(/Br)c2ccccc2)c2ccccc2)cc1 ZINC000006095542 207129143 /nfs/dbraw/zinc/12/91/43/207129143.db2.gz XUBABWJOIJRXNS-FMQUCBEESA-N 0 0 351.243 5.704 10 0 in-vitro FKAERN O=C(Cc1ccccc1)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000006096110 207129532 /nfs/dbraw/zinc/12/95/32/207129532.db2.gz GHEGAIKOMWURQJ-UHFFFAOYSA-N 0 0 351.243 5.542 10 0 FKAERN CCOc1ccccc1C(=O)Nc1nc(-c2ccc(CC)cc2)cs1 ZINC000006124747 210657992 /nfs/dbraw/zinc/65/79/92/210657992.db2.gz UPRIUOLNEIKREN-UHFFFAOYSA-N 0 0 352.459 5.024 10 0 FKAERN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Oc2ccccc2)cc1 ZINC000006152111 207132023 /nfs/dbraw/zinc/13/20/23/207132023.db2.gz PMSUKCHNYCGGMG-UHFFFAOYSA-N 0 0 358.224 6.038 10 0 FKAERN Cc1cc(OC(=O)c2c(Cl)ccc(Cl)c2Cl)cc(C)c1Cl ZINC000006188818 207133367 /nfs/dbraw/zinc/13/33/67/207133367.db2.gz GSDZMCBQIAGITD-UHFFFAOYSA-N 0 0 364.055 6.136 10 0 FKAERN Cc1cc(OC(=O)c2ccc(Cl)c(Cl)c2)ccc1Br ZINC000006188994 204240661 /nfs/dbraw/zinc/24/06/61/204240661.db2.gz VPPUFDAGIZLDKZ-UHFFFAOYSA-N 0 0 360.034 5.284 10 0 FKAERN Cc1cc(OC(=O)c2ccc(Cl)cc2Cl)ccc1Br ZINC000006189002 204241261 /nfs/dbraw/zinc/24/12/61/204241261.db2.gz QRKRQZYOIMRVDB-UHFFFAOYSA-N 0 0 360.034 5.284 10 0 FKAERN Cc1cc(OC(=O)c2c(Cl)ccc(Cl)c2Cl)ccc1Cl ZINC000006189029 207133582 /nfs/dbraw/zinc/13/35/82/207133582.db2.gz AGONYXWJADIHAS-UHFFFAOYSA-N 0 0 350.028 5.828 10 0 FKAERN COc1ccc(CCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 ZINC000006216349 204241212 /nfs/dbraw/zinc/24/12/12/204241212.db2.gz HNNAQDAAWMJZLW-UHFFFAOYSA-N 0 0 366.486 5.007 10 0 FKAERN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccccc1F ZINC000006216745 204241369 /nfs/dbraw/zinc/24/13/69/204241369.db2.gz JTHBHMJSMXBBHG-UHFFFAOYSA-N 0 0 352.434 5.080 10 0 FKAERN CCc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 ZINC000006216829 204240555 /nfs/dbraw/zinc/24/05/55/204240555.db2.gz WTOBVRVEVSENSQ-UHFFFAOYSA-N 0 0 362.498 5.504 10 0 FKAERN Cc1ccccc1N1C(=O)S/C(=C\c2c(Cl)cccc2Cl)C1=O ZINC000006218155 204240474 /nfs/dbraw/zinc/24/04/74/204240474.db2.gz RGAGEVHJZSWCRF-DHDCSXOGSA-N 0 0 364.253 5.543 10 0 FKAERN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccccc1 ZINC000006235556 132304437 /nfs/dbraw/zinc/30/44/37/132304437.db2.gz OQKJBCMONAKWOQ-XMSQKQJNSA-N 0 0 372.468 5.044 10 0 FKAERN COc1ccc(C)cc1NC(=S)N(Cc1ccco1)Cc1cccs1 ZINC000006255843 570644637 /nfs/dbraw/zinc/64/46/37/570644637.db2.gz NLBVNKREVCNUIE-UHFFFAOYSA-N 0 0 372.515 5.057 10 0 FKAERN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc2ccccc2o1 ZINC000006258350 207134454 /nfs/dbraw/zinc/13/44/54/207134454.db2.gz ZSNFBHPDRZRHCZ-UHFFFAOYSA-N 0 0 354.818 5.462 10 0 FKAERN Cc1cccc2sc(NC(=O)C(c3ccccc3)c3ccccc3)nc21 ZINC000006259936 207134542 /nfs/dbraw/zinc/13/45/42/207134542.db2.gz RHVVPNUUMOOSLU-UHFFFAOYSA-N 0 0 358.466 5.375 10 0 FKAERN O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(Br)cc1Cl ZINC000006260134 207135153 /nfs/dbraw/zinc/13/51/53/207135153.db2.gz QTUFKUYUZBRMSP-QPJJXVBHSA-N 0 0 371.061 5.408 10 0 FKAERN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000006272341 210085055 /nfs/dbraw/zinc/08/50/55/210085055.db2.gz VPBXHKNUPRIOTB-SNVBAGLBSA-N 0 0 358.652 5.361 10 0 FKAERN Cc1cc2sc(NC(=O)COc3ccccc3C(C)C)nc2c(C)c1 ZINC000006272815 204243900 /nfs/dbraw/zinc/24/39/00/204243900.db2.gz IVXOPYMLTQNARH-UHFFFAOYSA-N 0 0 354.475 5.054 10 0 FKAERN Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000006274778 207136331 /nfs/dbraw/zinc/13/63/31/207136331.db2.gz TZPBXZAMHJCWFC-UHFFFAOYSA-N 0 0 363.269 5.678 10 0 FKAERN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C)c(C)c3)c2)cc1C ZINC000006278150 204243696 /nfs/dbraw/zinc/24/36/96/204243696.db2.gz SJRBSUMULUEORV-UHFFFAOYSA-N 0 0 372.468 5.425 10 0 FKAERN CC(C)(C)c1ccc(Cn2c(/C=C/c3ccco3)nc3ccccc32)cc1 ZINC000006305492 219723233 /nfs/dbraw/zinc/72/32/33/219723233.db2.gz PBBDAKQAAQYVRI-CCEZHUSRSA-N 0 0 356.469 6.146 10 0 FKAERN CCc1ccc(NC(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)cc1 ZINC000006319587 204244415 /nfs/dbraw/zinc/24/44/15/204244415.db2.gz IXLOSCWWWXNPGD-UHFFFAOYSA-N 0 0 364.514 5.453 10 0 FKAERN Cc1cc(C)c2nc(SCC(=O)Nc3ccc(Cl)cc3)cc(C)c2c1 ZINC000006330186 204244118 /nfs/dbraw/zinc/24/41/18/204244118.db2.gz YHZXFXXGWSGOQU-UHFFFAOYSA-N 0 0 370.905 5.544 10 0 FKAERN Cc1cc(C)cc(NC(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)c1 ZINC000006330466 204245110 /nfs/dbraw/zinc/24/51/10/204245110.db2.gz OXOKXUINZCSATA-UHFFFAOYSA-N 0 0 364.514 5.508 10 0 FKAERN Cc1ccc(NC(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)c(C)c1 ZINC000006330810 204244736 /nfs/dbraw/zinc/24/47/36/204244736.db2.gz XEKVAJKFTCWDIJ-UHFFFAOYSA-N 0 0 364.514 5.508 10 0 FKAERN O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc(F)c1 ZINC000006331316 204244512 /nfs/dbraw/zinc/24/45/12/204244512.db2.gz FZNABEVAFLKACE-UHFFFAOYSA-N 0 0 367.232 5.508 10 0 FKAERN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc2ccccc21 ZINC000006342444 207137062 /nfs/dbraw/zinc/13/70/62/207137062.db2.gz UFITYPQGFOIZII-UHFFFAOYSA-N 0 0 364.857 5.869 10 0 FKAERN CCOc1ccc(-c2nc(NC(=O)/C=C/c3ccccc3)sc2C)cc1 ZINC000006355293 207138435 /nfs/dbraw/zinc/13/84/35/207138435.db2.gz QLDRUOACNQEVAR-NTEUORMPSA-N 0 0 364.470 5.169 10 0 FKAERN CCOc1ccc(-c2nc(NC(=O)CCc3ccccc3)sc2C)cc1 ZINC000006355301 204246092 /nfs/dbraw/zinc/24/60/92/204246092.db2.gz RGEBOXLTDWSMKZ-UHFFFAOYSA-N 0 0 366.486 5.089 10 0 FKAERN CCOc1ccc(-c2nc(NC(=O)c3ccc(C)c(C)c3)sc2C)cc1 ZINC000006355308 204246304 /nfs/dbraw/zinc/24/63/04/204246304.db2.gz JGPZWLHUFKSTQZ-UHFFFAOYSA-N 0 0 366.486 5.386 10 0 FKAERN Cc1sc(NC(=O)/C=C/c2ccc(Cl)cc2)nc1-c1ccc(F)cc1 ZINC000006375787 204246223 /nfs/dbraw/zinc/24/62/23/204246223.db2.gz JQQVFWBPIVAONE-NYYWCZLTSA-N 0 0 372.852 5.563 10 0 FKAERN Cc1sc(NC(=O)/C=C/c2ccc(F)cc2)nc1-c1ccc(F)cc1 ZINC000006375829 210087716 /nfs/dbraw/zinc/08/77/16/210087716.db2.gz MEUAVRBBRKXMSG-NYYWCZLTSA-N 0 0 356.397 5.049 10 0 FKAERN Cc1sc(NC(=O)c2cc3ccccc3o2)nc1-c1ccc(Cl)cc1 ZINC000006375857 204245862 /nfs/dbraw/zinc/24/58/62/204245862.db2.gz HHBREIHUAWQKDY-UHFFFAOYSA-N 0 0 368.845 5.770 10 0 FKAERN Clc1ccc(Cn2c(/C=C/c3ccco3)nc3ccccc32)c(Cl)c1 ZINC000006400409 204246871 /nfs/dbraw/zinc/24/68/71/204246871.db2.gz DAOVVCAJWUUCBS-MDZDMXLPSA-N 0 0 369.251 6.155 10 0 FKAERN COc1cccc(-c2csc(NC(=O)c3cccc4ccccc43)n2)c1 ZINC000006407474 207139715 /nfs/dbraw/zinc/13/97/15/207139715.db2.gz KCMNOMXULXEYOX-UHFFFAOYSA-N 0 0 360.438 5.224 10 0 FKAERN Cc1cc(OC(=O)c2sc3ccccc3c2Cl)cc(C)c1Cl ZINC000006477239 210674462 /nfs/dbraw/zinc/67/44/62/210674462.db2.gz NVTKTANZYRZVRG-UHFFFAOYSA-N 0 0 351.254 6.044 10 0 FKAERN CC(=O)Oc1c(O)ccc(O)c1C[C@]1(C)[C@@H](C)CC[C@]2(C)C(C)=CCC[C@@H]12 ZINC000006495104 204250884 /nfs/dbraw/zinc/25/08/84/204250884.db2.gz QALBXSHCQOFDPS-APQCTARYSA-N 0 0 372.505 5.364 10 0 FKAERN C[C@]1([C@H]2CC[C@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)CCC(=O)O1 ZINC000006525828 571307964 /nfs/dbraw/zinc/30/79/64/571307964.db2.gz KYUZKRJIOGSDGT-YZZBAJPVSA-N 0 0 372.549 5.022 10 0 FKAERN O=C(COc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl ZINC000006526245 210675973 /nfs/dbraw/zinc/67/59/73/210675973.db2.gz VWQLMNJXEGABQJ-UHFFFAOYSA-N 0 0 366.027 5.285 10 0 FKAERN O=C(Oc1ccc(-c2ccccc2)cc1)c1sc2ccccc2c1Cl ZINC000006535580 207145645 /nfs/dbraw/zinc/14/56/45/207145645.db2.gz GDGCSOWFCXTOEQ-UHFFFAOYSA-N 0 0 364.853 6.441 10 0 FKAERN O=C(c1ccc(Cl)cc1)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000006536343 204251592 /nfs/dbraw/zinc/25/15/92/204251592.db2.gz HUKGFXRPOYQFSQ-UHFFFAOYSA-N 0 0 371.661 6.001 10 0 FKAERN COc1ccc(-c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000006563508 207146812 /nfs/dbraw/zinc/14/68/12/207146812.db2.gz NKQCOOSOISJQGN-UHFFFAOYSA-N 0 0 370.496 6.058 10 0 FKAERN O=[S@](Cc1[nH]c2ccccc2c1Sc1ccccc1)c1ccccc1 ZINC000006581729 210230326 /nfs/dbraw/zinc/23/03/26/210230326.db2.gz WEJMICDBYIOXOH-VWLOTQADSA-N 0 0 363.507 5.627 10 0 FKAERN C[C@@H](NC(=O)c1ccccc1Br)c1ccc2ccccc2c1 ZINC000006587420 210089337 /nfs/dbraw/zinc/08/93/37/210089337.db2.gz FILXHWRKKOEVFQ-CYBMUJFWSA-N 0 0 354.247 5.093 10 0 FKAERN COc1cccc(-c2nc(-c3ccccc3O)[nH]c2-c2cccc(OC)c2)c1 ZINC000006720149 204263682 /nfs/dbraw/zinc/26/36/82/204263682.db2.gz BHJLKTKBNNWGKN-UHFFFAOYSA-N 0 0 372.424 5.134 10 0 FKAERN CC(C)c1ccc2c(c1)N=C(c1ccc(F)cc1)NC(c1cccs1)=N2 ZINC000006743743 219765101 /nfs/dbraw/zinc/76/51/01/219765101.db2.gz SINXBZOZQKBTMH-UHFFFAOYSA-N 0 0 363.461 5.961 10 0 FKAERN Cc1sc(-n2cccc2)c([C@@H](C)NC(=O)Nc2ccccc2F)c1C ZINC000006750419 207160180 /nfs/dbraw/zinc/16/01/80/207160180.db2.gz IRPXGCSZDLPVDE-CYBMUJFWSA-N 0 0 357.454 5.177 10 0 FKAERN Cc1sc(-n2cccc2)c([C@H](C)NC(=O)Nc2ccccc2F)c1C ZINC000006750420 571244916 /nfs/dbraw/zinc/24/49/16/571244916.db2.gz IRPXGCSZDLPVDE-ZDUSSCGKSA-N 0 0 357.454 5.177 10 0 FKAERN O=C(Nc1c2ccccc2oc1C(=O)c1cccs1)c1cccs1 ZINC000006752151 204266840 /nfs/dbraw/zinc/26/68/40/204266840.db2.gz ZPHCPBYZRZEMNZ-UHFFFAOYSA-N 0 0 353.424 5.039 10 0 FKAERN CCCCCC[C@]1(CCCCCCCCCCC(=O)[O-])[NH2+]C(C)(C)CO1 ZINC000006756395 207161058 /nfs/dbraw/zinc/16/10/58/207161058.db2.gz WJUCIATYSCJYAM-QFIPXVFZSA-N 0 0 369.590 6.037 10 0 in-vitro FKAERN CCCCCC[C@@]1(CCCCCCCCCCC(=O)[O-])[NH2+]C(C)(C)CO1 ZINC000006756411 207161286 /nfs/dbraw/zinc/16/12/86/207161286.db2.gz WJUCIATYSCJYAM-JOCHJYFZSA-N 0 0 369.590 6.037 10 0 in-vitro FKAERN CC(C)n1c2c(-c3ccc(F)cc3)sc(=S)n2c2ccccc2c1=O ZINC000006803201 207166268 /nfs/dbraw/zinc/16/62/68/207166268.db2.gz LBWTXIMBOUWZPX-UHFFFAOYSA-N 0 0 370.474 5.432 10 0 FKAERN O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000006829607 204274723 /nfs/dbraw/zinc/27/47/23/204274723.db2.gz GWCDNTDIRNGNQO-LJQANCHMSA-N 0 0 374.760 5.682 10 0 FKAERN CCCNC(=O)C[C@@H](c1c[nH]c2c1cccc2CC)c1ccc(Cl)cc1 ZINC000006837556 207171121 /nfs/dbraw/zinc/17/11/21/207171121.db2.gz ZXRAJKWFHCGCPI-LJQANCHMSA-N 0 0 368.908 5.432 10 0 FKAERN Fc1ccc(CSc2nc3cccnc3n2Cc2ccc(F)cc2)cc1 ZINC000006877791 219778887 /nfs/dbraw/zinc/77/88/87/219778887.db2.gz WOKVNYLITKWTNZ-UHFFFAOYSA-N 0 0 367.424 5.050 10 0 FKAERN Cc1ccc(CSc2nc3cccnc3n2Cc2cccc(C)c2)cc1 ZINC000006877808 571252319 /nfs/dbraw/zinc/25/23/19/571252319.db2.gz GYSOPUMEQHEGLB-UHFFFAOYSA-N 0 0 359.498 5.389 10 0 FKAERN O=C(Nc1ccccc1Br)[C@@H](c1ccccc1)C1CCCC1 ZINC000006890233 571253264 /nfs/dbraw/zinc/25/32/64/571253264.db2.gz OCYFKKAMEWNDKC-SFHVURJKSA-N 0 0 358.279 5.362 10 0 FKAERN O=C(Nc1ccccc1Br)[C@H](c1ccccc1)C1CCCC1 ZINC000006890247 571253345 /nfs/dbraw/zinc/25/33/45/571253345.db2.gz OCYFKKAMEWNDKC-GOSISDBHSA-N 0 0 358.279 5.362 10 0 FKAERN COc1ccccc1NC(=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000006898648 568107552 /nfs/dbraw/zinc/10/75/52/568107552.db2.gz YEZPYOWLKJOPKU-UHFFFAOYSA-N 0 0 367.832 5.180 10 0 FKAERN Cc1cc2ccccc2n1-c1ccc(C(=O)NCCC2=CCCCC2)s1 ZINC000006914124 571254406 /nfs/dbraw/zinc/25/44/06/571254406.db2.gz JVPMJYONHQZXSJ-UHFFFAOYSA-N 0 0 364.514 5.621 10 0 FKAERN Cc1cc2c(ncnc2Nc2ccc(Oc3ccc(Cl)cc3)cc2)s1 ZINC000006920155 207177297 /nfs/dbraw/zinc/17/72/97/207177297.db2.gz HCHUXMSPNGXYFM-UHFFFAOYSA-N 0 0 367.861 6.189 10 0 FKAERN FC(F)(F)c1cccc(-n2cc(-c3ccc(Cl)cc3)[nH]c2=S)c1 ZINC000006923098 570656744 /nfs/dbraw/zinc/65/67/44/570656744.db2.gz ANZZRCBEVCISOU-UHFFFAOYSA-N 0 0 354.784 5.874 10 0 FKAERN COc1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1Cl ZINC000006953647 204283476 /nfs/dbraw/zinc/28/34/76/204283476.db2.gz QKEJQUNXBCSVSU-UHFFFAOYSA-N 0 0 360.788 5.176 10 0 FKAERN COc1ccc(Cl)cc1NC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000006953726 207181852 /nfs/dbraw/zinc/18/18/52/207181852.db2.gz DXANQQYFTMKOPS-UHFFFAOYSA-N 0 0 360.788 5.176 10 0 FKAERN COc1ccc(Cl)cc1NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000006953747 219784303 /nfs/dbraw/zinc/78/43/03/219784303.db2.gz HGIVXUAHWLSBPC-UHFFFAOYSA-N 0 0 360.788 5.176 10 0 FKAERN COc1ccc(Cl)cc1NC(=S)Nc1ccccc1C(F)(F)F ZINC000006953768 204283914 /nfs/dbraw/zinc/28/39/14/204283914.db2.gz KNNSFABQGNOKSY-UHFFFAOYSA-N 0 0 360.788 5.176 10 0 FKAERN Cc1c(Cl)cccc1NC(=S)Nc1ccccc1Br ZINC000006960723 207181911 /nfs/dbraw/zinc/18/19/11/207181911.db2.gz ZKBHEXVWHFUKOH-UHFFFAOYSA-N 0 0 355.688 5.220 10 0 FKAERN Cc1ccc(NC(=S)Nc2ccc(Br)c(C)c2)cc1Cl ZINC000006966808 207181429 /nfs/dbraw/zinc/18/14/29/207181429.db2.gz GZDDNSGVMFRAJI-UHFFFAOYSA-N 0 0 369.715 5.528 10 0 FKAERN Cc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000006966815 207180847 /nfs/dbraw/zinc/18/08/47/207180847.db2.gz XDCIPVLZIMLCNX-UHFFFAOYSA-N 0 0 368.889 6.250 10 0 FKAERN Cc1ccc(NC(=S)Nc2ccc(Br)cc2C)cc1Cl ZINC000006966817 207180909 /nfs/dbraw/zinc/18/09/09/207180909.db2.gz UKARDMIMVVEEAG-UHFFFAOYSA-N 0 0 369.715 5.528 10 0 FKAERN Cc1ccc(NC(=S)Nc2ccccc2Br)cc1Cl ZINC000006966822 207181473 /nfs/dbraw/zinc/18/14/73/207181473.db2.gz QGVXURNWRDXSQK-UHFFFAOYSA-N 0 0 355.688 5.220 10 0 FKAERN FC(F)(F)c1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1 ZINC000006969741 207181305 /nfs/dbraw/zinc/18/13/05/207181305.db2.gz MJIUQIZIWJCLEP-UHFFFAOYSA-N 0 0 365.207 5.821 10 0 FKAERN FC(F)(F)c1cccc(NC(=S)Nc2cc(Cl)ccc2Cl)c1 ZINC000006970196 207180983 /nfs/dbraw/zinc/18/09/83/207180983.db2.gz SSLPGDRYKIDGIN-UHFFFAOYSA-N 0 0 365.207 5.821 10 0 FKAERN FC(F)(F)c1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000006970205 204285235 /nfs/dbraw/zinc/28/52/35/204285235.db2.gz RDKNDDVJPYZCSR-UHFFFAOYSA-N 0 0 364.314 5.533 10 0 FKAERN FC(F)(F)c1cccc(NC(=S)Nc2cccc(Cl)c2Cl)c1 ZINC000006970222 204285288 /nfs/dbraw/zinc/28/52/88/204285288.db2.gz XOAICDOKVNWZHG-UHFFFAOYSA-N 0 0 365.207 5.821 10 0 FKAERN FC(F)(F)c1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)cc1 ZINC000006970473 219785209 /nfs/dbraw/zinc/78/52/09/219785209.db2.gz OSICKEXHWBKWCT-UHFFFAOYSA-N 0 0 365.207 5.821 10 0 FKAERN FC(F)(F)c1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000006970475 204284626 /nfs/dbraw/zinc/28/46/26/204284626.db2.gz FWCDQGYZQSBIFJ-UHFFFAOYSA-N 0 0 365.207 5.821 10 0 FKAERN FC(F)(F)c1ccccc1NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000006971741 207181253 /nfs/dbraw/zinc/18/12/53/207181253.db2.gz FVRVBOCJNQRKQK-UHFFFAOYSA-N 0 0 365.207 5.821 10 0 FKAERN FC(F)(F)c1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1 ZINC000006971751 204284616 /nfs/dbraw/zinc/28/46/16/204284616.db2.gz FLSQFHXDNQDRLS-UHFFFAOYSA-N 0 0 364.314 5.533 10 0 FKAERN FC(F)(F)c1cccc(Oc2ncnc3sc(-c4ccccc4)cc32)c1 ZINC000007779853 207206171 /nfs/dbraw/zinc/20/61/71/207206171.db2.gz BZZVXPFBTLZWJR-UHFFFAOYSA-N 0 0 372.371 6.169 10 0 FKAERN COc1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)cc1Cl ZINC000008161627 207222482 /nfs/dbraw/zinc/22/24/82/207222482.db2.gz OHSJCOMJUNWFMI-UHFFFAOYSA-N 0 0 361.681 5.464 10 0 FKAERN COc1ccc(Cl)cc1NC(=S)Nc1cc(Cl)ccc1Cl ZINC000008163291 204321087 /nfs/dbraw/zinc/32/10/87/204321087.db2.gz MZLWEDVPIJGRMF-UHFFFAOYSA-N 0 0 361.681 5.464 10 0 FKAERN COc1ccc(Cl)cc1NC(=S)Nc1cccc(Cl)c1Cl ZINC000008163523 204319953 /nfs/dbraw/zinc/31/99/53/204319953.db2.gz SYKKPGRVGIOGCW-UHFFFAOYSA-N 0 0 361.681 5.464 10 0 FKAERN O=C(CSc1ccccc1)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000008187564 570678099 /nfs/dbraw/zinc/67/80/99/570678099.db2.gz SLEBRVJYDHKMNY-UHFFFAOYSA-N 0 0 360.438 5.226 10 0 FKAERN Cc1cccc(-c2nc3ccc(NC(=O)COc4ccccc4C)cc3o2)c1 ZINC000008190262 571359788 /nfs/dbraw/zinc/35/97/88/571359788.db2.gz OTMDUNULLXPBHU-UHFFFAOYSA-N 0 0 372.424 5.129 10 0 FKAERN CCc1ccc(/C(=C(\Br)c2ccccc2)c2ccccc2)cc1 ZINC000008214508 204322089 /nfs/dbraw/zinc/32/20/89/204322089.db2.gz OQCYTSHIQNPJIC-DQRAZIAOSA-N 0 0 363.298 6.561 10 0 in-man FKAERN Cc1nn(Cc2cccc3ccccc32)c(C)c1NC(=O)Nc1ccccc1 ZINC000008274992 206216288 /nfs/dbraw/zinc/21/62/88/206216288.db2.gz CWVVPFBURXCYQK-UHFFFAOYSA-N 0 0 370.456 5.345 10 0 FKAERN Cc1ccc2sc(NC(=O)C(c3ccccc3)c3ccccc3)nc2c1C ZINC000008320576 207229300 /nfs/dbraw/zinc/22/93/00/207229300.db2.gz SSVNICOPLNIKHW-UHFFFAOYSA-N 0 0 372.493 5.684 10 0 FKAERN Brc1ccc(N2CCc3ccccc3[C@H]2c2ccncc2)s1 ZINC000008436443 204331061 /nfs/dbraw/zinc/33/10/61/204331061.db2.gz VNRMUYBGYCFFKQ-GOSISDBHSA-N 0 0 371.303 5.058 10 0 FKAERN Brc1ccc(N2CCc3ccccc3[C@@H]2c2ccncc2)s1 ZINC000008436447 204331402 /nfs/dbraw/zinc/33/14/02/204331402.db2.gz VNRMUYBGYCFFKQ-SFHVURJKSA-N 0 0 371.303 5.058 10 0 FKAERN Cc1cc(O)c(C(C)C)cc1NC(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000008491125 207235477 /nfs/dbraw/zinc/23/54/77/207235477.db2.gz PTSAUBRDCFCIIQ-RMKNXTFCSA-N 0 0 361.388 5.077 10 0 FKAERN Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)Nc3cccc(C)c3)cc2)n1 ZINC000008510102 207235625 /nfs/dbraw/zinc/23/56/25/207235625.db2.gz INKAAAMBHJBJFK-UHFFFAOYSA-N 0 0 367.452 5.408 10 0 FKAERN O=C(Nc1ccc(Br)cc1)c1cccc(-c2cccs2)c1 ZINC000008512963 204333212 /nfs/dbraw/zinc/33/32/12/204333212.db2.gz DKROMIPMGQLLOW-UHFFFAOYSA-N 0 0 358.260 5.430 10 0 FKAERN Clc1cc(Cl)c(OC[C@H]2CC(c3ccccc3)=NO2)cc1Cl ZINC000008516451 210230687 /nfs/dbraw/zinc/23/06/87/210230687.db2.gz PPJSYOADVVCNGP-LLVKDONJSA-N 0 0 356.636 5.219 10 0 FKAERN CC(C)(C)c1ccc(OC(=O)/C=C/c2ccc(F)cc2)c(C(C)(C)C)c1 ZINC000008557249 207236914 /nfs/dbraw/zinc/23/69/14/207236914.db2.gz YZQDDGVNTDQNKA-NTEUORMPSA-N 0 0 354.465 6.040 10 0 FKAERN COc1ccc(/C=C/C(=O)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 ZINC000008557250 210791461 /nfs/dbraw/zinc/79/14/61/210791461.db2.gz JLICULWNFBULGT-XNTDXEJSSA-N 0 0 366.501 5.909 10 0 FKAERN COc1ccccc1/C=C/C(=O)Oc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC000008557259 204335090 /nfs/dbraw/zinc/33/50/90/204335090.db2.gz LZMAVEZSJVLLTO-NTCAYCPXSA-N 0 0 366.501 5.909 10 0 FKAERN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc2ccccc21 ZINC000008562671 204335425 /nfs/dbraw/zinc/33/54/25/204335425.db2.gz BBNDNKNZMONAST-GOSISDBHSA-N 0 0 367.448 5.913 10 0 FKAERN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000008562672 204334986 /nfs/dbraw/zinc/33/49/86/204334986.db2.gz QOCSSTNSLNHOMA-HNNXBMFYSA-N 0 0 351.833 5.413 10 0 FKAERN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000008562673 207236211 /nfs/dbraw/zinc/23/62/11/207236211.db2.gz QOCSSTNSLNHOMA-OAHLLOKOSA-N 0 0 351.833 5.413 10 0 FKAERN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2ccccc21 ZINC000008562788 132843559 /nfs/dbraw/zinc/84/35/59/132843559.db2.gz WTTOFPKMFYBADT-SFHVURJKSA-N 0 0 357.453 5.100 10 0 FKAERN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1Cl ZINC000008562800 204335029 /nfs/dbraw/zinc/33/50/29/204335029.db2.gz DRELDWYERMZIBZ-MRXNPFEDSA-N 0 0 365.860 5.721 10 0 FKAERN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000008562881 204334752 /nfs/dbraw/zinc/33/47/52/204334752.db2.gz QRUGHCIXSSDMCL-MRXNPFEDSA-N 0 0 365.860 5.721 10 0 FKAERN Cc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2Br)cc1 ZINC000008566631 204335153 /nfs/dbraw/zinc/33/51/53/204335153.db2.gz WSGRTNMCRCNDFU-UHFFFAOYSA-N 0 0 367.242 5.644 10 0 FKAERN Cc1ccccc1Cn1ccc(NC(=O)Nc2cccc3ccccc32)n1 ZINC000008571191 219864028 /nfs/dbraw/zinc/86/40/28/219864028.db2.gz ZNMZFGSQHGZUIX-UHFFFAOYSA-N 0 0 356.429 5.037 10 0 FKAERN Cc1cccc(Nc2ncnc3onc(-c4ccc(Cl)cc4)c32)c1C ZINC000008595500 219864402 /nfs/dbraw/zinc/86/44/02/219864402.db2.gz WUTKUXAEKWGXAJ-UHFFFAOYSA-N 0 0 350.809 5.299 10 0 aggregator FKAERN COc1ccc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)cc1 ZINC000008680097 207240175 /nfs/dbraw/zinc/24/01/75/207240175.db2.gz RXKDAZIRHPJDFT-UHFFFAOYSA-N 0 0 361.319 5.226 10 0 FKAERN O=c1[nH]c(C(Cl)=Cc2cc(Cl)ccc2O)nc2cc(Cl)ccc12 ZINC000008693829 207241185 /nfs/dbraw/zinc/24/11/85/207241185.db2.gz FDEKBBCTVHRYLB-SDQBBNPISA-N 0 0 367.619 5.085 10 0 FKAERN OC[C@]1(c2ccc3ccccc3c2)CCCN1c1ccc2ccccc2c1 ZINC000008698073 207242607 /nfs/dbraw/zinc/24/26/07/207242607.db2.gz BUWGZHBHUSIQDQ-VWLOTQADSA-N 0 0 353.465 5.481 10 0 FKAERN Clc1ccc(Cn2c(Cc3cccs3)nc3ccccc32)c(Cl)c1 ZINC000008786996 204346865 /nfs/dbraw/zinc/34/68/65/204346865.db2.gz HHMLHAPDEJVZHN-UHFFFAOYSA-N 0 0 373.308 6.044 10 0 FKAERN Clc1ccc(Cn2c(Cc3cccs3)nc3ccccc32)cc1Cl ZINC000008786998 207249487 /nfs/dbraw/zinc/24/94/87/207249487.db2.gz VWSZRGJDCZIBJZ-UHFFFAOYSA-N 0 0 373.308 6.044 10 0 FKAERN Cc1cc(C)c(C)c(Cn2c(Cc3cccs3)nc3ccccc32)c1C ZINC000008787002 207248670 /nfs/dbraw/zinc/24/86/70/207248670.db2.gz IRYPRBDQBZGTQX-UHFFFAOYSA-N 0 0 360.526 5.971 10 0 FKAERN CC(C)(C)c1ccc(Cn2c(Cc3cccs3)nc3ccccc32)cc1 ZINC000008787007 204346476 /nfs/dbraw/zinc/34/64/76/204346476.db2.gz ZPDXNJGQKBSWIW-UHFFFAOYSA-N 0 0 360.526 6.034 10 0 FKAERN c1csc(Cc2nc3ccccc3n2Cc2cccc3ccccc32)c1 ZINC000008787008 207249915 /nfs/dbraw/zinc/24/99/15/207249915.db2.gz HMJUNNIJIFQKMW-UHFFFAOYSA-N 0 0 354.478 5.890 10 0 FKAERN Cc1cc(C)cc(OCCn2c(Cc3cccs3)nc3ccccc32)c1 ZINC000008787057 207249555 /nfs/dbraw/zinc/24/95/55/207249555.db2.gz HCTJYFJLEGLGQG-UHFFFAOYSA-N 0 0 362.498 5.384 10 0 FKAERN Cc1ccc(OCCCCn2c3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000008787266 204346761 /nfs/dbraw/zinc/34/67/61/204346761.db2.gz FVELKGPDFCXISW-UHFFFAOYSA-N 0 0 374.459 6.010 10 0 FKAERN Fc1ccc(-c2nc3ccccc3n2CCCCOc2ccccc2)cc1 ZINC000008787283 204345691 /nfs/dbraw/zinc/34/56/91/204345691.db2.gz CGGLNPSRVYEFFU-UHFFFAOYSA-N 0 0 360.432 5.702 10 0 FKAERN CC(C)(C)c1ccc(Cn2c3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000008787301 207249632 /nfs/dbraw/zinc/24/96/32/207249632.db2.gz MDNORKCEBZGMBP-UHFFFAOYSA-N 0 0 358.460 6.188 10 0 FKAERN Fc1ccc(-c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)cc1 ZINC000008787304 207249691 /nfs/dbraw/zinc/24/96/91/207249691.db2.gz BCYIXSUBVDECSO-UHFFFAOYSA-N 0 0 371.242 6.198 10 0 FKAERN Fc1ccc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1 ZINC000008787306 207249291 /nfs/dbraw/zinc/24/92/91/207249291.db2.gz NNROVKZPXMDOLG-UHFFFAOYSA-N 0 0 371.242 6.198 10 0 FKAERN Fc1ccc(-c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000008787308 210805441 /nfs/dbraw/zinc/80/54/41/210805441.db2.gz QUWIYCJQTRCDDS-UHFFFAOYSA-N 0 0 371.242 6.198 10 0 FKAERN Fc1ccc(-c2nc3ccccc3n2Cc2cccc3ccccc32)cc1 ZINC000008787311 204345997 /nfs/dbraw/zinc/34/59/97/204345997.db2.gz BSNCJULXVIGEJO-UHFFFAOYSA-N 0 0 352.412 6.044 10 0 FKAERN Fc1ccc(-c2nc3ccccc3n2Cc2ccc3ccccc3c2)cc1 ZINC000008787312 204346695 /nfs/dbraw/zinc/34/66/95/204346695.db2.gz RUXZJWSMCAHPOC-UHFFFAOYSA-N 0 0 352.412 6.044 10 0 FKAERN Cc1cccc(C)c1OCCCn1c2ccccc2nc1-c1ccc(F)cc1 ZINC000008787347 204346813 /nfs/dbraw/zinc/34/68/13/204346813.db2.gz MWVLHMWJHVAQQR-UHFFFAOYSA-N 0 0 374.459 5.928 10 0 FKAERN Cc1cc(C)cc(OCCCn2c3ccccc3nc2-c2ccc(F)cc2)c1 ZINC000008787359 204346030 /nfs/dbraw/zinc/34/60/30/204346030.db2.gz NNTCNZHSKFYINC-UHFFFAOYSA-N 0 0 374.459 5.928 10 0 FKAERN Cc1ccc(OCCCn2c3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000008787364 207249679 /nfs/dbraw/zinc/24/96/79/207249679.db2.gz HGSCZQHNBCQWFS-UHFFFAOYSA-N 0 0 360.432 5.620 10 0 FKAERN Cc1cccc(OCCn2c3ccccc3nc2-c2ccc(F)cc2)c1C ZINC000008787373 204346501 /nfs/dbraw/zinc/34/65/01/204346501.db2.gz FIROZDBYYBWISR-UHFFFAOYSA-N 0 0 360.432 5.538 10 0 FKAERN Cc1ccc(OCCn2c3ccccc3nc2-c2ccc(F)cc2)c(C)c1 ZINC000008787374 219870106 /nfs/dbraw/zinc/87/01/06/219870106.db2.gz KRJBHZIBNBUWQV-UHFFFAOYSA-N 0 0 360.432 5.538 10 0 FKAERN Cc1ccc(C)c(OCCn2c3ccccc3nc2-c2ccc(F)cc2)c1 ZINC000008787376 207249378 /nfs/dbraw/zinc/24/93/78/207249378.db2.gz UKZIUJHBMYIXRX-UHFFFAOYSA-N 0 0 360.432 5.538 10 0 FKAERN CC(C)c1ccccc1OCCn1c2ccccc2nc1-c1ccc(F)cc1 ZINC000008787381 207249862 /nfs/dbraw/zinc/24/98/62/207249862.db2.gz OJIZBLDRKRRMRY-UHFFFAOYSA-N 0 0 374.459 6.045 10 0 FKAERN Fc1ccc(-c2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1 ZINC000008787390 207248807 /nfs/dbraw/zinc/24/88/07/207248807.db2.gz XEYMFJJFJJVUCN-UHFFFAOYSA-N 0 0 366.823 5.575 10 0 FKAERN CCc1ccc(OCCn2c3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000008787393 207249707 /nfs/dbraw/zinc/24/97/07/207249707.db2.gz WRGRLMCECSOJGO-UHFFFAOYSA-N 0 0 360.432 5.484 10 0 FKAERN CC(C)c1ccc(OCCn2c3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000008787395 207249834 /nfs/dbraw/zinc/24/98/34/207249834.db2.gz LHFYFVYIXQHRBI-UHFFFAOYSA-N 0 0 374.459 6.045 10 0 FKAERN Cc1cccc(OCCn2c3ccccc3nc2-c2ccccc2F)c1C ZINC000008787403 207249352 /nfs/dbraw/zinc/24/93/52/207249352.db2.gz XRXMLBOHWOPDAW-UHFFFAOYSA-N 0 0 360.432 5.538 10 0 FKAERN Cc1ccc(OCCn2c3ccccc3nc2-c2ccccc2F)c(C)c1 ZINC000008787404 207249254 /nfs/dbraw/zinc/24/92/54/207249254.db2.gz AMYSVGRTPLIEQB-UHFFFAOYSA-N 0 0 360.432 5.538 10 0 FKAERN Cc1cccc(C)c1OCCn1c2ccccc2nc1-c1ccccc1F ZINC000008787405 207249419 /nfs/dbraw/zinc/24/94/19/207249419.db2.gz GILNXAPNOKVRIS-UHFFFAOYSA-N 0 0 360.432 5.538 10 0 FKAERN Cc1ccc(C)c(OCCn2c3ccccc3nc2-c2ccccc2F)c1 ZINC000008787406 204346840 /nfs/dbraw/zinc/34/68/40/204346840.db2.gz STVCJGKMZWOTPE-UHFFFAOYSA-N 0 0 360.432 5.538 10 0 FKAERN Cc1cc(C)cc(OCCn2c3ccccc3nc2-c2ccccc2F)c1 ZINC000008787417 204346070 /nfs/dbraw/zinc/34/60/70/204346070.db2.gz BYCVGDZAUBYRAZ-UHFFFAOYSA-N 0 0 360.432 5.538 10 0 FKAERN Fc1ccccc1-c1nc2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000008787420 207248912 /nfs/dbraw/zinc/24/89/12/207248912.db2.gz KPHUFXVCRLTGBM-UHFFFAOYSA-N 0 0 366.823 5.575 10 0 FKAERN Cc1ccc(OCCn2c3ccccc3nc2-c2ccccc2F)cc1C ZINC000008787421 219870161 /nfs/dbraw/zinc/87/01/61/219870161.db2.gz GJEMXXGXWDDOEY-UHFFFAOYSA-N 0 0 360.432 5.538 10 0 FKAERN CCc1ccc(OCCn2c3ccccc3nc2-c2ccccc2F)cc1 ZINC000008787423 204346533 /nfs/dbraw/zinc/34/65/33/204346533.db2.gz DFCXFTZVVVCFNY-UHFFFAOYSA-N 0 0 360.432 5.484 10 0 FKAERN CC(C)c1ccc(OCCn2c3ccccc3nc2-c2ccccc2F)cc1 ZINC000008787425 219870096 /nfs/dbraw/zinc/87/00/96/219870096.db2.gz SXNATYTXIWGFCO-UHFFFAOYSA-N 0 0 374.459 6.045 10 0 FKAERN Fc1ccccc1-c1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000008787481 204345658 /nfs/dbraw/zinc/34/56/58/204345658.db2.gz KDEMAUOOZRMMLJ-UHFFFAOYSA-N 0 0 354.787 5.683 10 0 FKAERN Fc1ccccc1-c1nc2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000008787482 204346027 /nfs/dbraw/zinc/34/60/27/204346027.db2.gz GYNRCONSSTVDDK-UHFFFAOYSA-N 0 0 371.242 6.198 10 0 FKAERN Fc1ccccc1-c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000008787485 204345993 /nfs/dbraw/zinc/34/59/93/204345993.db2.gz IJRSSHGTMCCTGS-UHFFFAOYSA-N 0 0 371.242 6.198 10 0 FKAERN Cc1cc(C)cc(OCCCn2c3ccccc3nc2-c2ccccc2F)c1 ZINC000008787517 204345874 /nfs/dbraw/zinc/34/58/74/204345874.db2.gz WCJKBIOBKUMVGA-UHFFFAOYSA-N 0 0 374.459 5.928 10 0 FKAERN Cc1ccc(OCCCn2c3ccccc3nc2-c2ccccc2F)cc1 ZINC000008787522 210805731 /nfs/dbraw/zinc/80/57/31/210805731.db2.gz PDLIENVNHVBUSR-UHFFFAOYSA-N 0 0 360.432 5.620 10 0 FKAERN O=C(Cn1c2ccccc2nc1-c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000008809995 207250116 /nfs/dbraw/zinc/25/01/16/207250116.db2.gz QAWCOZIEITWVNT-UHFFFAOYSA-N 0 0 364.807 5.379 10 0 FKAERN O=C(Cn1c(Cc2cccs2)nc2ccccc21)c1ccc(Cl)cc1 ZINC000008809997 204346658 /nfs/dbraw/zinc/34/66/58/204346658.db2.gz MOYYEQJOIPZZBD-UHFFFAOYSA-N 0 0 366.873 5.225 10 0 FKAERN COc1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000008906163 210807590 /nfs/dbraw/zinc/80/75/90/210807590.db2.gz IKDLQYZFKHRHMQ-OVCLIPMQSA-N 0 0 370.408 5.155 10 0 FKAERN COc1cc(Cl)ccc1OC(=O)C1=Cc2sc(C)c(C)c2CS1 ZINC000009211427 204357656 /nfs/dbraw/zinc/35/76/56/204357656.db2.gz JIASDTQHELYRGO-UHFFFAOYSA-N 0 0 366.891 5.220 10 0 FKAERN Cc1cc2nc(NC(=O)c3ccccc3Oc3ccccc3)sc2cc1C ZINC000009388719 204366019 /nfs/dbraw/zinc/36/60/19/204366019.db2.gz ULVKFPIWYGWPKH-UHFFFAOYSA-N 0 0 374.465 5.958 10 0 FKAERN Cc1ccc(SCCCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000009473922 204369155 /nfs/dbraw/zinc/36/91/55/204369155.db2.gz SLJUROLIBMLPBL-UHFFFAOYSA-N 0 0 364.308 5.269 10 0 FKAERN Cc1ccc(SCCCC(=O)Nc2cccc(Br)c2)cc1 ZINC000009473924 210837010 /nfs/dbraw/zinc/83/70/10/210837010.db2.gz CULMCWJGOLYRDT-UHFFFAOYSA-N 0 0 364.308 5.269 10 0 FKAERN Cc1ccc(CC(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)c(C)c1 ZINC000009504443 207274845 /nfs/dbraw/zinc/27/48/45/207274845.db2.gz QQDCUZXAWBQNAR-UHFFFAOYSA-N 0 0 364.514 5.732 10 0 FKAERN Cc1ccc(CC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c(C)c1 ZINC000009504446 204371837 /nfs/dbraw/zinc/37/18/37/204371837.db2.gz ZFSHAJLNMJFXBK-UHFFFAOYSA-N 0 0 372.493 5.761 10 0 FKAERN Cc1ccc(C(=O)N(Cc2ccccc2)c2nc3ccccc3s2)cc1 ZINC000009524185 204372575 /nfs/dbraw/zinc/37/25/75/204372575.db2.gz GDYQZHLMFYGHJQ-UHFFFAOYSA-N 0 0 358.466 5.452 10 0 FKAERN Cc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccccc3)nc21 ZINC000009524318 204371657 /nfs/dbraw/zinc/37/16/57/204371657.db2.gz NTUAPSVQQYQKIY-UHFFFAOYSA-N 0 0 358.466 5.452 10 0 FKAERN Cc1ccc(C(=O)N(Cc2ccccc2)c2nc3c(cccc3C)s2)cc1 ZINC000009524319 207275762 /nfs/dbraw/zinc/27/57/62/207275762.db2.gz UQTMUQMGALYAQE-UHFFFAOYSA-N 0 0 372.493 5.760 10 0 FKAERN Cc1cccc(C(=O)N(Cc2ccccc2)c2nc3c(cccc3C)s2)c1 ZINC000009524320 204371858 /nfs/dbraw/zinc/37/18/58/204371858.db2.gz JRSAOAOPIQRYHY-UHFFFAOYSA-N 0 0 372.493 5.760 10 0 FKAERN Cc1cccc2sc(N(Cc3ccccc3)C(=O)C3CCCCC3)nc21 ZINC000009524359 204371946 /nfs/dbraw/zinc/37/19/46/204371946.db2.gz FXWPVNDWBNDNKH-UHFFFAOYSA-N 0 0 364.514 5.718 10 0 FKAERN Cc1ccc2nc(N(Cc3ccccc3)C(=O)Cc3ccccc3)sc2c1 ZINC000009525022 204371920 /nfs/dbraw/zinc/37/19/20/204371920.db2.gz GGSQQQTWXCCIOL-UHFFFAOYSA-N 0 0 372.493 5.381 10 0 FKAERN Cc1ccc2sc(N(Cc3ccccc3)C(=O)c3ccccc3)nc2c1C ZINC000009542099 207277017 /nfs/dbraw/zinc/27/70/17/207277017.db2.gz JNTFOKIOHVYNJC-UHFFFAOYSA-N 0 0 372.493 5.760 10 0 FKAERN Cc1cc2nc(N(Cc3ccccc3)C(=O)c3ccccc3)sc2cc1C ZINC000009542685 207277223 /nfs/dbraw/zinc/27/72/23/207277223.db2.gz IKIGUWRLVPSGCE-UHFFFAOYSA-N 0 0 372.493 5.760 10 0 FKAERN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc2c1O[C@@H](C)[C@H]2C ZINC000009579260 204375050 /nfs/dbraw/zinc/37/50/50/204375050.db2.gz DTXIBQQLTJRPHS-RDBSUJKOSA-N 0 0 366.486 5.014 10 0 FKAERN CCCC(CCC)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000009694170 204378975 /nfs/dbraw/zinc/37/89/75/204378975.db2.gz SVEFJZJKIPWWFY-UHFFFAOYSA-N 0 0 366.530 6.427 10 0 FKAERN CCCC(CCC)C(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1 ZINC000009694171 207283285 /nfs/dbraw/zinc/28/32/85/207283285.db2.gz KSKCQQGOCKUITF-UHFFFAOYSA-N 0 0 350.462 5.958 10 0 FKAERN CC(C)c1ccccc1NC(=O)c1ccc(OCCc2ccccc2)cc1 ZINC000009695575 204379979 /nfs/dbraw/zinc/37/99/79/204379979.db2.gz UNWGRJSUMBERDR-UHFFFAOYSA-N 0 0 359.469 5.684 10 0 FKAERN CCOc1ccc(C(=O)Nc2ccccc2C(C)C)cc1Br ZINC000009695611 204379912 /nfs/dbraw/zinc/37/99/12/204379912.db2.gz UEMVIURDAVNIRZ-UHFFFAOYSA-N 0 0 362.267 5.224 10 0 FKAERN CC(C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000009695614 207282819 /nfs/dbraw/zinc/28/28/19/207282819.db2.gz PHSFTYSGHJBGDH-UHFFFAOYSA-N 0 0 374.509 5.604 10 0 FKAERN CC(C)c1ccccc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000009695633 207283121 /nfs/dbraw/zinc/28/31/21/207283121.db2.gz SPSCUGGDKDEQDR-UHFFFAOYSA-N 0 0 354.519 5.234 10 0 FKAERN CC(C)c1ccccc1NC(=S)NC(=O)Cc1cccc2ccccc21 ZINC000009695635 204380254 /nfs/dbraw/zinc/38/02/54/204380254.db2.gz DDZOQGAOMBTODK-UHFFFAOYSA-N 0 0 362.498 5.019 10 0 FKAERN CCCCCCOc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000009696160 204379637 /nfs/dbraw/zinc/37/96/37/204379637.db2.gz QBYUHACJGZAHKQ-UHFFFAOYSA-N 0 0 373.496 6.565 10 0 FKAERN CCCCCCOc1cccc(NC(=O)c2ccc(OCCC)cc2)c1 ZINC000009696283 204380020 /nfs/dbraw/zinc/38/00/20/204380020.db2.gz WVAPFQVFUONAAB-UHFFFAOYSA-N 0 0 355.478 5.687 10 0 FKAERN CCCCCCOc1cccc(NC(=O)c2cccc(OCCCC)c2)c1 ZINC000009696310 219884780 /nfs/dbraw/zinc/88/47/80/219884780.db2.gz BMRGARARPCHJGS-UHFFFAOYSA-N 0 0 369.505 6.077 10 0 FKAERN CCCCCCOc1cccc(NC(=S)NC(=O)c2ccc(C)cc2)c1 ZINC000009696377 219884726 /nfs/dbraw/zinc/88/47/26/219884726.db2.gz VXETXUWWIKBFFU-UHFFFAOYSA-N 0 0 370.518 5.081 10 0 FKAERN CCCCCCOc1ccc(C(=O)Nc2cccc(OCCCC)c2)cc1 ZINC000009778209 204382058 /nfs/dbraw/zinc/38/20/58/204382058.db2.gz GKVIAKADFFHJEP-UHFFFAOYSA-N 0 0 369.505 6.077 10 0 FKAERN CCCCCOc1ccccc1C(=O)Nc1cccc(OCCCC)c1 ZINC000009778262 204382029 /nfs/dbraw/zinc/38/20/29/204382029.db2.gz VECOXEPZCRERLV-UHFFFAOYSA-N 0 0 355.478 5.687 10 0 FKAERN CCCCOc1cccc(NC(=O)c2ccc(OCCC(C)C)cc2)c1 ZINC000009778270 204382195 /nfs/dbraw/zinc/38/21/95/204382195.db2.gz QTVAWISWBKNFHP-UHFFFAOYSA-N 0 0 355.478 5.543 10 0 FKAERN CC(C)CCOc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000009783950 219886053 /nfs/dbraw/zinc/88/60/53/219886053.db2.gz IQRKEOJWLCIXCX-UHFFFAOYSA-N 0 0 352.261 5.671 10 0 FKAERN CCCCCOc1ccc(C(=O)Nc2cccc(OCCC(C)C)c2)cc1 ZINC000009784037 204382268 /nfs/dbraw/zinc/38/22/68/204382268.db2.gz KAWALTCLDDCKJE-UHFFFAOYSA-N 0 0 369.505 5.933 10 0 FKAERN CCCCOc1ccc(C(=O)Nc2cccc(OCCC(C)C)c2)cc1 ZINC000009784039 204381688 /nfs/dbraw/zinc/38/16/88/204381688.db2.gz HWWPVHRPRWMAMQ-UHFFFAOYSA-N 0 0 355.478 5.543 10 0 FKAERN CCCCOc1cccc(C(=O)Nc2cccc(OCCC(C)C)c2)c1 ZINC000009784065 204382366 /nfs/dbraw/zinc/38/23/66/204382366.db2.gz NFJOLNVKHZMLAA-UHFFFAOYSA-N 0 0 355.478 5.543 10 0 FKAERN CC(C)c1ccc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2c1 ZINC000009832354 207286791 /nfs/dbraw/zinc/28/67/91/207286791.db2.gz SWUOCXXDABDFDU-UHFFFAOYSA-N 0 0 365.285 5.979 10 0 FKAERN CCc1cccc2sc(NC(=O)c3sc4ccccc4c3Cl)nc21 ZINC000009832398 210853658 /nfs/dbraw/zinc/85/36/58/210853658.db2.gz JJLPCUUEGAGLRK-UHFFFAOYSA-N 0 0 372.902 5.979 10 0 FKAERN CC(C)c1ccc2nc(NC(=O)c3ccc4c(c3)CCCC4)sc2c1 ZINC000009832482 204384260 /nfs/dbraw/zinc/38/42/60/204384260.db2.gz GLWBUDRHAQVZQY-UHFFFAOYSA-N 0 0 350.487 5.551 10 0 FKAERN CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000009866299 207288309 /nfs/dbraw/zinc/28/83/09/207288309.db2.gz IJJAYCUXQMDCJA-QWHCGFSZSA-N 0 0 366.288 5.913 10 0 FKAERN CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000009867150 204384897 /nfs/dbraw/zinc/38/48/97/204384897.db2.gz RASPZCANEMHERR-CHWSQXEVSA-N 0 0 366.288 5.913 10 0 FKAERN CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000009868825 204385012 /nfs/dbraw/zinc/38/50/12/204385012.db2.gz QUAUFFSYYNTKKX-STQMWFEESA-N 0 0 366.288 5.913 10 0 FKAERN CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000009869267 204384799 /nfs/dbraw/zinc/38/47/99/204384799.db2.gz BVNQEYGJARGRSV-STQMWFEESA-N 0 0 366.288 5.913 10 0 FKAERN CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000009869273 219886617 /nfs/dbraw/zinc/88/66/17/219886617.db2.gz BVNQEYGJARGRSV-CHWSQXEVSA-N 0 0 366.288 5.913 10 0 FKAERN CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000009869279 207288493 /nfs/dbraw/zinc/28/84/93/207288493.db2.gz BVNQEYGJARGRSV-QWHCGFSZSA-N 0 0 366.288 5.913 10 0 FKAERN CCOCCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000009878110 204384933 /nfs/dbraw/zinc/38/49/33/204384933.db2.gz FPZKBWCMFKCJMZ-UHFFFAOYSA-N 0 0 361.441 5.021 10 0 FKAERN O=C(CCCSc1ccc(Cl)cc1)Nc1nc2c(s1)CCCC2 ZINC000009910361 204386459 /nfs/dbraw/zinc/38/64/59/204386459.db2.gz JPSFATGNNPUNDP-UHFFFAOYSA-N 0 0 366.939 5.186 10 0 FKAERN O=C(CCCSc1ccc(Cl)cc1)Nc1ccc2sccc2c1 ZINC000009910642 204386378 /nfs/dbraw/zinc/38/63/78/204386378.db2.gz IIQNKSYSZMZWBC-UHFFFAOYSA-N 0 0 361.919 6.066 10 0 FKAERN O=C(CCCSc1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl ZINC000009910849 210856896 /nfs/dbraw/zinc/85/68/96/210856896.db2.gz QTDBBJKCXPBBOD-UHFFFAOYSA-N 0 0 374.720 6.158 10 0 FKAERN CCCCOc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000010012426 207292450 /nfs/dbraw/zinc/29/24/50/207292450.db2.gz IHWVOMVLRGUCGV-UHFFFAOYSA-N 0 0 370.518 5.116 10 0 FKAERN CC[C@@H](C)Oc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000010012488 204388049 /nfs/dbraw/zinc/38/80/49/204388049.db2.gz WTBHALJZEJSADI-OAHLLOKOSA-N 0 0 370.518 5.114 10 0 FKAERN CC[C@H](C)Oc1cccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000010012493 204388839 /nfs/dbraw/zinc/38/88/39/204388839.db2.gz UHOQSDQBIISOCE-HNNXBMFYSA-N 0 0 370.518 5.114 10 0 FKAERN O=C(CCc1ccccc1Cl)Nc1ccc(Nc2ccccc2)cc1 ZINC000010012693 204389123 /nfs/dbraw/zinc/38/91/23/204389123.db2.gz UFHIFQMXIYKOFB-UHFFFAOYSA-N 0 0 350.849 5.655 10 0 FKAERN Cc1c2nc(NC(=O)Cc3ccc(C(C)C)cc3)sc2ccc1Cl ZINC000010096483 207295004 /nfs/dbraw/zinc/29/50/04/207295004.db2.gz YDSYRTWJHWPLCE-UHFFFAOYSA-N 0 0 358.894 5.563 10 0 FKAERN Cc1ccc(Cl)c2sc(NC(=O)Cc3ccc(C(C)C)cc3)nc21 ZINC000010096487 207295462 /nfs/dbraw/zinc/29/54/62/207295462.db2.gz GGXAHJPUKHIRBP-UHFFFAOYSA-N 0 0 358.894 5.563 10 0 FKAERN COc1ccc(Cl)c2sc(NC(=O)Cc3ccc(C(C)C)cc3)nc21 ZINC000010096990 207295195 /nfs/dbraw/zinc/29/51/95/207295195.db2.gz FMQVFWSILUFCJV-UHFFFAOYSA-N 0 0 374.893 5.263 10 0 FKAERN O=C(Nc1ccc(OCCC2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000010120856 207295305 /nfs/dbraw/zinc/29/53/05/207295305.db2.gz KOZTZCPLRDOZTF-UHFFFAOYSA-N 0 0 357.881 5.942 10 0 FKAERN O=C(Nc1cccc(Cl)c1)c1cccc(OCCc2ccccc2)c1 ZINC000010328559 210870322 /nfs/dbraw/zinc/87/03/22/210870322.db2.gz SMWUWTQGFYESDE-UHFFFAOYSA-N 0 0 351.833 5.214 10 0 FKAERN O=C(Nc1ccc(Cl)cc1)c1cccc(OCCc2ccccc2)c1 ZINC000010328743 204394240 /nfs/dbraw/zinc/39/42/40/204394240.db2.gz KRJGYENYCCMPLY-UHFFFAOYSA-N 0 0 351.833 5.214 10 0 FKAERN Cc1c(Cl)cccc1NC(=O)c1cccc(OCCc2ccccc2)c1 ZINC000010329046 207299740 /nfs/dbraw/zinc/29/97/40/207299740.db2.gz FXRGVXAPAQCGIU-UHFFFAOYSA-N 0 0 365.860 5.522 10 0 FKAERN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(OCCc2ccccc2)c1 ZINC000010329575 204395081 /nfs/dbraw/zinc/39/50/81/204395081.db2.gz JIXYFBWXNUMARX-UHFFFAOYSA-N 0 0 369.823 5.353 10 0 FKAERN Cc1cc(C)cc(OCCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000011637498 207317574 /nfs/dbraw/zinc/31/75/74/207317574.db2.gz SUALTDHHHCPVDA-UHFFFAOYSA-N 0 0 371.786 5.383 10 0 FKAERN Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccnc2)c1 ZINC000011664979 207316724 /nfs/dbraw/zinc/31/67/24/207316724.db2.gz IOBLQCWTUPAHCC-DEOSSOPVSA-N 0 0 353.469 5.019 10 0 FKAERN Cc1oc(-c2ccccc2Cl)nc1CN1CCCC[C@@H]1c1nccs1 ZINC000011717083 219930797 /nfs/dbraw/zinc/93/07/97/219930797.db2.gz VYJPGDGBXGWIFJ-QGZVFWFLSA-N 0 0 373.909 5.487 10 0 FKAERN COCc1ccc(CN2CCc3c4ccccc4[nH]c3[C@H]2C(C)(C)C)o1 ZINC000011818735 203826108 /nfs/dbraw/zinc/82/61/08/203826108.db2.gz SGVCRRJGTCFHLJ-NRFANRHFSA-N 0 0 352.478 5.053 10 0 FKAERN O=C(c1ccccc1F)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000012020140 132898038 /nfs/dbraw/zinc/89/80/38/132898038.db2.gz FKYJYIJICPZBLW-UHFFFAOYSA-N 0 0 355.821 5.922 10 0 FKAERN Fc1ccc(-c2csc3ncnc(Nc4cccc5ccccc54)c23)cc1 ZINC000012084598 207336915 /nfs/dbraw/zinc/33/69/15/207336915.db2.gz QWEIASDUFFEZBD-UHFFFAOYSA-N 0 0 371.440 6.394 10 0 FKAERN CCc1ccc(Nc2ncnc3scc(-c4ccc(CC)cc4)c32)cc1 ZINC000012084613 204429471 /nfs/dbraw/zinc/42/94/71/204429471.db2.gz PFUOGMBHRPQDDJ-UHFFFAOYSA-N 0 0 359.498 6.227 10 0 FKAERN Cc1c(C(=O)OCC(C)C)sc2ncnc(Nc3ccc(C)cc3C)c12 ZINC000012084709 207337338 /nfs/dbraw/zinc/33/73/38/207337338.db2.gz DAJKWRLECJSYSC-UHFFFAOYSA-N 0 0 369.490 5.173 10 0 FKAERN Cc1cc(C)nc(Oc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)n1 ZINC000012090373 207337112 /nfs/dbraw/zinc/33/71/12/207337112.db2.gz DMUXIUXMESJLFO-UHFFFAOYSA-N 0 0 368.824 5.183 10 0 FKAERN Clc1ccc(CSc2nc(-c3ccccc3)cs2)c(Cl)c1 ZINC000012129575 207340792 /nfs/dbraw/zinc/34/07/92/207340792.db2.gz WYCWCERYRCLHGX-UHFFFAOYSA-N 0 0 352.311 6.409 10 0 FKAERN Brc1cccc(CSc2nc(-c3ccccc3)cs2)c1 ZINC000012129593 219957020 /nfs/dbraw/zinc/95/70/20/219957020.db2.gz PHPGQJQZKKZXGE-UHFFFAOYSA-N 0 0 362.317 5.865 10 0 FKAERN CCc1ccc(-c2csc3ncnc(Nc4cccc(Cl)c4)c23)cc1 ZINC000012130726 207340672 /nfs/dbraw/zinc/34/06/72/207340672.db2.gz WQEHXBQMTKFBPH-UHFFFAOYSA-N 0 0 365.889 6.318 10 0 FKAERN Fc1cccc([C@@H]2CCN(CCCC(F)(F)F)c3ccccc3S2)c1 ZINC000012247278 204445189 /nfs/dbraw/zinc/44/51/89/204445189.db2.gz IBVQKSWWQVWGON-KRWDZBQOSA-N 0 0 369.427 6.212 10 0 FKAERN Fc1cccc([C@H]2CCN(CCCC(F)(F)F)c3ccccc3S2)c1 ZINC000012247279 207351758 /nfs/dbraw/zinc/35/17/58/207351758.db2.gz IBVQKSWWQVWGON-QGZVFWFLSA-N 0 0 369.427 6.212 10 0 FKAERN Cc1sc(NC(=O)c2cccnc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000012276911 207353981 /nfs/dbraw/zinc/35/39/81/207353981.db2.gz QCGAECLYTFTZBG-UHFFFAOYSA-N 0 0 371.465 5.433 10 0 FKAERN Cc1cc(OCC(=O)Nc2cccc(Cl)c2Cl)cc(C)c1Cl ZINC000012403284 207369221 /nfs/dbraw/zinc/36/92/21/207369221.db2.gz GWOPUHDHKOHCOY-UHFFFAOYSA-N 0 0 358.652 5.281 10 0 FKAERN CSc1ccc(-c2nc(CN(C)[C@@H](C)c3nc(C)cs3)c(C)o2)cc1 ZINC000012430303 204461537 /nfs/dbraw/zinc/46/15/37/204461537.db2.gz QZNKYZIDKDEPHX-ZDUSSCGKSA-N 0 0 373.547 5.330 10 0 FKAERN O=C(CC1CCCCC1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccn1 ZINC000012432687 219994854 /nfs/dbraw/zinc/99/48/54/219994854.db2.gz IVLWKMLRDVFYII-XMMPIXPASA-N 0 0 373.500 5.007 10 0 FKAERN CCOc1ccc(-c2cs/c(=N/c3ccccc3)n2-c2ccccc2)cc1 ZINC000012524155 220002911 /nfs/dbraw/zinc/00/29/11/220002911.db2.gz IXRMBGQFMYWKBM-WCWDXBQESA-N 0 0 372.493 5.837 10 0 FKAERN FC(F)(F)c1cc(C(F)(F)F)c2sc(Nc3ccccc3)nc2n1 ZINC000012528803 207386202 /nfs/dbraw/zinc/38/62/02/207386202.db2.gz HTLWOOGJCLFCOI-UHFFFAOYSA-N 0 0 363.286 5.473 10 0 FKAERN Cc1ccc(-n2c(-c3ccc(Cl)cc3)cs/c2=N/C(=O)C(C)C)cc1 ZINC000012570778 206294385 /nfs/dbraw/zinc/29/43/85/206294385.db2.gz CXIUOUWMCHQPTR-LSDHQDQOSA-N 0 0 370.905 5.251 10 0 FKAERN COCc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2CC(C)C)o1 ZINC000012588923 220011059 /nfs/dbraw/zinc/01/10/59/220011059.db2.gz BPMSQKCYNZZCDL-NRFANRHFSA-N 0 0 352.478 5.053 10 0 FKAERN COc1cc(C)c(-c2nc(CN(C)Cc3sccc3C)c(C)o2)cc1C ZINC000012710623 220019442 /nfs/dbraw/zinc/01/94/42/220019442.db2.gz QGXXHBKXUDOYMZ-UHFFFAOYSA-N 0 0 370.518 5.277 10 0 FKAERN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C\c1ccccc1)[C@@H]2O ZINC000012719927 206295414 /nfs/dbraw/zinc/29/54/14/206295414.db2.gz ZPIDDLUDNFHGDG-DHVCSGBISA-N 0 0 360.497 5.303 10 0 FKAERN Cc1ccc(C(=O)Nc2nc(-c3cc4cc(Cl)ccc4o3)cs2)cn1 ZINC000012971413 204514038 /nfs/dbraw/zinc/51/40/38/204514038.db2.gz GPEDRJOEVLPEFL-UHFFFAOYSA-N 0 0 369.833 5.165 10 0 FKAERN Cc1ccc(NC(C(Cl)=C(Cl)Cl)=C(Cl)[N+](=O)[O-])c(C)c1 ZINC000013115434 570773752 /nfs/dbraw/zinc/77/37/52/570773752.db2.gz JZXQLIQLYJIWQV-BENRWUELSA-N 0 0 356.036 5.285 10 0 FKAERN COc1cc2c(Cc3ccc(Cl)cc3)cnc(C(C)C)c2cc1OC ZINC000013232533 220062398 /nfs/dbraw/zinc/06/23/98/220062398.db2.gz GODDZZSCRYOPAF-UHFFFAOYSA-N 0 0 355.865 5.620 10 0 FKAERN COc1ccc(-c2nc3ccccc3n2C(=O)c2ccc(Cl)cc2)cc1 ZINC000013233454 570775563 /nfs/dbraw/zinc/77/55/63/570775563.db2.gz YMYFTKOGUCLMTN-UHFFFAOYSA-N 0 0 362.816 5.054 10 0 FKAERN O=C(c1ccc(Cl)cc1)n1c2ccccc2nc1-c1ccc(F)cc1 ZINC000013234027 220061950 /nfs/dbraw/zinc/06/19/50/220061950.db2.gz SLGQWGXDBPVGQP-UHFFFAOYSA-N 0 0 350.780 5.184 10 0 FKAERN Clc1ccc([C@@H]2CCc3cc(Br)cnc3O2)cc1Cl ZINC000013282561 211029244 /nfs/dbraw/zinc/02/92/44/211029244.db2.gz KPNRIVBFNMVMSS-ZDUSSCGKSA-N 0 0 359.050 5.217 10 0 FKAERN Clc1ccc([C@H]2CCc3cc(Br)cnc3O2)cc1Cl ZINC000013282562 211029345 /nfs/dbraw/zinc/02/93/45/211029345.db2.gz KPNRIVBFNMVMSS-CYBMUJFWSA-N 0 0 359.050 5.217 10 0 FKAERN Nc1cncc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc12 ZINC000013285030 210234484 /nfs/dbraw/zinc/23/44/84/210234484.db2.gz GZTZMSPDXXGYMM-UHFFFAOYSA-N 0 0 367.239 5.248 10 0 FKAERN O=C(Nc1cccc(Cl)c1)Nc1ccccc1-c1cc2ccccc2[nH]1 ZINC000013351314 211030948 /nfs/dbraw/zinc/03/09/48/211030948.db2.gz FZIIXTPNXCURAK-UHFFFAOYSA-N 0 0 361.832 6.132 10 0 FKAERN Cc1ccc(CNC(=O)C2=Cc3cc(-c4ccc(C)cc4)ccc3OC2)cc1 ZINC000013353138 220064840 /nfs/dbraw/zinc/06/48/40/220064840.db2.gz QVMMZUNKIIRNIU-UHFFFAOYSA-N 0 0 369.464 5.063 10 0 FKAERN COc1ccc(-c2nc3ccccc3c(Nc3ccccc3)n2)cc1OC ZINC000013361676 220065860 /nfs/dbraw/zinc/06/58/60/220065860.db2.gz WIBHNHLORNKGTP-UHFFFAOYSA-N 0 0 357.413 5.058 10 0 FKAERN CC(C)=CCc1cccc2c([C@@H](C=C(C)C)c3c[nH]c4ccccc43)c[nH]c21 ZINC000013365939 204528977 /nfs/dbraw/zinc/52/89/77/204528977.db2.gz MFLJSVIXUBIVEJ-QFIPXVFZSA-N 0 0 368.524 7.256 10 0 FKAERN CC(C)=CCc1cccc2c([C@H](C=C(C)C)c3c[nH]c4ccccc43)c[nH]c21 ZINC000013365942 220065781 /nfs/dbraw/zinc/06/57/81/220065781.db2.gz MFLJSVIXUBIVEJ-JOCHJYFZSA-N 0 0 368.524 7.256 10 0 FKAERN O=C1O/C(=C\c2ccccc2)C(Cc2ccccc2)=C1Cc1ccccc1 ZINC000013449640 220068562 /nfs/dbraw/zinc/06/85/62/220068562.db2.gz LUUFEHDSGHDNCI-MOHJPFBDSA-N 0 0 352.433 5.366 10 0 FKAERN Cc1ccc([C@H]2CN=N[C@]23C(=O)c2ccccc2O[C@@H]3c2ccccc2)cc1 ZINC000013465793 204530708 /nfs/dbraw/zinc/53/07/08/204530708.db2.gz NAICJOWMLQHUQW-HUVFLSCGSA-N 0 0 368.436 5.300 10 0 FKAERN Cc1ccc([C@H]2CN=N[C@@]23C(=O)c2ccccc2O[C@@H]3c2ccccc2)cc1 ZINC000013465797 570778080 /nfs/dbraw/zinc/77/80/80/570778080.db2.gz NAICJOWMLQHUQW-AGILITTLSA-N 0 0 368.436 5.300 10 0 FKAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)c1cccs1 ZINC000013465837 211033682 /nfs/dbraw/zinc/03/36/82/211033682.db2.gz TVMPTDDDIVIKTA-IHPCNDPISA-N 0 0 355.547 5.851 10 0 FKAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)c1cccs1 ZINC000013465841 570777947 /nfs/dbraw/zinc/77/79/47/570777947.db2.gz TVMPTDDDIVIKTA-SXLOBPIMSA-N 0 0 355.547 5.851 10 0 FKAERN CN(C)c1ccc(-c2cc3ncccc3c(NCC3CCCCC3)n2)cc1 ZINC000013489191 220070060 /nfs/dbraw/zinc/07/00/60/220070060.db2.gz QRQBVNPQMPOCDL-UHFFFAOYSA-N 0 0 360.505 5.355 10 0 FKAERN Nc1ccccc1Nc1ccc(C(=O)c2ccccc2Br)cc1 ZINC000013531288 220072594 /nfs/dbraw/zinc/07/25/94/220072594.db2.gz MSGGRRJXKDUMOF-UHFFFAOYSA-N 0 0 367.246 5.006 10 0 FKAERN CCCCC/C=C/C/C=C\C/C=C\C/C=C\CCCC(=O)C(F)(F)F ZINC000013531911 211037594 /nfs/dbraw/zinc/03/75/94/211037594.db2.gz PLWROONZUDKYKG-QGDKPUJISA-N 0 0 356.472 7.264 10 0 FKAERN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)C(F)(F)F ZINC000013531914 211037541 /nfs/dbraw/zinc/03/75/41/211037541.db2.gz PLWROONZUDKYKG-MLFLMRJSSA-N 0 0 356.472 7.264 10 0 FKAERN O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccccc1 ZINC000013586447 220077236 /nfs/dbraw/zinc/07/72/36/220077236.db2.gz GQFWFPVBIHHTGX-UHFFFAOYSA-N 0 0 351.409 5.063 10 0 in-vivo FKAERN O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)C1CCCCC1 ZINC000013586461 203923364 /nfs/dbraw/zinc/92/33/64/203923364.db2.gz IBKAQSVTVQTIDD-UHFFFAOYSA-N 0 0 357.457 5.329 10 0 FKAERN O=C(NCc1ccc(Cl)cc1Cl)Nc1cccc2ccc(O)cc21 ZINC000013589064 220076989 /nfs/dbraw/zinc/07/69/89/220076989.db2.gz OJGHSCDHTGTBNJ-UHFFFAOYSA-N 0 0 361.228 5.174 10 0 FKAERN Cc1oc(-c2ccccc2C)nc1CN1CCC[C@H]1c1ccc(F)cc1 ZINC000013593560 220077127 /nfs/dbraw/zinc/07/71/27/220077127.db2.gz MQVUAVFNLAIJCT-NRFANRHFSA-N 0 0 350.437 5.435 10 0 FKAERN CC(C)Sc1c2cc(OCc3ccccc3)ccc2sc1C(N)=O ZINC000013603751 220078277 /nfs/dbraw/zinc/07/82/77/220078277.db2.gz ULUVPKPMHIUGIJ-UHFFFAOYSA-N 0 0 357.500 5.080 10 0 FKAERN CCC(=O)Nc1cc(-c2sc(CC)nc2-c2cccc(C)c2)ccn1 ZINC000013673378 220082628 /nfs/dbraw/zinc/08/26/28/220082628.db2.gz QVEWLQUEUPMWAW-UHFFFAOYSA-N 0 0 351.475 5.091 10 0 FKAERN CCCC(=O)Nc1cc(-c2sc(CC)nc2-c2cccc(C)c2)ccn1 ZINC000013673380 210233261 /nfs/dbraw/zinc/23/32/61/210233261.db2.gz BMOINXPPDNBEDH-UHFFFAOYSA-N 0 0 365.502 5.482 10 0 FKAERN Cc1ccc2c(c1)[C@H](C(=O)Nc1ccccc1C(C)C)c1ccccc1CO2 ZINC000013735176 220092490 /nfs/dbraw/zinc/09/24/90/220092490.db2.gz VUUXTSZTYACSOI-XMMPIXPASA-N 0 0 371.480 5.781 10 0 FKAERN COc1ccc([C@@H]2Sc3ccc(Cl)cc3-n3cccc3C2=O)cc1 ZINC000013739842 211056948 /nfs/dbraw/zinc/05/69/48/211056948.db2.gz NXHRTAAEAHLYHU-IBGZPJMESA-N 0 0 355.846 5.169 10 0 FKAERN COc1ccc([C@H]2Sc3ccc(Cl)cc3-n3cccc3C2=O)cc1 ZINC000013739843 211056546 /nfs/dbraw/zinc/05/65/46/211056546.db2.gz NXHRTAAEAHLYHU-LJQANCHMSA-N 0 0 355.846 5.169 10 0 FKAERN CC(=O)OC1=C(c2ccccc2)Sc2ccc(Cl)cc2-n2cccc21 ZINC000013739859 211056735 /nfs/dbraw/zinc/05/67/35/211056735.db2.gz LGSYIVFOVUECCT-UHFFFAOYSA-N 0 0 367.857 5.625 10 0 FKAERN CC(=O)OC1=C(c2ccc(F)cc2)Sc2ccccc2-n2cccc21 ZINC000013739877 211055290 /nfs/dbraw/zinc/05/52/90/211055290.db2.gz ACVAYFWUOYGQCJ-UHFFFAOYSA-N 0 0 351.402 5.111 10 0 FKAERN COc1cccc2c(Nc3ccccc3C)nc(Nc3ccccc3C)nc12 ZINC000013742285 206804868 /nfs/dbraw/zinc/80/48/68/206804868.db2.gz NRNFZLGTTZCKCI-UHFFFAOYSA-N 0 0 370.456 5.742 10 0 FKAERN CS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)c(Cl)c3)CCC2)cc1 ZINC000013744274 204550097 /nfs/dbraw/zinc/55/00/97/204550097.db2.gz YEJIZZJWJVYPPH-UHFFFAOYSA-N 0 0 367.297 5.492 10 0 FKAERN CS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)cc3)CC3(CC3)C2)cc1 ZINC000013745526 220092248 /nfs/dbraw/zinc/09/22/48/220092248.db2.gz BEAMWMXOENPANF-UHFFFAOYSA-N 0 0 358.890 5.228 10 0 FKAERN CCCCc1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000013747948 204552437 /nfs/dbraw/zinc/55/24/37/204552437.db2.gz JVYGPPZZUBZOGN-UHFFFAOYSA-N 0 0 352.425 5.857 10 0 FKAERN CS(=O)(=O)c1ccc(-c2ccccc2-c2ccc(F)c(Cl)c2)cc1 ZINC000013755782 220093163 /nfs/dbraw/zinc/09/31/63/220093163.db2.gz DRLYABMZPXHNSE-UHFFFAOYSA-N 0 0 360.837 5.217 10 0 FKAERN COc1ccc(-c2ccccc2-c2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000013755785 204551969 /nfs/dbraw/zinc/55/19/69/204551969.db2.gz KZIVRPXSIUTGGU-UHFFFAOYSA-N 0 0 372.873 5.086 10 0 FKAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1cccnc1 ZINC000013782531 207486337 /nfs/dbraw/zinc/48/63/37/207486337.db2.gz KSNHBAFYACINHV-NQQYONMLSA-N 0 0 353.550 5.569 10 0 FKAERN COc1cc(NC(=S)Nc2ccc(C)c(Cl)c2)c(OC)cc1Cl ZINC000013790501 220094408 /nfs/dbraw/zinc/09/44/08/220094408.db2.gz VHASXHBHACPFQT-UHFFFAOYSA-N 0 0 371.289 5.128 10 0 FKAERN CC(C)(C)c1ccccc1NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000013793961 220094525 /nfs/dbraw/zinc/09/45/25/220094525.db2.gz ULBKLLZPZAQINT-UHFFFAOYSA-N 0 0 353.318 6.100 10 0 FKAERN COC(=O)c1ccccc1-c1ccc(-c2ccc(Br)cc2)cc1 ZINC000013809592 207487857 /nfs/dbraw/zinc/48/78/57/207487857.db2.gz PYFSWHDVAVZUTG-UHFFFAOYSA-N 0 0 367.242 5.570 10 0 FKAERN CCCCCCC(C)(C)c1ccc(-c2cc(C)ccc2C(C)C)c(O)c1 ZINC000013814026 220095295 /nfs/dbraw/zinc/09/52/95/220095295.db2.gz YQFRRDSIYIWKEE-UHFFFAOYSA-N 0 0 352.562 7.739 10 0 FKAERN C=C(c1ccc(C(=O)OC)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C ZINC000013831397 211061229 /nfs/dbraw/zinc/06/12/29/211061229.db2.gz YNHDHMOGKZWQBF-UHFFFAOYSA-N 0 0 363.501 5.587 10 0 in-vitro FKAERN CCCc1c(C(C)C)nc(C(C)C)c([C@H](C)O)c1-c1ccc(F)cc1O ZINC000013860562 571323137 /nfs/dbraw/zinc/32/31/37/571323137.db2.gz WPUCRISSEKWRQP-AWEZNQCLSA-N 0 0 359.485 5.846 10 0 FKAERN CCCCN(CCCC)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000013946372 571271570 /nfs/dbraw/zinc/27/15/70/571271570.db2.gz RSOPVTNWTRBPCW-UHFFFAOYSA-N 0 0 372.745 5.238 10 0 FKAERN CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2)cc1 ZINC000013981407 220099414 /nfs/dbraw/zinc/09/94/14/220099414.db2.gz QCRWGKKDPMVPSS-UHFFFAOYSA-N 0 0 364.876 5.952 10 0 FKAERN CC(C)c1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000014040035 220103687 /nfs/dbraw/zinc/10/36/87/220103687.db2.gz LTZOLYHBOOQXKG-LBPRGKRZSA-N 0 0 352.261 5.523 10 0 FKAERN CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000014387251 207518832 /nfs/dbraw/zinc/51/88/32/207518832.db2.gz CQJPQUDTDRYJCT-UHFFFAOYSA-N 0 0 372.468 5.088 10 0 FKAERN C[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1ccc(Cl)cc1 ZINC000014388546 220123048 /nfs/dbraw/zinc/12/30/48/220123048.db2.gz WAROWHUTTBFVCJ-SECBINFHSA-N 0 0 373.077 5.247 10 0 FKAERN C[C@H](NC(=O)c1cc(Br)ccc1Cl)c1ccc(Cl)cc1 ZINC000014388548 220123066 /nfs/dbraw/zinc/12/30/66/220123066.db2.gz WAROWHUTTBFVCJ-VIFPVBQESA-N 0 0 373.077 5.247 10 0 FKAERN C[C@@H](NC(=O)c1ccccc1Br)c1ccc(Cl)c(Cl)c1 ZINC000014424902 220124953 /nfs/dbraw/zinc/12/49/53/220124953.db2.gz NWPZEAPACKVEFE-SECBINFHSA-N 0 0 373.077 5.247 10 0 FKAERN C[C@H](NC(=O)c1ccccc1Br)c1ccc(Cl)c(Cl)c1 ZINC000014424903 209591491 /nfs/dbraw/zinc/59/14/91/209591491.db2.gz NWPZEAPACKVEFE-VIFPVBQESA-N 0 0 373.077 5.247 10 0 FKAERN C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1Br ZINC000014425879 211093101 /nfs/dbraw/zinc/09/31/01/211093101.db2.gz JTLYGUVEBFKORP-SECBINFHSA-N 0 0 373.077 5.247 10 0 FKAERN CC(C)CNC(=O)/C=C/CCCCCC/C=C/c1ccc2c(c1)OCO2 ZINC000014658331 291087159 /nfs/dbraw/zinc/08/71/59/291087159.db2.gz DOGZABSTLUIXJO-WGDLNXRISA-N 0 0 357.494 5.098 10 0 biogenic,in-vitro FKAERN Cc1cccc(C(C)C)c1NC(=O)/C=C/c1ccccc1Br ZINC000014739516 220130933 /nfs/dbraw/zinc/13/09/33/220130933.db2.gz XYZNBQFIHHWGMK-VAWYXSNFSA-N 0 0 358.279 5.533 10 0 FKAERN O=C(Oc1ccc(-c2ccccc2)cc1Br)c1cccs1 ZINC000014777294 207527953 /nfs/dbraw/zinc/52/79/53/207527953.db2.gz JKUWUCMCHNCERW-UHFFFAOYSA-N 0 0 359.244 5.397 10 0 FKAERN O=C(Nc1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1Cl ZINC000014783516 211102170 /nfs/dbraw/zinc/10/21/70/211102170.db2.gz MGXUHPVBJIJNGW-UHFFFAOYSA-N 0 0 372.251 5.825 10 0 FKAERN CC(C)(C)c1ccc(C(=O)Nc2cccc(OCc3ccccc3)c2)cc1 ZINC000014783540 220133335 /nfs/dbraw/zinc/13/33/35/220133335.db2.gz VXCMAOPYSHVTIH-UHFFFAOYSA-N 0 0 359.469 5.815 10 0 FKAERN CCCCOc1ccccc1NC(=O)c1ccc(C)c(Br)c1 ZINC000014783908 211103034 /nfs/dbraw/zinc/10/30/34/211103034.db2.gz CKXKMXSNJFSKPV-UHFFFAOYSA-N 0 0 362.267 5.189 10 0 FKAERN CCCCOc1ccccc1NC(=O)c1ccc(OCCC(C)C)cc1 ZINC000014783933 211103055 /nfs/dbraw/zinc/10/30/55/211103055.db2.gz GCAMVCRXQNZKNQ-UHFFFAOYSA-N 0 0 355.478 5.543 10 0 FKAERN CCC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000014784079 211102605 /nfs/dbraw/zinc/10/26/05/211102605.db2.gz JJOGKCBEVDPDED-UHFFFAOYSA-N 0 0 366.288 5.699 10 0 FKAERN CC(C)Oc1ccc(C(=O)Nc2ccccc2OCc2ccccc2)cc1 ZINC000014784224 220133289 /nfs/dbraw/zinc/13/32/89/220133289.db2.gz UCHFQFRQHMZSGK-UHFFFAOYSA-N 0 0 361.441 5.305 10 0 FKAERN CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@@H]21 ZINC000014952787 560227708 /nfs/dbraw/zinc/22/77/08/560227708.db2.gz XAUNJOUEWQWLCP-MMKMLUHNSA-N 0 0 370.577 7.323 10 0 in-vitro FKAERN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N[C@@H](C)CO ZINC000014953150 211105418 /nfs/dbraw/zinc/10/54/18/211105418.db2.gz SQKRUBZPTNJQEM-RRLBHHRISA-N 0 0 361.570 5.629 10 0 FKAERN c1csc(CN2CCc3c4ccccc4[nH]c3[C@H]2C2CCCCC2)n1 ZINC000014954987 211105716 /nfs/dbraw/zinc/10/57/16/211105716.db2.gz QSAXSEXWPIHCHD-OAQYLSRUSA-N 0 0 351.519 5.304 10 0 FKAERN COc1cc(-c2nc(CN(C)[C@@H](C)c3cccs3)c(C)o2)ccc1F ZINC000014962336 211108469 /nfs/dbraw/zinc/10/84/69/211108469.db2.gz SLFHNCMGCKCDCL-LBPRGKRZSA-N 0 0 360.454 5.052 10 0 FKAERN C[C@@H](NC(=O)Nc1cccc2cnccc21)c1ccc(C(F)(F)F)cc1 ZINC000014973609 211108216 /nfs/dbraw/zinc/10/82/16/211108216.db2.gz FIRXVLDQHKDDGB-GFCCVEGCSA-N 0 0 359.351 5.136 10 0 FKAERN Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1nccs1 ZINC000014974222 211108154 /nfs/dbraw/zinc/10/81/54/211108154.db2.gz YNKSQSTVGFMTGU-QFIPXVFZSA-N 0 0 359.498 5.081 10 0 FKAERN Cc1ccc2c(c1)S[C@H](c1ccc3c(c1)OCO3)CCN2CC1CC1 ZINC000014983682 211111313 /nfs/dbraw/zinc/11/13/13/211111313.db2.gz XFXBEHRJZBCUDA-FQEVSTJZSA-N 0 0 353.487 5.177 10 0 FKAERN Cc1ccc2c(c1)S[C@@H](c1ccc3c(c1)OCO3)CCN2CC1CC1 ZINC000014983689 220138152 /nfs/dbraw/zinc/13/81/52/220138152.db2.gz XFXBEHRJZBCUDA-HXUWFJFHSA-N 0 0 353.487 5.177 10 0 FKAERN Brc1cncc(-c2cccc(C3SCCCS3)c2)c1 ZINC000015042823 211114447 /nfs/dbraw/zinc/11/44/47/211114447.db2.gz JPBFXRQTJYRSNC-UHFFFAOYSA-N 0 0 352.322 5.380 10 0 FKAERN N=C1S/C(=C\c2cccc(Oc3ccccc3)c2)C(=O)N1c1ccccc1 ZINC000015052860 211115235 /nfs/dbraw/zinc/11/52/35/211115235.db2.gz MZVMSYMXXWCZLG-SPDSTVKKSA-N 0 0 372.449 5.535 10 0 FKAERN N=C1S/C(=C\c2ccc(-c3ccccc3)cc2)C(=O)N1c1ccccc1 ZINC000015052879 220142297 /nfs/dbraw/zinc/14/22/97/220142297.db2.gz WZYMJTWPFKWSHZ-SPDSTVKKSA-N 0 0 356.450 5.409 10 0 FKAERN Cc1ccc(N2C(=N)S/C(=C\c3ccc(C(C)(C)C)cc3)C2=O)cc1 ZINC000015052966 220142705 /nfs/dbraw/zinc/14/27/05/220142705.db2.gz FAYMIGVTHYCIGZ-FNUYTPMSSA-N 0 0 350.487 5.348 10 0 FKAERN Cc1ccc(N2C(=N)S/C(=C\c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000015052988 220143039 /nfs/dbraw/zinc/14/30/39/220143039.db2.gz QAWBSCWCNSHCKJ-FMVWKBIMSA-N 0 0 363.269 5.357 10 0 FKAERN Cc1ccc(N2C(=N)S/C(=C\c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000015053003 211115148 /nfs/dbraw/zinc/11/51/48/211115148.db2.gz LLDQNRAKPVATAT-IRZHRRCCSA-N 0 0 370.477 5.718 10 0 FKAERN Cc1cccc(N2C(=N)S/C(=C\c3ccc(-c4ccccc4)cc3)C2=O)c1 ZINC000015053122 220142898 /nfs/dbraw/zinc/14/28/98/220142898.db2.gz DSOAXOMJGIXNDP-IRZHRRCCSA-N 0 0 370.477 5.718 10 0 FKAERN Cc1ccccc1N1C(=N)S/C(=C\c2ccc(C(C)(C)C)cc2)C1=O ZINC000015053203 220142970 /nfs/dbraw/zinc/14/29/70/220142970.db2.gz IYBZKZKTMVISHP-FNUYTPMSSA-N 0 0 350.487 5.348 10 0 FKAERN Cc1ccccc1N1C(=N)S/C(=C\c2ccc(-c3ccccc3)cc2)C1=O ZINC000015053242 211115685 /nfs/dbraw/zinc/11/56/85/211115685.db2.gz BPRWSQMXLRXZOS-IRZHRRCCSA-N 0 0 370.477 5.718 10 0 FKAERN CC(C)(C)c1ccc(/C=C2\SC(=N)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000015053326 207541568 /nfs/dbraw/zinc/54/15/68/207541568.db2.gz MOCZLAMHSNZEOB-GAGNZYIBSA-N 0 0 370.905 5.693 10 0 FKAERN CC(=C\c1ccccc1)/C=C1\SC(=N)N(c2ccc(Cl)cc2)C1=O ZINC000015053375 211115260 /nfs/dbraw/zinc/11/52/60/211115260.db2.gz VYOOXHORAVRDQS-PLVGTSMDSA-N 0 0 354.862 5.342 10 0 FKAERN CC(C)(C)c1ccc(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)cc1 ZINC000015053426 211117344 /nfs/dbraw/zinc/11/73/44/211117344.db2.gz PWKCZSWQPGZSAS-GAGNZYIBSA-N 0 0 354.450 5.179 10 0 FKAERN N=C1S/C(=C\c2cccc(Cl)c2Cl)C(=O)N1c1ccc(F)cc1 ZINC000015053449 204598662 /nfs/dbraw/zinc/59/86/62/204598662.db2.gz GANYMBSEDRVNMV-TUQWILOLSA-N 0 0 367.232 5.188 10 0 FKAERN N=C1S/C(=C\c2ccc(-c3ccccc3)cc2)C(=O)N1c1ccc(F)cc1 ZINC000015053458 220143141 /nfs/dbraw/zinc/14/31/41/220143141.db2.gz JERFWJWSHFPBCK-OMSSWJLUSA-N 0 0 374.440 5.548 10 0 FKAERN Cc1ccccc1/C=C1\SC(=N)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000015053876 220143124 /nfs/dbraw/zinc/14/31/24/220143124.db2.gz SHCHPUAIHMNNQO-OSIMKLFKSA-N 0 0 362.376 5.069 10 0 FKAERN N=C1S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000015054065 220142888 /nfs/dbraw/zinc/14/28/88/220142888.db2.gz XDVFWXXQAYELGS-UPCQICKVSA-N 0 0 367.232 5.188 10 0 FKAERN N=C1S/C(=C\c2ccccc2F)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000015054108 207541111 /nfs/dbraw/zinc/54/11/11/207541111.db2.gz XPZWOCLNABJLBK-UPCQICKVSA-N 0 0 367.232 5.188 10 0 FKAERN COc1ccc([C@@H](C)N(C)Cc2nc(-c3ccc(F)cc3F)oc2C)cc1 ZINC000015075009 211119344 /nfs/dbraw/zinc/11/93/44/211119344.db2.gz KPFAESIZDGXLLN-CYBMUJFWSA-N 0 0 372.415 5.130 10 0 FKAERN COc1cccc2c(-c3ccc4cc(C)[nH]c(C)c-4c3=O)c(C)cc(OC)c12 ZINC000015121568 220148210 /nfs/dbraw/zinc/14/82/10/220148210.db2.gz JTZHYHRJMAAGGY-UHFFFAOYSA-N 0 0 373.452 5.703 10 0 FKAERN COc1ccc2c3cc(C)c(O)cc3[nH]c2c1C/C=C(\C)CCC=C(C)C ZINC000015206001 220149269 /nfs/dbraw/zinc/14/92/69/220149269.db2.gz OFHARTBNOLXMFZ-CXUHLZMHSA-N 0 0 363.501 6.579 10 0 FKAERN COc1cc2[nH]c3c(ccc(O)c3C/C=C(\C)CCC=C(C)C)c2cc1C ZINC000015206004 206313932 /nfs/dbraw/zinc/31/39/32/206313932.db2.gz RTEIBQDXHHQYRJ-CXUHLZMHSA-N 0 0 363.501 6.579 10 0 endogenous,in-man FKAERN COc1ccc(-c2oc(-c3ccc(OC)c(OC)c3)c(C)c2C)cc1OC ZINC000015222307 210181658 /nfs/dbraw/zinc/18/16/58/210181658.db2.gz XNUMJZSIIZPBPX-UHFFFAOYSA-N 0 0 368.429 5.265 10 0 FKAERN C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl ZINC000015496283 206315206 /nfs/dbraw/zinc/31/52/06/206315206.db2.gz AULHVAPKHCFEKH-GFCCVEGCSA-N 0 0 361.272 5.285 10 0 FKAERN C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl ZINC000015496284 220155111 /nfs/dbraw/zinc/15/51/11/220155111.db2.gz AULHVAPKHCFEKH-LBPRGKRZSA-N 0 0 361.272 5.285 10 0 FKAERN O=c1c2ccccc2nc(/C=C\c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000015636569 220158115 /nfs/dbraw/zinc/15/81/15/220158115.db2.gz HLCKDZFHAISPIZ-QINSGFPZSA-N 0 0 358.828 5.210 10 0 FKAERN Cc1[nH]c2ccc(C(=O)Nc3ccc(C)cc3Br)cc2c1C ZINC000015737781 220164389 /nfs/dbraw/zinc/16/43/89/220164389.db2.gz DDGQFHXBGHCOEO-UHFFFAOYSA-N 0 0 357.251 5.108 10 0 FKAERN O=C(NCc1cccs1)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000015865023 571139560 /nfs/dbraw/zinc/13/95/60/571139560.db2.gz LDEQTYKKVLQJCV-UHFFFAOYSA-N 0 0 368.845 5.140 10 0 FKAERN COc1ccc(CC(=O)Nc2cccc(-c3cc4cc(F)ccc4[nH]3)c2)cc1 ZINC000015868408 211149731 /nfs/dbraw/zinc/14/97/31/211149731.db2.gz KTLQCNJZHHAQCR-UHFFFAOYSA-N 0 0 374.415 5.164 10 0 FKAERN C[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccc(Cl)cc1Cl ZINC000015997217 211152199 /nfs/dbraw/zinc/15/21/99/211152199.db2.gz BHLBLFWGPDLHRL-ZETCQYMHSA-N 0 0 364.606 5.416 10 0 FKAERN C[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000015997250 220174384 /nfs/dbraw/zinc/17/43/84/220174384.db2.gz MXCQBDYJLCHTCM-SSDOTTSWSA-N 0 0 364.059 5.186 10 0 FKAERN C[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000015997251 220174792 /nfs/dbraw/zinc/17/47/92/220174792.db2.gz MXCQBDYJLCHTCM-ZETCQYMHSA-N 0 0 364.059 5.186 10 0 FKAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1F ZINC000015997415 220174746 /nfs/dbraw/zinc/17/47/46/220174746.db2.gz KJGJUFWSKQMKIJ-QMMMGPOBSA-N 0 0 362.615 5.192 10 0 FKAERN C[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1ccccc1Cl ZINC000016017716 220175349 /nfs/dbraw/zinc/17/53/49/220175349.db2.gz YPRMSCWDRHJMRK-SECBINFHSA-N 0 0 373.077 5.247 10 0 FKAERN C[C@H](NC(=O)c1cc(Br)ccc1Cl)c1ccccc1Cl ZINC000016017717 220175415 /nfs/dbraw/zinc/17/54/15/220175415.db2.gz YPRMSCWDRHJMRK-VIFPVBQESA-N 0 0 373.077 5.247 10 0 FKAERN C[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1cccc(Cl)c1 ZINC000016018244 206317923 /nfs/dbraw/zinc/31/79/23/206317923.db2.gz SAAMKMPYSGLRKK-SECBINFHSA-N 0 0 373.077 5.247 10 0 FKAERN COc1ccccc1NC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000016030571 204629902 /nfs/dbraw/zinc/62/99/02/204629902.db2.gz SAAJCMQJPMREBZ-VQHVLOKHSA-N 0 0 355.743 5.019 10 0 FKAERN CCOC(=O)c1c(C)n(Cc2cccc3ccccc32)c2ccc(O)cc21 ZINC000016683040 570860587 /nfs/dbraw/zinc/86/05/87/570860587.db2.gz DILOKTJZKNZPFS-UHFFFAOYSA-N 0 0 359.425 5.034 10 0 FKAERN CCCCCSc1nc(-c2ccccc2)nc(C)c1Cc1ccccc1 ZINC000016808418 220194692 /nfs/dbraw/zinc/19/46/92/220194692.db2.gz NCEDWBVXBHDXBO-UHFFFAOYSA-N 0 0 362.542 6.325 10 0 FKAERN Cc1nc(-c2ccccc2)nc(SCCC(C)C)c1Cc1ccccc1 ZINC000016808420 220194492 /nfs/dbraw/zinc/19/44/92/220194492.db2.gz DNZTXYRQAWRSNN-UHFFFAOYSA-N 0 0 362.542 6.181 10 0 FKAERN COc1ccc(NC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000016890229 211169665 /nfs/dbraw/zinc/16/96/65/211169665.db2.gz IFRGGHXVAPFSAR-UHFFFAOYSA-N 0 0 359.838 5.116 10 0 FKAERN Cc1cc(C)c(C2=NN(c3c(C)cc(C)cc3C)[C@@H]3C=CC=CN23)c(C)c1 ZINC000016923782 203923724 /nfs/dbraw/zinc/92/37/24/203923724.db2.gz FNTVPFRNTWYMBL-OAQYLSRUSA-N 0 0 357.501 5.431 10 0 FKAERN O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(/Cl)SCc1ccccc1 ZINC000017249708 211183428 /nfs/dbraw/zinc/18/34/28/211183428.db2.gz BDZVOXQORILTKA-LUAWRHEFSA-N 0 0 359.061 5.490 10 0 FKAERN Cc1nc2ccccc2c(C)c1CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000017962613 220220676 /nfs/dbraw/zinc/22/06/76/220220676.db2.gz RXVSHOOTFUTDDX-QGZVFWFLSA-N 0 0 368.480 5.425 10 0 FKAERN Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000017962614 220220169 /nfs/dbraw/zinc/22/01/69/220220169.db2.gz RXVSHOOTFUTDDX-KRWDZBQOSA-N 0 0 368.480 5.425 10 0 FKAERN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1Br ZINC000017964575 220220589 /nfs/dbraw/zinc/22/05/89/220220589.db2.gz GMDGDWGSOXKNFF-SECBINFHSA-N 0 0 373.077 5.247 10 0 FKAERN C[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1Br ZINC000017964577 204657957 /nfs/dbraw/zinc/65/79/57/204657957.db2.gz GMDGDWGSOXKNFF-VIFPVBQESA-N 0 0 373.077 5.247 10 0 FKAERN COc1ccc(-c2c/c(=N/CCc3ccccc3)c3cc(C)ccc3o2)cc1 ZINC000018140380 209606584 /nfs/dbraw/zinc/60/65/84/209606584.db2.gz MFSIZHOIUMUUCK-RWEWTDSWSA-N 0 0 369.464 5.560 10 0 FKAERN COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2cc3ccccc3o2)c(O)c1 ZINC000018209073 220227752 /nfs/dbraw/zinc/22/77/52/220227752.db2.gz LWKCIPORVGAZTO-UHFFFAOYSA-N 0 0 374.318 5.223 10 0 FKAERN Cc1ccc(N[C@H](C)c2ccc(Cl)cc2Cl)c(Br)c1 ZINC000019230765 206324475 /nfs/dbraw/zinc/32/44/75/206324475.db2.gz MRIWZOYAGODIAQ-SNVBAGLBSA-N 0 0 359.094 6.237 10 0 FKAERN Cc1ccc(N[C@@H](C)c2ccc(Cl)cc2Cl)c(Br)c1 ZINC000019230766 206325076 /nfs/dbraw/zinc/32/50/76/206325076.db2.gz MRIWZOYAGODIAQ-JTQLQIEISA-N 0 0 359.094 6.237 10 0 FKAERN COc1cccc(CN(C)Cc2nc(-c3cccc4ccccc43)oc2C)c1 ZINC000019731482 220292662 /nfs/dbraw/zinc/29/26/62/220292662.db2.gz IAVPVDJSLAVAAR-UHFFFAOYSA-N 0 0 372.468 5.444 10 0 FKAERN Nc1ccccc1OCCCCCCCCCCOc1ccccc1N ZINC000019893422 527529438 /nfs/dbraw/zinc/52/94/38/527529438.db2.gz NQZKCRJCIVGXEC-UHFFFAOYSA-N 0 0 356.510 5.430 10 0 FKAERN CC[C@@H](Nc1ccc(OC)cc1OC)c1ccc(Br)cc1 ZINC000019903445 220303714 /nfs/dbraw/zinc/30/37/14/220303714.db2.gz DLRPEKRTDGHWDP-OAHLLOKOSA-N 0 0 350.256 5.030 10 0 FKAERN CC[C@H](Nc1ccc(OC)cc1OC)c1ccc(Br)cc1 ZINC000019903446 220303952 /nfs/dbraw/zinc/30/39/52/220303952.db2.gz DLRPEKRTDGHWDP-HNNXBMFYSA-N 0 0 350.256 5.030 10 0 FKAERN CC[C@@H](Nc1ccc(OC)c(OC)c1)c1ccc(Br)cc1 ZINC000019908768 206328646 /nfs/dbraw/zinc/32/86/46/206328646.db2.gz CZABKCGUVRGURS-OAHLLOKOSA-N 0 0 350.256 5.030 10 0 FKAERN CC[C@H](Nc1ccc(OC)c(OC)c1)c1ccc(Br)cc1 ZINC000019908771 220303255 /nfs/dbraw/zinc/30/32/55/220303255.db2.gz CZABKCGUVRGURS-HNNXBMFYSA-N 0 0 350.256 5.030 10 0 FKAERN CC[C@@H](Nc1cc(OC)cc(OC)c1)c1ccc(Br)cc1 ZINC000019909648 206327471 /nfs/dbraw/zinc/32/74/71/206327471.db2.gz ZRSWLTDCMVJJJN-QGZVFWFLSA-N 0 0 350.256 5.030 10 0 FKAERN CC[C@H](Nc1cc(OC)cc(OC)c1)c1ccc(Br)cc1 ZINC000019909651 220303794 /nfs/dbraw/zinc/30/37/94/220303794.db2.gz ZRSWLTDCMVJJJN-KRWDZBQOSA-N 0 0 350.256 5.030 10 0 FKAERN CC[C@@H](Nc1cc(OC)ccc1OC)c1ccc(Br)cc1 ZINC000019910667 220304990 /nfs/dbraw/zinc/30/49/90/220304990.db2.gz ORGGEAZJFMUALP-OAHLLOKOSA-N 0 0 350.256 5.030 10 0 FKAERN CC[C@H](Nc1cc(OC)ccc1OC)c1ccc(Br)cc1 ZINC000019910670 220305114 /nfs/dbraw/zinc/30/51/14/220305114.db2.gz ORGGEAZJFMUALP-HNNXBMFYSA-N 0 0 350.256 5.030 10 0 FKAERN CCCCC1CCC(C(=O)Nc2ccc(Br)cc2C)CC1 ZINC000019989494 209613175 /nfs/dbraw/zinc/61/31/75/209613175.db2.gz CDUXPQZOKMJZGA-UHFFFAOYSA-N 0 0 352.316 5.693 10 0 FKAERN CCCCC1CCC(C(=O)Nc2sc(C)c(C)c2C(=O)OCC)CC1 ZINC000019993881 220308628 /nfs/dbraw/zinc/30/86/28/220308628.db2.gz SCJRQJWXFFTFKG-UHFFFAOYSA-N 0 0 365.539 5.477 10 0 FKAERN Cc1cc(Br)ccc1NCc1cc(F)ccc1Br ZINC000019998294 211264305 /nfs/dbraw/zinc/26/43/05/211264305.db2.gz RAPFJMCQJBNWPH-UHFFFAOYSA-N 0 0 373.063 5.271 10 0 FKAERN FC(F)(F)c1cc(Cl)ccc1NCc1ccc(Br)o1 ZINC000020001328 220309069 /nfs/dbraw/zinc/30/90/69/220309069.db2.gz FLYKPGZNDPCIMR-UHFFFAOYSA-N 0 0 354.553 5.326 10 0 FKAERN Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000020002970 211264397 /nfs/dbraw/zinc/26/43/97/211264397.db2.gz WYNVUQPTFLVNQW-UHFFFAOYSA-N 0 0 356.057 5.099 10 0 FKAERN CCOC(=O)c1c(NC(=O)C(CC)CC)sc(C)c1-c1ccccc1 ZINC000020159837 571328305 /nfs/dbraw/zinc/32/83/05/571328305.db2.gz SWHDWRNTMTWDCT-UHFFFAOYSA-N 0 0 359.491 5.275 10 0 FKAERN Clc1cccc(Nc2ncnc3sc4c(c32)CCCC4)c1Cl ZINC000020161760 263378842 /nfs/dbraw/zinc/37/88/42/263378842.db2.gz LPAUQIZCWASPGJ-UHFFFAOYSA-N 0 0 350.274 5.621 10 0 FKAERN CCc1ccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccc(CC)cc2)cc1 ZINC000020192270 523922177 /nfs/dbraw/zinc/92/21/77/523922177.db2.gz ITPYXIKITYPVLG-QFIPXVFZSA-N 0 0 366.505 5.025 10 0 FKAERN CCc1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(CC)cc2)cc1 ZINC000020192274 523922374 /nfs/dbraw/zinc/92/23/74/523922374.db2.gz ITPYXIKITYPVLG-JOCHJYFZSA-N 0 0 366.505 5.025 10 0 FKAERN Fc1ccc(OCc2c(Cl)cccc2Cl)c(Br)c1 ZINC000020297882 211272249 /nfs/dbraw/zinc/27/22/49/211272249.db2.gz WHCFGWFJHHMABR-UHFFFAOYSA-N 0 0 350.014 5.474 10 0 FKAERN N=C1c2ccccc2CN1c1c(Cl)cc(Br)cc1Cl ZINC000020303744 220320418 /nfs/dbraw/zinc/32/04/18/220320418.db2.gz OOONQYGWVWBKRH-UHFFFAOYSA-N 0 0 356.050 5.101 10 0 FKAERN Cc1sc2ncnc(Nc3ccccc3O)c2c1-c1ccc(F)cc1 ZINC000020321506 211275779 /nfs/dbraw/zinc/27/57/79/211275779.db2.gz OCEMBDAGRMZCRM-UHFFFAOYSA-N 0 0 351.406 5.255 10 0 FKAERN Oc1ccc(Nc2ncnc3scc(-c4ccc5c(c4)CCCC5)c32)cc1 ZINC000020323466 211275766 /nfs/dbraw/zinc/27/57/66/211275766.db2.gz GVVFKQGDFXBVCA-UHFFFAOYSA-N 0 0 373.481 5.686 10 0 FKAERN Cc1cc(C)n(C(=O)CSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 ZINC000020352972 524500069 /nfs/dbraw/zinc/50/00/69/524500069.db2.gz CVWGEVJMNCSKHA-UHFFFAOYSA-N 0 0 374.550 5.233 10 0 FKAERN C[C@H](Nc1ccccc1I)c1ccccc1Cl ZINC000020358616 211277012 /nfs/dbraw/zinc/27/70/12/211277012.db2.gz DOIIBDJJLFNOOK-JTQLQIEISA-N 0 0 357.622 5.118 10 0 FKAERN Ic1ccccc1NCc1ccc2ccccc2c1 ZINC000020360880 220323804 /nfs/dbraw/zinc/32/38/04/220323804.db2.gz NDNKIHCRQVRABB-UHFFFAOYSA-N 0 0 359.210 5.057 10 0 FKAERN CC(C)(C)c1ccc(CNc2ccc(I)cc2)cc1 ZINC000020360972 206330324 /nfs/dbraw/zinc/33/03/24/206330324.db2.gz RJMDGCUCTBFDCS-UHFFFAOYSA-N 0 0 365.258 5.201 10 0 FKAERN CC(C)(C)c1ccc(CNc2cccc(I)c2)cc1 ZINC000020361317 206330308 /nfs/dbraw/zinc/33/03/08/206330308.db2.gz UPLPCEXEZWVUBX-UHFFFAOYSA-N 0 0 365.258 5.201 10 0 FKAERN CC(C)c1ccc(CNc2cccc(I)c2)cc1 ZINC000020361328 211277669 /nfs/dbraw/zinc/27/76/69/211277669.db2.gz GCQRWTBUBPBWAG-UHFFFAOYSA-N 0 0 351.231 5.027 10 0 FKAERN Cc1ccccc1NC(=S)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000020418874 570915519 /nfs/dbraw/zinc/91/55/19/570915519.db2.gz DHGJBPPIYDAOCM-UHFFFAOYSA-N 0 0 354.450 5.126 10 0 FKAERN C[C@H](Nc1ccc(F)cc1Br)c1ccc(Cl)c(Cl)c1 ZINC000020430336 206332293 /nfs/dbraw/zinc/33/22/93/206332293.db2.gz HABBCGVATRCAGX-QMMMGPOBSA-N 0 0 363.057 6.068 10 0 FKAERN C[C@@H](Nc1ccc(F)cc1Br)c1ccccc1Br ZINC000020430509 204722693 /nfs/dbraw/zinc/72/26/93/204722693.db2.gz VYHNFGZVYRRSHI-SECBINFHSA-N 0 0 373.063 5.524 10 0 FKAERN C[C@H](Nc1ccc(F)cc1Br)c1ccccc1Br ZINC000020430510 211279180 /nfs/dbraw/zinc/27/91/80/211279180.db2.gz VYHNFGZVYRRSHI-VIFPVBQESA-N 0 0 373.063 5.524 10 0 FKAERN Clc1cc(Cl)c(NCc2cc(Br)cs2)cc1Cl ZINC000020475054 211281218 /nfs/dbraw/zinc/28/12/18/211281218.db2.gz JNMQMHUTDKDYCT-UHFFFAOYSA-N 0 0 371.514 6.083 10 0 FKAERN CC(C)c1ccc([C@@H](C)Nc2ccc(I)cc2)cc1 ZINC000020477287 206333734 /nfs/dbraw/zinc/33/37/34/206333734.db2.gz OYKKNUBDHQGWFC-CYBMUJFWSA-N 0 0 365.258 5.588 10 0 FKAERN CC(C)c1ccc([C@H](C)Nc2ccc(I)cc2)cc1 ZINC000020477289 206334662 /nfs/dbraw/zinc/33/46/62/206334662.db2.gz OYKKNUBDHQGWFC-ZDUSSCGKSA-N 0 0 365.258 5.588 10 0 FKAERN Cc1cc(C)c([C@@H](C)Nc2ccc(I)cc2)c(C)c1 ZINC000020477503 220328386 /nfs/dbraw/zinc/32/83/86/220328386.db2.gz SBUDZHVQOBIXTO-CQSZACIVSA-N 0 0 365.258 5.390 10 0 FKAERN Cc1cc(C)c([C@H](C)Nc2ccc(I)cc2)c(C)c1 ZINC000020477505 206333553 /nfs/dbraw/zinc/33/35/53/206333553.db2.gz SBUDZHVQOBIXTO-AWEZNQCLSA-N 0 0 365.258 5.390 10 0 FKAERN CC[C@@H](Nc1ccc(I)cc1)c1cccc(Cl)c1 ZINC000020477675 211282396 /nfs/dbraw/zinc/28/23/96/211282396.db2.gz TZHADYAGMBYWGE-OAHLLOKOSA-N 0 0 371.649 5.508 10 0 FKAERN Cc1cc([C@@H](C)Nc2cccc(I)c2)c(C)s1 ZINC000020478242 211281321 /nfs/dbraw/zinc/28/13/21/211281321.db2.gz NOJRLMBJUAQAKG-SNVBAGLBSA-N 0 0 357.260 5.143 10 0 FKAERN CCC[C@@H](Nc1cccc(I)c1)c1ccccc1 ZINC000020478420 220327838 /nfs/dbraw/zinc/32/78/38/220327838.db2.gz GGJJBFZLNOAYDB-MRXNPFEDSA-N 0 0 351.231 5.245 10 0 FKAERN CCC[C@H](Nc1cccc(I)c1)c1ccccc1 ZINC000020478422 211282325 /nfs/dbraw/zinc/28/23/25/211282325.db2.gz GGJJBFZLNOAYDB-INIZCTEOSA-N 0 0 351.231 5.245 10 0 FKAERN CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1cccc(I)c1 ZINC000020479177 220327383 /nfs/dbraw/zinc/32/73/83/220327383.db2.gz DTAZXERIIQFXOO-CABCVRRESA-N 0 0 357.279 5.308 10 0 FKAERN CC(C)(C)[C@H]1CCCC[C@@H]1Nc1cccc(I)c1 ZINC000020479180 220327367 /nfs/dbraw/zinc/32/73/67/220327367.db2.gz DTAZXERIIQFXOO-GJZGRUSLSA-N 0 0 357.279 5.308 10 0 FKAERN CC(C)(C)[C@@H]1CCCC[C@H]1Nc1cccc(I)c1 ZINC000020479184 220327823 /nfs/dbraw/zinc/32/78/23/220327823.db2.gz DTAZXERIIQFXOO-HUUCEWRRSA-N 0 0 357.279 5.308 10 0 FKAERN CC(C)(C)[C@H]1CCCC[C@H]1Nc1cccc(I)c1 ZINC000020479188 211281055 /nfs/dbraw/zinc/28/10/55/211281055.db2.gz DTAZXERIIQFXOO-LSDHHAIUSA-N 0 0 357.279 5.308 10 0 FKAERN CC(C)(C)C1CCC(Nc2cccc(I)c2)CC1 ZINC000020479213 220328174 /nfs/dbraw/zinc/32/81/74/220328174.db2.gz WBQVABUMFDAEQV-UHFFFAOYSA-N 0 0 357.279 5.308 10 0 FKAERN Cc1cc([C@@H](C)Nc2ccccc2I)c(C)s1 ZINC000020479643 220328366 /nfs/dbraw/zinc/32/83/66/220328366.db2.gz FIGBDRDVBGFOHX-SNVBAGLBSA-N 0 0 357.260 5.143 10 0 FKAERN CC(C)c1ccc([C@@H](C)Nc2ccccc2I)cc1 ZINC000020479834 220328214 /nfs/dbraw/zinc/32/82/14/220328214.db2.gz AGBCNVWFUZKFTI-CYBMUJFWSA-N 0 0 365.258 5.588 10 0 FKAERN CC(C)c1ccc([C@H](C)Nc2ccccc2I)cc1 ZINC000020479835 206333822 /nfs/dbraw/zinc/33/38/22/206333822.db2.gz AGBCNVWFUZKFTI-ZDUSSCGKSA-N 0 0 365.258 5.588 10 0 FKAERN CCCc1ccc([C@@H](C)Nc2ccccc2I)cc1 ZINC000020479937 220327055 /nfs/dbraw/zinc/32/70/55/220327055.db2.gz RBXMDGHXWREIBU-CYBMUJFWSA-N 0 0 365.258 5.417 10 0 FKAERN CCCc1ccc([C@H](C)Nc2ccccc2I)cc1 ZINC000020479938 220327337 /nfs/dbraw/zinc/32/73/37/220327337.db2.gz RBXMDGHXWREIBU-ZDUSSCGKSA-N 0 0 365.258 5.417 10 0 FKAERN Cc1cc(C)c([C@@H](C)Nc2ccccc2I)c(C)c1 ZINC000020479978 220327621 /nfs/dbraw/zinc/32/76/21/220327621.db2.gz KKIDASNAICSIAC-CQSZACIVSA-N 0 0 365.258 5.390 10 0 FKAERN Cc1cc(C)c([C@H](C)Nc2ccccc2I)c(C)c1 ZINC000020479980 220327981 /nfs/dbraw/zinc/32/79/81/220327981.db2.gz KKIDASNAICSIAC-AWEZNQCLSA-N 0 0 365.258 5.390 10 0 FKAERN C[C@H](Nc1ccccc1I)c1ccc(Cl)cc1 ZINC000020480111 211281861 /nfs/dbraw/zinc/28/18/61/211281861.db2.gz JREFESWBIBWLTR-JTQLQIEISA-N 0 0 357.622 5.118 10 0 FKAERN Cc1cc(Br)c(N[C@@H](C)c2cccnc2)c(Br)c1 ZINC000020487424 220329980 /nfs/dbraw/zinc/32/99/80/220329980.db2.gz JHLKHANGBCTIBX-JTQLQIEISA-N 0 0 370.088 5.088 10 0 FKAERN Cc1cc(Br)c(N[C@H](C)c2ccncc2)c(Br)c1 ZINC000020487427 211283052 /nfs/dbraw/zinc/28/30/52/211283052.db2.gz RKWXGBJSHDQXCA-SNVBAGLBSA-N 0 0 370.088 5.088 10 0 FKAERN Cc1cc(Br)c(N[C@H](C)c2ccccn2)c(Br)c1 ZINC000020487431 211283985 /nfs/dbraw/zinc/28/39/85/211283985.db2.gz RQRDJMKUPCHZHS-SNVBAGLBSA-N 0 0 370.088 5.088 10 0 FKAERN Cc1cc(Br)c(N[C@@H](C)c2ccccn2)c(Br)c1 ZINC000020487434 211283090 /nfs/dbraw/zinc/28/30/90/211283090.db2.gz RQRDJMKUPCHZHS-JTQLQIEISA-N 0 0 370.088 5.088 10 0 FKAERN Cc1ccc(CNc2c(Br)cc(C)cc2Br)o1 ZINC000020487560 220329304 /nfs/dbraw/zinc/32/93/04/220329304.db2.gz YXYFQWXYJFZTGK-UHFFFAOYSA-N 0 0 359.061 5.034 10 0 FKAERN Cc1cc(Br)c(NCc2ccccc2C)c(Br)c1 ZINC000020487637 220329849 /nfs/dbraw/zinc/32/98/49/220329849.db2.gz KIXGILLZYIGNJV-UHFFFAOYSA-N 0 0 369.100 5.441 10 0 FKAERN Clc1cc(Cl)c(NCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000020505245 220331819 /nfs/dbraw/zinc/33/18/19/220331819.db2.gz WTAGMLWQXOXFNF-UHFFFAOYSA-N 0 0 355.479 6.566 10 0 FKAERN Clc1cc(Cl)c(NCc2ccc(Br)cc2)c(Cl)c1 ZINC000020505254 207742920 /nfs/dbraw/zinc/74/29/20/207742920.db2.gz QFMOCQDUTHXDLJ-UHFFFAOYSA-N 0 0 365.485 6.021 10 0 FKAERN Cc1cc([C@@H](C)Nc2c(Cl)cc(Br)cc2Cl)c(C)o1 ZINC000020505510 220331413 /nfs/dbraw/zinc/33/14/13/220331413.db2.gz GPLVSKYYMOUGBH-MRVPVSSYSA-N 0 0 363.082 6.139 10 0 FKAERN Cc1cc([C@H](C)Nc2c(Cl)cc(Br)cc2Cl)c(C)o1 ZINC000020505511 206337508 /nfs/dbraw/zinc/33/75/08/206337508.db2.gz GPLVSKYYMOUGBH-QMMMGPOBSA-N 0 0 363.082 6.139 10 0 FKAERN CC[C@@H](Nc1c(Cl)cc(Br)cc1Cl)c1cccs1 ZINC000020505529 211284022 /nfs/dbraw/zinc/28/40/22/211284022.db2.gz KPJDKWKXEOJIQV-LLVKDONJSA-N 0 0 365.123 6.381 10 0 FKAERN CC[C@H](Nc1c(Cl)cc(Br)cc1Cl)c1cccs1 ZINC000020505530 220331486 /nfs/dbraw/zinc/33/14/86/220331486.db2.gz KPJDKWKXEOJIQV-NSHDSACASA-N 0 0 365.123 6.381 10 0 FKAERN C[C@@H](Nc1c(Cl)cc(Br)cc1Cl)c1cccc(F)c1 ZINC000020505585 206337589 /nfs/dbraw/zinc/33/75/89/206337589.db2.gz UPWHOECVBNKVBF-MRVPVSSYSA-N 0 0 363.057 6.068 10 0 FKAERN C[C@H](Nc1c(Cl)cc(Br)cc1Cl)c1cccc(F)c1 ZINC000020505586 220331830 /nfs/dbraw/zinc/33/18/30/220331830.db2.gz UPWHOECVBNKVBF-QMMMGPOBSA-N 0 0 363.057 6.068 10 0 FKAERN C[C@@H](Nc1c(Cl)cc(Br)cc1Cl)c1cccc(O)c1 ZINC000020505627 220331662 /nfs/dbraw/zinc/33/16/62/220331662.db2.gz VEXKNQVGSNHFCF-MRVPVSSYSA-N 0 0 361.066 5.635 10 0 FKAERN C[C@H](Nc1c(Cl)cc(Br)cc1Cl)c1cccc(O)c1 ZINC000020505628 209621317 /nfs/dbraw/zinc/62/13/17/209621317.db2.gz VEXKNQVGSNHFCF-QMMMGPOBSA-N 0 0 361.066 5.635 10 0 FKAERN C[C@@H](Nc1c(Cl)cc(Br)cc1Cl)c1ccc(O)cc1 ZINC000020505697 220331061 /nfs/dbraw/zinc/33/10/61/220331061.db2.gz OBJHPJPJRWRDNT-MRVPVSSYSA-N 0 0 361.066 5.635 10 0 FKAERN C[C@H](Nc1c(Cl)cc(Br)cc1Cl)c1ccc(O)cc1 ZINC000020505698 220330843 /nfs/dbraw/zinc/33/08/43/220330843.db2.gz OBJHPJPJRWRDNT-QMMMGPOBSA-N 0 0 361.066 5.635 10 0 FKAERN CC[C@H](Nc1c(Cl)cc(Br)cc1Cl)c1ccccc1 ZINC000020505700 209621476 /nfs/dbraw/zinc/62/14/76/209621476.db2.gz OEHBUSJCSGJDFV-AWEZNQCLSA-N 0 0 359.094 6.319 10 0 FKAERN Fc1ccc(CNc2c(Cl)cc(Br)cc2Cl)cc1F ZINC000020505751 220330559 /nfs/dbraw/zinc/33/05/59/220330559.db2.gz CASQEKBBZULLBJ-UHFFFAOYSA-N 0 0 367.020 5.646 10 0 FKAERN COc1ccccc1CNc1c(Cl)cc(Br)cc1Cl ZINC000020505759 220330886 /nfs/dbraw/zinc/33/08/86/220330886.db2.gz ULHIEMNDKIXXQE-UHFFFAOYSA-N 0 0 361.066 5.377 10 0 FKAERN Clc1ccccc1CNc1c(Cl)cc(Br)cc1Cl ZINC000020505778 211283275 /nfs/dbraw/zinc/28/32/75/211283275.db2.gz ZARTWOIMFLORNG-UHFFFAOYSA-N 0 0 365.485 6.021 10 0 FKAERN CCc1ccc(CNc2c(Cl)cc(Br)cc2Cl)s1 ZINC000020505883 220331494 /nfs/dbraw/zinc/33/14/94/220331494.db2.gz PGRSBVSEGXNKAK-UHFFFAOYSA-N 0 0 365.123 5.992 10 0 FKAERN CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2nccs2)cc1 ZINC000020512682 220331033 /nfs/dbraw/zinc/33/10/33/220331033.db2.gz CITXXHJHXQYUHF-QHCPKHFHSA-N 0 0 373.525 5.335 10 0 FKAERN CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2nccs2)cc1 ZINC000020512687 220331934 /nfs/dbraw/zinc/33/19/34/220331934.db2.gz CITXXHJHXQYUHF-HSZRJFAPSA-N 0 0 373.525 5.335 10 0 FKAERN Clc1ccccc1-c1nnc(SC2CCCCC2)n1-c1ccccc1 ZINC000020530574 570919356 /nfs/dbraw/zinc/91/93/56/570919356.db2.gz CZPSEKDDLIZCIZ-UHFFFAOYSA-N 0 0 369.921 6.013 10 0 FKAERN CC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000020535999 206338760 /nfs/dbraw/zinc/33/87/60/206338760.db2.gz LRDPIBHCDZIAMM-JTQLQIEISA-N 0 0 351.233 5.079 10 0 FKAERN C[C@@H](Nc1ccc(Br)cc1F)c1ccccc1Br ZINC000020545718 207744808 /nfs/dbraw/zinc/74/48/08/207744808.db2.gz DVKDXOZYYIYBRK-SECBINFHSA-N 0 0 373.063 5.524 10 0 FKAERN C[C@H](Nc1ccc(Br)cc1F)c1ccccc1Br ZINC000020545719 220334080 /nfs/dbraw/zinc/33/40/80/220334080.db2.gz DVKDXOZYYIYBRK-VIFPVBQESA-N 0 0 373.063 5.524 10 0 FKAERN Cc1ccc(N[C@H](C)c2cc(Cl)ccc2Cl)c(Br)c1 ZINC000020545937 206340516 /nfs/dbraw/zinc/34/05/16/206340516.db2.gz ZTQWYDOALWGICV-SNVBAGLBSA-N 0 0 359.094 6.237 10 0 FKAERN C[C@@H](Nc1ccc(Br)cc1F)c1cccc(Br)c1 ZINC000020548927 211286240 /nfs/dbraw/zinc/28/62/40/211286240.db2.gz BRKGHYUBNCEWQF-SECBINFHSA-N 0 0 373.063 5.524 10 0 FKAERN C[C@H](Nc1ccc(Br)cc1F)c1cccc(Br)c1 ZINC000020548929 220334028 /nfs/dbraw/zinc/33/40/28/220334028.db2.gz BRKGHYUBNCEWQF-VIFPVBQESA-N 0 0 373.063 5.524 10 0 FKAERN C[C@H](Nc1ccccc1Br)c1ccc(Br)cc1 ZINC000020552849 220334041 /nfs/dbraw/zinc/33/40/41/220334041.db2.gz YDFMUSMVYBWBQN-JTQLQIEISA-N 0 0 355.073 5.385 10 0 FKAERN Cc1cc(Br)ccc1N[C@H](C)c1ccc(Cl)cc1Cl ZINC000020554843 220332430 /nfs/dbraw/zinc/33/24/30/220332430.db2.gz HLJKRFZRJNQBEM-SNVBAGLBSA-N 0 0 359.094 6.237 10 0 FKAERN Cc1cc(Br)ccc1N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000020554845 206341630 /nfs/dbraw/zinc/34/16/30/206341630.db2.gz HLJKRFZRJNQBEM-JTQLQIEISA-N 0 0 359.094 6.237 10 0 FKAERN Clc1cc(Cl)c(NCc2ccccc2Br)cc1Cl ZINC000020559515 220333589 /nfs/dbraw/zinc/33/35/89/220333589.db2.gz GEAWRGVVQKLBLO-UHFFFAOYSA-N 0 0 365.485 6.021 10 0 FKAERN CC1(C)CCC/C(=C\c2ccc(Cl)cc2Cl)[C@@]1(O)Cn1ccnc1 ZINC000020568402 220333882 /nfs/dbraw/zinc/33/38/82/220333882.db2.gz VSEDZPKFLMGOAB-XATQLNLPSA-N 0 0 365.304 5.215 10 0 FKAERN CC1(C)CCC/C(=C\c2ccc(Cl)cc2Cl)[C@]1(O)Cn1ccnc1 ZINC000020568403 220332971 /nfs/dbraw/zinc/33/29/71/220332971.db2.gz VSEDZPKFLMGOAB-JVVYVMHDSA-N 0 0 365.304 5.215 10 0 FKAERN Clc1cccc([C@@H](NC2CCCC2)c2nnc(-c3ccccc3)o2)c1 ZINC000020852543 220343074 /nfs/dbraw/zinc/34/30/74/220343074.db2.gz QXNFZVFXWSRRLZ-GOSISDBHSA-N 0 0 353.853 5.012 10 0 FKAERN Clc1cccc([C@H](NC2CCCC2)c2nnc(-c3ccccc3)o2)c1 ZINC000020852547 220343351 /nfs/dbraw/zinc/34/33/51/220343351.db2.gz QXNFZVFXWSRRLZ-SFHVURJKSA-N 0 0 353.853 5.012 10 0 FKAERN CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)CC1CCCC1 ZINC000020900605 521642916 /nfs/dbraw/zinc/64/29/16/521642916.db2.gz WIPMKZWMEUZWIY-UHFFFAOYSA-N 0 0 370.493 5.214 10 0 FKAERN Cc1ccc(NC(=O)c2ccc(-n3ccc4ccccc43)s2)cc1F ZINC000020986149 211300465 /nfs/dbraw/zinc/30/04/65/211300465.db2.gz JTPCOUJLCRRRMY-UHFFFAOYSA-N 0 0 350.418 5.392 10 0 FKAERN COc1ccc([C@@H](CC(=O)Nc2cc(Cl)ccc2C)n2cccc2)cc1 ZINC000020997478 525171434 /nfs/dbraw/zinc/17/14/34/525171434.db2.gz NRCNITFOYLSKAP-HXUWFJFHSA-N 0 0 368.864 5.077 10 0 FKAERN COc1ccc([C@H](CC(=O)Nc2cc(Cl)ccc2C)n2cccc2)cc1 ZINC000020997480 525344405 /nfs/dbraw/zinc/34/44/05/525344405.db2.gz NRCNITFOYLSKAP-FQEVSTJZSA-N 0 0 368.864 5.077 10 0 FKAERN CC(C)(C)c1ccc(-c2nc3ccc(NC(=O)C(F)(F)F)cc3o2)cc1 ZINC000021002810 210172134 /nfs/dbraw/zinc/17/21/34/210172134.db2.gz DZZKOXPFYLLNJS-UHFFFAOYSA-N 0 0 362.351 5.293 10 0 FKAERN Clc1cc(Cl)c(NCc2cccc(Br)c2)cc1Cl ZINC000021008122 211303317 /nfs/dbraw/zinc/30/33/17/211303317.db2.gz MDZYIOIRHVIKHB-UHFFFAOYSA-N 0 0 365.485 6.021 10 0 FKAERN Cc1ccc(OCc2ccccc2Br)c(Br)c1 ZINC000021012166 220348342 /nfs/dbraw/zinc/34/83/42/220348342.db2.gz BGFVNLROMAGLBP-UHFFFAOYSA-N 0 0 356.057 5.099 10 0 FKAERN C[C@H](Nc1ccc(Br)cc1F)c1ccc(Br)cc1 ZINC000021013890 211304421 /nfs/dbraw/zinc/30/44/21/211304421.db2.gz WAWZTDWASHQZLN-VIFPVBQESA-N 0 0 373.063 5.524 10 0 FKAERN Cc1ccc(OCc2cc(Br)ccc2F)c(Br)c1 ZINC000021018610 211302386 /nfs/dbraw/zinc/30/23/86/211302386.db2.gz QIHDAPKAUQFNCT-UHFFFAOYSA-N 0 0 374.047 5.238 10 0 FKAERN CC[C@@H](Nc1cccc(Cl)c1Cl)c1ccc(Br)cc1 ZINC000021019972 220349776 /nfs/dbraw/zinc/34/97/76/220349776.db2.gz UNHHJVANQHSDFZ-CYBMUJFWSA-N 0 0 359.094 6.319 10 0 FKAERN CC[C@H](Nc1cccc(Cl)c1Cl)c1ccc(Br)cc1 ZINC000021019975 206347281 /nfs/dbraw/zinc/34/72/81/206347281.db2.gz UNHHJVANQHSDFZ-ZDUSSCGKSA-N 0 0 359.094 6.319 10 0 FKAERN COc1ccc(Cl)cc1/C=C/C(=O)Nc1nc2c(cc(C)cc2C)s1 ZINC000021022762 207760471 /nfs/dbraw/zinc/76/04/71/207760471.db2.gz SIINSUFMVXWCAD-QPJJXVBHSA-N 0 0 372.877 5.227 10 0 FKAERN COc1ccc(Cl)cc1/C=C/C(=O)Nc1nc2c(s1)c(C)ccc2C ZINC000021022770 204744780 /nfs/dbraw/zinc/74/47/80/204744780.db2.gz XTQOPSIHEZOUPA-RMKNXTFCSA-N 0 0 372.877 5.227 10 0 FKAERN Cc1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000021023224 220349453 /nfs/dbraw/zinc/34/94/53/220349453.db2.gz NEQJYBFZHVZIIC-XNTDXEJSSA-N 0 0 354.409 5.455 10 0 FKAERN CC[C@@H](C(=O)Nc1ccc2nc(-c3cccc(C)c3)oc2c1)c1ccccc1 ZINC000021027968 220349083 /nfs/dbraw/zinc/34/90/83/220349083.db2.gz XKUXAIRYSSDION-HXUWFJFHSA-N 0 0 370.452 5.936 10 0 FKAERN CC[C@H](C(=O)Nc1ccc2nc(-c3cccc(C)c3)oc2c1)c1ccccc1 ZINC000021027976 204744235 /nfs/dbraw/zinc/74/42/35/204744235.db2.gz XKUXAIRYSSDION-FQEVSTJZSA-N 0 0 370.452 5.936 10 0 FKAERN CCCCC(=O)Nc1ccc2nc(-c3ccc(C(C)(C)C)cc3)oc2c1 ZINC000021027984 211303898 /nfs/dbraw/zinc/30/38/98/211303898.db2.gz VKHVXWFBCFXRSB-UHFFFAOYSA-N 0 0 350.462 5.921 10 0 FKAERN CCOc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4C)oc3c2)cc1 ZINC000021028104 211302917 /nfs/dbraw/zinc/30/29/17/211302917.db2.gz UQFHHWIGAASBRT-UHFFFAOYSA-N 0 0 372.424 5.454 10 0 FKAERN CCOc1ccc(Br)cc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000021125403 211307510 /nfs/dbraw/zinc/30/75/10/211307510.db2.gz IOYTXYQJXCPKJN-UHFFFAOYSA-N 0 0 362.267 5.224 10 0 FKAERN CCOc1ccccc1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C ZINC000021126330 220351727 /nfs/dbraw/zinc/35/17/27/220351727.db2.gz ULZPPWQIWCTJCP-UHFFFAOYSA-N 0 0 371.440 5.189 10 0 FKAERN C/C(=C\c1ccccc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000021141729 207766380 /nfs/dbraw/zinc/76/63/80/207766380.db2.gz JURMEOGGTNCXNB-FOCLMDBBSA-N 0 0 353.425 5.272 10 0 FKAERN Cc1ccc(CCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000021141812 220353534 /nfs/dbraw/zinc/35/35/34/220353534.db2.gz MNLSBSLBPJUCCF-UHFFFAOYSA-N 0 0 355.441 5.110 10 0 FKAERN O=C(C=Cc1ccccc1)Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000021142125 220352710 /nfs/dbraw/zinc/35/27/10/220352710.db2.gz VGSMJIMOMLOAAO-AWNIVKPZSA-N 0 0 373.843 5.535 10 0 FKAERN O=C(/C=C\c1ccc(C(F)(F)F)cc1)/C=C\c1ccc(C(F)(F)F)cc1 ZINC000021299284 571144204 /nfs/dbraw/zinc/14/42/04/571144204.db2.gz OIUBVYQZMUKRRF-CBIKUMSCSA-N 0 0 370.292 6.020 10 0 FKAERN Cc1cccc(NC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)c1 ZINC000021363206 211312730 /nfs/dbraw/zinc/31/27/30/211312730.db2.gz ULQVZYUAYMEABU-UHFFFAOYSA-N 0 0 369.424 5.961 10 0 FKAERN CC[C@@H](Nc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000021503406 211315117 /nfs/dbraw/zinc/31/51/17/211315117.db2.gz OHIKBOSLNKWUOI-OAHLLOKOSA-N 0 0 369.100 5.775 10 0 FKAERN CC[C@H](Nc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000021503408 207772188 /nfs/dbraw/zinc/77/21/88/207772188.db2.gz OHIKBOSLNKWUOI-HNNXBMFYSA-N 0 0 369.100 5.775 10 0 FKAERN Cc1ccc(OCc2ccc(Br)s2)c(Br)c1 ZINC000021520588 206359874 /nfs/dbraw/zinc/35/98/74/206359874.db2.gz KNSAYHUSZGSSAI-UHFFFAOYSA-N 0 0 362.086 5.161 10 0 FKAERN COc1ccc(Nc2cc(C(=O)Nc3ccc(C)cc3)ccn2)cc1Cl ZINC000021533567 211315162 /nfs/dbraw/zinc/31/51/62/211315162.db2.gz PQRZYZUJEWGHGV-UHFFFAOYSA-N 0 0 367.836 5.048 10 0 FKAERN CC(=O)Nc1cccnc1-c1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000021708597 220363103 /nfs/dbraw/zinc/36/31/03/220363103.db2.gz WHQMTVICTQRUCA-UHFFFAOYSA-N 0 0 373.456 5.083 10 0 FKAERN Cc1ccc(NCc2ccc(F)c(Br)c2)c(Br)c1 ZINC000021789287 211324662 /nfs/dbraw/zinc/32/46/62/211324662.db2.gz LJVAQYSGHYNWAK-UHFFFAOYSA-N 0 0 373.063 5.271 10 0 FKAERN CCCCC1CCC(C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000021796356 220367903 /nfs/dbraw/zinc/36/79/03/220367903.db2.gz VNCDUFLAMRUNNX-UHFFFAOYSA-N 0 0 352.316 5.693 10 0 FKAERN Cc1cc(N[C@H](C)c2ccc(Br)cc2)ccc1Br ZINC000021799462 211324645 /nfs/dbraw/zinc/32/46/45/211324645.db2.gz PVTDJOYBWJBOOW-LLVKDONJSA-N 0 0 369.100 5.693 10 0 FKAERN Cc1cc(N[C@@H](C)c2ccc(Br)cc2)ccc1Br ZINC000021799466 220366974 /nfs/dbraw/zinc/36/69/74/220366974.db2.gz PVTDJOYBWJBOOW-NSHDSACASA-N 0 0 369.100 5.693 10 0 FKAERN CC[C@@H](Nc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000021812819 206361956 /nfs/dbraw/zinc/36/19/56/206361956.db2.gz YERGRAOYKIADJW-CQSZACIVSA-N 0 0 359.094 6.319 10 0 FKAERN Cc1ccc(Cl)c(NC(=O)c2ccc(Br)cc2)c1Cl ZINC000021819211 204761719 /nfs/dbraw/zinc/76/17/19/204761719.db2.gz BZSMSVIUUSLSRR-UHFFFAOYSA-N 0 0 359.050 5.317 10 0 FKAERN Cc1cccc(C)c1NC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021935115 571336234 /nfs/dbraw/zinc/33/62/34/571336234.db2.gz HMRDFWGUBAIHSF-UHFFFAOYSA-N 0 0 353.425 5.166 10 0 FKAERN CC(C)(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1 ZINC000021984482 204766298 /nfs/dbraw/zinc/76/62/98/204766298.db2.gz IVEQKIQHNZNLLP-DEOSSOPVSA-N 0 0 354.497 6.340 10 0 FKAERN CC(C)(C)c1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1 ZINC000021984484 220372453 /nfs/dbraw/zinc/37/24/53/220372453.db2.gz IVEQKIQHNZNLLP-XMMPIXPASA-N 0 0 354.497 6.340 10 0 FKAERN COc1ccc(-c2ccc(Br)cc2)cc1OCc1ccccc1 ZINC000021987226 206364187 /nfs/dbraw/zinc/36/41/87/206364187.db2.gz PXLCROSDINLXHH-UHFFFAOYSA-N 0 0 369.258 5.704 10 0 FKAERN COc1ccc(-c2cccc(Br)c2)cc1OCc1ccccc1 ZINC000021987228 220372949 /nfs/dbraw/zinc/37/29/49/220372949.db2.gz YIOHVDPGNIFWEN-UHFFFAOYSA-N 0 0 369.258 5.704 10 0 FKAERN CCCCCC[C@@H](CC(=O)OCC)C(=O)c1ccc(Br)cc1 ZINC000021993475 211335410 /nfs/dbraw/zinc/33/54/10/211335410.db2.gz HGQXTWWQOJLBNL-HNNXBMFYSA-N 0 0 369.299 5.172 10 0 FKAERN Cc1c2cc[nH]c2c(C)c(OCc2ccccc2)c1OCc1ccccc1 ZINC000022001077 220374352 /nfs/dbraw/zinc/37/43/52/220374352.db2.gz WAVCHVOKLORIOO-UHFFFAOYSA-N 0 0 357.453 5.943 10 0 FKAERN O=C(N1CCC[C@H]1c1[nH]c2ccccc2c1-c1ccccc1)C(F)(F)F ZINC000022001100 220374165 /nfs/dbraw/zinc/37/41/65/220374165.db2.gz WAYFMRPVNGHILW-INIZCTEOSA-N 0 0 358.363 5.061 10 0 FKAERN CCCCCCc1noc(-c2ccccc2)c1I ZINC000022011283 220374509 /nfs/dbraw/zinc/37/45/09/220374509.db2.gz ZQYSCSGUFVXWOJ-UHFFFAOYSA-N 0 0 355.219 5.069 10 0 FKAERN ClC1=Nc2ccc(OCc3ccccc3)cc2Sc2ccccc21 ZINC000022051113 220376060 /nfs/dbraw/zinc/37/60/60/220376060.db2.gz JGYFDMFUPVWRGI-UHFFFAOYSA-N 0 0 351.858 6.047 10 0 FKAERN COc1cccc(N(C/C=C/c2ccccc2)C/C=C/c2ccccc2)c1 ZINC000022052437 211337739 /nfs/dbraw/zinc/33/77/39/211337739.db2.gz LTTPOOFFLYDCED-KAVGSWPWSA-N 0 0 355.481 5.928 10 0 in-vitro FKAERN CC/C(=C(/c1ccc(OCC[NH2+]C)cc1)c1cccc(O)c1)c1ccccc1 ZINC000022056273 220375702 /nfs/dbraw/zinc/37/57/02/220375702.db2.gz QPHNKIXIKDPNDI-OCOZRVBESA-N 0 0 373.496 5.360 10 0 in-vitro FKAERN COCc1c(C(C)C)nc(C(C)C)c(C(=O)OC)c1-c1ccc(F)cc1 ZINC000022063040 207796367 /nfs/dbraw/zinc/79/63/67/207796367.db2.gz WLWQAKHXRZNEIY-UHFFFAOYSA-N 0 0 359.441 5.068 10 0 in-vitro FKAERN FC(F)(F)c1cc(Cl)ccc1NCc1ccc(Br)s1 ZINC000022146054 220378399 /nfs/dbraw/zinc/37/83/99/220378399.db2.gz AYKHYZHCGBMNHT-UHFFFAOYSA-N 0 0 370.621 5.795 10 0 FKAERN CCCC[C@@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1C(C)C ZINC000022320944 220382163 /nfs/dbraw/zinc/38/21/63/220382163.db2.gz YMHTZWKKVBTYFQ-IERDGZPVSA-N 0 0 361.526 5.002 10 0 FKAERN CCCC[C@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1C(C)C ZINC000022320948 207803788 /nfs/dbraw/zinc/80/37/88/207803788.db2.gz YMHTZWKKVBTYFQ-KKSFZXQISA-N 0 0 361.526 5.002 10 0 FKAERN CCCC[C@@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1C(C)C ZINC000022320952 211347079 /nfs/dbraw/zinc/34/70/79/211347079.db2.gz YMHTZWKKVBTYFQ-IIBYNOLFSA-N 0 0 361.526 5.002 10 0 FKAERN CCCC[C@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1C(C)C ZINC000022320957 204774644 /nfs/dbraw/zinc/77/46/44/204774644.db2.gz YMHTZWKKVBTYFQ-HRAATJIYSA-N 0 0 361.526 5.002 10 0 FKAERN C[C@@H](NC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)on1)C(C)(C)C ZINC000022344072 211348460 /nfs/dbraw/zinc/34/84/60/211348460.db2.gz ZQTWWOPTTLLRGC-OAHLLOKOSA-N 0 0 354.494 5.554 10 0 FKAERN CC(C)C[C@@H](C)NC(=O)c1cc(N(C)C2CCCCC2)nc2ccccc21 ZINC000022622531 207814778 /nfs/dbraw/zinc/81/47/78/207814778.db2.gz ZASJDEAVNCEXEX-QGZVFWFLSA-N 0 0 367.537 5.168 10 0 FKAERN CC(C)C[C@H](C)NC(=O)c1cc(N(C)C2CCCCC2)nc2ccccc21 ZINC000022622533 207814841 /nfs/dbraw/zinc/81/48/41/207814841.db2.gz ZASJDEAVNCEXEX-KRWDZBQOSA-N 0 0 367.537 5.168 10 0 FKAERN C[C@H]1CCCCN1C(=O)c1cc(N(C)C2CCCCC2)nc2ccccc21 ZINC000022629041 220393293 /nfs/dbraw/zinc/39/32/93/220393293.db2.gz ZLVKCJWCVPFQKN-KRWDZBQOSA-N 0 0 365.521 5.018 10 0 FKAERN O=C(NC[C@@H]1CCCO1)c1ccc(-c2ccc(C3CCCCC3)cc2)s1 ZINC000022629991 220392810 /nfs/dbraw/zinc/39/28/10/220392810.db2.gz MVFYCPAKJFCAKW-IBGZPJMESA-N 0 0 369.530 5.372 10 0 FKAERN O=C(NC[C@H]1CCCO1)c1ccc(-c2ccc(C3CCCCC3)cc2)s1 ZINC000022629994 211359456 /nfs/dbraw/zinc/35/94/56/211359456.db2.gz MVFYCPAKJFCAKW-LJQANCHMSA-N 0 0 369.530 5.372 10 0 FKAERN CCCN(CC1CC1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000022638159 220393272 /nfs/dbraw/zinc/39/32/72/220393272.db2.gz DDYLWCKSVAFFRY-UHFFFAOYSA-N 0 0 367.436 5.696 10 0 FKAERN CCCCn1c(=O)c2ccccc2nc1-c1ccc(F)cc1C(F)(F)F ZINC000022640039 211359484 /nfs/dbraw/zinc/35/94/84/211359484.db2.gz MIICTQALXWDUQF-UHFFFAOYSA-N 0 0 364.342 5.022 10 0 FKAERN CC[C@@H](C)C(=O)N(Cc1nc2cc(C)ccc2o1)Cc1ccc(C)cc1 ZINC000022652888 207816251 /nfs/dbraw/zinc/81/62/51/207816251.db2.gz OHLZNFMLJFXTJN-QGZVFWFLSA-N 0 0 350.462 5.020 10 0 FKAERN CC[C@H](C)C(=O)N(Cc1nc2cc(C)ccc2o1)Cc1ccc(C)cc1 ZINC000022652892 570621887 /nfs/dbraw/zinc/62/18/87/570621887.db2.gz OHLZNFMLJFXTJN-KRWDZBQOSA-N 0 0 350.462 5.020 10 0 FKAERN COc1ccc(OCc2nc(CSCCc3ccccc3)cs2)cc1 ZINC000022658526 220394153 /nfs/dbraw/zinc/39/41/53/220394153.db2.gz AYRPHIUXVQRYAZ-UHFFFAOYSA-N 0 0 371.527 5.207 10 0 FKAERN COc1ccc(OCc2nc(CSCc3ccc(C)cc3)cs2)cc1 ZINC000022664295 207816206 /nfs/dbraw/zinc/81/62/06/207816206.db2.gz VCRVBOBVYQAGBY-UHFFFAOYSA-N 0 0 371.527 5.473 10 0 FKAERN CCOc1ccc(-c2ccc(C(=O)N(C)Cc3ccccc3)s2)cc1 ZINC000022669733 570948162 /nfs/dbraw/zinc/94/81/62/570948162.db2.gz UBCRLDPZPIRARG-UHFFFAOYSA-N 0 0 351.471 5.086 10 0 FKAERN COc1ccc(CNC(=O)c2ccc(-c3cccc(Cl)c3)s2)cc1 ZINC000022671027 211359995 /nfs/dbraw/zinc/35/99/95/211359995.db2.gz OPUSOYRBDYTEQI-UHFFFAOYSA-N 0 0 357.862 5.007 10 0 FKAERN C/C=C(\C)C(=O)Nc1ccc(-c2cccc(-c3cccc(OC)c3)n2)cc1 ZINC000022674419 570661871 /nfs/dbraw/zinc/66/18/71/570661871.db2.gz FEDOIMXGFKJSFG-AYSLTRBKSA-N 0 0 358.441 5.329 10 0 FKAERN COc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCCCC2)cc1 ZINC000022757185 220397043 /nfs/dbraw/zinc/39/70/43/220397043.db2.gz YJEXGPDYVPNFMT-UHFFFAOYSA-N 0 0 371.868 5.360 10 0 FKAERN Cc1cccc(N(C(=O)Nc2cccc(Cl)c2)C2=NCCCCC2)c1 ZINC000022757476 211363425 /nfs/dbraw/zinc/36/34/25/211363425.db2.gz PXKYJKJVBYDUFL-UHFFFAOYSA-N 0 0 355.869 5.659 10 0 FKAERN Cc1cccc(/N=c2\scc(-c3ccc(Cl)cc3)n2CCCO)c1C ZINC000022855890 211366456 /nfs/dbraw/zinc/36/64/56/211366456.db2.gz AWNGUWRHRCPVTJ-XDOYNYLZSA-N 0 0 372.921 5.102 10 0 FKAERN Clc1ccc(Cc2nc(CSc3ncccn3)cs2)cc1Cl ZINC000023304073 211381846 /nfs/dbraw/zinc/38/18/46/211381846.db2.gz BTNKVDVYMATVAC-UHFFFAOYSA-N 0 0 368.314 5.123 10 0 FKAERN CCOc1ccc(-c2ccc(C(=O)NCc3ccc(Cl)cc3)s2)cc1 ZINC000023304568 211381981 /nfs/dbraw/zinc/38/19/81/211381981.db2.gz DIIPDVGANUVUCO-UHFFFAOYSA-N 0 0 371.889 5.397 10 0 FKAERN O=C(NC1CCCC1)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023304821 570472231 /nfs/dbraw/zinc/47/22/31/570472231.db2.gz BUDVFJMWBABAKR-UHFFFAOYSA-N 0 0 363.482 5.880 10 0 FKAERN C[C@H]1CCCN1C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023307225 211382128 /nfs/dbraw/zinc/38/21/28/211382128.db2.gz GVLRQZHFSWQWFN-INIZCTEOSA-N 0 0 363.482 5.832 10 0 FKAERN CCC(CC)C(=O)Nc1cccc(-c2cccc(-c3ccc(OC)cc3)n2)c1 ZINC000023308284 211383497 /nfs/dbraw/zinc/38/34/97/211383497.db2.gz ZTNWAZXXKICYKJ-UHFFFAOYSA-N 0 0 374.484 5.799 10 0 FKAERN Fc1cccc(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000023309070 211383701 /nfs/dbraw/zinc/38/37/01/211383701.db2.gz YTYYHNVZKJNIQZ-UHFFFAOYSA-N 0 0 369.408 6.260 10 0 FKAERN CC(C)N(Cc1ccccc1)C(=O)c1ccc(-c2ccc(F)c(F)c2)s1 ZINC000023314312 570485970 /nfs/dbraw/zinc/48/59/70/570485970.db2.gz RHJNSXZLPVWHDJ-UHFFFAOYSA-N 0 0 371.452 5.744 10 0 FKAERN Cc1ccc(-c2nc3ccccc3c(=O)n2CCc2ccc(F)cc2)c(C)c1 ZINC000023314577 211385290 /nfs/dbraw/zinc/38/52/90/211385290.db2.gz LGYRNAKNBVBXAA-UHFFFAOYSA-N 0 0 372.443 5.062 10 0 FKAERN Cc1cc(C(=O)N2CCc3ccccc3[C@H]2c2ccccc2Cl)c(C)o1 ZINC000023315592 207842418 /nfs/dbraw/zinc/84/24/18/207842418.db2.gz JFJGWOXKMGODDN-NRFANRHFSA-N 0 0 365.860 5.338 10 0 FKAERN O=C(c1sc2ccccc2c1Cl)N(c1ccccc1)C1CCCCC1 ZINC000023321940 570501120 /nfs/dbraw/zinc/50/11/20/570501120.db2.gz IBEPBRPRIKLHGD-UHFFFAOYSA-N 0 0 369.917 6.534 10 0 FKAERN Clc1ccc(-c2nc(CSc3nc4ccccc4s3)cs2)cc1 ZINC000023440371 211389299 /nfs/dbraw/zinc/38/92/99/211389299.db2.gz NXFBRFVJBYAAQG-UHFFFAOYSA-N 0 0 374.943 6.366 10 0 FKAERN COc1cc(Cl)c(C)cc1NC(=S)Nc1ccc(C)c(Cl)c1 ZINC000023744942 211395717 /nfs/dbraw/zinc/39/57/17/211395717.db2.gz BJUKNJOYGJPBHY-UHFFFAOYSA-N 0 0 355.290 5.428 10 0 FKAERN COc1ccc([C@@H]2[C@H](CCCc3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000026146201 206809741 /nfs/dbraw/zinc/80/97/41/206809741.db2.gz NCYJLENYYMZQHU-BJKOFHAPSA-N 0 0 371.480 5.422 10 0 FKAERN C[C@H](c1cc2ccccc2o1)N(C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000026290502 204849258 /nfs/dbraw/zinc/84/92/58/204849258.db2.gz MNBJKTKTLVRQHN-BPLDGKMQSA-N 0 0 368.399 5.256 10 0 FKAERN C[C@H](c1cc2ccccc2o1)N(C)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000026290514 220507665 /nfs/dbraw/zinc/50/76/65/220507665.db2.gz MNBJKTKTLVRQHN-YUELXQCFSA-N 0 0 368.399 5.256 10 0 FKAERN COc1ccc(-c2cc(-c3ccccc3)nnc2-c2ccc(OC)cc2)cc1 ZINC000026474559 210242786 /nfs/dbraw/zinc/24/27/86/210242786.db2.gz URSPPSXZEODJCV-UHFFFAOYSA-N 0 0 368.436 5.495 10 0 FKAERN CCCCOc1ccccc1-c1nc(SCc2ccc(F)cc2)n[nH]1 ZINC000026505504 220516184 /nfs/dbraw/zinc/51/61/84/220516184.db2.gz PJMJEFFTFDLGAI-UHFFFAOYSA-N 0 0 357.454 5.082 10 0 FKAERN Cc1nc(CSc2nc3ccccc3s2)c(Br)s1 ZINC000026511848 209762322 /nfs/dbraw/zinc/76/23/22/209762322.db2.gz AQJYDIGZYYWKIT-UHFFFAOYSA-N 0 0 357.323 5.116 10 0 FKAERN Cc1csc2nc(COc3cccc4ccccc43)c(Br)n12 ZINC000026771334 220521415 /nfs/dbraw/zinc/52/14/15/220521415.db2.gz JSGPFTOWGYTFLN-UHFFFAOYSA-N 0 0 373.275 5.199 10 0 FKAERN Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 ZINC000026805858 209768988 /nfs/dbraw/zinc/76/89/88/209768988.db2.gz VOZHMQWPVDBOBM-UHFFFAOYSA-N 0 0 364.832 5.153 10 0 FKAERN Oc1ccc([C@@H]([C@@H](c2ccc(O)cc2)C(F)(F)F)C(F)(F)F)cc1 ZINC000026971982 207925318 /nfs/dbraw/zinc/92/53/18/207925318.db2.gz JECBNLGNXJDVJN-OKILXGFUSA-N 0 0 350.258 5.090 10 0 FKAERN Cc1ccc(-c2cn3cc(-c4ccc(Cl)cc4)n4c3c2CCCC4)cc1 ZINC000027027131 206338753 /nfs/dbraw/zinc/33/87/53/206338753.db2.gz YITFTNDIBJRLPA-UHFFFAOYSA-N 0 0 360.888 6.373 10 0 FKAERN Cc1ccc2nc(SCC(=O)Nc3cccc(Cl)c3C)sc2c1 ZINC000027027174 206338828 /nfs/dbraw/zinc/33/88/28/206338828.db2.gz PLWDYQPLLWBAHX-UHFFFAOYSA-N 0 0 362.907 5.297 10 0 FKAERN COc1ccc(-c2c(C)s/c(=N\c3ccc(C)cc3)n2C(C)(C)C)cc1 ZINC000027027494 210162421 /nfs/dbraw/zinc/16/24/21/210162421.db2.gz XALWFHBAKJEJBH-LNVKXUELSA-N 0 0 366.530 5.829 10 0 FKAERN Cc1ccc(NCc2nn3cc(-c4ccccc4)c4c3n2CCCC4)cc1C ZINC000027027967 220528940 /nfs/dbraw/zinc/52/89/40/220528940.db2.gz GKIZKHNRWWHPQN-UHFFFAOYSA-N 0 0 370.500 5.368 10 0 FKAERN Cc1ccc(NCc2nn3cc(-c4ccccc4)c4c3n2CCCC4)cc1 ZINC000027028900 220528517 /nfs/dbraw/zinc/52/85/17/220528517.db2.gz XJEGVAJNVMUNAI-UHFFFAOYSA-N 0 0 356.473 5.060 10 0 FKAERN O=C1S/C(=C/C=C/c2ccco2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000027230281 207927495 /nfs/dbraw/zinc/92/74/95/207927495.db2.gz NBTDWMVZQGQZQD-GSPDUGTFSA-N 0 0 366.225 5.384 10 0 FKAERN CCOc1ccc(Nc2nnc(-c3ccc(C)cc3)c3ccccc32)cc1 ZINC000027299047 209723764 /nfs/dbraw/zinc/72/37/64/209723764.db2.gz ZXFTZXGRLGKKDQ-UHFFFAOYSA-N 0 0 355.441 5.748 10 0 FKAERN CCOc1ccc(-c2cn3nc(-c4ccccc4)n4c3c2CCCC4)cc1 ZINC000027525334 209777306 /nfs/dbraw/zinc/77/73/06/209777306.db2.gz PLOFEAHURIGXQE-UHFFFAOYSA-N 0 0 357.457 5.205 10 0 FKAERN COc1ccc(-c2cn3nc(-c4ccc(C)cc4)n4c3c2CCCC4)cc1 ZINC000027525439 206454073 /nfs/dbraw/zinc/45/40/73/206454073.db2.gz RIOQURQTLCNKGL-UHFFFAOYSA-N 0 0 357.457 5.123 10 0 FKAERN COc1ccc(-c2cn3cc(-c4ccccc4)n4c3c2CCCC4)cc1OC ZINC000027525983 220536616 /nfs/dbraw/zinc/53/66/16/220536616.db2.gz XYRLTFLTBJDOSI-UHFFFAOYSA-N 0 0 372.468 5.428 10 0 FKAERN CN1c2ccccc2SC12CCC1(CC2)Sc2ccccc2N1C ZINC000027587018 204865306 /nfs/dbraw/zinc/86/53/06/204865306.db2.gz QMXWAPQUTAPIEB-UHFFFAOYSA-N 0 0 354.544 5.437 10 0 FKAERN CCOP(=O)(CCCCCOc1ccc(OC)cc1Cl)OCC ZINC000027760454 211472308 /nfs/dbraw/zinc/47/23/08/211472308.db2.gz YVHYWEQKHJUIFU-UHFFFAOYSA-N 0 0 364.806 5.164 10 0 FKAERN CCC(CC)C(=O)Nc1nc(-c2ccc(-c3cccc(F)c3)s2)cs1 ZINC000027913838 220551480 /nfs/dbraw/zinc/55/14/80/220551480.db2.gz MUQWTOBPGNILMN-UHFFFAOYSA-N 0 0 374.506 6.052 10 0 FKAERN CC(C)CC(=O)Nc1nc(-c2ccc(-c3cccc(F)c3)s2)cs1 ZINC000027913843 206459561 /nfs/dbraw/zinc/45/95/61/206459561.db2.gz OCGSJWAYIDXGIL-UHFFFAOYSA-N 0 0 360.479 5.662 10 0 FKAERN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(COc2ccccc2Cl)o1 ZINC000027974215 209786452 /nfs/dbraw/zinc/78/64/52/209786452.db2.gz CCAKAOWSRWGOOD-AWEZNQCLSA-N 0 0 367.832 5.103 10 0 FKAERN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000027974964 220554592 /nfs/dbraw/zinc/55/45/92/220554592.db2.gz CNSJQRYQCGCVGP-AWEZNQCLSA-N 0 0 367.832 5.103 10 0 FKAERN CCc1cc2c(nc(C)nc2SCC(=O)c2ccc(Cl)cc2)s1 ZINC000028164502 220562508 /nfs/dbraw/zinc/56/25/08/220562508.db2.gz FBCGJQXKKSGFSD-UHFFFAOYSA-N 0 0 362.907 5.191 10 0 FKAERN Cc1cc(C)cc(NC(=O)Cn2c3ccccc3nc2-c2cccs2)c1 ZINC000028188193 220562416 /nfs/dbraw/zinc/56/24/16/220562416.db2.gz BHOJKSOUDQCZHQ-UHFFFAOYSA-N 0 0 361.470 5.020 10 0 FKAERN O=C(Cn1c2ccccc2nc1-c1cccs1)Nc1ccccc1Cl ZINC000028188205 207949400 /nfs/dbraw/zinc/94/94/00/207949400.db2.gz AZIAYMQKBIKBEY-UHFFFAOYSA-N 0 0 367.861 5.057 10 0 FKAERN O=C(NCc1cccs1)c1ccc(COc2cccc3ccccc32)o1 ZINC000028224985 206468391 /nfs/dbraw/zinc/46/83/91/206468391.db2.gz OEJUOTMOCDVFPZ-UHFFFAOYSA-N 0 0 363.438 5.003 10 0 FKAERN Cc1cc(C)cc(NC(=O)c2ccc(COc3ccc(F)cc3F)o2)c1 ZINC000028231214 220566056 /nfs/dbraw/zinc/56/60/56/220566056.db2.gz KJBIBPGRMAIWDG-UHFFFAOYSA-N 0 0 357.356 5.006 10 0 FKAERN CCOc1ccccc1NC(=O)c1ccc(COc2ccc(CC)cc2)o1 ZINC000028238065 209799651 /nfs/dbraw/zinc/79/96/51/209799651.db2.gz CESQGXJONDJEKZ-UHFFFAOYSA-N 0 0 365.429 5.072 10 0 FKAERN Cc1ccc(C)c(OCCCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000028284373 220570059 /nfs/dbraw/zinc/57/00/59/220570059.db2.gz JDPHOKRVILQRPF-UHFFFAOYSA-N 0 0 351.368 5.120 10 0 FKAERN Cc1cc2nc(NC(=O)COc3ccccc3C(C)C)sc2cc1C ZINC000028284490 571338897 /nfs/dbraw/zinc/33/88/97/571338897.db2.gz UUEQTYWGMUPTOC-UHFFFAOYSA-N 0 0 354.475 5.054 10 0 FKAERN Cc1c2nc(NC(=O)COc3ccccc3C(C)C)sc2ccc1Cl ZINC000028284492 571338887 /nfs/dbraw/zinc/33/88/87/571338887.db2.gz MCNGYHVGXBRTLA-UHFFFAOYSA-N 0 0 374.893 5.399 10 0 FKAERN CCC(CC)C(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 ZINC000028284512 210163234 /nfs/dbraw/zinc/16/32/34/210163234.db2.gz NLSPIUQHMZOHPJ-UHFFFAOYSA-N 0 0 367.312 5.256 10 0 FKAERN CCc1ccc(-c2csc(NC(=O)C(CC)CC)c2C(=O)OC)cc1 ZINC000028284516 571338894 /nfs/dbraw/zinc/33/88/94/571338894.db2.gz FPGKSURKYIPGMQ-UHFFFAOYSA-N 0 0 359.491 5.139 10 0 FKAERN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C(CC)CC ZINC000028284521 210162746 /nfs/dbraw/zinc/16/27/46/210162746.db2.gz HDNWUZBUFTVGHS-UHFFFAOYSA-N 0 0 373.518 5.583 10 0 FKAERN CCC(CC)C(=O)Nc1sc(C)c(-c2ccc(F)cc2)c1C(=O)OC ZINC000028284524 571338927 /nfs/dbraw/zinc/33/89/27/571338927.db2.gz UAAKJWFLEMHYRH-UHFFFAOYSA-N 0 0 363.454 5.024 10 0 FKAERN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C(CC)CC ZINC000028284535 210163904 /nfs/dbraw/zinc/16/39/04/210163904.db2.gz TYHDGTOOSSPHJF-UHFFFAOYSA-N 0 0 373.518 5.583 10 0 FKAERN CCC(CC)C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000028284539 210164325 /nfs/dbraw/zinc/16/43/25/210164325.db2.gz WPOYVJSMFWXUJN-UHFFFAOYSA-N 0 0 350.487 5.852 10 0 FKAERN CC(=O)N1CCc2ccccc2[C@@H]1CC(c1ccccc1)c1ccccc1 ZINC000028396141 210242777 /nfs/dbraw/zinc/24/27/77/210242777.db2.gz DTGBUJPNKXQMRG-VWLOTQADSA-N 0 0 355.481 5.355 10 0 FKAERN Cc1ccc(Nc2[nH]c(=O)c3ccccc3c2C(=O)c2ccc(C)cc2)cc1 ZINC000028465636 220575741 /nfs/dbraw/zinc/57/57/41/220575741.db2.gz FWLRBBAIRGVWAU-UHFFFAOYSA-N 0 0 368.436 5.120 10 0 FKAERN COc1cc(/C(C)=C/C=C/C=C/C=C/c2[nH]ccc2Cl)oc(=O)c1C ZINC000028637660 204885740 /nfs/dbraw/zinc/88/57/40/204885740.db2.gz TUFFAFAPFQNIRB-NBWHIMRISA-N 0 0 357.837 5.167 10 0 FKAERN Clc1ccc(-c2nnc(Nc3ccc(Br)cc3)s2)cc1 ZINC000028638607 206810387 /nfs/dbraw/zinc/81/03/87/206810387.db2.gz SRGJWEJOQSADHU-UHFFFAOYSA-N 0 0 366.671 5.365 10 0 FKAERN Clc1cccc(Cl)c1Nc1ncc(-c2ccccc2)n2cncc12 ZINC000028642285 210242160 /nfs/dbraw/zinc/24/21/60/210242160.db2.gz OUMFMWWYXCAKHL-UHFFFAOYSA-N 0 0 355.228 5.447 10 0 FKAERN Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c21 ZINC000028703808 207971395 /nfs/dbraw/zinc/97/13/95/207971395.db2.gz YQQLLLJHDXFGPW-UHFFFAOYSA-N 0 0 360.442 5.190 10 0 FKAERN Cc1nc(Cl)c(-c2ccc(C(F)(F)F)cc2)c(NC2CCCC2)n1 ZINC000028824760 220586579 /nfs/dbraw/zinc/58/65/79/220586579.db2.gz KQHRCHFDLHKKRS-UHFFFAOYSA-N 0 0 355.791 5.479 10 0 FKAERN c1ccc(-c2oc3ncnc(NC[C@H]4CCCO4)c3c2-c2ccccc2)cc1 ZINC000028879075 571128201 /nfs/dbraw/zinc/12/82/01/571128201.db2.gz XNFHHOXCDUAYSR-GOSISDBHSA-N 0 0 371.440 5.148 10 0 FKAERN CCCc1cc(N[C@H](CC)c2ccc(Oc3ccc(F)cc3)cc2)ncn1 ZINC000028887690 210243709 /nfs/dbraw/zinc/24/37/09/210243709.db2.gz RYUVDYSKWRYUNB-OAQYLSRUSA-N 0 0 365.452 5.924 10 0 FKAERN Clc1ccc(C2=CCc3cc(Br)cnc3O2)cc1Cl ZINC000029331313 206810950 /nfs/dbraw/zinc/81/09/50/206810950.db2.gz OMYVDEJYAGHYAZ-UHFFFAOYSA-N 0 0 357.034 5.127 10 0 FKAERN COc1ccc([C@@]2(c3ccccc3)[C@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000029404742 204900141 /nfs/dbraw/zinc/90/01/41/204900141.db2.gz ZYRUTUIIYQZZOH-SFTDATJTSA-N 0 0 369.291 5.953 10 0 FKAERN COc1ccc([C@]2(c3ccccc3)[C@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000029404744 211511138 /nfs/dbraw/zinc/51/11/38/211511138.db2.gz ZYRUTUIIYQZZOH-LEWJYISDSA-N 0 0 369.291 5.953 10 0 FKAERN CC(=O)Oc1c2cc(C(C)=O)ccn2c(-c2ccccc2)c1-c1ccccc1 ZINC000029487226 206811220 /nfs/dbraw/zinc/81/12/20/206811220.db2.gz NOZADQRJFFPZSM-UHFFFAOYSA-N 0 0 369.420 5.401 10 0 FKAERN O=C1N(c2ccccc2)c2ccccc2C1(c1ccccc1)c1ccccc1 ZINC000029544196 210242931 /nfs/dbraw/zinc/24/29/31/210242931.db2.gz NHOMSLJGVCXQLG-UHFFFAOYSA-N 0 0 361.444 5.699 10 0 FKAERN COc1ccc([C@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000029568175 210243762 /nfs/dbraw/zinc/24/37/62/210243762.db2.gz NCYJLENYYMZQHU-RPWUZVMVSA-N 0 0 371.480 5.422 10 0 FKAERN Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000030398273 204908830 /nfs/dbraw/zinc/90/88/30/204908830.db2.gz KRHOQRWBSYQHAK-INIZCTEOSA-N 0 0 369.468 5.133 10 0 FKAERN C[C@@H](O)CCCCCCCCCCCCCCc1cc(O)cc(O)c1 ZINC000031156182 560090654 /nfs/dbraw/zinc/09/06/54/560090654.db2.gz CQNJIFNYKDBSHW-LJQANCHMSA-N 0 0 350.543 6.092 10 0 FKAERN C[C@H](O)CCCCCCCCCCCCCCc1cc(O)cc(O)c1 ZINC000031156187 560090667 /nfs/dbraw/zinc/09/06/67/560090667.db2.gz CQNJIFNYKDBSHW-IBGZPJMESA-N 0 0 350.543 6.092 10 0 FKAERN CC(C)=CCC/C(C)=C/CC/C(C)=C\COc1ccc2ccc(=O)oc2c1 ZINC000031500990 263391940 /nfs/dbraw/zinc/39/19/40/263391940.db2.gz GNMUGVNEWCZUAA-XZWCPNHQSA-N 0 0 366.501 6.591 10 0 FKAERN CCCC[C@@H](CC)C(=O)OCC(C)(C)COC(=O)[C@@H](CC)CCCC ZINC000031879685 208019485 /nfs/dbraw/zinc/01/94/85/208019485.db2.gz GORMSINSWZJIKL-HDICACEKSA-N 0 0 356.547 5.532 10 0 FKAERN Cc1c(-c2ccccc2)c(C)c(=O)n(-c2ccccc2)c1-c1ccccc1 ZINC000032288589 210245316 /nfs/dbraw/zinc/24/53/16/210245316.db2.gz MSGBKQJSKSVXLA-UHFFFAOYSA-N 0 0 351.449 5.788 10 0 FKAERN CCCCOc1ccc(-c2cn3cc(Br)c(C)cc3n2)cc1 ZINC000032501692 210167232 /nfs/dbraw/zinc/16/72/32/210167232.db2.gz UOPVDUCGSPSBOT-UHFFFAOYSA-N 0 0 359.267 5.251 10 0 FKAERN CCC(CC)c1nnc(NC(=O)c2ccc(-c3ccccc3F)o2)s1 ZINC000032502359 206754909 /nfs/dbraw/zinc/75/49/09/206754909.db2.gz XJOAGFBRUFLHKB-UHFFFAOYSA-N 0 0 359.426 5.093 10 0 FKAERN Cc1cccc2c(C)cc(SCC(=O)Nc3cccc(Cl)c3C)nc12 ZINC000032521462 208030519 /nfs/dbraw/zinc/03/05/19/208030519.db2.gz SKVNIKQRCDPSRT-UHFFFAOYSA-N 0 0 370.905 5.544 10 0 FKAERN Cc1cccc2c(C)cc(SCC(=O)Nc3ccc(Cl)cc3)nc12 ZINC000032521466 211549927 /nfs/dbraw/zinc/54/99/27/211549927.db2.gz GCLSOWFVCCTVHX-UHFFFAOYSA-N 0 0 356.878 5.236 10 0 FKAERN Cc1cccc2c(C)cc(SCC(=O)Nc3ccc4ccccc4c3)nc12 ZINC000032521503 204930473 /nfs/dbraw/zinc/93/04/73/204930473.db2.gz LNPDWYAJMLMHCY-UHFFFAOYSA-N 0 0 372.493 5.736 10 0 FKAERN Cc1ccc(Cl)cc1NC(=O)CSc1cc(C)c2ccccc2n1 ZINC000032521523 208029295 /nfs/dbraw/zinc/02/92/95/208029295.db2.gz YHZHNFRTDNUVCF-UHFFFAOYSA-N 0 0 356.878 5.236 10 0 FKAERN Cc1cc(SCC(=O)Nc2cccc3ccccc32)nc2ccccc12 ZINC000032521539 208029062 /nfs/dbraw/zinc/02/90/62/208029062.db2.gz DVXCFOYQNMWUTL-UHFFFAOYSA-N 0 0 358.466 5.427 10 0 FKAERN Cc1cc(SCC(=O)Nc2ccc3ccccc3c2)nc2ccccc12 ZINC000032521541 204929916 /nfs/dbraw/zinc/92/99/16/204929916.db2.gz JABQPVYYAWOANS-UHFFFAOYSA-N 0 0 358.466 5.427 10 0 FKAERN Cc1cc(Cl)ccc1NC(=O)CSc1cc(C)c2ccccc2n1 ZINC000032521547 211550069 /nfs/dbraw/zinc/55/00/69/211550069.db2.gz JBMJFXLYPYWISH-UHFFFAOYSA-N 0 0 356.878 5.236 10 0 FKAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2C(c1ccccc1)c1ccccc1 ZINC000032527392 208029021 /nfs/dbraw/zinc/02/90/21/208029021.db2.gz WYJTUCSMAVBXLK-UHFFFAOYSA-N 0 0 353.465 5.564 10 0 FKAERN Cc1cc(SCCC(=O)Nc2ccc(Cl)cc2)nc2ccccc12 ZINC000032528556 208030459 /nfs/dbraw/zinc/03/04/59/208030459.db2.gz QCWRTAHPJIBMMI-UHFFFAOYSA-N 0 0 356.878 5.318 10 0 FKAERN COc1cccc2c(C)cc(SC(c3ccccc3)c3ccccc3)nc12 ZINC000032530113 208030313 /nfs/dbraw/zinc/03/03/13/208030313.db2.gz YMZOHQXPQMPTOC-UHFFFAOYSA-N 0 0 371.505 6.434 10 0 FKAERN Cc1cccc2c(C)cc(=O)n(CC(=O)c3ccc(-c4ccccc4)cc3)c12 ZINC000032530548 208029262 /nfs/dbraw/zinc/02/92/62/208029262.db2.gz XTUCNJDZRZOQFJ-UHFFFAOYSA-N 0 0 367.448 5.168 10 0 FKAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2CC(=O)c1ccc(Cl)cc1Cl ZINC000032530604 211549291 /nfs/dbraw/zinc/54/92/91/211549291.db2.gz OZSGVAJTCFAULG-UHFFFAOYSA-N 0 0 374.267 5.116 10 0 FKAERN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nc2c(cccc2F)s1 ZINC000032598906 570750527 /nfs/dbraw/zinc/75/05/27/570750527.db2.gz WAMZSOOKUNFIBM-GFCCVEGCSA-N 0 0 372.465 5.139 10 0 FKAERN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nc2c(cccc2F)s1 ZINC000032598908 211551547 /nfs/dbraw/zinc/55/15/47/211551547.db2.gz WAMZSOOKUNFIBM-LBPRGKRZSA-N 0 0 372.465 5.139 10 0 FKAERN CC(C)(C)c1ccc(CCC(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000032598910 220666096 /nfs/dbraw/zinc/66/60/96/220666096.db2.gz GUDBYBFGPSFJQM-UHFFFAOYSA-N 0 0 356.466 5.304 10 0 FKAERN CC(C)c1ccc(OCCCC(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000032598912 570750553 /nfs/dbraw/zinc/75/05/53/570750553.db2.gz OTRMFUUPGIASKH-UHFFFAOYSA-N 0 0 372.465 5.357 10 0 FKAERN Cc1cc(C)cc(NC(=O)c2cn(C(C)C)c3ccc(Cl)cc3c2=O)c1 ZINC000032607862 208033688 /nfs/dbraw/zinc/03/36/88/208033688.db2.gz DIDXDSCMAXPYAF-UHFFFAOYSA-N 0 0 368.864 5.105 10 0 FKAERN C[C@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc(-n2cccc2)cc1 ZINC000032609617 209850480 /nfs/dbraw/zinc/85/04/80/209850480.db2.gz DBSDUNYXXATJOY-ZDUSSCGKSA-N 0 0 359.256 5.275 10 0 FKAERN CCc1nnsc1N(Cc1cccc(Cl)c1)c1ccc(OC)cc1 ZINC000032611837 220667115 /nfs/dbraw/zinc/66/71/15/220667115.db2.gz WESQECSQVWOAHM-UHFFFAOYSA-N 0 0 359.882 5.101 10 0 FKAERN Cn1cccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)s1 ZINC000032615244 208034407 /nfs/dbraw/zinc/03/44/07/208034407.db2.gz YGEZVBGNTNAXBM-UHFFFAOYSA-N 0 0 356.303 5.143 10 0 FKAERN O=C(Nc1ccccn1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000032647223 210168759 /nfs/dbraw/zinc/16/87/59/210168759.db2.gz RZBLMGVGSRQDAI-UHFFFAOYSA-N 0 0 366.726 5.266 10 0 FKAERN Cc1cc(C)cc(Nc2nc(N)c(C(=O)c3cc(C)c(C)cc3C)s2)c1 ZINC000032947805 570950640 /nfs/dbraw/zinc/95/06/40/570950640.db2.gz RMDKQYBLZSLGMC-UHFFFAOYSA-N 0 0 365.502 5.242 10 0 FKAERN CCc1ccc(C(=O)c2sc(Nc3c(C)cccc3CC)nc2N)cc1 ZINC000032948169 220704744 /nfs/dbraw/zinc/70/47/44/220704744.db2.gz VXHQMTMFOVFHIC-UHFFFAOYSA-N 0 0 365.502 5.133 10 0 FKAERN Cc1c(C)n(-c2ccccc2)c2nc(C)nc(Nc3ccc(C)c(C)c3)c12 ZINC000032960436 571066415 /nfs/dbraw/zinc/06/64/15/571066415.db2.gz OQSYKOKMYAQCJV-UHFFFAOYSA-N 0 0 356.473 5.706 10 0 FKAERN CCCn1c(CCc2ccccc2NC(=O)c2ccco2)nc2ccccc21 ZINC000033019749 571106012 /nfs/dbraw/zinc/10/60/12/571106012.db2.gz QZAAIXOOTUBJRS-UHFFFAOYSA-N 0 0 373.456 5.077 10 0 FKAERN O=C(Nc1c2ccccc2[nH]c1-c1cccnc1)Nc1ccccc1Cl ZINC000033130686 571157510 /nfs/dbraw/zinc/15/75/10/571157510.db2.gz NQZKQSTWLALSAX-UHFFFAOYSA-N 0 0 362.820 5.527 10 0 FKAERN Cc1ccsc1C(=O)Nc1ccc(-c2nc(-c3ccccc3)co2)cc1 ZINC000033169279 211591266 /nfs/dbraw/zinc/59/12/66/211591266.db2.gz HNGDRRLHMSIALJ-UHFFFAOYSA-N 0 0 360.438 5.631 10 0 FKAERN Cc1ccc(C2=N/C(=C\c3ccc4oc5ccccc5c4c3)C(=O)O2)cc1 ZINC000033247171 208075236 /nfs/dbraw/zinc/07/52/36/208075236.db2.gz WNQNZGHMIKLAID-UYRXBGFRSA-N 0 0 353.377 5.239 10 0 FKAERN O=c1nc(C(F)(F)F)cc(C=Cc2cccc(Oc3ccccc3)c2)[nH]1 ZINC000033248299 204960760 /nfs/dbraw/zinc/96/07/60/204960760.db2.gz SUKVZEYNCCNBLU-KTKRTIGZSA-N 0 0 358.319 5.164 10 0 FKAERN O=C(NCCC1=CCCCC1)Nc1ccc(-c2noc(C3CCC3)n2)cc1 ZINC000033257399 208077627 /nfs/dbraw/zinc/07/76/27/208077627.db2.gz NOBSFWPFAIMMST-UHFFFAOYSA-N 0 0 366.465 5.016 10 0 FKAERN Cc1sc2c3c([nH]c2c1C(=O)Nc1ccc(C)cc1Cl)CCCCC3 ZINC000033280537 208080519 /nfs/dbraw/zinc/08/05/19/208080519.db2.gz ARCVSIDQMRAEIT-UHFFFAOYSA-N 0 0 372.921 6.021 10 0 FKAERN Cc1sc2c3c([nH]c2c1C(=O)Nc1ccc(C(C)C)cc1)CCCCC3 ZINC000033280551 208081536 /nfs/dbraw/zinc/08/15/36/208081536.db2.gz MYSWZSQDBHZALM-UHFFFAOYSA-N 0 0 366.530 6.182 10 0 FKAERN CCc1cccc(Nc2nc(C(=O)NCc3cccc(Cl)c3)cs2)c1 ZINC000033280725 571229916 /nfs/dbraw/zinc/22/99/16/571229916.db2.gz XBEWWNLTASWYPS-UHFFFAOYSA-N 0 0 371.893 5.033 10 0 FKAERN Cc1ccc2nc(NC(=O)/C=C\c3ccc(Cl)cc3Cl)sc2c1 ZINC000033284943 208080705 /nfs/dbraw/zinc/08/07/05/208080705.db2.gz ZHBSMDIDOBUJIN-DAXSKMNVSA-N 0 0 363.269 5.563 10 0 FKAERN CSc1ccc(/C=C2/SC(=N)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000033295129 208083057 /nfs/dbraw/zinc/08/30/57/208083057.db2.gz RMJXSXJEONTQCV-OEQLELKQSA-N 0 0 354.500 5.081 10 0 FKAERN O=C(/C=C\c1c(F)cccc1Cl)Nc1ccccc1Oc1ccccc1 ZINC000033306965 208083442 /nfs/dbraw/zinc/08/34/42/208083442.db2.gz HCZBZLHBFYIAAR-YPKPFQOOSA-N 0 0 367.807 5.923 10 0 FKAERN O=C(/C=C\c1ccc(Cl)c(Cl)c1)Nc1ccccc1Br ZINC000033313407 220731441 /nfs/dbraw/zinc/73/14/41/220731441.db2.gz BMQNGUUQJSSNIT-VURMDHGXSA-N 0 0 371.061 5.408 10 0 FKAERN Cc1sc(NC(=O)/C=C\c2cccc(Cl)c2)nc1-c1ccccc1 ZINC000033321421 220730400 /nfs/dbraw/zinc/73/04/00/220730400.db2.gz WXCHIPQNCOTDFE-KHPPLWFESA-N 0 0 354.862 5.424 10 0 FKAERN CCCc1nc(-c2cc3cc(C)ccc3nc2Nc2ccc(OC)cc2)no1 ZINC000033331434 208087857 /nfs/dbraw/zinc/08/78/57/208087857.db2.gz CFIYLHBTFYGMBF-UHFFFAOYSA-N 0 0 374.444 5.298 10 0 FKAERN C(=C\c1ccc2c(c1)Cc1cc(/C=C\c3ccccc3)ccc1-2)\c1ccccc1 ZINC000033354609 211602726 /nfs/dbraw/zinc/60/27/26/211602726.db2.gz DAKGYRRPMNTHII-XSYHWHKQSA-N 0 0 370.495 7.599 10 0 FKAERN CCOP(=O)(OCC)[C@H](/C=C(/Cl)c1ccc(Cl)cc1)N(C)C ZINC000033373981 208087991 /nfs/dbraw/zinc/08/79/91/208087991.db2.gz XWHIBLPWZFUSPE-ATGUSINASA-N 0 0 366.225 5.074 10 0 FKAERN CCCOc1ccc(/C=C\C(=O)Nc2c(C)cccc2C(C)C)cc1OC ZINC000033377524 210167836 /nfs/dbraw/zinc/16/78/36/210167836.db2.gz MCXNUPNPVDBSPV-QBFSEMIESA-N 0 0 367.489 5.568 10 0 FKAERN O=C(c1cccc2ccccc21)N1CCn2cccc2[C@@H]1c1cccc(F)c1 ZINC000033415674 208090750 /nfs/dbraw/zinc/09/07/50/208090750.db2.gz QUSSRVPETVKSCX-QHCPKHFHSA-N 0 0 370.427 5.026 10 0 FKAERN O=C(c1cccc2ccccc21)N1CCn2cccc2[C@H]1c1cccc(F)c1 ZINC000033415675 208090080 /nfs/dbraw/zinc/09/00/80/208090080.db2.gz QUSSRVPETVKSCX-HSZRJFAPSA-N 0 0 370.427 5.026 10 0 FKAERN CCCOC(=O)c1ccc(NC(=O)/C=C\c2cccc3ccccc23)cc1 ZINC000033420821 208093359 /nfs/dbraw/zinc/09/33/59/208093359.db2.gz JHHCGXCPNOCTDS-QINSGFPZSA-N 0 0 359.425 5.059 10 0 FKAERN O=C(/C=C\c1cccc(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000033449006 208093183 /nfs/dbraw/zinc/09/31/83/208093183.db2.gz HVQVITBWGBUDKK-PFONDFGASA-N 0 0 361.872 5.582 10 0 FKAERN CC(C)(C)c1ccc(OC(=O)/C=C\c2ccccc2)c(Br)c1 ZINC000033468759 208093503 /nfs/dbraw/zinc/09/35/03/208093503.db2.gz FMUWXASREQXCSX-XFXZXTDPSA-N 0 0 359.263 5.365 10 0 FKAERN Cc1sccc1C(=S)Nc1ccc(Cl)c(OCC(C)(C)C)c1 ZINC000033487869 203931270 /nfs/dbraw/zinc/93/12/70/203931270.db2.gz VMOHENJEUMJNLD-UHFFFAOYSA-N 0 0 353.940 5.922 10 0 FKAERN CCCCOc1ccc(NC(=S)Nc2ccc(OCCCC)cc2)cc1 ZINC000033488172 211608503 /nfs/dbraw/zinc/60/85/03/211608503.db2.gz IXBVMHHGEKZUKE-UHFFFAOYSA-N 0 0 372.534 5.853 10 0 FKAERN Clc1ccc(C[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 ZINC000033493880 210245242 /nfs/dbraw/zinc/24/52/42/210245242.db2.gz MAUZZLMDDSUTCD-AWEZNQCLSA-N 0 0 365.691 5.870 10 0 FKAERN CC(C)c1ccc(OC(=O)/C=C\c2ccc(F)cc2)c(Br)c1 ZINC000033558331 208094035 /nfs/dbraw/zinc/09/40/35/208094035.db2.gz RADXEULTMGUSOX-YHYXMXQVSA-N 0 0 363.226 5.330 10 0 FKAERN Cc1ccc(OC(=O)c2sc3ccccc3c2Cl)c(C(C)(C)C)c1 ZINC000033569859 208097412 /nfs/dbraw/zinc/09/74/12/208097412.db2.gz XAJOISPINSNRAN-UHFFFAOYSA-N 0 0 358.890 6.380 10 0 FKAERN CC(C)(C)c1ccc(OC(=O)/C=C\c2ccccc2Cl)c(C(C)(C)C)c1 ZINC000033593499 204972094 /nfs/dbraw/zinc/97/20/94/204972094.db2.gz VLORVTIHEPLVTB-KAMYIIQDSA-N 0 0 370.920 6.554 10 0 FKAERN COc1ccccc1/C=C\C(=O)Oc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC000033593500 204971930 /nfs/dbraw/zinc/97/19/30/204971930.db2.gz LZMAVEZSJVLLTO-QINSGFPZSA-N 0 0 366.501 5.909 10 0 FKAERN COc1ccc(/C=C\C(=O)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 ZINC000033593528 208097476 /nfs/dbraw/zinc/09/74/76/208097476.db2.gz JLICULWNFBULGT-GDNBJRDFSA-N 0 0 366.501 5.909 10 0 FKAERN CC(C)Cc1ccc(/C=C\C(=O)Nc2ccc(C3CCCCC3)cc2)cc1 ZINC000033597026 208095525 /nfs/dbraw/zinc/09/55/25/208095525.db2.gz CYEUSDQKXVPRST-ATVHPVEESA-N 0 0 361.529 6.585 10 0 FKAERN CC(C)CCC[C@H](C)CCOC(=O)C(=O)OCC[C@@H](C)CCCC(C)C ZINC000033637086 220746085 /nfs/dbraw/zinc/74/60/85/220746085.db2.gz JOXPDGWFATYEII-PMACEKPBSA-N 0 0 370.574 5.778 10 0 FKAERN CCNc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000033637256 208097585 /nfs/dbraw/zinc/09/75/85/208097585.db2.gz KPVHNMPZJYOBCU-UHFFFAOYSA-N 0 0 363.504 6.501 10 0 FKAERN FC(F)(F)c1cccc(N2CCc3ccccc3[C@H]2c2ccccc2)c1 ZINC000033638170 132933562 /nfs/dbraw/zinc/93/35/62/132933562.db2.gz MERSLHVVBXWHTM-OAQYLSRUSA-N 0 0 353.387 5.858 10 0 FKAERN FC(F)(F)c1cccc(N2CCc3ccccc3[C@@H]2c2ccccc2)c1 ZINC000033638172 132933634 /nfs/dbraw/zinc/93/36/34/132933634.db2.gz MERSLHVVBXWHTM-NRFANRHFSA-N 0 0 353.387 5.858 10 0 FKAERN COc1ccc2c(c1)CCN(c1cccc(F)c1)[C@H]2c1cccc(F)c1 ZINC000033638236 132378008 /nfs/dbraw/zinc/37/80/08/132378008.db2.gz DZFOJIAPAGYNSN-QFIPXVFZSA-N 0 0 351.396 5.126 10 0 FKAERN CCc1ccc(-c2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000033657102 208096061 /nfs/dbraw/zinc/09/60/61/208096061.db2.gz ZENDSVNWRCYQFE-UHFFFAOYSA-N 0 0 357.866 5.670 10 0 FKAERN Cc1ccc(C)c(-c2csc(NC(=O)Nc3cccc(Cl)c3)n2)c1 ZINC000033657103 208096905 /nfs/dbraw/zinc/09/69/05/208096905.db2.gz RDLMRVOGSKJNKC-UHFFFAOYSA-N 0 0 357.866 5.724 10 0 FKAERN O=C(/C=C\c1ccco1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000033686493 208096481 /nfs/dbraw/zinc/09/64/81/208096481.db2.gz GUBLFVTYRGBURF-XQRVVYSFSA-N 0 0 365.241 5.362 10 0 FKAERN O=C(/C=C\c1c(F)cccc1Cl)NC(c1ccccc1)c1ccccc1 ZINC000033697213 211610661 /nfs/dbraw/zinc/61/06/61/211610661.db2.gz SWJNPLZCMOEGSJ-PFONDFGASA-N 0 0 365.835 5.398 10 0 FKAERN CCC1(CC)O[C@H](/C(Br)=C\c2ccccc2)Nc2ccccc21 ZINC000033710848 208098884 /nfs/dbraw/zinc/09/88/84/208098884.db2.gz SZKSLTLEAUBBMJ-DQSGYLJSSA-N 0 0 372.306 5.906 10 0 FKAERN CCOc1ccc(/C=C\C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000033744660 208097822 /nfs/dbraw/zinc/09/78/22/208097822.db2.gz JZXWMRRINBPBCC-YVLHZVERSA-N 0 0 359.425 5.530 10 0 FKAERN CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)(C)C1 ZINC000033825626 208099791 /nfs/dbraw/zinc/09/97/91/208099791.db2.gz RTKUCVAYNSXMMS-DLBZAZTESA-N 0 0 370.577 7.457 10 0 FKAERN CCCC/C=C\CCCCCCCCCc1cc(=O)c2ccccc2n1C ZINC000033832745 291087487 /nfs/dbraw/zinc/08/74/87/291087487.db2.gz PNTAWDRGJFZGEL-SREVYHEPSA-N 0 0 367.577 6.948 10 0 biogenic,in-vitro FKAERN Cc1ccccc1N1C(=S)N=NC1COc1ccc(-c2ccccc2)cc1 ZINC000033857940 210246560 /nfs/dbraw/zinc/24/65/60/210246560.db2.gz IEJWHJMHMBJJBJ-UHFFFAOYSA-N 0 0 373.481 5.110 10 0 FKAERN CC(C)(COCc1cccc(Cc2ccccc2)c1)c1ccc(Cl)cc1 ZINC000033884452 208100840 /nfs/dbraw/zinc/10/08/40/208100840.db2.gz UWNDANYZAJMRGB-UHFFFAOYSA-N 0 0 364.916 6.425 10 0 FKAERN CCCCOC(=O)c1ccc(NC(=O)/C=C\c2ccc(C(C)C)cc2)cc1 ZINC000033924095 520722780 /nfs/dbraw/zinc/72/27/80/520722780.db2.gz FWCPLRITMNIPRD-NVNXTCNLSA-N 0 0 365.473 5.419 10 0 FKAERN O=C(Nc1nnc(/C=C\c2ccccc2)s1)Nc1cccc(Cl)c1 ZINC000033924674 220753404 /nfs/dbraw/zinc/75/34/04/220753404.db2.gz KFPLPXNRWRNIMN-KTKRTIGZSA-N 0 0 356.838 5.006 10 0 FKAERN O=c1c2ccccc2nc(/C=C\c2ccccc2)n1-c1ccccc1Cl ZINC000033934491 208103562 /nfs/dbraw/zinc/10/35/62/208103562.db2.gz UFJKNEZTEYLERH-PFONDFGASA-N 0 0 358.828 5.210 10 0 FKAERN CCCCC/C=C\C/C=C\CCCCCCCC[N+](C)(C)CC(=O)[O-] ZINC000033953421 717123391 /nfs/dbraw/zinc/12/33/91/717123391.db2.gz DIHXSRXTECMMJY-MURFETPASA-O 0 0 352.583 5.961 10 0 FKAERN COc1ccccc1NC(=O)c1sc2ccc3ccccc3c2c1Cl ZINC000034156248 204977289 /nfs/dbraw/zinc/97/72/89/204977289.db2.gz JILCORXNBLOJBJ-UHFFFAOYSA-N 0 0 367.857 5.969 10 0 FKAERN CCCc1nc(-c2cccc(Cl)c2)c(-c2ccnc(NC(C)=O)c2)s1 ZINC000034282818 220755493 /nfs/dbraw/zinc/75/54/93/220755493.db2.gz WURLIRVPQHPYNB-UHFFFAOYSA-N 0 0 371.893 5.436 10 0 FKAERN O=C(Nc1cccc2ccccc21)c1cnc2[nH]cc(-c3ccoc3)c2c1 ZINC000034461875 204977041 /nfs/dbraw/zinc/97/70/41/204977041.db2.gz OPGQOMZMVCYBMU-UHFFFAOYSA-N 0 0 353.381 5.228 10 0 FKAERN c1nc(-c2ccccc2-c2ncc(-c3ccccc3)o2)oc1-c1ccccc1 ZINC000034498320 210246527 /nfs/dbraw/zinc/24/65/27/210246527.db2.gz GGBOVJMCGIHGCG-UHFFFAOYSA-N 0 0 364.404 6.331 10 0 FKAERN c1ccc(C(OC[C@@H]2CC=CCO2)(c2ccccc2)c2ccccc2)cc1 ZINC000034505162 210246326 /nfs/dbraw/zinc/24/63/26/210246326.db2.gz UWYJPFNZHBXFRC-DEOSSOPVSA-N 0 0 356.465 5.340 10 0 FKAERN CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21 ZINC000034512600 571306163 /nfs/dbraw/zinc/30/61/63/571306163.db2.gz LLAXDWLRVWTADE-UHFFFAOYSA-N 0 0 361.488 7.463 10 0 FKAERN Cc1ccc(NC(=O)c2csc(-c3cccc(OCC(C)C)c3)n2)cc1 ZINC000034713048 570533186 /nfs/dbraw/zinc/53/31/86/570533186.db2.gz DRSHQKWSOYGQRF-UHFFFAOYSA-N 0 0 366.486 5.406 10 0 FKAERN CCCc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)Cc1ccc(F)cc1 ZINC000034794406 208110155 /nfs/dbraw/zinc/11/01/55/208110155.db2.gz ZWXBALQSOPHZFZ-UHFFFAOYSA-N 0 0 371.843 5.003 10 0 FKAERN O=C(Nc1c(-c2ccccc2)n[nH]c1-c1ccccc1)c1cccc(F)c1 ZINC000034796415 570559143 /nfs/dbraw/zinc/55/91/43/570559143.db2.gz ZUIMRPPWPZOWTQ-UHFFFAOYSA-N 0 0 357.388 5.135 10 0 FKAERN CC[C@H](C(=O)Nc1c(-c2ccc(F)cc2)n[nH]c1C(C)C)c1ccccc1 ZINC000034796432 208108340 /nfs/dbraw/zinc/10/83/40/208108340.db2.gz SDOOHGOGMIHDBO-SFHVURJKSA-N 0 0 365.452 5.472 10 0 FKAERN CC[C@@H](C(=O)Nc1c(-c2ccc(F)cc2)n[nH]c1C(C)C)c1ccccc1 ZINC000034796433 570559187 /nfs/dbraw/zinc/55/91/87/570559187.db2.gz SDOOHGOGMIHDBO-GOSISDBHSA-N 0 0 365.452 5.472 10 0 FKAERN O=C(Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1)Nc1ccc(F)c(F)c1 ZINC000034796647 570559387 /nfs/dbraw/zinc/55/93/87/570559387.db2.gz UHADQZVJSFJACS-UHFFFAOYSA-N 0 0 372.350 5.015 10 0 FKAERN Cc1nc2ccc(Cl)cc2c(=S)n1-c1ccc(Br)cc1 ZINC000034820672 210246234 /nfs/dbraw/zinc/24/62/34/210246234.db2.gz MTIAOLNWMIJIQY-UHFFFAOYSA-N 0 0 365.683 5.479 10 0 FKAERN CC(C)(C)c1ccccc1Oc1ncccc1Nc1ccc2ccccc2c1 ZINC000034852035 220765241 /nfs/dbraw/zinc/76/52/41/220765241.db2.gz ULYDBAWDHYUPCD-UHFFFAOYSA-N 0 0 368.480 7.068 10 0 FKAERN Cc1ccccc1Oc1ccc(NC(=O)Nc2ccc(F)cc2F)cn1 ZINC000034898349 570561604 /nfs/dbraw/zinc/56/16/04/570561604.db2.gz NNAIVKGWFLLDSY-UHFFFAOYSA-N 0 0 355.344 5.105 10 0 FKAERN CCCn1nc(-c2cc(C)sc2C)cc1C(=O)Nc1ccc(C)cc1 ZINC000034902429 204983628 /nfs/dbraw/zinc/98/36/28/204983628.db2.gz WERWYILJZJAXDQ-UHFFFAOYSA-N 0 0 353.491 5.199 10 0 FKAERN Fc1cccc(F)c1-c1nc(COc2ccccc2-c2ccccc2)no1 ZINC000034907101 208114932 /nfs/dbraw/zinc/11/49/32/208114932.db2.gz LZGVTZGAFXJGQT-UHFFFAOYSA-N 0 0 364.351 5.261 10 0 FKAERN CCCCC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3)ccc2o1 ZINC000034907622 220768571 /nfs/dbraw/zinc/76/85/71/220768571.db2.gz NSHBUQIVJXZHPM-LJQANCHMSA-N 0 0 366.436 5.488 10 0 FKAERN CCCCC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3)ccc2o1 ZINC000034907623 571147854 /nfs/dbraw/zinc/14/78/54/571147854.db2.gz NSHBUQIVJXZHPM-IBGZPJMESA-N 0 0 366.436 5.488 10 0 FKAERN CC(C)C(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908002 208115665 /nfs/dbraw/zinc/11/56/65/208115665.db2.gz IWZRZLGCFMVNPJ-GOSISDBHSA-N 0 0 370.399 5.093 10 0 FKAERN CC(C)C(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908003 208115774 /nfs/dbraw/zinc/11/57/74/208115774.db2.gz IWZRZLGCFMVNPJ-SFHVURJKSA-N 0 0 370.399 5.093 10 0 FKAERN O=C(C1CCC1)N1CCC[C@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908178 571141798 /nfs/dbraw/zinc/14/17/98/571141798.db2.gz LEWBCZPFMCGPDU-IBGZPJMESA-N 0 0 364.420 5.098 10 0 FKAERN O=C(C1CCC1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908179 571141886 /nfs/dbraw/zinc/14/18/86/571141886.db2.gz LEWBCZPFMCGPDU-LJQANCHMSA-N 0 0 364.420 5.098 10 0 FKAERN CCCCc1ccc(C(=O)Nc2c(-c3ccco3)nc3ccccn32)cc1 ZINC000034912635 570564367 /nfs/dbraw/zinc/56/43/67/570564367.db2.gz XHMFDFNRWFVLTC-UHFFFAOYSA-N 0 0 359.429 5.189 10 0 FKAERN Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)/C=C/c2ccccc2)cc1 ZINC000034912931 570564622 /nfs/dbraw/zinc/56/46/22/570564622.db2.gz AMBICQHWDDEBFW-RVDMUPIBSA-N 0 0 367.452 5.270 10 0 FKAERN Cc1ccc2nc(-c3ccccc3F)c(NC(=O)/C=C/c3ccccc3)n2c1 ZINC000034913042 570564737 /nfs/dbraw/zinc/56/47/37/570564737.db2.gz PAZZHJKCANELRV-WYMLVPIESA-N 0 0 371.415 5.101 10 0 FKAERN Cc1ccn2c(c1)nc(-c1cccc(Cl)c1)c2NC(=O)CC(C)(C)C ZINC000034913165 208115086 /nfs/dbraw/zinc/11/50/86/208115086.db2.gz XIDYDSCZHHMLRA-UHFFFAOYSA-N 0 0 355.869 5.338 10 0 FKAERN Cc1nc(/C=C/c2ccc(Cl)cc2)nc(/C=C/c2ccc(Cl)cc2)n1 ZINC000034985749 210246340 /nfs/dbraw/zinc/24/63/40/210246340.db2.gz LFQQHIFTCPAQGJ-PWHKKFIBSA-N 0 0 368.267 5.828 10 0 FKAERN O=C(CSc1cc(Cl)ccc1Cl)c1cc(Cl)sc1Cl ZINC000034990439 211629396 /nfs/dbraw/zinc/62/93/96/211629396.db2.gz SQADUGBBZSAIQR-UHFFFAOYSA-N 0 0 372.125 6.337 10 0 FKAERN COc1cc(Br)c(CNc2ccc(C)c(Cl)c2)cc1OC ZINC000035038844 210351672 /nfs/dbraw/zinc/35/16/72/210351672.db2.gz XVBCQNYUDFUFDX-UHFFFAOYSA-N 0 0 370.674 5.040 10 0 FKAERN COc1ccc(CNc2cccc(Cl)c2Cl)cc1Br ZINC000035040115 210351627 /nfs/dbraw/zinc/35/16/27/210351627.db2.gz ZNGXESFSSCFHKY-UHFFFAOYSA-N 0 0 361.066 5.377 10 0 FKAERN Cc1ccc(NCc2ccc(C(C)C)cc2)cc1I ZINC000035041903 204008265 /nfs/dbraw/zinc/00/82/65/204008265.db2.gz SQCSEHBEOTUGSE-UHFFFAOYSA-N 0 0 365.258 5.335 10 0 FKAERN O=C(CNc1cccc(Oc2ccccc2)c1)Nc1ccc2cnccc2c1 ZINC000035088454 220772671 /nfs/dbraw/zinc/77/26/71/220772671.db2.gz AECZEBLDWMXATO-UHFFFAOYSA-N 0 0 369.424 5.078 10 0 FKAERN C[C@@H](Sc1ccccc1Cl)C(=O)c1ccc(Br)cc1 ZINC000035182200 208118606 /nfs/dbraw/zinc/11/86/06/208118606.db2.gz OMYKRIJWQSONPY-SNVBAGLBSA-N 0 0 355.684 5.466 10 0 FKAERN C[C@H](Sc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1 ZINC000035182740 220773511 /nfs/dbraw/zinc/77/35/11/220773511.db2.gz FXSQFDSFDIOKGS-JTQLQIEISA-N 0 0 355.684 5.466 10 0 FKAERN C[C@@H](Sc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1 ZINC000035182741 208118964 /nfs/dbraw/zinc/11/89/64/208118964.db2.gz FXSQFDSFDIOKGS-SNVBAGLBSA-N 0 0 355.684 5.466 10 0 FKAERN Fc1ccc(Cl)cc1Nc1nc2cc(Br)ccc2s1 ZINC000035284764 207108262 /nfs/dbraw/zinc/10/82/62/207108262.db2.gz DSHASUOCHURINF-UHFFFAOYSA-N 0 0 357.635 5.595 10 0 FKAERN Nc1cc(Cl)c(OCc2ccc(Br)cc2F)c(Cl)c1 ZINC000035284928 207107570 /nfs/dbraw/zinc/10/75/70/207107570.db2.gz GPJKLNQBYKNQIC-UHFFFAOYSA-N 0 0 365.029 5.056 10 0 FKAERN C[C@H](Nc1ccc(Br)cc1Cl)c1ccc(Cl)s1 ZINC000035286413 211631612 /nfs/dbraw/zinc/63/16/12/211631612.db2.gz KJXNJZAEMNYFHY-ZETCQYMHSA-N 0 0 351.096 5.991 10 0 FKAERN C[C@@H](CCc1ccco1)Nc1c(Cl)cc(Br)cc1Cl ZINC000035451967 210720412 /nfs/dbraw/zinc/72/04/12/210720412.db2.gz VCNNVDOYXCYILE-VIFPVBQESA-N 0 0 363.082 5.782 10 0 FKAERN C[C@H](CCc1ccco1)Nc1c(Cl)cc(Br)cc1Cl ZINC000035451969 204283845 /nfs/dbraw/zinc/28/38/45/204283845.db2.gz VCNNVDOYXCYILE-SECBINFHSA-N 0 0 363.082 5.782 10 0 FKAERN CN[C@H](c1cc(Cl)sc1Cl)c1cc(Br)ccc1F ZINC000035502149 204992390 /nfs/dbraw/zinc/99/23/90/204992390.db2.gz ASMHJINGVGDWAO-NSHDSACASA-N 0 0 369.086 5.265 10 0 FKAERN CN[C@@H](c1cc(Cl)sc1Cl)c1cc(Br)ccc1F ZINC000035502150 208126358 /nfs/dbraw/zinc/12/63/58/208126358.db2.gz ASMHJINGVGDWAO-LLVKDONJSA-N 0 0 369.086 5.265 10 0 FKAERN CN[C@H](c1cc(Cl)sc1Cl)c1ccccc1Br ZINC000035502320 211638886 /nfs/dbraw/zinc/63/88/86/211638886.db2.gz FXBCUATZUYDCPJ-NSHDSACASA-N 0 0 351.096 5.126 10 0 FKAERN CN[C@H](c1cc(Cl)sc1Cl)c1ccc(F)cc1Br ZINC000035502346 208125974 /nfs/dbraw/zinc/12/59/74/208125974.db2.gz MGROOTKRWJEFIN-NSHDSACASA-N 0 0 369.086 5.265 10 0 FKAERN CCN[C@H](c1ccc(Br)o1)c1cc(Cl)sc1Cl ZINC000035559240 208130745 /nfs/dbraw/zinc/13/07/45/208130745.db2.gz RLVAGUDLKLCXNP-JTQLQIEISA-N 0 0 355.084 5.109 10 0 FKAERN CCN[C@H](c1ccc(Br)s1)c1cc(Cl)sc1Cl ZINC000035559245 208130772 /nfs/dbraw/zinc/13/07/72/208130772.db2.gz NPEGWIZYXRFSTM-JTQLQIEISA-N 0 0 371.152 5.578 10 0 FKAERN CCN[C@@H](c1cc(Cl)sc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000035559669 207212349 /nfs/dbraw/zinc/21/23/49/207212349.db2.gz DPJNFYBCXQJVML-GFCCVEGCSA-N 0 0 355.117 6.061 10 0 FKAERN CCN[C@H](c1cc(Cl)sc1Cl)c1cc(Cl)cc(Cl)c1 ZINC000035559825 207211122 /nfs/dbraw/zinc/21/11/22/207211122.db2.gz QTSAFXHSMSXXED-LBPRGKRZSA-N 0 0 355.117 6.061 10 0 FKAERN CCN[C@@H](c1cc(Cl)sc1Cl)c1cc(Cl)cc(Cl)c1 ZINC000035559828 204311944 /nfs/dbraw/zinc/31/19/44/204311944.db2.gz QTSAFXHSMSXXED-GFCCVEGCSA-N 0 0 355.117 6.061 10 0 FKAERN CC[C@H](Nc1ccccc1Br)c1ccc(Cl)cc1Cl ZINC000035625001 207234337 /nfs/dbraw/zinc/23/43/37/207234337.db2.gz FPEFYTCYKVIGKK-AWEZNQCLSA-N 0 0 359.094 6.319 10 0 FKAERN CC[C@@H](Nc1ccccc1Br)c1ccc(Cl)cc1Cl ZINC000035625003 207234342 /nfs/dbraw/zinc/23/43/42/207234342.db2.gz FPEFYTCYKVIGKK-CQSZACIVSA-N 0 0 359.094 6.319 10 0 FKAERN CC[C@H](Nc1cccc(Br)c1)c1ccc(Cl)cc1Cl ZINC000035625009 204330672 /nfs/dbraw/zinc/33/06/72/204330672.db2.gz RMHWHIBCOCUQFD-HNNXBMFYSA-N 0 0 359.094 6.319 10 0 FKAERN CC[C@@H](Nc1cccc(Br)c1)c1ccc(Cl)cc1Cl ZINC000035625011 207234278 /nfs/dbraw/zinc/23/42/78/207234278.db2.gz RMHWHIBCOCUQFD-OAHLLOKOSA-N 0 0 359.094 6.319 10 0 FKAERN CC(C)OP(=O)(OC(C)C)C(F)P(=O)(OC(C)C)OC(C)C ZINC000035653213 571184185 /nfs/dbraw/zinc/18/41/85/571184185.db2.gz XXNLZMODXBPUOM-UHFFFAOYSA-N 0 0 362.315 5.326 10 0 in-vitro FKAERN O=Cc1cc(Cl)c(OCc2cccc(Br)c2)c(Cl)c1 ZINC000035657463 203875307 /nfs/dbraw/zinc/87/53/07/203875307.db2.gz XZEOICMHJLKCHA-UHFFFAOYSA-N 0 0 360.034 5.147 10 0 FKAERN C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C/c1ccccc1)[C@@H]2O ZINC000035718204 208134632 /nfs/dbraw/zinc/13/46/32/208134632.db2.gz ZPIDDLUDNFHGDG-PHYSIQCHSA-N 0 0 360.497 5.303 10 0 FKAERN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C/c1ccccc1)[C@@H]2O ZINC000035718207 220794638 /nfs/dbraw/zinc/79/46/38/220794638.db2.gz ZPIDDLUDNFHGDG-FQXUOIPFSA-N 0 0 360.497 5.303 10 0 FKAERN C[C@@H](Nc1ccc(Br)cc1)c1c(Cl)ccc(F)c1Cl ZINC000035790302 210817192 /nfs/dbraw/zinc/81/71/92/210817192.db2.gz HSLRKLNIOCNUKD-MRVPVSSYSA-N 0 0 363.057 6.068 10 0 FKAERN Fc1ccc(-c2cn(-c3ccc(Cl)cc3)c3ncnc(Cl)c23)cc1 ZINC000035791102 204998228 /nfs/dbraw/zinc/99/82/28/204998228.db2.gz WODKWLSVKBNSSB-UHFFFAOYSA-N 0 0 358.203 5.533 10 0 FKAERN C[C@@H](c1ccccc1)n1c(C(=O)NCCc2ccccc2)cc2ccsc21 ZINC000035843908 208136884 /nfs/dbraw/zinc/13/68/84/208136884.db2.gz CNWRSDBWARTSBR-KRWDZBQOSA-N 0 0 374.509 5.285 10 0 FKAERN C[C@H](c1ccccc1)n1c(C(=O)NCCc2ccccc2)cc2ccsc21 ZINC000035843909 571206831 /nfs/dbraw/zinc/20/68/31/571206831.db2.gz CNWRSDBWARTSBR-QGZVFWFLSA-N 0 0 374.509 5.285 10 0 FKAERN Cc1ccc([C@@H](CC(=O)NCc2ccccc2)c2c[nH]c3ccccc32)cc1 ZINC000035888443 571208572 /nfs/dbraw/zinc/20/85/72/571208572.db2.gz VHPOHUDSBAJLFT-JOCHJYFZSA-N 0 0 368.480 5.315 10 0 FKAERN Cc1ccc([C@H](CC(=O)NCc2ccccc2)c2c[nH]c3ccccc32)cc1 ZINC000035888444 571208532 /nfs/dbraw/zinc/20/85/32/571208532.db2.gz VHPOHUDSBAJLFT-QFIPXVFZSA-N 0 0 368.480 5.315 10 0 FKAERN COc1ccccc1Nc1nnc2cc(-c3c(C)cccc3C)cc(C)c2n1 ZINC000035906977 208137705 /nfs/dbraw/zinc/13/77/05/208137705.db2.gz KDWPMSHIURZDIJ-UHFFFAOYSA-N 0 0 370.456 5.369 10 0 FKAERN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1)c1ccccc1 ZINC000035950287 206813115 /nfs/dbraw/zinc/81/31/15/206813115.db2.gz SSTHGODKLRUSLF-HXUWFJFHSA-N 0 0 359.856 6.226 10 0 FKAERN Cc1ccc(-c2cc(CN(CC(C)C)C(=O)c3cccs3)no2)c(C)c1 ZINC000036012333 208141663 /nfs/dbraw/zinc/14/16/63/208141663.db2.gz CCCRUWHGPSLEBV-UHFFFAOYSA-N 0 0 368.502 5.318 10 0 FKAERN Cc1ccc(C(=O)N(Cc2cc(-c3ccco3)on2)Cc2ccccc2)cc1 ZINC000036016305 205000767 /nfs/dbraw/zinc/00/07/67/205000767.db2.gz BTNUXZQIXNCXAW-UHFFFAOYSA-N 0 0 372.424 5.086 10 0 FKAERN Brc1ccc2c(Br)cc(-c3ccccc3)nc2c1 ZINC000036075443 205004203 /nfs/dbraw/zinc/00/42/03/205004203.db2.gz MQNXYDJUTGMUFJ-UHFFFAOYSA-N 0 0 363.052 5.427 10 0 FKAERN Brc1cccc2c(Br)cc(-c3ccccc3)nc12 ZINC000036075444 205003585 /nfs/dbraw/zinc/00/35/85/205003585.db2.gz NZVJLWFDRWYUKU-UHFFFAOYSA-N 0 0 363.052 5.427 10 0 FKAERN FC(F)(F)c1cccc2c(Br)cc(-c3ccccc3)nc21 ZINC000036075447 206812295 /nfs/dbraw/zinc/81/22/95/206812295.db2.gz CWJBLRGBXVFMFK-UHFFFAOYSA-N 0 0 352.153 5.683 10 0 FKAERN Clc1cc2nc(-c3ccccc3)cc(Br)c2cc1Cl ZINC000036075454 203931403 /nfs/dbraw/zinc/93/14/03/203931403.db2.gz DFIFCEZNKBXDAS-UHFFFAOYSA-N 0 0 353.046 5.971 10 0 FKAERN Clc1cc(Cl)c2nc(-c3ccccc3)cc(Br)c2c1 ZINC000036075455 203930690 /nfs/dbraw/zinc/93/06/90/203930690.db2.gz KGFWSEUFJDTDFA-UHFFFAOYSA-N 0 0 353.046 5.971 10 0 FKAERN FC(F)(F)Oc1ccc2nc(-c3ccccc3)cc(Br)c2c1 ZINC000036075672 220801284 /nfs/dbraw/zinc/80/12/84/220801284.db2.gz RZHFFTJVRIEAKC-UHFFFAOYSA-N 0 0 368.152 5.563 10 0 FKAERN FC(F)(F)Oc1ccc2c(Br)cc(-c3ccccc3)nc2c1 ZINC000036075674 203930745 /nfs/dbraw/zinc/93/07/45/203930745.db2.gz JUCLZTUAGIDJSW-UHFFFAOYSA-N 0 0 368.152 5.563 10 0 FKAERN FC(F)(F)Oc1cccc2c(Br)cc(-c3ccccc3)nc12 ZINC000036075676 210246368 /nfs/dbraw/zinc/24/63/68/210246368.db2.gz LTWPKGBUVJGUGD-UHFFFAOYSA-N 0 0 368.152 5.563 10 0 FKAERN CC(C)C(=O)N(Cc1csc(COc2ccccc2C(C)C)n1)C(C)C ZINC000036104961 205005948 /nfs/dbraw/zinc/00/59/48/205005948.db2.gz ZOIYKKJTEHKCMI-UHFFFAOYSA-N 0 0 374.550 5.239 10 0 FKAERN CCc1cccc(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c43)cc2)c1 ZINC000036176967 220805492 /nfs/dbraw/zinc/80/54/92/220805492.db2.gz BNFKHGHCITYDOT-UHFFFAOYSA-N 0 0 371.444 5.019 10 0 FKAERN CCOc1ccccc1CN1CCCn2cccc2[C@@H]1c1ccc(F)cc1 ZINC000036347642 571248713 /nfs/dbraw/zinc/24/87/13/571248713.db2.gz DBTZHYOINPSRIG-QHCPKHFHSA-N 0 0 364.464 5.021 10 0 FKAERN CCOc1ccccc1CN1CCCn2cccc2[C@H]1c1ccc(F)cc1 ZINC000036347643 571248784 /nfs/dbraw/zinc/24/87/84/571248784.db2.gz DBTZHYOINPSRIG-HSZRJFAPSA-N 0 0 364.464 5.021 10 0 FKAERN CC(C)c1cc(Oc2cccc(F)c2)nc(SCc2ccccc2F)n1 ZINC000036349524 205010478 /nfs/dbraw/zinc/01/04/78/205010478.db2.gz OJKWLPYUUSRMAG-UHFFFAOYSA-N 0 0 372.440 5.963 10 0 FKAERN Cc1ccc(Oc2cc(C(C)C)nc(SCc3ccccc3)n2)cc1C ZINC000036349580 208155801 /nfs/dbraw/zinc/15/58/01/208155801.db2.gz SJDHZKPKWKZPCB-UHFFFAOYSA-N 0 0 364.514 6.301 10 0 FKAERN Cc1ccc(CSc2nc(Oc3ccccc3)cc(C(C)C)n2)cc1 ZINC000036349600 208156159 /nfs/dbraw/zinc/15/61/59/208156159.db2.gz OMULPCCYRFKWOK-UHFFFAOYSA-N 0 0 350.487 5.993 10 0 FKAERN Cc1ccccc1CSc1nc(Oc2ccccc2C)cc(C(C)C)n1 ZINC000036349684 220813179 /nfs/dbraw/zinc/81/31/79/220813179.db2.gz NXVYGJNMNOWVGH-UHFFFAOYSA-N 0 0 364.514 6.301 10 0 FKAERN CCc1cc(Oc2ccc(C)cc2)nc(SCc2ccccc2F)n1 ZINC000036349878 571249300 /nfs/dbraw/zinc/24/93/00/571249300.db2.gz XQRHDCIGLZCFDY-UHFFFAOYSA-N 0 0 354.450 5.571 10 0 FKAERN CCc1cc(Oc2ccc(F)cc2)nc(SCc2ccccc2F)n1 ZINC000036349882 208154298 /nfs/dbraw/zinc/15/42/98/208154298.db2.gz WLXNXDXJLSBZOZ-UHFFFAOYSA-N 0 0 358.413 5.402 10 0 FKAERN CCc1cc(Oc2ccc(C)cc2)nc(SCc2ccc(F)cc2)n1 ZINC000036349899 208153517 /nfs/dbraw/zinc/15/35/17/208153517.db2.gz AINRYLRCVRHIMM-UHFFFAOYSA-N 0 0 354.450 5.571 10 0 FKAERN CCc1cc(Oc2ccccc2F)nc(SCc2cccc(OC)c2)n1 ZINC000036350217 205011019 /nfs/dbraw/zinc/01/10/19/205011019.db2.gz ZFLNORAFGUJDEE-UHFFFAOYSA-N 0 0 370.449 5.271 10 0 FKAERN O=C(NCc1ccccc1)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000036423796 210246376 /nfs/dbraw/zinc/24/63/76/210246376.db2.gz NLUIIGCDCXUJDV-UHFFFAOYSA-N 0 0 360.844 5.418 10 0 FKAERN CCC(=O)Nc1nc(C)c(Cc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000036639181 220824349 /nfs/dbraw/zinc/82/43/49/220824349.db2.gz AEEHRKPASXQJGO-UHFFFAOYSA-N 0 0 362.804 5.063 10 0 FKAERN CCCCC(=O)Nc1nc(C)c(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000036639213 220824818 /nfs/dbraw/zinc/82/48/18/220824818.db2.gz LQBPHIBLAWCLDY-UHFFFAOYSA-N 0 0 357.306 5.478 10 0 FKAERN CCCCC(=O)Nc1nc(C)c(Cc2cc(Cl)ccc2Cl)s1 ZINC000036639214 205019859 /nfs/dbraw/zinc/01/98/59/205019859.db2.gz MWXLJCWPTQPARL-UHFFFAOYSA-N 0 0 357.306 5.478 10 0 FKAERN Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1Cc1ccc(F)cc1 ZINC000036639316 205019273 /nfs/dbraw/zinc/01/92/73/205019273.db2.gz WAYXCLFRRNJSLX-UHFFFAOYSA-N 0 0 360.841 5.087 10 0 FKAERN Cc1nc(NC(=O)c2ccco2)sc1Cc1ccc(Cl)c(Cl)c1 ZINC000036639519 205019503 /nfs/dbraw/zinc/01/95/03/205019503.db2.gz QUKNXJYPEGCNCM-UHFFFAOYSA-N 0 0 367.257 5.194 10 0 FKAERN Cc1nc(NC(=O)c2ccco2)sc1Cc1cc(Cl)ccc1Cl ZINC000036639520 220826287 /nfs/dbraw/zinc/82/62/87/220826287.db2.gz DVKJFKXIQLRLNP-UHFFFAOYSA-N 0 0 367.257 5.194 10 0 FKAERN Cc1nc(NC(=O)c2ccccc2OC(C)C)sc1Cc1ccccc1 ZINC000036639564 208169469 /nfs/dbraw/zinc/16/94/69/208169469.db2.gz PXQKNABFKPTCEV-UHFFFAOYSA-N 0 0 366.486 5.082 10 0 FKAERN Cc1nc(NC(=O)c2cc3ccccc3o2)sc1Cc1ccc(F)cc1 ZINC000036639765 208169890 /nfs/dbraw/zinc/16/98/90/208169890.db2.gz YPDDSPHPGSCJIS-UHFFFAOYSA-N 0 0 366.417 5.180 10 0 FKAERN Cc1ccc(CCC(=O)Nc2nc(C)c(Cc3cccc(Cl)c3)s2)o1 ZINC000036639881 205020144 /nfs/dbraw/zinc/02/01/44/205020144.db2.gz KFRNIAJEPNFCLE-UHFFFAOYSA-N 0 0 374.893 5.168 10 0 FKAERN Cc1ccc(CCC(=O)Nc2nc(C)c(Cc3ccccc3Cl)s2)o1 ZINC000036639882 208170031 /nfs/dbraw/zinc/17/00/31/208170031.db2.gz KNUOZVMNOCWGTD-UHFFFAOYSA-N 0 0 374.893 5.168 10 0 FKAERN Cc1nc(NC(=O)c2csc3c2CCCC3)sc1Cc1ccccc1 ZINC000036639892 211672913 /nfs/dbraw/zinc/67/29/13/211672913.db2.gz NNFTVOQCUKRRAJ-UHFFFAOYSA-N 0 0 368.527 5.235 10 0 FKAERN Cc1nc(NC(=O)c2oc3ccccc3c2C)sc1Cc1ccccc1 ZINC000036639944 205019719 /nfs/dbraw/zinc/01/97/19/205019719.db2.gz IDQQICARMRBIIU-UHFFFAOYSA-N 0 0 362.454 5.349 10 0 FKAERN Cc1nc(NC(=O)c2ccc(C)cc2)sc1Cc1ccc(Cl)cc1 ZINC000036639968 211672697 /nfs/dbraw/zinc/67/26/97/211672697.db2.gz AKPLZKAOFHJQDS-UHFFFAOYSA-N 0 0 356.878 5.256 10 0 FKAERN Cc1nc(NC(=O)c2ccc(C)cc2)sc1Cc1cccc(Cl)c1 ZINC000036639969 211672955 /nfs/dbraw/zinc/67/29/55/211672955.db2.gz DCQALJDUMDZUCJ-UHFFFAOYSA-N 0 0 356.878 5.256 10 0 FKAERN Cc1cc2nc(NC(=O)c3ccc(C(F)(F)F)cc3)sc2c(C)c1 ZINC000036695223 205020431 /nfs/dbraw/zinc/02/04/31/205020431.db2.gz VQJZGKQIYYDCTC-UHFFFAOYSA-N 0 0 350.365 5.184 10 0 FKAERN FC(F)(F)c1cc(NCc2ccc(Br)o2)ccc1Cl ZINC000036720497 204383422 /nfs/dbraw/zinc/38/34/22/204383422.db2.gz SCKRUXXGGAVGAU-UHFFFAOYSA-N 0 0 354.553 5.326 10 0 FKAERN C[C@H](Nc1cc(Br)ccc1F)c1cc(Cl)ccc1Cl ZINC000036751220 204389065 /nfs/dbraw/zinc/38/90/65/204389065.db2.gz BWBBGANIOVYPOO-QMMMGPOBSA-N 0 0 363.057 6.068 10 0 FKAERN C[C@@H](Nc1cc(Br)ccc1F)c1cc(Cl)ccc1Cl ZINC000036751225 207292091 /nfs/dbraw/zinc/29/20/91/207292091.db2.gz BWBBGANIOVYPOO-MRVPVSSYSA-N 0 0 363.057 6.068 10 0 FKAERN C[C@H](Nc1cc(Br)ccc1F)c1ccccc1Br ZINC000036751281 208171526 /nfs/dbraw/zinc/17/15/26/208171526.db2.gz MJSLUCGGLUMGQI-VIFPVBQESA-N 0 0 373.063 5.524 10 0 FKAERN C[C@@H](Nc1cc(Br)ccc1F)c1cccc(Br)c1 ZINC000036751383 208171704 /nfs/dbraw/zinc/17/17/04/208171704.db2.gz FCUNUODBMHZLRD-SECBINFHSA-N 0 0 373.063 5.524 10 0 FKAERN C[C@H](Nc1cc(Br)ccc1F)c1ccc(Br)cc1 ZINC000036751390 205020951 /nfs/dbraw/zinc/02/09/51/205020951.db2.gz XGSQMBZORKVFMG-VIFPVBQESA-N 0 0 373.063 5.524 10 0 FKAERN C[C@@H](Nc1cc(Br)ccc1F)c1ccc(Br)cc1 ZINC000036751393 208171651 /nfs/dbraw/zinc/17/16/51/208171651.db2.gz XGSQMBZORKVFMG-SECBINFHSA-N 0 0 373.063 5.524 10 0 FKAERN Fc1ccc(Br)cc1Nc1nc2cc(Cl)ccc2s1 ZINC000036752783 207291843 /nfs/dbraw/zinc/29/18/43/207291843.db2.gz MBJHJNHFJVXMJE-UHFFFAOYSA-N 0 0 357.635 5.595 10 0 FKAERN COc1ccc(Br)cc1CNc1cc(Cl)ccc1Cl ZINC000036804458 207298330 /nfs/dbraw/zinc/29/83/30/207298330.db2.gz CPZKRSXLDWYNOP-UHFFFAOYSA-N 0 0 361.066 5.377 10 0 FKAERN Cc1ccc(-n2c(=S)[nH]c3cc(Cl)ccc32)c(Br)c1 ZINC000036889805 207314170 /nfs/dbraw/zinc/31/41/70/207314170.db2.gz HXKBIIOYNOYERM-UHFFFAOYSA-N 0 0 353.672 5.412 10 0 FKAERN Fc1cc(Br)ccc1-n1c(=S)[nH]c2cccc(Cl)c21 ZINC000036897965 220830257 /nfs/dbraw/zinc/83/02/57/220830257.db2.gz PFCVKHDHCMVTKP-UHFFFAOYSA-N 0 0 357.635 5.243 10 0 FKAERN Clc1cc2cccnc2c(NCc2csc(Br)c2)c1 ZINC000036918573 204414064 /nfs/dbraw/zinc/41/40/64/204414064.db2.gz WWJMNSAHJDIIQW-UHFFFAOYSA-N 0 0 353.672 5.324 10 0 FKAERN Clc1ccc2scnc2c1NCc1ccc(Br)cc1 ZINC000036922974 207325339 /nfs/dbraw/zinc/32/53/39/207325339.db2.gz ODTVWPQFYOFTMC-UHFFFAOYSA-N 0 0 353.672 5.324 10 0 FKAERN FC(F)(F)Sc1ccccc1NCc1ccc(Br)s1 ZINC000036934402 207329775 /nfs/dbraw/zinc/32/97/75/207329775.db2.gz WZRVGBRVTZFSMV-UHFFFAOYSA-N 0 0 368.243 5.735 10 0 FKAERN Nc1cccc(Br)c1CSc1ccccc1Br ZINC000036964714 208173981 /nfs/dbraw/zinc/17/39/81/208173981.db2.gz GXTOFZQLCVQXLE-UHFFFAOYSA-N 0 0 373.113 5.086 10 0 FKAERN CCOc1c(Br)cc(Cl)cc1NCc1ccc(C)s1 ZINC000036989178 207385078 /nfs/dbraw/zinc/38/50/78/207385078.db2.gz MDIXZNCYKRKJRM-UHFFFAOYSA-N 0 0 360.704 5.483 10 0 FKAERN CCC[C@H](C)CNc1cc(Cl)cc(Br)c1OC(F)F ZINC000036989649 204471560 /nfs/dbraw/zinc/47/15/60/204471560.db2.gz RJGFJFNRWADYBO-QMMMGPOBSA-N 0 0 356.638 5.552 10 0 FKAERN CC[C@@H](C)[C@@H](C)Nc1cc(Cl)cc(Br)c1OC(F)F ZINC000036989653 207385348 /nfs/dbraw/zinc/38/53/48/207385348.db2.gz AGURGBPTRFNPHU-HTQZYQBOSA-N 0 0 356.638 5.550 10 0 FKAERN CC[C@H](C)[C@@H](C)Nc1cc(Cl)cc(Br)c1OC(F)F ZINC000036989654 207384873 /nfs/dbraw/zinc/38/48/73/207384873.db2.gz AGURGBPTRFNPHU-JGVFFNPUSA-N 0 0 356.638 5.550 10 0 FKAERN FC(F)Oc1c(Br)cc(Cl)cc1NCc1cccs1 ZINC000036989700 204471746 /nfs/dbraw/zinc/47/17/46/204471746.db2.gz AFSAOHAUVZBBAX-UHFFFAOYSA-N 0 0 368.630 5.378 10 0 FKAERN Cc1ccc(N[C@@H](C)c2ccc(F)c(F)c2)cc1I ZINC000037055918 207424190 /nfs/dbraw/zinc/42/41/90/207424190.db2.gz IGZRRSLPHKJJOE-JTQLQIEISA-N 0 0 373.184 5.051 10 0 FKAERN Cc1ccc(N[C@H](C)c2ccc(F)c(F)c2)cc1I ZINC000037055919 220833714 /nfs/dbraw/zinc/83/37/14/220833714.db2.gz IGZRRSLPHKJJOE-SNVBAGLBSA-N 0 0 373.184 5.051 10 0 FKAERN Cc1ccc(N[C@H](C)c2ccc(F)cc2F)cc1I ZINC000037055921 210996619 /nfs/dbraw/zinc/99/66/19/210996619.db2.gz STOHLZYNBOSGFT-SNVBAGLBSA-N 0 0 373.184 5.051 10 0 FKAERN CCc1ccc([C@H](C)Nc2ccc(I)cc2C)cc1 ZINC000037057290 204499716 /nfs/dbraw/zinc/49/97/16/204499716.db2.gz GXDFOJVXJZDTIX-ZDUSSCGKSA-N 0 0 365.258 5.335 10 0 FKAERN Cc1cc(I)ccc1N[C@@H](C)CCc1ccccc1 ZINC000037057349 207425637 /nfs/dbraw/zinc/42/56/37/207425637.db2.gz FGPHUMIIYBLUNG-AWEZNQCLSA-N 0 0 365.258 5.033 10 0 FKAERN CC[C@@H](Nc1ccc(I)cc1C)c1ccc(F)cc1 ZINC000037057411 220833821 /nfs/dbraw/zinc/83/38/21/220833821.db2.gz RPAMFYLIIBTBKM-OAHLLOKOSA-N 0 0 369.221 5.302 10 0 FKAERN FC(F)(F)Sc1ccc(NCc2csc(Br)c2)cc1 ZINC000037067997 211002533 /nfs/dbraw/zinc/00/25/33/211002533.db2.gz JPRGPOHIEHSKBT-UHFFFAOYSA-N 0 0 368.243 5.735 10 0 FKAERN CC[C@@H](Nc1cc(Cl)ccc1Cl)c1cccc(Br)c1 ZINC000037188162 211037972 /nfs/dbraw/zinc/03/79/72/211037972.db2.gz FEVMQAAGRQWCNR-CQSZACIVSA-N 0 0 359.094 6.319 10 0 FKAERN CC(C)c1ccc(N[C@H](C)c2ccc(I)cc2)cc1 ZINC000037199959 204537305 /nfs/dbraw/zinc/53/73/05/204537305.db2.gz LJUNMSJWLFVMPG-CYBMUJFWSA-N 0 0 365.258 5.588 10 0 FKAERN CC[C@@H](Nc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1 ZINC000037200422 211040386 /nfs/dbraw/zinc/04/03/86/211040386.db2.gz HUGDLIUYVGVPPX-OAHLLOKOSA-N 0 0 359.094 6.319 10 0 FKAERN C[C@@H](Nc1ccc(Cl)c(Cl)c1)c1ccc(F)c(Br)c1 ZINC000037200460 207468030 /nfs/dbraw/zinc/46/80/30/207468030.db2.gz PBOALIIEJJBJDW-MRVPVSSYSA-N 0 0 363.057 6.068 10 0 FKAERN CC[C@@H](Nc1ccccc1Br)c1ccc(Cl)c(Cl)c1 ZINC000037203357 211040241 /nfs/dbraw/zinc/04/02/41/211040241.db2.gz ZFKRUPCMPULECK-CQSZACIVSA-N 0 0 359.094 6.319 10 0 FKAERN Clc1ccc2c(c1)[C@H](Nc1ccc(Br)cc1)CCS2 ZINC000037203642 211041249 /nfs/dbraw/zinc/04/12/49/211041249.db2.gz JSCSHWYSRPQXON-CQSZACIVSA-N 0 0 354.700 5.752 10 0 FKAERN C[C@H](Nc1cccc(Br)c1)c1cc(F)c(Cl)cc1Cl ZINC000037203814 204537438 /nfs/dbraw/zinc/53/74/38/204537438.db2.gz FBNKDYPQCJVTJW-QMMMGPOBSA-N 0 0 363.057 6.068 10 0 FKAERN C[C@@H](Nc1cccc(Br)c1)c1cc(F)c(Cl)cc1Cl ZINC000037203815 220834116 /nfs/dbraw/zinc/83/41/16/220834116.db2.gz FBNKDYPQCJVTJW-MRVPVSSYSA-N 0 0 363.057 6.068 10 0 FKAERN Brc1cccc(NC(c2cccs2)c2cccs2)c1 ZINC000037203831 211040464 /nfs/dbraw/zinc/04/04/64/211040464.db2.gz YFERQAIDGHMKNB-UHFFFAOYSA-N 0 0 350.306 5.774 10 0 FKAERN CC(C)(C)c1nc(CSc2ccc(Br)cc2N)cs1 ZINC000037205311 211041083 /nfs/dbraw/zinc/04/10/83/211041083.db2.gz SKVWWGWENAAULU-UHFFFAOYSA-N 0 0 357.342 5.078 10 0 FKAERN Nc1cc(Br)ccc1SCc1ccc(Cl)cc1Cl ZINC000037205810 208178282 /nfs/dbraw/zinc/17/82/82/208178282.db2.gz LMTAWAKKWYWYEK-UHFFFAOYSA-N 0 0 363.107 5.630 10 0 FKAERN Cc1ccc(Nc2nc3cc(Br)ccc3s2)cc1Cl ZINC000037206258 211040281 /nfs/dbraw/zinc/04/02/81/211040281.db2.gz WYMTZNCBDUVSAF-UHFFFAOYSA-N 0 0 353.672 5.764 10 0 FKAERN Cc1ccc(Nc2nc3cccc(Cl)c3s2)c(Br)c1 ZINC000037206270 211041645 /nfs/dbraw/zinc/04/16/45/211041645.db2.gz UARYFCLZOUIASS-UHFFFAOYSA-N 0 0 353.672 5.764 10 0 FKAERN Cc1ccc(Nc2nc3cc(Cl)ccc3s2)c(Br)c1 ZINC000037206273 211041238 /nfs/dbraw/zinc/04/12/38/211041238.db2.gz GGUHLKITBBVRFL-UHFFFAOYSA-N 0 0 353.672 5.764 10 0 FKAERN Cc1cc(Br)ccc1Nc1nc2cccc(Cl)c2s1 ZINC000037206360 220834075 /nfs/dbraw/zinc/83/40/75/220834075.db2.gz WUHAADBGYQOYKB-UHFFFAOYSA-N 0 0 353.672 5.764 10 0 FKAERN Clc1ccccc1CNc1nc2cc(Br)ccc2s1 ZINC000037206423 207469012 /nfs/dbraw/zinc/46/90/12/207469012.db2.gz RRRJBNNRHZDAFI-UHFFFAOYSA-N 0 0 353.672 5.324 10 0 FKAERN Clc1ccc2sc(Nc3ccc(Br)cc3Cl)nc2c1 ZINC000037206886 207468684 /nfs/dbraw/zinc/46/86/84/207468684.db2.gz MPOJBNAWMCYHSD-UHFFFAOYSA-N 0 0 374.090 6.109 10 0 FKAERN Cc1ccc([C@H](Nc2ccc(I)cc2)C2CC2)cc1 ZINC000037247542 211075288 /nfs/dbraw/zinc/07/52/88/211075288.db2.gz WFJBBYLNOPGAIU-KRWDZBQOSA-N 0 0 363.242 5.163 10 0 FKAERN Cc1ccc([C@@H](Nc2ccc(I)cc2)C2CC2)cc1 ZINC000037247544 204566613 /nfs/dbraw/zinc/56/66/13/204566613.db2.gz WFJBBYLNOPGAIU-QGZVFWFLSA-N 0 0 363.242 5.163 10 0 FKAERN Cc1ccc([C@H](Nc2ccccc2I)C2CC2)cc1 ZINC000037248290 220833009 /nfs/dbraw/zinc/83/30/09/220833009.db2.gz YYBPXZDLZFSSNH-KRWDZBQOSA-N 0 0 363.242 5.163 10 0 FKAERN Cc1ccc([C@@H](Nc2ccccc2I)C2CC2)cc1 ZINC000037248292 211075645 /nfs/dbraw/zinc/07/56/45/211075645.db2.gz YYBPXZDLZFSSNH-QGZVFWFLSA-N 0 0 363.242 5.163 10 0 FKAERN Cc1ccc(CNc2c(Cl)cc(Br)cc2Cl)cc1C ZINC000037249154 211075482 /nfs/dbraw/zinc/07/54/82/211075482.db2.gz LUOWQMJCKCMRSL-UHFFFAOYSA-N 0 0 359.094 5.985 10 0 FKAERN CCCc1ccccc1N[C@@H](C)c1ccc(I)cc1 ZINC000037282281 220832825 /nfs/dbraw/zinc/83/28/25/220832825.db2.gz LTDNRKBBKHFUMK-ZDUSSCGKSA-N 0 0 365.258 5.417 10 0 FKAERN CCCc1ccccc1N[C@H](C)c1ccc(I)cc1 ZINC000037282283 211091370 /nfs/dbraw/zinc/09/13/70/211091370.db2.gz LTDNRKBBKHFUMK-CYBMUJFWSA-N 0 0 365.258 5.417 10 0 FKAERN CCCC[C@@H](C)Nc1cc(Cl)cc(Br)c1OC(F)F ZINC000037284080 207515798 /nfs/dbraw/zinc/51/57/98/207515798.db2.gz FJLVGELZTLULIS-MRVPVSSYSA-N 0 0 356.638 5.695 10 0 FKAERN CCCC[C@H](C)Nc1cc(Cl)cc(Br)c1OC(F)F ZINC000037284081 204579913 /nfs/dbraw/zinc/57/99/13/204579913.db2.gz FJLVGELZTLULIS-QMMMGPOBSA-N 0 0 356.638 5.695 10 0 FKAERN O=C(c1ccc(Br)cc1)c1cc(Br)ccc1Cl ZINC000037287662 208178929 /nfs/dbraw/zinc/17/89/29/208178929.db2.gz MFJOTNLAQRYFQS-UHFFFAOYSA-N 0 0 374.459 5.096 10 0 FKAERN O=C(c1csc2ccccc12)c1cc(Br)ccc1Cl ZINC000037287694 220835100 /nfs/dbraw/zinc/83/51/00/220835100.db2.gz MVZANTMCHDJDRW-UHFFFAOYSA-N 0 0 351.652 5.548 10 0 FKAERN Nc1cc(F)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000037288628 211092457 /nfs/dbraw/zinc/09/24/57/211092457.db2.gz ZJZYBVBZWFIGGC-UHFFFAOYSA-N 0 0 365.029 5.056 10 0 FKAERN Cc1ccc(N[C@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1I ZINC000037296829 211092838 /nfs/dbraw/zinc/09/28/38/211092838.db2.gz OQBYEMNTEFNUJL-ZNMIVQPWSA-N 0 0 369.290 5.370 10 0 FKAERN Cc1ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1I ZINC000037296831 211092385 /nfs/dbraw/zinc/09/23/85/211092385.db2.gz OQBYEMNTEFNUJL-RBSFLKMASA-N 0 0 369.290 5.370 10 0 FKAERN Cc1ccc(N[C@H]2CC[C@H]3CCCC[C@@H]3C2)cc1I ZINC000037296833 211092885 /nfs/dbraw/zinc/09/28/85/211092885.db2.gz OQBYEMNTEFNUJL-KFWWJZLASA-N 0 0 369.290 5.370 10 0 FKAERN Cc1cc(I)ccc1N[C@H](c1ccccc1)C(C)C ZINC000037297802 211092866 /nfs/dbraw/zinc/09/28/66/211092866.db2.gz UNBZYZFXQNULNK-KRWDZBQOSA-N 0 0 365.258 5.409 10 0 FKAERN COc1ccc(Br)cc1CNc1cccc(Cl)c1Cl ZINC000037301834 211096214 /nfs/dbraw/zinc/09/62/14/211096214.db2.gz LHZQRWYJMNAAOO-UHFFFAOYSA-N 0 0 361.066 5.377 10 0 FKAERN C[C@H](Nc1cccc(Cl)c1N(C)C)c1sccc1Br ZINC000037315938 220834776 /nfs/dbraw/zinc/83/47/76/220834776.db2.gz AJDFZFNGHCUJSV-VIFPVBQESA-N 0 0 359.720 5.403 10 0 FKAERN CC[C@@H](C)c1ccc(C(=O)c2cccc(I)c2)cc1 ZINC000037354900 208178732 /nfs/dbraw/zinc/17/87/32/208178732.db2.gz SXXUHYIZCUKXJV-GFCCVEGCSA-N 0 0 364.226 5.036 10 0 FKAERN CC[C@H](C)c1ccc(C(=O)c2cccc(I)c2)cc1 ZINC000037354902 205025076 /nfs/dbraw/zinc/02/50/76/205025076.db2.gz SXXUHYIZCUKXJV-LBPRGKRZSA-N 0 0 364.226 5.036 10 0 FKAERN Cc1ccc(Br)cc1-n1c(=S)[nH]c2cccc(Cl)c21 ZINC000037368765 220836226 /nfs/dbraw/zinc/83/62/26/220836226.db2.gz DDSMPCKULVKUBF-UHFFFAOYSA-N 0 0 353.672 5.412 10 0 FKAERN Cc1ccc(C(=O)c2cc(Br)sc2Br)c(C)c1 ZINC000037379924 208180174 /nfs/dbraw/zinc/18/01/74/208180174.db2.gz QOFFWMGMLBSBKE-UHFFFAOYSA-N 0 0 374.097 5.121 10 0 FKAERN Clc1cccc(CNc2ccc(Br)cc2Cl)c1Cl ZINC000037392170 211679824 /nfs/dbraw/zinc/67/98/24/211679824.db2.gz ZSLSEZBFAUICPC-UHFFFAOYSA-N 0 0 365.485 6.021 10 0 FKAERN CC[C@H](Nc1ccc(Br)cc1Cl)c1ccc(Cl)cc1 ZINC000037392264 220835462 /nfs/dbraw/zinc/83/54/62/220835462.db2.gz AKBJRNMFQSUPSB-AWEZNQCLSA-N 0 0 359.094 6.319 10 0 FKAERN Fc1cc(F)c(NCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000037392815 211160550 /nfs/dbraw/zinc/16/05/50/211160550.db2.gz RAFSDKFOHZWQDR-UHFFFAOYSA-N 0 0 367.020 5.646 10 0 FKAERN Fc1ccc(CNc2c(F)cc(F)cc2Br)c(Cl)c1 ZINC000037392966 211161414 /nfs/dbraw/zinc/16/14/14/211161414.db2.gz MOPRKTBRUSZDQL-UHFFFAOYSA-N 0 0 350.565 5.132 10 0 FKAERN Nc1cccc(Br)c1CSc1cc(Cl)ccc1Cl ZINC000037402356 208180553 /nfs/dbraw/zinc/18/05/53/208180553.db2.gz XDFOVFLKRXHFPZ-UHFFFAOYSA-N 0 0 363.107 5.630 10 0 FKAERN O=C(NCc1ccc(F)cc1)c1cncc(-c2cc3ccccc3s2)c1 ZINC000037509648 571150107 /nfs/dbraw/zinc/15/01/07/571150107.db2.gz GGIGYFCOBGEXOZ-UHFFFAOYSA-N 0 0 362.429 5.032 10 0 FKAERN COc1ccccc1Oc1cc(C)nc(SCc2cccc(C)c2)n1 ZINC000037509945 211681821 /nfs/dbraw/zinc/68/18/21/211681821.db2.gz GWYXJJDLCGCUEW-UHFFFAOYSA-N 0 0 352.459 5.187 10 0 FKAERN CCc1cc(Oc2cccc(C)c2)nc(SCc2cc(F)cc(F)c2)n1 ZINC000037509986 208181401 /nfs/dbraw/zinc/18/14/01/208181401.db2.gz SIONINLAKQZVQW-UHFFFAOYSA-N 0 0 372.440 5.710 10 0 FKAERN COc1cccc(Oc2cc(C)nc(SCc3ccc(F)c(F)c3)n2)c1 ZINC000037511184 205026959 /nfs/dbraw/zinc/02/69/59/205026959.db2.gz RJZIEEBSESRXIR-UHFFFAOYSA-N 0 0 374.412 5.156 10 0 FKAERN C[C@H](Nc1ccc(Br)cc1C(F)(F)F)c1cccs1 ZINC000037518747 211215739 /nfs/dbraw/zinc/21/57/39/211215739.db2.gz COCOQTOXQDMWJV-QMMMGPOBSA-N 0 0 350.203 5.703 10 0 FKAERN FC(F)(F)c1ccc([C@@H]2c3cccn3CCCN2Cc2ccco2)cc1 ZINC000037522415 208181228 /nfs/dbraw/zinc/18/12/28/208181228.db2.gz LLIJMPZOURKIKY-LJQANCHMSA-N 0 0 360.379 5.095 10 0 FKAERN FC(F)(F)c1cccc([C@H]2c3cccn3CCCN2Cc2ccoc2)c1 ZINC000037523136 205027712 /nfs/dbraw/zinc/02/77/12/205027712.db2.gz GFDIRRZDWYYMER-IBGZPJMESA-N 0 0 360.379 5.095 10 0 FKAERN Clc1ccc([C@@H]2c3cccn3CCCN2Cc2ccncc2)cc1Cl ZINC000037523505 208180483 /nfs/dbraw/zinc/18/04/83/208180483.db2.gz BMQGMNLMZDSPNN-HXUWFJFHSA-N 0 0 372.299 5.185 10 0 FKAERN Cc1ccccc1CN1CCCn2cccc2[C@@H]1c1cc(F)c(F)cc1F ZINC000037523790 208182040 /nfs/dbraw/zinc/18/20/40/208182040.db2.gz LVBUWZGAWPCHLU-QFIPXVFZSA-N 0 0 370.418 5.209 10 0 FKAERN Cc1ccccc1CN1CCCn2cccc2[C@H]1c1cc(F)c(F)cc1F ZINC000037523791 208182961 /nfs/dbraw/zinc/18/29/61/208182961.db2.gz LVBUWZGAWPCHLU-JOCHJYFZSA-N 0 0 370.418 5.209 10 0 FKAERN CCCc1nn(Cn2nc(CCC)c(CC)c2CCC)c(CCC)c1CC ZINC000037630265 210245968 /nfs/dbraw/zinc/24/59/68/210245968.db2.gz FDFCEZJHEWOKPK-UHFFFAOYSA-N 0 0 372.601 5.520 10 0 FKAERN Brc1ccc(CNc2ccc(-c3nccs3)cc2)s1 ZINC000037765211 220841566 /nfs/dbraw/zinc/84/15/66/220841566.db2.gz SHXHSFMFBCAJLC-UHFFFAOYSA-N 0 0 351.294 5.246 10 0 FKAERN Brc1csc(CNc2ccc(-c3nccs3)cc2)c1 ZINC000037765920 220841114 /nfs/dbraw/zinc/84/11/14/220841114.db2.gz AVWQMRYUQAAGSQ-UHFFFAOYSA-N 0 0 351.294 5.246 10 0 FKAERN COc1ccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cc1 ZINC000037858314 211690696 /nfs/dbraw/zinc/69/06/96/211690696.db2.gz NCCBXUNIYZFBJX-UHFFFAOYSA-N 0 0 370.456 5.369 10 0 FKAERN O=C(Nc1ccc2sccc2c1)c1cc(Br)ccc1Cl ZINC000037979538 211332070 /nfs/dbraw/zinc/33/20/70/211332070.db2.gz PCEKVHYFHRMNMC-UHFFFAOYSA-N 0 0 366.667 5.570 10 0 FKAERN CCOc1ccc(N[C@@H](C)c2ccc(Br)s2)cc1OCC ZINC000038001699 211338987 /nfs/dbraw/zinc/33/89/87/211338987.db2.gz AKPVMZUJRCENTG-NSHDSACASA-N 0 0 370.312 5.481 10 0 FKAERN C[C@H](Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(Br)s1 ZINC000038001958 211344122 /nfs/dbraw/zinc/34/41/22/211344122.db2.gz RODARUBYKLMWPN-JTQLQIEISA-N 0 0 365.296 5.032 10 0 FKAERN C[C@@H](Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(Br)s1 ZINC000038001959 211343466 /nfs/dbraw/zinc/34/34/66/211343466.db2.gz RODARUBYKLMWPN-SNVBAGLBSA-N 0 0 365.296 5.032 10 0 FKAERN CC(C)n1ncc2cc(N[C@@H](C)c3ccc(Br)s3)cnc21 ZINC000038002063 220845342 /nfs/dbraw/zinc/84/53/42/220845342.db2.gz SALNUXDIIIPONM-JTQLQIEISA-N 0 0 365.300 5.009 10 0 FKAERN C[C@@H](Nc1ccc2c(c1)OC(C)(C)O2)c1ccc(Br)s1 ZINC000038002486 220845137 /nfs/dbraw/zinc/84/51/37/220845137.db2.gz NKXNWIOPFBEFOK-SECBINFHSA-N 0 0 354.269 5.191 10 0 FKAERN Cc1cc(N2CCCC2)ccc1N[C@H](C)c1ccc(Br)s1 ZINC000038002552 211343992 /nfs/dbraw/zinc/34/39/92/211343992.db2.gz YPBMYQSDJUMWSE-CYBMUJFWSA-N 0 0 365.340 5.592 10 0 FKAERN C[C@@H](Nc1ccccc1N1CCCC1)c1ccc(Br)s1 ZINC000038002572 220845446 /nfs/dbraw/zinc/84/54/46/220845446.db2.gz BHSYNWUXMIYFAF-GFCCVEGCSA-N 0 0 351.313 5.284 10 0 FKAERN C[C@@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccc(Br)s1 ZINC000038002622 211344309 /nfs/dbraw/zinc/34/43/09/211344309.db2.gz VUMMLNPVGGPMDO-SECBINFHSA-N 0 0 363.280 5.702 10 0 FKAERN C[C@@H](Nc1ccc(N2CCCCC2)nc1)c1ccc(Br)s1 ZINC000038002666 207796801 /nfs/dbraw/zinc/79/68/01/207796801.db2.gz LASLPQJKKIPQAK-GFCCVEGCSA-N 0 0 366.328 5.069 10 0 FKAERN CCOC(=O)Nc1ccc(N[C@@H](C)c2ccc(Br)s2)cc1 ZINC000038002755 211342534 /nfs/dbraw/zinc/34/25/34/211342534.db2.gz VGFPRJUCWLBDSJ-JTQLQIEISA-N 0 0 369.284 5.252 10 0 FKAERN CCOC(=O)Nc1ccc(N[C@H](C)c2ccc(Br)s2)cc1 ZINC000038002756 204771091 /nfs/dbraw/zinc/77/10/91/204771091.db2.gz VGFPRJUCWLBDSJ-SNVBAGLBSA-N 0 0 369.284 5.252 10 0 FKAERN C[C@H](Nc1cnc(-c2ccccc2)nc1)c1ccc(Br)s1 ZINC000038002903 211342992 /nfs/dbraw/zinc/34/29/92/211342992.db2.gz YLMCHEGCJXWKCV-NSHDSACASA-N 0 0 360.280 5.141 10 0 FKAERN C[C@@H](Nc1cnc(-c2ccccc2)nc1)c1ccc(Br)s1 ZINC000038002904 207797328 /nfs/dbraw/zinc/79/73/28/207797328.db2.gz YLMCHEGCJXWKCV-LLVKDONJSA-N 0 0 360.280 5.141 10 0 FKAERN CCC(=O)Nc1cccc(N[C@@H](C)c2ccc(Br)s2)c1C ZINC000038003033 211343114 /nfs/dbraw/zinc/34/31/14/211343114.db2.gz PLOJSAFURQPOKC-NSHDSACASA-N 0 0 367.312 5.341 10 0 FKAERN Cc1cc(-c2nnco2)ccc1N[C@@H](C)c1ccc(Br)s1 ZINC000038003083 204770723 /nfs/dbraw/zinc/77/07/23/204770723.db2.gz DYMGGNIFIWFKKO-JTQLQIEISA-N 0 0 364.268 5.042 10 0 FKAERN C[C@@H](Nc1ccc(OC(F)F)c(F)c1)c1ccc(Br)s1 ZINC000038003438 204773321 /nfs/dbraw/zinc/77/33/21/204773321.db2.gz BZEZYXWENNJVAM-SSDOTTSWSA-N 0 0 366.202 5.424 10 0 FKAERN C[C@H](Nc1cccc(-c2nccs2)c1)c1ccc(Br)s1 ZINC000038003443 211342670 /nfs/dbraw/zinc/34/26/70/211342670.db2.gz GZAGJWVINBUTED-JTQLQIEISA-N 0 0 365.321 5.807 10 0 FKAERN C[C@@H](Nc1cccc(-c2nccs2)c1)c1ccc(Br)s1 ZINC000038003444 204772539 /nfs/dbraw/zinc/77/25/39/204772539.db2.gz GZAGJWVINBUTED-SNVBAGLBSA-N 0 0 365.321 5.807 10 0 FKAERN C[C@@H](Nc1ccc(N2CCCC2)c(F)c1)c1ccc(Br)s1 ZINC000038003462 211342114 /nfs/dbraw/zinc/34/21/14/211342114.db2.gz SPYHUQXVPMETKJ-LLVKDONJSA-N 0 0 369.303 5.423 10 0 FKAERN CCc1nc2cc(N[C@@H](C)c3ccc(Br)s3)ccc2o1 ZINC000038003491 204772830 /nfs/dbraw/zinc/77/28/30/204772830.db2.gz GBMBZSAQDVJMJL-VIFPVBQESA-N 0 0 351.269 5.387 10 0 FKAERN C[C@H](NCc1cc(F)ccc1Br)c1ccc(F)c(Cl)c1 ZINC000038039051 211365788 /nfs/dbraw/zinc/36/57/88/211365788.db2.gz YTXIPJDOGRCCQN-VIFPVBQESA-N 0 0 360.629 5.232 10 0 FKAERN COc1ccc(C(=O)c2cc(Cl)sc2Cl)cc1Br ZINC000038073999 205038282 /nfs/dbraw/zinc/03/82/82/205038282.db2.gz IQKFTYPACJAGCD-UHFFFAOYSA-N 0 0 366.063 5.057 10 0 FKAERN CC/C=C/C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCO ZINC000038146684 211698708 /nfs/dbraw/zinc/69/87/08/211698708.db2.gz GEEHOLRSGZPBSM-VHIRFWQOSA-N 0 0 371.565 5.573 10 0 FKAERN CC/C=C/C/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCO ZINC000038146686 205038765 /nfs/dbraw/zinc/03/87/65/205038765.db2.gz GEEHOLRSGZPBSM-UAYLQDFESA-N 0 0 371.565 5.573 10 0 FKAERN Oc1ccccc1-c1nnc(Nc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000038174776 205040214 /nfs/dbraw/zinc/04/02/14/205040214.db2.gz HKBDKEDHEYTSLB-UHFFFAOYSA-N 0 0 362.820 5.037 10 0 FKAERN Clc1ccc(-c2cc(-c3cccc(Br)c3)on2)c(Cl)c1 ZINC000038231100 207000980 /nfs/dbraw/zinc/00/09/80/207000980.db2.gz OKIXZOOGDVUCKQ-UHFFFAOYSA-N 0 0 369.045 6.078 10 0 FKAERN Cc1c(Cl)c(=O)oc2cc(O[P@](C)(=O)OC3CCCCC3)ccc12 ZINC000038267467 571085007 /nfs/dbraw/zinc/08/50/07/571085007.db2.gz QCXKUZPMZZWKFW-XMMPIXPASA-N 0 0 370.769 5.306 10 0 FKAERN Cc1c(Cl)c(=O)oc2cc(O[P@@](C)(=O)OC3CCCCC3)ccc12 ZINC000038267468 571084981 /nfs/dbraw/zinc/08/49/81/571084981.db2.gz QCXKUZPMZZWKFW-DEOSSOPVSA-N 0 0 370.769 5.306 10 0 FKAERN Cc1ccc2cc(-c3cc(-c4ccc(Cl)cc4)no3)c(Cl)nc2c1 ZINC000038288457 204296424 /nfs/dbraw/zinc/29/64/24/204296424.db2.gz VASYAQUBACMBTC-UHFFFAOYSA-N 0 0 355.224 6.172 10 0 FKAERN C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1CCC2=O ZINC000038288602 208202192 /nfs/dbraw/zinc/20/21/92/208202192.db2.gz MSINETGATWEUAB-AHCIIZGASA-N 0 0 360.497 5.691 10 0 in-vitro FKAERN Cc1cc(Br)c(Br)cc1OCc1ccccc1 ZINC000038337581 220851936 /nfs/dbraw/zinc/85/19/36/220851936.db2.gz NZPGUHJWFBNNIF-UHFFFAOYSA-N 0 0 356.057 5.099 10 0 FKAERN O=Cc1ccc(OCc2cc(-c3ccccc3)c(C(F)(F)F)s2)cc1 ZINC000038345311 207256426 /nfs/dbraw/zinc/25/64/26/207256426.db2.gz JJYBUXRRYYOFQF-UHFFFAOYSA-N 0 0 362.372 5.825 10 0 FKAERN COc1ccc(CCn2c3ccccc3nc2C2CCCCC2)cc1OC ZINC000038345364 208200594 /nfs/dbraw/zinc/20/05/94/208200594.db2.gz QRPUACRCDHBXOJ-UHFFFAOYSA-N 0 0 364.489 5.344 10 0 FKAERN Cc1cccc2c1[nH]c(C1=NO[C@@H](c3ccccc3)C1)c2-c1ccccc1 ZINC000038357676 207455542 /nfs/dbraw/zinc/45/55/42/207455542.db2.gz STRWLIPXJJIHMK-OAQYLSRUSA-N 0 0 352.437 6.009 10 0 FKAERN CSc1ccc(-c2nc(Cl)nc(SC)c2-c2ccccc2)cc1 ZINC000038494779 207911292 /nfs/dbraw/zinc/91/12/92/207911292.db2.gz HDAJQLKIFTVBMP-UHFFFAOYSA-N 0 0 358.919 5.908 10 0 FKAERN CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(Br)cc21 ZINC000038526351 136118676 /nfs/dbraw/zinc/11/86/76/136118676.db2.gz XRXWEWROZPBVFS-UHFFFAOYSA-N 0 0 352.272 5.386 10 0 FKAERN COc1c2cc(Br)ccc2cc(C)c1C(=O)Oc1ccccc1 ZINC000038530172 208204259 /nfs/dbraw/zinc/20/42/59/208204259.db2.gz UKFLONXKYQOMCM-UHFFFAOYSA-N 0 0 371.230 5.139 10 0 FKAERN COc1cccc(-c2csc(NC(=O)Nc3cccc(Cl)c3)n2)c1 ZINC000038548818 208202996 /nfs/dbraw/zinc/20/29/96/208202996.db2.gz BMYZTRHLCDGWIH-UHFFFAOYSA-N 0 0 359.838 5.116 10 0 FKAERN COc1ccc2cc([C@@H]3N(C)c4ccccc4N3Cc3ccccc3)oc2c1 ZINC000038613577 205041336 /nfs/dbraw/zinc/04/13/36/205041336.db2.gz CPAJBNABYORCJO-XMMPIXPASA-N 0 0 370.452 5.597 10 0 FKAERN C=CC(=O)OCCCCCCCCCCCCCCCCCC(C)C ZINC000038656331 220853412 /nfs/dbraw/zinc/85/34/12/220853412.db2.gz JWGFUZXFJMCXON-UHFFFAOYSA-N 0 0 352.603 7.613 10 0 FKAERN CC(C)CCCCCCCCCCCCCCC(=O)N1CCOCC1 ZINC000038656337 208204414 /nfs/dbraw/zinc/20/44/14/208204414.db2.gz FJQLOXYZLQGRFO-UHFFFAOYSA-N 0 0 353.591 5.963 10 0 FKAERN CCCCc1cnc2c(OCCO)cccc2c1Nc1ccccc1C ZINC000038823219 208028956 /nfs/dbraw/zinc/02/89/56/208028956.db2.gz MTUDPDCLKAOLSZ-UHFFFAOYSA-N 0 0 350.462 5.001 10 0 FKAERN COc1ccc(-c2nc(Cl)nc(SC)c2-c2ccc(OC)cc2)cc1 ZINC000038825727 208092804 /nfs/dbraw/zinc/09/28/04/208092804.db2.gz YZDUJSZLFXJLBR-UHFFFAOYSA-N 0 0 372.877 5.203 10 0 FKAERN Fc1ccc(-c2nc(C(F)(F)F)nc(Cl)c2-c2ccccc2)cc1 ZINC000038894784 208176260 /nfs/dbraw/zinc/17/62/60/208176260.db2.gz NKRAVUZIIHBKDS-UHFFFAOYSA-N 0 0 352.718 5.622 10 0 FKAERN CC(C)(C)c1cc(-c2cc(=O)c3ccccc3o2)cc(C(C)(C)C)c1O ZINC000038986522 211677600 /nfs/dbraw/zinc/67/76/00/211677600.db2.gz CWGSVVDMGJJKMY-UHFFFAOYSA-N 0 0 350.458 5.761 10 0 FKAERN O=C(c1cc(Cc2ccc(F)cc2)oc1Nc1ccccc1)c1ccccc1 ZINC000039127089 205091376 /nfs/dbraw/zinc/09/13/76/205091376.db2.gz QIFKSTWVQUMGNI-UHFFFAOYSA-N 0 0 371.411 5.984 10 0 FKAERN Cc1c2nc(NCc3ccc(Cl)cc3Cl)sc2c(C)c(O)c1C ZINC000039127728 208208617 /nfs/dbraw/zinc/20/86/17/208208617.db2.gz HBAVQNBMNYSJBX-UHFFFAOYSA-N 0 0 367.301 5.846 10 0 FKAERN CCCCn1ccc2c1nc(C(c1ccccc1)c1ccccc1)cc2C ZINC000039220534 208207995 /nfs/dbraw/zinc/20/79/95/208207995.db2.gz JXMZKSAENUJYOE-UHFFFAOYSA-N 0 0 354.497 6.325 10 0 FKAERN Nc1cc(Cl)c(Cl)cc1Oc1cc(Cl)c(Cl)cc1Cl ZINC000039247769 220861106 /nfs/dbraw/zinc/86/11/06/220861106.db2.gz UQWDWSIXRWMMDD-UHFFFAOYSA-N 0 0 357.451 6.328 10 0 FKAERN CCCn1c(-c2c(Cl)cc(O)cc2Cl)cc2c1cc(O)cc2Cl ZINC000039383340 205045037 /nfs/dbraw/zinc/04/50/37/205045037.db2.gz JDHSOKUKBCBUKR-UHFFFAOYSA-N 0 0 370.663 6.090 10 0 FKAERN Cc1ccc(NC(=O)c2sc3ccc4ccccc4c3c2Cl)cc1 ZINC000039643562 205047366 /nfs/dbraw/zinc/04/73/66/205047366.db2.gz NHGGWKBNDJFAHE-UHFFFAOYSA-N 0 0 351.858 6.269 10 0 FKAERN O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1Nc1ccccc1 ZINC000039744619 205047813 /nfs/dbraw/zinc/04/78/13/205047813.db2.gz VSYXYXNUZSODCC-UHFFFAOYSA-N 0 0 372.453 5.201 10 0 FKAERN O=c1oc2ccccc2c2oc(NCc3ccccc3)c(-c3cccnc3)c21 ZINC000039920864 571066205 /nfs/dbraw/zinc/06/62/05/571066205.db2.gz ZLUVDBNPZIKTGL-UHFFFAOYSA-N 0 0 368.392 5.213 10 0 FKAERN CCOC(=O)c1c2c(sc1Nc1ccnc3c(F)cccc13)CCCC2 ZINC000039963697 205047139 /nfs/dbraw/zinc/04/71/39/205047139.db2.gz HFERXZUUGRYWED-UHFFFAOYSA-N 0 0 370.449 5.235 10 0 FKAERN FC(F)(F)c1ccccc1Nc1ccnc2c1cccc2C(F)(F)F ZINC000039963851 205047056 /nfs/dbraw/zinc/04/70/56/205047056.db2.gz GZKNEVSWRNOVJQ-UHFFFAOYSA-N 0 0 356.269 6.016 10 0 FKAERN FC(F)(F)c1cccc2c(Nc3ccccc3Br)ccnc21 ZINC000039963859 208215036 /nfs/dbraw/zinc/21/50/36/208215036.db2.gz RUTATMWPUQLVOU-UHFFFAOYSA-N 0 0 367.168 5.760 10 0 FKAERN CC(C)OC(=O)c1ccc(Nc2ccnc3c2cccc3C(F)(F)F)cc1 ZINC000039963872 208214323 /nfs/dbraw/zinc/21/43/23/208214323.db2.gz PKFDYCVFHGTUTM-UHFFFAOYSA-N 0 0 374.362 5.562 10 0 FKAERN CCc1ccc2oc(C(=O)Nc3ccc(Br)cc3)c(C)c2c1 ZINC000040037309 208219869 /nfs/dbraw/zinc/21/98/69/208219869.db2.gz OCNGKYZQOPXGCV-UHFFFAOYSA-N 0 0 358.235 5.318 10 0 FKAERN CCCCC1CCC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000040038582 208218660 /nfs/dbraw/zinc/21/86/60/208218660.db2.gz GPIXBPRVFUGMLM-UHFFFAOYSA-N 0 0 361.835 6.294 10 0 FKAERN O=C(Oc1ccc(Cl)c2cccnc12)c1ccc(-c2ccccc2)cc1 ZINC000040165887 208241093 /nfs/dbraw/zinc/24/10/93/208241093.db2.gz IBYAGIAGCSAAIF-UHFFFAOYSA-N 0 0 359.812 5.774 10 0 FKAERN Clc1ccc(Cl)c(CSc2ccc3ccccc3n2)c1Cl ZINC000040165980 205061761 /nfs/dbraw/zinc/06/17/61/205061761.db2.gz JBPZBYDHBTUFJR-UHFFFAOYSA-N 0 0 354.689 6.487 10 0 FKAERN O=C(CSc1ccc2ccccc2n1)N(c1ccccc1)c1ccccc1 ZINC000040165990 208242448 /nfs/dbraw/zinc/24/24/48/208242448.db2.gz HXVWCUPYRWSSED-UHFFFAOYSA-N 0 0 370.477 5.692 10 0 FKAERN O=C(CSc1ccc2ccccc2n1)Nc1ccc(Cl)c(Cl)c1 ZINC000040166014 205061195 /nfs/dbraw/zinc/06/11/95/205061195.db2.gz SMTPKOKEUJDZNP-UHFFFAOYSA-N 0 0 363.269 5.272 10 0 FKAERN Cc1cccc2c(C)cc(SCc3ccc(Br)cc3)nc12 ZINC000040167081 208241243 /nfs/dbraw/zinc/24/12/43/208241243.db2.gz HMJJHBPQKKLTOD-UHFFFAOYSA-N 0 0 358.304 5.906 10 0 FKAERN Cc1cc(C)c2nc(SCc3c(Cl)cccc3Cl)cc(C)c2c1 ZINC000040167159 208241929 /nfs/dbraw/zinc/24/19/29/208241929.db2.gz IPNPTBFMKOTSOA-UHFFFAOYSA-N 0 0 362.325 6.759 10 0 FKAERN Cc1cc(C)c2nc(SCc3ccc(Cl)c(Cl)c3)cc(C)c2c1 ZINC000040167172 205062326 /nfs/dbraw/zinc/06/23/26/205062326.db2.gz UXKBMKWCZFCJMS-UHFFFAOYSA-N 0 0 362.325 6.759 10 0 FKAERN Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3Cl)cc(C)c2c1 ZINC000040167184 220893360 /nfs/dbraw/zinc/89/33/60/220893360.db2.gz AYTIGLBXEPJAFH-UHFFFAOYSA-N 0 0 370.905 5.544 10 0 FKAERN Cc1cc(C)c2nc(SCC(=O)Nc3cccc(Cl)c3)cc(C)c2c1 ZINC000040167190 205061930 /nfs/dbraw/zinc/06/19/30/205061930.db2.gz GFLCYOIZIRJKQS-UHFFFAOYSA-N 0 0 370.905 5.544 10 0 FKAERN Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3C)cc(C)c2c1 ZINC000040167236 205062000 /nfs/dbraw/zinc/06/20/00/205062000.db2.gz AQMQOCWUKSSEHD-UHFFFAOYSA-N 0 0 350.487 5.199 10 0 FKAERN COc1cccc2c(C)cc(SCc3c(Cl)cccc3Cl)nc12 ZINC000040167353 205061570 /nfs/dbraw/zinc/06/15/70/205061570.db2.gz NLKNBOKCSKBIDG-UHFFFAOYSA-N 0 0 364.297 6.151 10 0 FKAERN COc1cccc2c(C)cc(SCc3ccc(Cl)c(Cl)c3)nc12 ZINC000040167373 208242146 /nfs/dbraw/zinc/24/21/46/208242146.db2.gz IRKLTZMHOFLOCW-UHFFFAOYSA-N 0 0 364.297 6.151 10 0 FKAERN COc1cccc2c(C)cc(SCc3ccc(Cl)cc3Cl)nc12 ZINC000040167505 205061795 /nfs/dbraw/zinc/06/17/95/205061795.db2.gz HEJBJFLMCYELNA-UHFFFAOYSA-N 0 0 364.297 6.151 10 0 FKAERN COc1cccc2c(C)cc(SCc3ccc(Br)cc3)nc12 ZINC000040167509 205061496 /nfs/dbraw/zinc/06/14/96/205061496.db2.gz JGIVACZBSMAODZ-UHFFFAOYSA-N 0 0 374.303 5.607 10 0 FKAERN c1ccc(C(Sc2nnc3ccc4ccccc4n32)c2ccccc2)cc1 ZINC000040169754 205061740 /nfs/dbraw/zinc/06/17/40/205061740.db2.gz GYGWHDAHSXRYGB-UHFFFAOYSA-N 0 0 367.477 5.764 10 0 FKAERN O=C(CSc1nc2ccccc2[nH]1)NC1CCCCCCCCCCC1 ZINC000040176182 208242622 /nfs/dbraw/zinc/24/26/22/208242622.db2.gz ZYCNHPZDHRDIHA-UHFFFAOYSA-N 0 0 373.566 5.445 10 0 FKAERN Cc1cc(C)c2nc(C)cc(NC(=O)COc3ccc4ccccc4c3)c2c1 ZINC000040177044 205062212 /nfs/dbraw/zinc/06/22/12/205062212.db2.gz XRPBQNIIQMSYHX-UHFFFAOYSA-N 0 0 370.452 5.331 10 0 FKAERN Cc1cc(C)c2nc(C)cc(NC(=O)c3ccc(Cl)cc3Cl)c2c1 ZINC000040177052 208241252 /nfs/dbraw/zinc/24/12/52/208241252.db2.gz BLVHRHKIUBHNDT-UHFFFAOYSA-N 0 0 359.256 5.141 10 0 FKAERN Cc1cc(C)c2nc(C)cc(NC(=O)/C=C/c3nc4ccccc4s3)c2c1 ZINC000040177067 208242205 /nfs/dbraw/zinc/24/22/05/208242205.db2.gz HZTXMHBGKBVAOQ-CMDGGOBGSA-N 0 0 373.481 5.422 10 0 FKAERN Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(Br)cc1 ZINC000040178602 208241788 /nfs/dbraw/zinc/24/17/88/208241788.db2.gz WFBWDPBRFQBOMD-UHFFFAOYSA-N 0 0 356.219 5.270 10 0 FKAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000040178698 205061676 /nfs/dbraw/zinc/06/16/76/205061676.db2.gz SOUHVHWQNHSPGB-UHFFFAOYSA-N 0 0 360.240 6.123 10 0 FKAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1ccccc1C(F)(F)F ZINC000040178778 205061582 /nfs/dbraw/zinc/06/15/82/205061582.db2.gz FBZSNLSXCOTUCI-UHFFFAOYSA-N 0 0 359.347 5.835 10 0 FKAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000040178807 205061690 /nfs/dbraw/zinc/06/16/90/205061690.db2.gz GCYSYFMAKCPMIO-UHFFFAOYSA-N 0 0 364.203 5.953 10 0 FKAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000040178808 205061622 /nfs/dbraw/zinc/06/16/22/205061622.db2.gz NQCONSPVCATHDN-UHFFFAOYSA-N 0 0 364.203 5.953 10 0 FKAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000040178809 208242247 /nfs/dbraw/zinc/24/22/47/208242247.db2.gz WOJYREFUYQVENU-UHFFFAOYSA-N 0 0 364.203 5.953 10 0 FKAERN CCCCc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)oc2C)cc1 ZINC000040178879 220895499 /nfs/dbraw/zinc/89/54/99/220895499.db2.gz LXKNTJCIJRKXJS-UHFFFAOYSA-N 0 0 351.421 5.989 10 0 FKAERN Cc1cccc(Oc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)c1 ZINC000040178910 205061773 /nfs/dbraw/zinc/06/17/73/205061773.db2.gz FIGYTXNIJNJIRY-UHFFFAOYSA-N 0 0 372.251 6.346 10 0 FKAERN Cc1cccc(Oc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)c1 ZINC000040178911 208241387 /nfs/dbraw/zinc/24/13/87/208241387.db2.gz YFOQBBNOPMFPTD-UHFFFAOYSA-N 0 0 372.251 6.346 10 0 FKAERN COc1ccc(OC)c(NC(=O)c2ccc(Oc3cccc(C)c3)cc2)c1 ZINC000040178958 208242544 /nfs/dbraw/zinc/24/25/44/208242544.db2.gz RXTZOIGHBNWEGK-UHFFFAOYSA-N 0 0 363.413 5.057 10 0 FKAERN COc1ccc(NC(=O)c2ccc(Oc3cccc(C)c3)cc2)c(OC)c1 ZINC000040178959 205061500 /nfs/dbraw/zinc/06/15/00/205061500.db2.gz ZGCZZKNHPMIBSW-UHFFFAOYSA-N 0 0 363.413 5.057 10 0 FKAERN Cc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 ZINC000040179010 208242090 /nfs/dbraw/zinc/24/20/90/208242090.db2.gz HUTGIWBVDBSTCT-UHFFFAOYSA-N 0 0 372.251 6.346 10 0 FKAERN COc1ccc(OC)c(NC(=O)c2ccc(Oc3ccc(C)cc3)cc2)c1 ZINC000040179058 208241742 /nfs/dbraw/zinc/24/17/42/208241742.db2.gz GDMLMDQFTPLCPE-UHFFFAOYSA-N 0 0 363.413 5.057 10 0 FKAERN COc1ccc(NC(=O)c2ccc(Oc3ccc(C)cc3)cc2)c(OC)c1 ZINC000040179059 208241935 /nfs/dbraw/zinc/24/19/35/208241935.db2.gz RHDFKPUWXBBQOW-UHFFFAOYSA-N 0 0 363.413 5.057 10 0 FKAERN Cc1ccc(Oc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)cc1 ZINC000040179072 205062266 /nfs/dbraw/zinc/06/22/66/205062266.db2.gz TTZIURRBADITFS-UHFFFAOYSA-N 0 0 351.833 6.001 10 0 FKAERN Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)cc1 ZINC000040179078 205063105 /nfs/dbraw/zinc/06/31/05/205063105.db2.gz KJKURMACDHQYPM-UHFFFAOYSA-N 0 0 371.358 6.058 10 0 FKAERN CCCCc1ccc(NC(=O)c2ccc(Oc3ccc(C)cc3)cc2)cc1 ZINC000040179079 208242341 /nfs/dbraw/zinc/24/23/41/208242341.db2.gz YSWKTLHEQJUSON-UHFFFAOYSA-N 0 0 359.469 6.382 10 0 FKAERN COc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000040179112 205063612 /nfs/dbraw/zinc/06/36/12/205063612.db2.gz VBCCWLGKECDHHJ-UHFFFAOYSA-N 0 0 353.805 5.393 10 0 FKAERN COc1ccc(Oc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000040179113 220895663 /nfs/dbraw/zinc/89/56/63/220895663.db2.gz FODBYRKPOPKTLA-UHFFFAOYSA-N 0 0 353.805 5.393 10 0 FKAERN COc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)c(C)c3)cc2)cc1 ZINC000040179123 205063321 /nfs/dbraw/zinc/06/33/21/205063321.db2.gz BFGUICIBCJWFTC-UHFFFAOYSA-N 0 0 367.832 5.702 10 0 FKAERN CCc1cccc(C)c1NC(=O)c1ccc(Oc2ccc(OC)cc2)cc1 ZINC000040179171 208242572 /nfs/dbraw/zinc/24/25/72/208242572.db2.gz AECKVANMWTWMJU-UHFFFAOYSA-N 0 0 361.441 5.611 10 0 FKAERN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(Cl)c(C)c1 ZINC000040179345 208241355 /nfs/dbraw/zinc/24/13/55/208241355.db2.gz UZBLSXLQVLKHOH-UHFFFAOYSA-N 0 0 360.240 6.123 10 0 FKAERN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000040179348 208242560 /nfs/dbraw/zinc/24/25/60/208242560.db2.gz BAMKQIDIWGZOSE-UHFFFAOYSA-N 0 0 353.849 6.284 10 0 FKAERN COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C)c1 ZINC000040179370 205063283 /nfs/dbraw/zinc/06/32/83/205063283.db2.gz UNSVGLGLAQPZGN-UHFFFAOYSA-N 0 0 371.820 5.178 10 0 FKAERN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NCc1ccccc1Cl ZINC000040179380 208241180 /nfs/dbraw/zinc/24/11/80/208241180.db2.gz MRIKOEHAVVCNDM-UHFFFAOYSA-N 0 0 360.240 5.492 10 0 FKAERN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccc(Cl)c1C ZINC000040179384 208241081 /nfs/dbraw/zinc/24/10/81/208241081.db2.gz PIJBJRHKHQEXQU-UHFFFAOYSA-N 0 0 360.240 6.123 10 0 FKAERN CCCCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C)cc1 ZINC000040179395 205063430 /nfs/dbraw/zinc/06/34/30/205063430.db2.gz ITDSPHUYYXEJTR-UHFFFAOYSA-N 0 0 367.876 6.503 10 0 FKAERN Cc1oc(-c2ccc(Br)cc2)cc1C(=O)Nc1ccccc1F ZINC000040179436 205062835 /nfs/dbraw/zinc/06/28/35/205062835.db2.gz WLRSZQHDSIJBID-UHFFFAOYSA-N 0 0 374.209 5.409 10 0 FKAERN Cc1oc(-c2ccc(Br)cc2)cc1C(=O)Nc1cccc(F)c1 ZINC000040179437 205063434 /nfs/dbraw/zinc/06/34/34/205063434.db2.gz FWSFUHYISXXMRV-UHFFFAOYSA-N 0 0 374.209 5.409 10 0 FKAERN Cc1oc(-c2ccc(Br)cc2)cc1C(=O)NC1CCCCC1 ZINC000040179461 208242578 /nfs/dbraw/zinc/24/25/78/208242578.db2.gz KYVLICMNYBSHGA-UHFFFAOYSA-N 0 0 362.267 5.080 10 0 FKAERN Cc1oc(-c2ccc(Br)cc2)cc1C(=O)N(C)c1ccccc1 ZINC000040179475 208241863 /nfs/dbraw/zinc/24/18/63/208241863.db2.gz GMVFCOJGCCOHSF-UHFFFAOYSA-N 0 0 370.246 5.294 10 0 FKAERN Cc1c2ccccc2oc1C(=O)Nc1ncc(Cc2ccc(C)cc2)s1 ZINC000040179505 208241810 /nfs/dbraw/zinc/24/18/10/208241810.db2.gz UARBKIXOADQYHH-UHFFFAOYSA-N 0 0 362.454 5.349 10 0 FKAERN O=C(Nc1ccc(Cl)c(Cl)c1)C1=Cc2cc(Cl)ccc2OC1 ZINC000040180062 205062662 /nfs/dbraw/zinc/06/26/62/205062662.db2.gz NELCHCWUOXAJBU-UHFFFAOYSA-N 0 0 354.620 5.061 10 0 FKAERN CC(C)CCn1c2ccccc2nc1C(c1ccccc1)c1ccccc1 ZINC000040210402 208243903 /nfs/dbraw/zinc/24/39/03/208243903.db2.gz ABIMSHYBFWFJLU-UHFFFAOYSA-N 0 0 354.497 6.263 10 0 FKAERN CCCCCCn1c2ccccc2nc1C(c1ccccc1)c1ccccc1 ZINC000040210404 208243896 /nfs/dbraw/zinc/24/38/96/208243896.db2.gz SMZNHKPRHUOVAO-UHFFFAOYSA-N 0 0 368.524 6.797 10 0 FKAERN c1ccc(Cn2c3ccccc3nc2C(c2ccccc2)c2ccccc2)cc1 ZINC000040210405 208243228 /nfs/dbraw/zinc/24/32/28/208243228.db2.gz ZZNADBFIHCZXPQ-UHFFFAOYSA-N 0 0 374.487 6.265 10 0 FKAERN CCOCCn1c2ccccc2nc1C(c1ccccc1)c1ccccc1 ZINC000040210518 208243235 /nfs/dbraw/zinc/24/32/35/208243235.db2.gz XEVUGKBMMXXCSG-UHFFFAOYSA-N 0 0 356.469 5.253 10 0 FKAERN CC(C)CCn1c2ccccc2nc1Cc1ccc(-c2ccccc2)cc1 ZINC000040210543 205063224 /nfs/dbraw/zinc/06/32/24/205063224.db2.gz RMHBABNJJYPKPE-UHFFFAOYSA-N 0 0 354.497 6.340 10 0 FKAERN c1ccc(Cn2c3ccccc3nc2Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000040210546 205062717 /nfs/dbraw/zinc/06/27/17/205062717.db2.gz DFGFLNIVMHRQJE-UHFFFAOYSA-N 0 0 374.487 6.342 10 0 FKAERN CCOCCn1c(Cc2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000040210660 208243871 /nfs/dbraw/zinc/24/38/71/208243871.db2.gz IGEXLCRAOQVSEQ-UHFFFAOYSA-N 0 0 356.469 5.331 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2Cc2c(C)cc(C)cc2C)c(C)c1 ZINC000040210695 205063145 /nfs/dbraw/zinc/06/31/45/205063145.db2.gz IMYNNKONGIXXCO-UHFFFAOYSA-N 0 0 354.497 6.294 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000040210709 205063546 /nfs/dbraw/zinc/06/35/46/205063546.db2.gz BLFVBDPZILGQHR-UHFFFAOYSA-N 0 0 368.524 6.666 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)c(C)c1 ZINC000040210710 205063061 /nfs/dbraw/zinc/06/30/61/205063061.db2.gz UQELVFBWCRETKD-UHFFFAOYSA-N 0 0 354.497 6.492 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2Cc2ccc3ccccc3c2)c(C)c1 ZINC000040210713 205063280 /nfs/dbraw/zinc/06/32/80/205063280.db2.gz AMPXTBISXGELSS-UHFFFAOYSA-N 0 0 362.476 6.522 10 0 FKAERN Cc1ccc(OCCn2c3ccccc3nc2-c2ccc(C)cc2C)c(C)c1 ZINC000040210722 205063617 /nfs/dbraw/zinc/06/36/17/205063617.db2.gz FZSBMHAVLXKCRP-UHFFFAOYSA-N 0 0 370.496 6.016 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2CCOc2c(C)cccc2C)c(C)c1 ZINC000040210724 205062506 /nfs/dbraw/zinc/06/25/06/205062506.db2.gz JXEGTBVNFVNBNG-UHFFFAOYSA-N 0 0 370.496 6.016 10 0 FKAERN Cc1cccc(OCCn2c3ccccc3nc2-c2ccc(C)cc2C)c1 ZINC000040210732 205062801 /nfs/dbraw/zinc/06/28/01/205062801.db2.gz FLKKMIBIHUQZTE-UHFFFAOYSA-N 0 0 356.469 5.708 10 0 FKAERN CCc1ccc(OCCn2c3ccccc3nc2-c2ccc(C)cc2C)cc1 ZINC000040210738 205062830 /nfs/dbraw/zinc/06/28/30/205062830.db2.gz XSXIIXDEUVNPPS-UHFFFAOYSA-N 0 0 370.496 5.962 10 0 FKAERN COc1cccc(OCCn2c3ccccc3nc2-c2ccc(C)cc2C)c1 ZINC000040210744 205063584 /nfs/dbraw/zinc/06/35/84/205063584.db2.gz OLEPRPMCMFOBFO-UHFFFAOYSA-N 0 0 372.468 5.408 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2CCCOc2ccccc2)c(C)c1 ZINC000040210746 208243126 /nfs/dbraw/zinc/24/31/26/208243126.db2.gz UJKREXCVBVNUEW-UHFFFAOYSA-N 0 0 356.469 5.789 10 0 FKAERN Cc1cccc(OCCCn2c3ccccc3nc2-c2ccc(C)cc2C)c1 ZINC000040210759 205063032 /nfs/dbraw/zinc/06/30/32/205063032.db2.gz YOHVSYLRHFNCMJ-UHFFFAOYSA-N 0 0 370.496 6.098 10 0 FKAERN Cc1ccc(OCCCn2c3ccccc3nc2-c2ccc(C)cc2C)cc1 ZINC000040210765 208244423 /nfs/dbraw/zinc/24/44/23/208244423.db2.gz PBDTZDBWJNLSFV-UHFFFAOYSA-N 0 0 370.496 6.098 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2CCOc2ccc(C)c(C)c2)c(C)c1 ZINC000040210775 208243143 /nfs/dbraw/zinc/24/31/43/208243143.db2.gz BYVHGBPDLBPYTA-UHFFFAOYSA-N 0 0 370.496 6.016 10 0 FKAERN Clc1ccc(-c2nc3ccccc3n2Cc2ccccc2)c(Cl)c1 ZINC000040210852 208244141 /nfs/dbraw/zinc/24/41/41/208244141.db2.gz IPXXKKYTLCKGQF-UHFFFAOYSA-N 0 0 353.252 6.058 10 0 FKAERN Fc1ccc(Cn2c3ccccc3nc2-c2ccc(Cl)cc2Cl)cc1 ZINC000040210869 205062675 /nfs/dbraw/zinc/06/26/75/205062675.db2.gz QPSXKIABJKUTPL-UHFFFAOYSA-N 0 0 371.242 6.198 10 0 FKAERN Cc1ccc(Cn2c3ccccc3nc2-c2ccc(Cl)cc2Cl)cc1 ZINC000040210878 220895223 /nfs/dbraw/zinc/89/52/23/220895223.db2.gz XTHHGIPRXDZQAU-UHFFFAOYSA-N 0 0 367.279 6.367 10 0 FKAERN Clc1ccc(-c2nc3ccccc3n2CCc2ccccc2)c(Cl)c1 ZINC000040210879 220895299 /nfs/dbraw/zinc/89/52/99/220895299.db2.gz QAXXXFZRZPZRSE-UHFFFAOYSA-N 0 0 367.279 6.253 10 0 FKAERN Clc1ccc(-c2nc3ccccc3n2CCC2CCCCC2)c(Cl)c1 ZINC000040210880 205063000 /nfs/dbraw/zinc/06/30/00/205063000.db2.gz YIOVRWKYIQXYBN-UHFFFAOYSA-N 0 0 373.327 6.981 10 0 FKAERN CCCCn1c(CCCCCNC(=O)C(CC)CC)nc2ccccc21 ZINC000040211560 205063298 /nfs/dbraw/zinc/06/32/98/205063298.db2.gz XOSVWNFIKAFMIH-UHFFFAOYSA-N 0 0 357.542 5.102 10 0 FKAERN CCCCCCn1c(CCCCCNC(=O)C(C)C)nc2ccccc21 ZINC000040211729 205063292 /nfs/dbraw/zinc/06/32/92/205063292.db2.gz NHSFAPDCHJBLBF-UHFFFAOYSA-N 0 0 357.542 5.102 10 0 FKAERN CC(C)c1ccccc1OCCCCn1c2ccccc2nc1C(C)(C)O ZINC000040225183 205063215 /nfs/dbraw/zinc/06/32/15/205063215.db2.gz JCIMEKLQAFNZQC-UHFFFAOYSA-N 0 0 366.505 5.246 10 0 FKAERN Cc1cccc(C)c1OCCCn1c(Cc2ccccc2)nc2ccccc21 ZINC000040225528 208244346 /nfs/dbraw/zinc/24/43/46/208244346.db2.gz PRKORDKJEKXVBC-UHFFFAOYSA-N 0 0 370.496 5.713 10 0 FKAERN Cc1cc(C)c(Cn2c3ccccc3nc2Cc2ccccc2Cl)c(C)c1 ZINC000040225661 220896583 /nfs/dbraw/zinc/89/65/83/220896583.db2.gz VQLSLWSAUQBVOE-UHFFFAOYSA-N 0 0 374.915 6.254 10 0 FKAERN Fc1ccccc1Cn1c2ccccc2nc1Cc1ccccc1Cl ZINC000040225667 205063560 /nfs/dbraw/zinc/06/35/60/205063560.db2.gz MZJUNBBWTZTHGB-UHFFFAOYSA-N 0 0 350.824 5.468 10 0 FKAERN CC(C)c1ccc(Cn2c3ccccc3nc2Cc2ccccc2Cl)cc1 ZINC000040225691 208243192 /nfs/dbraw/zinc/24/31/92/208243192.db2.gz UDMWJMKTZRMFAQ-UHFFFAOYSA-N 0 0 374.915 6.452 10 0 FKAERN Clc1ccccc1Cc1nc2ccccc2n1CCC1CCCCC1 ZINC000040225702 205062596 /nfs/dbraw/zinc/06/25/96/205062596.db2.gz GSYNDRWTHMPGCE-UHFFFAOYSA-N 0 0 352.909 6.251 10 0 FKAERN Clc1ccccc1Cc1nc2ccccc2n1CCCc1ccccc1 ZINC000040225704 205062967 /nfs/dbraw/zinc/06/29/67/205062967.db2.gz CNIMYTPTNXUWAB-UHFFFAOYSA-N 0 0 360.888 5.913 10 0 FKAERN COc1ccc(Cn2c(Cc3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000040225951 208244326 /nfs/dbraw/zinc/24/43/26/208244326.db2.gz QMKCQWCFZWJPMS-UHFFFAOYSA-N 0 0 362.860 5.337 10 0 FKAERN Cc1ccccc1Cc1nc2ccccc2n1Cc1c(C)c(C)cc(C)c1C ZINC000040226410 208243558 /nfs/dbraw/zinc/24/35/58/208243558.db2.gz LLFYBOFWQCSTDK-UHFFFAOYSA-N 0 0 368.524 6.218 10 0 FKAERN Cc1ccccc1Cc1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000040226416 208244220 /nfs/dbraw/zinc/24/42/20/208244220.db2.gz GVMYMTXIBDBHDI-UHFFFAOYSA-N 0 0 364.851 5.776 10 0 FKAERN Cc1ccccc1Cc1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000040226441 208243714 /nfs/dbraw/zinc/24/37/14/208243714.db2.gz KSXOGAYSVXTUIK-UHFFFAOYSA-N 0 0 368.524 6.281 10 0 FKAERN Cc1ccccc1Cc1nc2ccccc2n1Cc1ccc(C(C)C)cc1 ZINC000040226443 205063411 /nfs/dbraw/zinc/06/34/11/205063411.db2.gz DWJCIWVOGVVWCX-UHFFFAOYSA-N 0 0 354.497 6.107 10 0 FKAERN Cc1ccccc1Cc1nc2ccccc2n1Cc1cccc2ccccc21 ZINC000040226447 208243348 /nfs/dbraw/zinc/24/33/48/208243348.db2.gz AFLYOOJSRLQIPZ-UHFFFAOYSA-N 0 0 362.476 6.137 10 0 FKAERN CCc1nc2ccccc2n1CCCCOc1ccc(C(C)(C)C)cc1 ZINC000040231159 208242957 /nfs/dbraw/zinc/24/29/57/208242957.db2.gz NUPVWZPYZXKQSO-UHFFFAOYSA-N 0 0 350.506 5.755 10 0 FKAERN CC(C)c1nc2ccccc2n1CCCOc1ccc(C(C)(C)C)cc1 ZINC000040231318 205062988 /nfs/dbraw/zinc/06/29/88/205062988.db2.gz GMXDXZTZOQULDV-UHFFFAOYSA-N 0 0 350.506 5.926 10 0 FKAERN CC(C)c1nc2ccccc2n1CCCCOc1ccc(C(C)C)cc1 ZINC000040231360 208243644 /nfs/dbraw/zinc/24/36/44/208243644.db2.gz HYTLLDZZAJPWMF-UHFFFAOYSA-N 0 0 350.506 6.142 10 0 FKAERN CC(C)c1nc2ccccc2n1CCCCOc1ccc(C(C)(C)C)cc1 ZINC000040231362 208243687 /nfs/dbraw/zinc/24/36/87/208243687.db2.gz AVNKEQOZAONHPO-UHFFFAOYSA-N 0 0 364.533 6.316 10 0 FKAERN Brc1cccc(Cn2c3ccccc3nc2C2CCCCC2)c1 ZINC000040231430 208244443 /nfs/dbraw/zinc/24/44/43/208244443.db2.gz AHWOSTAOHYWPPC-UHFFFAOYSA-N 0 0 369.306 5.895 10 0 FKAERN Brc1ccc(Cn2c3ccccc3nc2C2CCCCC2)cc1 ZINC000040231432 208244041 /nfs/dbraw/zinc/24/40/41/208244041.db2.gz QIXBSLNAZZPLLM-UHFFFAOYSA-N 0 0 369.306 5.895 10 0 FKAERN CC(C)c1ccccc1OCCn1c2ccccc2nc1C1CCCCC1 ZINC000040231443 208244024 /nfs/dbraw/zinc/24/40/24/208244024.db2.gz NNLDDXQFPNEAAR-UHFFFAOYSA-N 0 0 362.517 6.286 10 0 FKAERN CC(C)c1ccc(OCCn2c3ccccc3nc2C2CCCCC2)cc1 ZINC000040231456 205063416 /nfs/dbraw/zinc/06/34/16/205063416.db2.gz DNMMJKSRSIBFRJ-UHFFFAOYSA-N 0 0 362.517 6.286 10 0 FKAERN COc1cccc(OCCCn2c3ccccc3nc2C2CCCCC2)c1 ZINC000040231477 205062652 /nfs/dbraw/zinc/06/26/52/205062652.db2.gz YGHWJKXDNWDTAY-UHFFFAOYSA-N 0 0 364.489 5.562 10 0 FKAERN Cc1cc(C)cc(OCCCn2c3ccccc3nc2C2CCCCC2)c1 ZINC000040231479 208243370 /nfs/dbraw/zinc/24/33/70/208243370.db2.gz APWRHIHEXXDESX-UHFFFAOYSA-N 0 0 362.517 6.170 10 0 FKAERN CCN(C(=O)Cn1c2ccccc2nc1C1CCCCC1)c1ccccc1 ZINC000040231546 205063601 /nfs/dbraw/zinc/06/36/01/205063601.db2.gz XSKYVUJDJYAUAZ-UHFFFAOYSA-N 0 0 361.489 5.137 10 0 FKAERN O=C(Cn1c2ccccc2nc1C1CCCCC1)N1CCCc2ccccc21 ZINC000040231568 136119595 /nfs/dbraw/zinc/11/95/95/136119595.db2.gz IIWWDFDGCXLEAJ-UHFFFAOYSA-N 0 0 373.500 5.063 10 0 FKAERN O=C(Cn1c2ccccc2nc1C1CCCCC1)c1ccc(Cl)cc1 ZINC000040231572 208244131 /nfs/dbraw/zinc/24/41/31/208244131.db2.gz QSJCWTKHHOWKHM-UHFFFAOYSA-N 0 0 352.865 5.620 10 0 FKAERN Cc1cc(OCCCn2c3ccccc3nc2C(F)(F)F)ccc1Cl ZINC000040231857 205063452 /nfs/dbraw/zinc/06/34/52/205063452.db2.gz NGBBCYPGLDHGMW-UHFFFAOYSA-N 0 0 368.786 5.486 10 0 FKAERN CC(C)c1ccc(OCCCn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000040231865 205062902 /nfs/dbraw/zinc/06/29/02/205062902.db2.gz YBAXFRGBTNZAGK-UHFFFAOYSA-N 0 0 362.395 5.648 10 0 FKAERN FC(F)(F)c1nc2ccccc2n1CCCOc1ccc2ccccc2c1 ZINC000040231877 208243800 /nfs/dbraw/zinc/24/38/00/208243800.db2.gz ZHBGIDDJDGEVIW-UHFFFAOYSA-N 0 0 370.374 5.677 10 0 FKAERN Cc1cccc(OCCCCn2c3ccccc3nc2C(F)(F)F)c1C ZINC000040231885 205062914 /nfs/dbraw/zinc/06/29/14/205062914.db2.gz IQXDSZYDOSLUCA-UHFFFAOYSA-N 0 0 362.395 5.531 10 0 FKAERN Cc1ccc(OCCCCn2c3ccccc3nc2C(F)(F)F)c(C)c1 ZINC000040231887 205063265 /nfs/dbraw/zinc/06/32/65/205063265.db2.gz VSVADJGDNDNWOE-UHFFFAOYSA-N 0 0 362.395 5.531 10 0 FKAERN Cc1ccc(OCCCCn2c3ccccc3nc2C(F)(F)F)cc1C ZINC000040231909 208244111 /nfs/dbraw/zinc/24/41/11/208244111.db2.gz SGXLUKRFPRQVKT-UHFFFAOYSA-N 0 0 362.395 5.531 10 0 FKAERN Cc1cc(C)cc(OCCCCn2c3ccccc3nc2C(F)(F)F)c1 ZINC000040231913 208243502 /nfs/dbraw/zinc/24/35/02/208243502.db2.gz MKJYLLMEFIICTF-UHFFFAOYSA-N 0 0 362.395 5.531 10 0 FKAERN FC(F)(F)c1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 ZINC000040231917 205062686 /nfs/dbraw/zinc/06/26/86/205062686.db2.gz FRBKWCKRQHTWIJ-UHFFFAOYSA-N 0 0 368.786 5.568 10 0 FKAERN Cc1cc(C)c(C)c(Cn2c(COc3ccccc3)nc3ccccc32)c1C ZINC000040232175 208243965 /nfs/dbraw/zinc/24/39/65/208243965.db2.gz VHONHQBNFSFHPE-UHFFFAOYSA-N 0 0 370.496 5.897 10 0 FKAERN Cc1cc(C)c(Cn2c(COc3ccccc3)nc3ccccc32)c(C)c1 ZINC000040232177 205063064 /nfs/dbraw/zinc/06/30/64/205063064.db2.gz WHFKUAYAAVFCFF-UHFFFAOYSA-N 0 0 356.469 5.589 10 0 FKAERN Cc1cc(C)cc(OCCn2c(COc3ccccc3)nc3ccccc32)c1 ZINC000040232211 205063261 /nfs/dbraw/zinc/06/32/61/205063261.db2.gz UXFZORVFJAVFKH-UHFFFAOYSA-N 0 0 372.468 5.311 10 0 FKAERN Clc1ccc(OCc2nc3ccccc3n2C/C=C/c2ccccc2)cc1 ZINC000040232381 205063566 /nfs/dbraw/zinc/06/35/66/205063566.db2.gz YEZUTXNCPOYZIM-RMKNXTFCSA-N 0 0 374.871 5.982 10 0 FKAERN Clc1ccccc1OCc1nc2ccccc2n1CCc1ccccc1 ZINC000040232902 205063577 /nfs/dbraw/zinc/06/35/77/205063577.db2.gz WBRRMQOBBAFDIV-UHFFFAOYSA-N 0 0 362.860 5.511 10 0 FKAERN Cc1cccc(OCc2nc3ccccc3n2Cc2ccccc2Cl)c1 ZINC000040234022 205062771 /nfs/dbraw/zinc/06/27/71/205062771.db2.gz ITUYIQLEZUGZGI-UHFFFAOYSA-N 0 0 362.860 5.625 10 0 FKAERN Cc1cccc(OCc2nc3ccccc3n2C/C=C/c2ccccc2)c1 ZINC000040234059 208244375 /nfs/dbraw/zinc/24/43/75/208244375.db2.gz JOXAOFURDRAKMG-XYOKQWHBSA-N 0 0 354.453 5.637 10 0 FKAERN COc1cccc(OCc2nc3ccccc3n2Cc2cc(C)ccc2C)c1 ZINC000040234507 208243317 /nfs/dbraw/zinc/24/33/17/208243317.db2.gz GFBUEELKQQDMIA-UHFFFAOYSA-N 0 0 372.468 5.289 10 0 FKAERN Cc1ccc(OCc2nc3ccccc3n2Cc2c(C)cc(C)cc2C)cc1 ZINC000040234745 208243242 /nfs/dbraw/zinc/24/32/42/208243242.db2.gz RCDQLHSVLDQITA-UHFFFAOYSA-N 0 0 370.496 5.897 10 0 FKAERN Cc1ccc(OCc2nc3ccccc3n2CCCc2ccccc2)cc1 ZINC000040234757 208244476 /nfs/dbraw/zinc/24/44/76/208244476.db2.gz VNYRDQRMNGRWFE-UHFFFAOYSA-N 0 0 356.469 5.557 10 0 FKAERN Cc1ccc(OCc2nc3ccccc3n2C/C=C/c2ccccc2)cc1 ZINC000040234759 208243917 /nfs/dbraw/zinc/24/39/17/208243917.db2.gz MVKDAFZOJZJGMD-JXMROGBWSA-N 0 0 354.453 5.637 10 0 FKAERN Cc1ccc(OCCn2c(COc3ccc(C)cc3)nc3ccccc32)cc1 ZINC000040234795 208243020 /nfs/dbraw/zinc/24/30/20/208243020.db2.gz KJHSTDNVDWNQMZ-UHFFFAOYSA-N 0 0 372.468 5.311 10 0 FKAERN CCc1ccc(OCc2nc3ccccc3n2Cc2cc(C)ccc2C)cc1 ZINC000040234997 205062703 /nfs/dbraw/zinc/06/27/03/205062703.db2.gz VFVUKLIZJKBNNN-UHFFFAOYSA-N 0 0 370.496 5.843 10 0 FKAERN CCc1ccc(OCc2nc3ccccc3n2Cc2cccc(C)c2)cc1 ZINC000040235000 208242997 /nfs/dbraw/zinc/24/29/97/208242997.db2.gz VZVXCUPUVCLFGF-UHFFFAOYSA-N 0 0 356.469 5.534 10 0 FKAERN CCc1ccc(OCc2nc3ccccc3n2Cc2ccccc2F)cc1 ZINC000040235010 208243448 /nfs/dbraw/zinc/24/34/48/208243448.db2.gz UMKLXSBMDANTCP-UHFFFAOYSA-N 0 0 360.432 5.365 10 0 FKAERN CCc1ccc(OCc2nc3ccccc3n2Cc2ccc(OC)cc2)cc1 ZINC000040235026 208243934 /nfs/dbraw/zinc/24/39/34/208243934.db2.gz PLKMPUDVNMDHHY-UHFFFAOYSA-N 0 0 372.468 5.235 10 0 FKAERN CCc1ccc(OCc2nc3ccccc3n2Cc2ccccc2OC)cc1 ZINC000040235036 205063836 /nfs/dbraw/zinc/06/38/36/205063836.db2.gz JZHNSWTVQMDLPC-UHFFFAOYSA-N 0 0 372.468 5.235 10 0 FKAERN CCc1ccc(OCc2nc3ccccc3n2CCc2ccccc2)cc1 ZINC000040235045 208243598 /nfs/dbraw/zinc/24/35/98/208243598.db2.gz SFNCLMVRMVMXNW-UHFFFAOYSA-N 0 0 356.469 5.420 10 0 FKAERN CCc1ccc(OCc2nc3ccccc3n2CCC2CCCCC2)cc1 ZINC000040235046 208243258 /nfs/dbraw/zinc/24/32/58/208243258.db2.gz IPUUFITWUDEGNZ-UHFFFAOYSA-N 0 0 362.517 6.148 10 0 FKAERN COc1ccc(OCc2nc3ccccc3n2CCCc2ccccc2)cc1 ZINC000040235359 220896338 /nfs/dbraw/zinc/89/63/38/220896338.db2.gz VZWVKDONYJCPHX-UHFFFAOYSA-N 0 0 372.468 5.257 10 0 FKAERN CC(C)c1ccc(OCc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000040235603 205064806 /nfs/dbraw/zinc/06/48/06/205064806.db2.gz KAQKJZLWMDVNRL-UHFFFAOYSA-N 0 0 356.469 5.787 10 0 FKAERN CC(C)c1ccc(OCc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 ZINC000040235634 205063783 /nfs/dbraw/zinc/06/37/83/205063783.db2.gz OUODGZWDTJGGHP-UHFFFAOYSA-N 0 0 374.459 5.926 10 0 FKAERN Cc1cc(C)c(Cn2c3ccccc3nc2CCc2ccccc2)c(C)c1 ZINC000040238214 205063887 /nfs/dbraw/zinc/06/38/87/205063887.db2.gz HWVLRYNBVQVIHY-UHFFFAOYSA-N 0 0 354.497 5.795 10 0 FKAERN Cc1cccc(C)c1OCCn1c(CCc2ccccc2)nc2ccccc21 ZINC000040238228 208243113 /nfs/dbraw/zinc/24/31/13/208243113.db2.gz IXPSBOFOSGFBCR-UHFFFAOYSA-N 0 0 370.496 5.517 10 0 FKAERN Cc1cc(C)cc(OCCn2c(/C=C/c3ccccc3)nc3ccccc32)c1 ZINC000040238337 205064678 /nfs/dbraw/zinc/06/46/78/205064678.db2.gz SUSGCDLUFXHAQR-OUKQBFOZSA-N 0 0 368.480 5.903 10 0 FKAERN COc1ccc(OCCn2c(/C=C/c3ccccc3)nc3ccccc32)cc1 ZINC000040238345 205064703 /nfs/dbraw/zinc/06/47/03/205064703.db2.gz GUVIKRZRBCLXBR-LFIBNONCSA-N 0 0 370.452 5.294 10 0 FKAERN COc1ccc(/C=C/c2nc3ccccc3n2Cc2cc(C)ccc2C)cc1 ZINC000040238420 208243830 /nfs/dbraw/zinc/24/38/30/208243830.db2.gz PDTAJOWDPYXHTA-NTCAYCPXSA-N 0 0 368.480 5.880 10 0 FKAERN COc1ccc(/C=C/c2nc3ccccc3n2Cc2ccccc2F)cc1 ZINC000040238423 208244094 /nfs/dbraw/zinc/24/40/94/208244094.db2.gz WSBBPNLRUONKIO-NTCAYCPXSA-N 0 0 358.416 5.403 10 0 FKAERN Clc1ccc(/C=C/c2nc3ccccc3n2C/C=C/c2ccccc2)cc1 ZINC000040238533 208243923 /nfs/dbraw/zinc/24/39/23/208243923.db2.gz KJPFGEUMJDZCHU-YLFIDVRWSA-N 0 0 370.883 6.574 10 0 FKAERN Cc1cc(C)c(C)c(Cn2c(/C=C/c3ccco3)nc3ccccc32)c1C ZINC000040238632 208244076 /nfs/dbraw/zinc/24/40/76/208244076.db2.gz JKGAKRUGGOMBID-VAWYXSNFSA-N 0 0 356.469 6.082 10 0 FKAERN Fc1cccc(Cl)c1Cn1c(/C=C/c2ccco2)nc2ccccc21 ZINC000040238635 205064785 /nfs/dbraw/zinc/06/47/85/205064785.db2.gz IEOAZWBSQIJIQY-ZHACJKMWSA-N 0 0 352.796 5.641 10 0 FKAERN Cc1cccc(C)c1OCCn1c(/C=C/c2ccco2)nc2ccccc21 ZINC000040238649 208244469 /nfs/dbraw/zinc/24/44/69/208244469.db2.gz LHYFQGXCVBORMN-OUKQBFOZSA-N 0 0 358.441 5.496 10 0 FKAERN Cc1cc(C)cc(OCCn2c(/C=C/c3ccco3)nc3ccccc32)c1 ZINC000040238657 205063906 /nfs/dbraw/zinc/06/39/06/205063906.db2.gz LZARFZPQHAJHOY-MDZDMXLPSA-N 0 0 358.441 5.496 10 0 FKAERN CC(C)c1ccc(OCCn2c(/C=C/c3ccco3)nc3ccccc32)cc1 ZINC000040238661 205064776 /nfs/dbraw/zinc/06/47/76/205064776.db2.gz UIZSNZJNSOOSPD-BUHFOSPRSA-N 0 0 372.468 6.002 10 0 FKAERN Cc1cccc(C)c1OCCCn1c(/C=C/c2ccco2)nc2ccccc21 ZINC000040238670 205064767 /nfs/dbraw/zinc/06/47/67/205064767.db2.gz UMYMLWOJPGEJSB-BUHFOSPRSA-N 0 0 372.468 5.886 10 0 FKAERN O=C(Cn1c(C=Cc2ccco2)nc2ccccc21)c1ccc(Cl)cc1 ZINC000040238742 208242926 /nfs/dbraw/zinc/24/29/26/208242926.db2.gz LLPLTKDZWHNLSE-VAWYXSNFSA-N 0 0 362.816 5.336 10 0 FKAERN Brc1ccc(Cn2c3ccccc3nc2-c2ccco2)cc1 ZINC000040238995 208243740 /nfs/dbraw/zinc/24/37/40/208243740.db2.gz PFUOOVJWWORARW-UHFFFAOYSA-N 0 0 353.219 5.107 10 0 FKAERN Cc1cc(OCCn2c3ccccc3nc2-c2ccco2)cc(C)c1Cl ZINC000040239015 208243301 /nfs/dbraw/zinc/24/33/01/208243301.db2.gz LTWFRQRZIUKJFV-UHFFFAOYSA-N 0 0 366.848 5.646 10 0 FKAERN Cc1cc(OCCn2c3ccccc3nc2-c2ccco2)ccc1Cl ZINC000040239016 205064216 /nfs/dbraw/zinc/06/42/16/205064216.db2.gz XQJBASLRBXXOPE-UHFFFAOYSA-N 0 0 352.821 5.337 10 0 FKAERN CC(C)(C)c1ccc(OCCn2c3ccccc3nc2-c2ccco2)cc1 ZINC000040239021 208244265 /nfs/dbraw/zinc/24/42/65/208244265.db2.gz OHOHLYBGVZQEBW-UHFFFAOYSA-N 0 0 360.457 5.673 10 0 FKAERN CC(C)(C)c1ccc(OCCCn2c3ccccc3nc2-c2ccco2)cc1 ZINC000040239046 205064355 /nfs/dbraw/zinc/06/43/55/205064355.db2.gz UYNNCJXAEFVIBA-UHFFFAOYSA-N 0 0 374.484 6.063 10 0 FKAERN Cc1cc(C)cc(OCCCCn2c3ccccc3nc2-c2ccco2)c1 ZINC000040239063 205063916 /nfs/dbraw/zinc/06/39/16/205063916.db2.gz OZCCFVTYIIGHOG-UHFFFAOYSA-N 0 0 360.457 5.772 10 0 FKAERN Cc1cc(OCCn2c3ccccc3nc2-c2cccs2)ccc1Cl ZINC000040239125 208243550 /nfs/dbraw/zinc/24/35/50/208243550.db2.gz NIYOPEQYZLTLGU-UHFFFAOYSA-N 0 0 368.889 5.806 10 0 FKAERN Clc1ccc(OCCn2c3ccccc3nc2-c2cccs2)cc1 ZINC000040239126 208242849 /nfs/dbraw/zinc/24/28/49/208242849.db2.gz CLWLLAMNDOJBIW-UHFFFAOYSA-N 0 0 354.862 5.497 10 0 FKAERN CC(C)c1ccc(OCCn2c3ccccc3nc2-c2cccs2)cc1 ZINC000040239128 208243172 /nfs/dbraw/zinc/24/31/72/208243172.db2.gz MIRZGUBIDATJHW-UHFFFAOYSA-N 0 0 362.498 5.967 10 0 FKAERN Cc1cccc(C)c1OCCCn1c2ccccc2nc1-c1cccs1 ZINC000040239136 208244507 /nfs/dbraw/zinc/24/45/07/208244507.db2.gz OXRGAVIQMYZEPI-UHFFFAOYSA-N 0 0 362.498 5.851 10 0 FKAERN Cc1ccc(C(C)C)c(OCCn2c3ccccc3nc2C(C)(C)C)c1 ZINC000040239224 205064733 /nfs/dbraw/zinc/06/47/33/205064733.db2.gz FXHAHEDCLJSLHZ-UHFFFAOYSA-N 0 0 350.506 5.845 10 0 FKAERN CC(C)(C)c1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 ZINC000040239239 205063865 /nfs/dbraw/zinc/06/38/65/205063865.db2.gz OOQVTFYMXYCJBP-UHFFFAOYSA-N 0 0 350.506 5.710 10 0 FKAERN Cc1ccc(C(C)C)c(OCCCn2c3ccccc3nc2C(C)(C)C)c1 ZINC000040239249 205063737 /nfs/dbraw/zinc/06/37/37/205063737.db2.gz RWCCUMADNGYNSG-UHFFFAOYSA-N 0 0 364.533 6.235 10 0 FKAERN CC(C)(C)c1nc2ccccc2n1CCCOc1ccc(C(C)(C)C)cc1 ZINC000040239267 205063728 /nfs/dbraw/zinc/06/37/28/205063728.db2.gz VAJCCVUBQSQDKZ-UHFFFAOYSA-N 0 0 364.533 6.100 10 0 FKAERN CC(C)(C)c1nc2ccccc2n1CCCOc1cccc2ccccc21 ZINC000040239270 205064686 /nfs/dbraw/zinc/06/46/86/205064686.db2.gz WAOFOFQXUQQKON-UHFFFAOYSA-N 0 0 358.485 5.956 10 0 FKAERN Cc1cccc(C)c1OCCCCn1c2ccccc2nc1C(C)(C)C ZINC000040239277 205064200 /nfs/dbraw/zinc/06/42/00/205064200.db2.gz PEKSBJVWHZYWPZ-UHFFFAOYSA-N 0 0 350.506 5.810 10 0 FKAERN CC(C)c1ccc(OCCCCn2c3ccccc3nc2C(C)(C)C)cc1 ZINC000040239294 205063747 /nfs/dbraw/zinc/06/37/47/205063747.db2.gz UJCSGFQMNLICDG-UHFFFAOYSA-N 0 0 364.533 6.316 10 0 FKAERN Brc1cccc(Cn2c3ccccc3nc2-c2ccccc2)c1 ZINC000040239335 208242990 /nfs/dbraw/zinc/24/29/90/208242990.db2.gz AYRRGDXATGPLQV-UHFFFAOYSA-N 0 0 363.258 5.514 10 0 FKAERN Cc1ccc(C(C)C)c(OCCn2c3ccccc3nc2-c2ccccc2)c1 ZINC000040239349 205064564 /nfs/dbraw/zinc/06/45/64/205064564.db2.gz ZEJTYSAWAUBSLU-UHFFFAOYSA-N 0 0 370.496 6.214 10 0 FKAERN Cc1cc(OCCn2c3ccccc3nc2-c2ccccc2)ccc1Cl ZINC000040239358 208244166 /nfs/dbraw/zinc/24/41/66/208244166.db2.gz IDBTXWWEBFSSBN-UHFFFAOYSA-N 0 0 362.860 5.744 10 0 FKAERN CC(C)c1ccc(OCCn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000040239361 205063840 /nfs/dbraw/zinc/06/38/40/205063840.db2.gz QYSHQXUHBILEAE-UHFFFAOYSA-N 0 0 356.469 5.906 10 0 FKAERN Cc1cc(C)cc(OCCCn2c3ccccc3nc2-c2ccccc2)c1 ZINC000040239377 208243184 /nfs/dbraw/zinc/24/31/84/208243184.db2.gz JMASFBVVGOZIBE-UHFFFAOYSA-N 0 0 356.469 5.789 10 0 FKAERN CC(C)c1ccc(OCCCn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000040239381 220896706 /nfs/dbraw/zinc/89/67/06/220896706.db2.gz QWHQTNVPHFSAGQ-UHFFFAOYSA-N 0 0 370.496 6.296 10 0 FKAERN COc1ccc(OCCCn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000040239385 205064560 /nfs/dbraw/zinc/06/45/60/205064560.db2.gz APFLBTLAWDIWSH-UHFFFAOYSA-N 0 0 358.441 5.181 10 0 FKAERN Cc1cccc(C)c1OCCCCn1c2ccccc2nc1-c1ccccc1 ZINC000040239391 208244499 /nfs/dbraw/zinc/24/44/99/208244499.db2.gz IHTIBDSKPGRXFN-UHFFFAOYSA-N 0 0 370.496 6.179 10 0 FKAERN Cc1ccccc1-c1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000040239472 205064263 /nfs/dbraw/zinc/06/42/63/205064263.db2.gz YUAOTTHHKDEWME-UHFFFAOYSA-N 0 0 354.497 6.358 10 0 FKAERN Cc1ccc(OCCn2c3ccccc3nc2-c2ccccc2C)c(C)c1 ZINC000040239484 205064650 /nfs/dbraw/zinc/06/46/50/205064650.db2.gz CEONWRVWYDQAFG-UHFFFAOYSA-N 0 0 356.469 5.708 10 0 FKAERN Cc1ccc(C)c(OCCn2c3ccccc3nc2-c2ccccc2C)c1 ZINC000040239485 208244034 /nfs/dbraw/zinc/24/40/34/208244034.db2.gz WCDUFNHCOGVDRH-UHFFFAOYSA-N 0 0 356.469 5.708 10 0 FKAERN Cc1ccccc1-c1nc2ccccc2n1CCOc1ccccc1C(C)C ZINC000040239488 205063848 /nfs/dbraw/zinc/06/38/48/205063848.db2.gz DUPQBCYBNXSKJW-UHFFFAOYSA-N 0 0 370.496 6.214 10 0 FKAERN Cc1ccccc1-c1nc2ccccc2n1CCOc1ccc(C(C)C)cc1 ZINC000040239502 205064059 /nfs/dbraw/zinc/06/40/59/205064059.db2.gz QHNYCOKYRIGDKC-UHFFFAOYSA-N 0 0 370.496 6.214 10 0 FKAERN COc1cccc(OCCn2c3ccccc3nc2-c2ccccc2C)c1 ZINC000040239507 208244155 /nfs/dbraw/zinc/24/41/55/208244155.db2.gz WPBXJSPELNNKOA-UHFFFAOYSA-N 0 0 358.441 5.099 10 0 FKAERN Cc1cc(C)cc(OCCCn2c3ccccc3nc2-c2ccccc2C)c1 ZINC000040239522 205064182 /nfs/dbraw/zinc/06/41/82/205064182.db2.gz YXYNVKUDGDZNOV-UHFFFAOYSA-N 0 0 370.496 6.098 10 0 FKAERN Cc1ccc(OCCn2c3ccccc3nc2-c2ccccc2C)cc1C ZINC000040239534 205064227 /nfs/dbraw/zinc/06/42/27/205064227.db2.gz YLNBVEIDNVIZPH-UHFFFAOYSA-N 0 0 356.469 5.708 10 0 FKAERN Cc1ccccc1-c1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1 ZINC000040239582 205064006 /nfs/dbraw/zinc/06/40/06/205064006.db2.gz PLABHEVOTZHNCF-UHFFFAOYSA-N 0 0 360.844 5.548 10 0 FKAERN Cc1cccc(-c2nc3ccccc3n2Cc2c(F)cccc2Cl)c1 ZINC000040239603 208243910 /nfs/dbraw/zinc/24/39/10/208243910.db2.gz LHZSZSATESNJSX-UHFFFAOYSA-N 0 0 350.824 5.853 10 0 FKAERN Cc1cccc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)c1 ZINC000040239604 208243623 /nfs/dbraw/zinc/24/36/23/208243623.db2.gz NYRIFOFVHXEMTL-UHFFFAOYSA-N 0 0 367.279 6.367 10 0 FKAERN Cc1cccc(-c2nc3ccccc3n2CCOc2cc(C)cc(C)c2)c1 ZINC000040239630 205064421 /nfs/dbraw/zinc/06/44/21/205064421.db2.gz ZYIDHKGWCZZYRP-UHFFFAOYSA-N 0 0 356.469 5.708 10 0 FKAERN COc1cccc(OCCn2c3ccccc3nc2-c2cccc(C)c2)c1 ZINC000040239640 205064818 /nfs/dbraw/zinc/06/48/18/205064818.db2.gz ZGYDSEUJWHCXJV-UHFFFAOYSA-N 0 0 358.441 5.099 10 0 FKAERN Cc1cccc(-c2nc3ccccc3n2CCCOc2cc(C)cc(C)c2)c1 ZINC000040239655 208243221 /nfs/dbraw/zinc/24/32/21/208243221.db2.gz SCDIVUFOKLPMFO-UHFFFAOYSA-N 0 0 370.496 6.098 10 0 FKAERN Cc1ccc(OCCCn2c3ccccc3nc2-c2cccc(C)c2)cc1 ZINC000040239659 205064779 /nfs/dbraw/zinc/06/47/79/205064779.db2.gz PNGBJIKEEHKULG-UHFFFAOYSA-N 0 0 356.469 5.789 10 0 FKAERN Cc1cccc(-c2nc3ccccc3n2CCOc2ccc(C)c(C)c2)c1 ZINC000040239667 538140543 /nfs/dbraw/zinc/14/05/43/538140543.db2.gz CZKLQYDPVUKDBH-UHFFFAOYSA-N 0 0 356.469 5.708 10 0 FKAERN Cc1cccc(-c2nc3ccccc3n2CC(=O)c2ccc(Cl)cc2)c1 ZINC000040239713 205064514 /nfs/dbraw/zinc/06/45/14/205064514.db2.gz HWIWJOGOEBDQGD-UHFFFAOYSA-N 0 0 360.844 5.548 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)cc1 ZINC000040239726 205063957 /nfs/dbraw/zinc/06/39/57/205063957.db2.gz PORMLHMXYRBXFB-UHFFFAOYSA-N 0 0 367.279 6.367 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2Cc2c(F)cccc2Cl)cc1 ZINC000040239727 208242872 /nfs/dbraw/zinc/24/28/72/208242872.db2.gz MWNFTMIPBUHNPK-UHFFFAOYSA-N 0 0 350.824 5.853 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000040239729 208244339 /nfs/dbraw/zinc/24/43/39/208244339.db2.gz LPCUCXXGZLKMMT-UHFFFAOYSA-N 0 0 367.279 6.367 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2CCOc2cccc(C)c2C)cc1 ZINC000040239738 208243089 /nfs/dbraw/zinc/24/30/89/208243089.db2.gz GERDEWLBXAZNAO-UHFFFAOYSA-N 0 0 356.469 5.708 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2CCOc2ccc(C)cc2C)cc1 ZINC000040239739 205064222 /nfs/dbraw/zinc/06/42/22/205064222.db2.gz AKKMJGSKIUUNKV-UHFFFAOYSA-N 0 0 356.469 5.708 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2CCOc2c(C)cccc2C)cc1 ZINC000040239741 208243288 /nfs/dbraw/zinc/24/32/88/208243288.db2.gz OPDPHZQRTAZOIR-UHFFFAOYSA-N 0 0 356.469 5.708 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2CCOc2ccccc2C(C)C)cc1 ZINC000040239743 208244055 /nfs/dbraw/zinc/24/40/55/208244055.db2.gz RIAFOEMQGGVKAA-UHFFFAOYSA-N 0 0 370.496 6.214 10 0 FKAERN CCc1ccc(OCCn2c3ccccc3nc2-c2ccc(C)cc2)cc1 ZINC000040249301 208243333 /nfs/dbraw/zinc/24/33/33/208243333.db2.gz FYTGLNKKTMGPEQ-UHFFFAOYSA-N 0 0 356.469 5.653 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2CCOc2ccc(C(C)C)cc2)cc1 ZINC000040249302 205063899 /nfs/dbraw/zinc/06/38/99/205063899.db2.gz VUXHRHUWLFKSFP-UHFFFAOYSA-N 0 0 370.496 6.214 10 0 FKAERN COc1ccc(OCCn2c3ccccc3nc2-c2ccc(C)cc2)cc1 ZINC000040249306 208243416 /nfs/dbraw/zinc/24/34/16/208243416.db2.gz HGMYRQIJFDEHNC-UHFFFAOYSA-N 0 0 358.441 5.099 10 0 FKAERN COc1cccc(OCCn2c3ccccc3nc2-c2ccc(C)cc2)c1 ZINC000040249307 208243848 /nfs/dbraw/zinc/24/38/48/208243848.db2.gz OZWLFLHWYKKXEI-UHFFFAOYSA-N 0 0 358.441 5.099 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2CCCOc2c(C)cccc2C)cc1 ZINC000040249311 208243887 /nfs/dbraw/zinc/24/38/87/208243887.db2.gz IQKLATBBHVUZER-UHFFFAOYSA-N 0 0 370.496 6.098 10 0 FKAERN COc1ccc(OCCCn2c3ccccc3nc2-c2ccc(C)cc2)cc1 ZINC000040249329 205064433 /nfs/dbraw/zinc/06/44/33/205064433.db2.gz PAHJSUKDRHWXAA-UHFFFAOYSA-N 0 0 372.468 5.489 10 0 FKAERN CCc1ccc(OCCCn2c3ccccc3nc2-c2ccc(C)cc2)cc1 ZINC000040249330 205064156 /nfs/dbraw/zinc/06/41/56/205064156.db2.gz NCZPUFYSCOOHPS-UHFFFAOYSA-N 0 0 370.496 6.043 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2CCOc2ccc(C)c(C)c2)cc1 ZINC000040249333 205064815 /nfs/dbraw/zinc/06/48/15/205064815.db2.gz BCKSWCSITIOXHK-UHFFFAOYSA-N 0 0 356.469 5.708 10 0 FKAERN CCN(C(=O)Cn1c2ccccc2nc1-c1ccc(C)cc1)c1ccccc1 ZINC000040249364 538124527 /nfs/dbraw/zinc/12/45/27/538124527.db2.gz KMBYYMOQFXSGLV-UHFFFAOYSA-N 0 0 369.468 5.065 10 0 FKAERN Cc1ccc(OCCCCn2c3ccccc3nc2-c2ccc(C)cc2)cc1 ZINC000040249387 205064544 /nfs/dbraw/zinc/06/45/44/205064544.db2.gz UKSNQBHKZNWXDV-UHFFFAOYSA-N 0 0 370.496 6.179 10 0 FKAERN Fc1cccc(Cl)c1Cn1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000040249406 205064826 /nfs/dbraw/zinc/06/48/26/205064826.db2.gz LFGBJBCLORCZKY-UHFFFAOYSA-N 0 0 371.242 6.198 10 0 FKAERN Clc1ccc(-c2nc3ccccc3n2Cc2ccccc2Cl)cc1 ZINC000040249408 205063996 /nfs/dbraw/zinc/06/39/96/205063996.db2.gz KGMMBIPSXAEIEM-UHFFFAOYSA-N 0 0 353.252 6.058 10 0 FKAERN CC(C)(C)c1ccc(Cn2c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000040249416 208244289 /nfs/dbraw/zinc/24/42/89/208244289.db2.gz VRPCSXLRFILXMP-UHFFFAOYSA-N 0 0 374.915 6.703 10 0 FKAERN Clc1ccc(-c2nc3ccccc3n2Cc2ccc3ccccc3c2)cc1 ZINC000040249420 205063942 /nfs/dbraw/zinc/06/39/42/205063942.db2.gz SHVFAMREHYNYTL-UHFFFAOYSA-N 0 0 368.867 6.558 10 0 FKAERN Cc1cccc(OCCn2c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000040249436 208242909 /nfs/dbraw/zinc/24/29/09/208242909.db2.gz QHGSDSBBNDWMBU-UHFFFAOYSA-N 0 0 362.860 5.744 10 0 FKAERN CC(C)N(C(=O)Cn1c2ccccc2nc1-c1ccc(Cl)cc1)C(C)C ZINC000040249498 538121181 /nfs/dbraw/zinc/12/11/81/538121181.db2.gz CNAHEXSHTWEKMI-UHFFFAOYSA-N 0 0 369.896 5.002 10 0 FKAERN Brc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000040249538 208044440 /nfs/dbraw/zinc/04/44/40/208044440.db2.gz LEMXEWCHMKERQU-UHFFFAOYSA-N 0 0 363.258 5.514 10 0 FKAERN COc1ccc(-c2nc3ccccc3n2CCOc2c(C)cccc2C)cc1 ZINC000040249723 208243199 /nfs/dbraw/zinc/24/31/99/208243199.db2.gz BWDGLYXJEAMHLS-UHFFFAOYSA-N 0 0 372.468 5.408 10 0 FKAERN COc1ccc(-c2nc3ccccc3n2CCOc2ccc(C)cc2)cc1 ZINC000040249735 205064027 /nfs/dbraw/zinc/06/40/27/205064027.db2.gz QXXGCYBIBYLACK-UHFFFAOYSA-N 0 0 358.441 5.099 10 0 FKAERN COc1ccc(-c2nc3ccccc3n2C/C=C/c2ccccc2)cc1OC ZINC000040249830 208243096 /nfs/dbraw/zinc/24/30/96/208243096.db2.gz LDGOCXIDSBTSAY-DHZHZOJOSA-N 0 0 370.452 5.434 10 0 FKAERN CCCCCCn1c2ccccc2nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000040249942 208243605 /nfs/dbraw/zinc/24/36/05/208243605.db2.gz FAIRGESYZBXDHP-UHFFFAOYSA-N 0 0 368.477 5.309 10 0 FKAERN COc1cccc(-c2nc3ccccc3n2Cc2c(C)c(C)cc(C)c2C)c1 ZINC000040250101 205064530 /nfs/dbraw/zinc/06/45/30/205064530.db2.gz JQTYQMISMMNZMO-UHFFFAOYSA-N 0 0 370.496 5.994 10 0 FKAERN COc1cccc(-c2nc3ccccc3n2Cc2c(F)cccc2Cl)c1 ZINC000040250104 208244213 /nfs/dbraw/zinc/24/42/13/208244213.db2.gz HGQLLFFNKPTTPN-UHFFFAOYSA-N 0 0 366.823 5.553 10 0 FKAERN COc1cccc(-c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000040250116 208243540 /nfs/dbraw/zinc/24/35/40/208243540.db2.gz SDWQVUBQDOICIT-UHFFFAOYSA-N 0 0 370.496 6.058 10 0 FKAERN COc1cccc(-c2nc3ccccc3n2Cc2cccc3ccccc32)c1 ZINC000040250119 205064049 /nfs/dbraw/zinc/06/40/49/205064049.db2.gz JZVKAPYCHLFIKZ-UHFFFAOYSA-N 0 0 364.448 5.913 10 0 FKAERN COc1cccc(-c2nc3ccccc3n2Cc2ccc3ccccc3c2)c1 ZINC000040250120 205064460 /nfs/dbraw/zinc/06/44/60/205064460.db2.gz ZFVSKQIGXLHKTC-UHFFFAOYSA-N 0 0 364.448 5.913 10 0 FKAERN COc1cccc(-c2nc3ccccc3n2CCOc2c(C)cccc2C)c1 ZINC000040250131 205063921 /nfs/dbraw/zinc/06/39/21/205063921.db2.gz QMOHFGDUSIFIPJ-UHFFFAOYSA-N 0 0 372.468 5.408 10 0 FKAERN CCCCCCn1c2ccccc2nc1-c1cccc(Br)c1 ZINC000040250245 208244175 /nfs/dbraw/zinc/24/41/75/208244175.db2.gz DKMYLXLWOYIASN-UHFFFAOYSA-N 0 0 357.295 6.046 10 0 FKAERN Cc1cc(C)c(C)c(Cn2c3ccccc3nc2-c2cccc(Cl)c2)c1C ZINC000040250384 208243836 /nfs/dbraw/zinc/24/38/36/208243836.db2.gz POVSMIWTMVFISC-UHFFFAOYSA-N 0 0 374.915 6.639 10 0 FKAERN Cc1cc(C)c(Cn2c3ccccc3nc2-c2cccc(Cl)c2)c(C)c1 ZINC000040250385 205064758 /nfs/dbraw/zinc/06/47/58/205064758.db2.gz RGYDJIAOXYHGDT-UHFFFAOYSA-N 0 0 360.888 6.330 10 0 FKAERN Clc1ccc(Cn2c3ccccc3nc2-c2cccc(Cl)c2)cc1 ZINC000040250391 208242942 /nfs/dbraw/zinc/24/29/42/208242942.db2.gz MFALEMSQXMKVPA-UHFFFAOYSA-N 0 0 353.252 6.058 10 0 FKAERN CC(C)c1ccc(Cn2c3ccccc3nc2-c2cccc(Cl)c2)cc1 ZINC000040250400 538122666 /nfs/dbraw/zinc/12/26/66/538122666.db2.gz PTDDOJALRRGHOY-UHFFFAOYSA-N 0 0 360.888 6.528 10 0 FKAERN Clc1cccc(-c2nc3ccccc3n2Cc2cccc3ccccc32)c1 ZINC000040250402 205064102 /nfs/dbraw/zinc/06/41/02/205064102.db2.gz ALMVVWCMBWKLQX-UHFFFAOYSA-N 0 0 368.867 6.558 10 0 FKAERN Clc1cccc(-c2nc3ccccc3n2Cc2ccc3ccccc3c2)c1 ZINC000040250403 205064313 /nfs/dbraw/zinc/06/43/13/205064313.db2.gz RYYCCURJYSALOR-UHFFFAOYSA-N 0 0 368.867 6.558 10 0 FKAERN Cc1cccc(OCCn2c3ccccc3nc2-c2cccc(Cl)c2)c1 ZINC000040250422 205063812 /nfs/dbraw/zinc/06/38/12/205063812.db2.gz AVARWXAPSNHXSE-UHFFFAOYSA-N 0 0 362.860 5.744 10 0 FKAERN Clc1cccc(-c2nc3ccccc3n2CCCOc2ccccc2)c1 ZINC000040250436 208244191 /nfs/dbraw/zinc/24/41/91/208244191.db2.gz NRTRFRNUYGAMII-UHFFFAOYSA-N 0 0 362.860 5.826 10 0 FKAERN CC(C)N(C(=O)Cn1c2ccccc2nc1-c1cccc(Cl)c1)C(C)C ZINC000040250494 205064739 /nfs/dbraw/zinc/06/47/39/205064739.db2.gz CKTUDKJKGOBYGS-UHFFFAOYSA-N 0 0 369.896 5.002 10 0 FKAERN Cc1cc(C)c(C)c(Cn2c3ccccc3nc2-c2ccccc2Cl)c1C ZINC000040250528 205064131 /nfs/dbraw/zinc/06/41/31/205064131.db2.gz BTNKMUOXAXPAPU-UHFFFAOYSA-N 0 0 374.915 6.639 10 0 FKAERN O=C(Cn1c2ccccc2nc1C1CCCCC1)Nc1ccccc1Cl ZINC000040295813 205065730 /nfs/dbraw/zinc/06/57/30/205065730.db2.gz CIGSQGSLRQQLOF-UHFFFAOYSA-N 0 0 367.880 5.376 10 0 FKAERN CCc1ccccc1NC(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC000040295819 205066073 /nfs/dbraw/zinc/06/60/73/205066073.db2.gz RQEKPZZOGILBDH-UHFFFAOYSA-N 0 0 361.489 5.285 10 0 FKAERN O=C(Cn1c2ccccc2nc1C1CCCCC1)Nc1cccc(Cl)c1 ZINC000040295823 205065199 /nfs/dbraw/zinc/06/51/99/205065199.db2.gz FDAGHQMWWGAJKN-UHFFFAOYSA-N 0 0 367.880 5.376 10 0 FKAERN CCc1ccc(NC(=O)Cn2c3ccccc3nc2C2CCCCC2)cc1 ZINC000040295845 205065859 /nfs/dbraw/zinc/06/58/59/205065859.db2.gz HKILWRLCURTRMJ-UHFFFAOYSA-N 0 0 361.489 5.285 10 0 FKAERN Cc1cccc(NC(=O)Cn2c3ccccc3nc2C2CCCCC2)c1C ZINC000040295849 208247563 /nfs/dbraw/zinc/24/75/63/208247563.db2.gz WRQCYWTZTIMEFR-UHFFFAOYSA-N 0 0 361.489 5.340 10 0 FKAERN Cc1ccc(NC(=O)Cn2c3ccccc3nc2C2CCCCC2)c(C)c1 ZINC000040295851 205065218 /nfs/dbraw/zinc/06/52/18/205065218.db2.gz RBFAPPPLZBJCTB-UHFFFAOYSA-N 0 0 361.489 5.340 10 0 FKAERN Cc1ccc(C)c(NC(=O)Cn2c3ccccc3nc2C2CCCCC2)c1 ZINC000040295855 205065153 /nfs/dbraw/zinc/06/51/53/205065153.db2.gz VCYQODDIYPDSMW-UHFFFAOYSA-N 0 0 361.489 5.340 10 0 FKAERN Cc1ccc(NC(=O)Cn2c3ccccc3nc2C2CCCCC2)cc1C ZINC000040295859 208247107 /nfs/dbraw/zinc/24/71/07/208247107.db2.gz UWBPFLIXTWSBIZ-UHFFFAOYSA-N 0 0 361.489 5.340 10 0 FKAERN CCc1ccccc1NC(=O)Cn1c2ccccc2nc1-c1ccccc1C ZINC000040306586 205066769 /nfs/dbraw/zinc/06/67/69/205066769.db2.gz SYAHZUXAGWFFAV-UHFFFAOYSA-N 0 0 369.468 5.213 10 0 FKAERN Cc1cccc(NC(=O)Cn2c3ccccc3nc2-c2ccccc2C)c1C ZINC000040306616 208246514 /nfs/dbraw/zinc/24/65/14/208246514.db2.gz FFZYRNLUJHJFRQ-UHFFFAOYSA-N 0 0 369.468 5.267 10 0 FKAERN Cc1ccccc1-c1nc2ccccc2n1CC(=O)Nc1c(C)cccc1C ZINC000040306620 208246355 /nfs/dbraw/zinc/24/63/55/208246355.db2.gz ZTPFFPOLORZJPQ-UHFFFAOYSA-N 0 0 369.468 5.267 10 0 FKAERN Cc1ccc(C)c(NC(=O)Cn2c3ccccc3nc2-c2ccccc2C)c1 ZINC000040306622 205066876 /nfs/dbraw/zinc/06/68/76/205066876.db2.gz KMJJHTLZHKRKOR-UHFFFAOYSA-N 0 0 369.468 5.267 10 0 FKAERN Cc1ccc(NC(=O)Cn2c3ccccc3nc2-c2ccccc2C)cc1C ZINC000040306626 220900282 /nfs/dbraw/zinc/90/02/82/220900282.db2.gz ITOUKAGRXKWOEL-UHFFFAOYSA-N 0 0 369.468 5.267 10 0 FKAERN CCc1ccccc1NC(=O)Cn1c2ccccc2nc1-c1cccc(C)c1 ZINC000040306735 205066688 /nfs/dbraw/zinc/06/66/88/205066688.db2.gz GCHFJZRWVVRMKU-UHFFFAOYSA-N 0 0 369.468 5.213 10 0 FKAERN Cc1cccc(-c2nc3ccccc3n2CC(=O)Nc2cccc(C)c2C)c1 ZINC000040306764 208247035 /nfs/dbraw/zinc/24/70/35/208247035.db2.gz IAUOHMSHZKWUBX-UHFFFAOYSA-N 0 0 369.468 5.267 10 0 FKAERN Cc1cccc(-c2nc3ccccc3n2CC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000040306771 208247367 /nfs/dbraw/zinc/24/73/67/208247367.db2.gz KWXRWBWISXOTEC-UHFFFAOYSA-N 0 0 369.468 5.267 10 0 FKAERN CCc1ccccc1NC(=O)Cn1c2ccccc2nc1-c1ccc(C)cc1 ZINC000040307244 205066808 /nfs/dbraw/zinc/06/68/08/205066808.db2.gz CPDJIPGANSSYTK-UHFFFAOYSA-N 0 0 369.468 5.213 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2CC(=O)Nc2cccc(C)c2C)cc1 ZINC000040307273 211740047 /nfs/dbraw/zinc/74/00/47/211740047.db2.gz ZVINXVKZMDUSPL-UHFFFAOYSA-N 0 0 369.468 5.267 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2CC(=O)Nc2c(C)cccc2C)cc1 ZINC000040307277 205066482 /nfs/dbraw/zinc/06/64/82/205066482.db2.gz RDAZOUQJAWPJLY-UHFFFAOYSA-N 0 0 369.468 5.267 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000040307279 220900678 /nfs/dbraw/zinc/90/06/78/220900678.db2.gz BUXCTVKFLQDBCS-UHFFFAOYSA-N 0 0 369.468 5.267 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2CC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000040307281 205067118 /nfs/dbraw/zinc/06/71/18/205067118.db2.gz DSVDQQYEYIRAHE-UHFFFAOYSA-N 0 0 369.468 5.267 10 0 FKAERN Cc1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000040307283 220900568 /nfs/dbraw/zinc/90/05/68/220900568.db2.gz YUPCEVJDXLWFMJ-UHFFFAOYSA-N 0 0 369.468 5.267 10 0 FKAERN Cc1cccc(C)c1NC(=O)Cn1c2ccccc2nc1-c1cccs1 ZINC000040307909 208246882 /nfs/dbraw/zinc/24/68/82/208246882.db2.gz VUUMEYPNNIXUCH-UHFFFAOYSA-N 0 0 361.470 5.020 10 0 FKAERN Cc1ccc(C)c(NC(=O)Cn2c3ccccc3nc2-c2cccs2)c1 ZINC000040307911 205067027 /nfs/dbraw/zinc/06/70/27/205067027.db2.gz OJXIPXCTIYCBBZ-UHFFFAOYSA-N 0 0 361.470 5.020 10 0 FKAERN Cc1ccc(NC(=O)Cn2c3ccccc3nc2-c2cccs2)cc1C ZINC000040307913 220900322 /nfs/dbraw/zinc/90/03/22/220900322.db2.gz GPUPKDXCCJSIAN-UHFFFAOYSA-N 0 0 361.470 5.020 10 0 FKAERN CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(F)cc1F ZINC000040308768 208246767 /nfs/dbraw/zinc/24/67/67/208246767.db2.gz HKYUBSGGTWWVBI-UHFFFAOYSA-N 0 0 362.763 5.087 10 0 FKAERN O=C(NCc1nc(-c2ccc(Cl)cc2)cs1)c1cccc(Cl)c1 ZINC000040323932 208247481 /nfs/dbraw/zinc/24/74/81/208247481.db2.gz PAJXVMNEFHSXIG-UHFFFAOYSA-N 0 0 363.269 5.047 10 0 FKAERN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NCc1nc2ccccc2s1 ZINC000040324133 205066501 /nfs/dbraw/zinc/06/65/01/205066501.db2.gz NWESBWYWLGUVJQ-UHFFFAOYSA-N 0 0 370.861 5.243 10 0 FKAERN Cc1c2ccc(C)cc2oc1C(=O)NCc1nc(-c2ccccc2)cs1 ZINC000040324645 208246904 /nfs/dbraw/zinc/24/69/04/208246904.db2.gz OHPOSYWAMHLUHL-UHFFFAOYSA-N 0 0 362.454 5.103 10 0 FKAERN Cc1nc(C(=O)Nc2cccc(Cl)c2Cl)c(-c2ccccc2)s1 ZINC000040326302 220902566 /nfs/dbraw/zinc/90/25/66/220902566.db2.gz YAOCRTJWAFNFMH-UHFFFAOYSA-N 0 0 363.269 5.678 10 0 FKAERN Cc1nc(C(=O)Nc2ccc(Cl)cc2Cl)c(-c2ccccc2)s1 ZINC000040326304 208247614 /nfs/dbraw/zinc/24/76/14/208247614.db2.gz UEVUHNCKLUAYGK-UHFFFAOYSA-N 0 0 363.269 5.678 10 0 FKAERN Cc1nc(C(=O)Nc2cc(Cl)ccc2Cl)c(-c2ccccc2)s1 ZINC000040326306 208247520 /nfs/dbraw/zinc/24/75/20/208247520.db2.gz BXVJJLUYDYTWFC-UHFFFAOYSA-N 0 0 363.269 5.678 10 0 FKAERN Cc1nc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(-c2ccccc2)s1 ZINC000040326308 205066476 /nfs/dbraw/zinc/06/64/76/205066476.db2.gz JZWUERRNFXXBGG-UHFFFAOYSA-N 0 0 363.269 5.678 10 0 FKAERN Cc1nc(C(=O)Nc2cccc(C(F)(F)F)c2)c(-c2ccccc2)s1 ZINC000040326314 208247283 /nfs/dbraw/zinc/24/72/83/208247283.db2.gz XCFAONHEWFETRC-UHFFFAOYSA-N 0 0 362.376 5.390 10 0 FKAERN COc1ccc(NC(=O)c2nc(C)sc2-c2ccccc2)cc1Cl ZINC000040326339 205066906 /nfs/dbraw/zinc/06/69/06/205066906.db2.gz GBCQZCCNHJFLAV-UHFFFAOYSA-N 0 0 358.850 5.033 10 0 FKAERN Cc1nc(C(=O)Oc2ccc(Br)cc2)c(-c2ccccc2)s1 ZINC000040326402 205066551 /nfs/dbraw/zinc/06/65/51/205066551.db2.gz UAGUFKFZOMQEHG-UHFFFAOYSA-N 0 0 374.259 5.100 10 0 FKAERN Cc1nc(C(=O)Oc2ccccc2Br)c(-c2ccccc2)s1 ZINC000040326419 211741529 /nfs/dbraw/zinc/74/15/29/211741529.db2.gz MKVLUROXWBXXDB-UHFFFAOYSA-N 0 0 374.259 5.100 10 0 FKAERN Cc1nc(C(=O)Oc2ccc(Cl)cc2Cl)c(-c2ccccc2)s1 ZINC000040326431 205066812 /nfs/dbraw/zinc/06/68/12/205066812.db2.gz NNDBKKBKCGZSDG-UHFFFAOYSA-N 0 0 364.253 5.645 10 0 FKAERN Cc1nc(C(=O)N(c2ccccc2)c2ccccc2)c(-c2ccccc2)s1 ZINC000040326444 205067079 /nfs/dbraw/zinc/06/70/79/205067079.db2.gz NDTIWKQUGSLGCK-UHFFFAOYSA-N 0 0 370.477 6.097 10 0 FKAERN CCCCc1ccc(NC(=O)c2nc(C)sc2-c2ccccc2)cc1 ZINC000040326476 208246791 /nfs/dbraw/zinc/24/67/91/208246791.db2.gz GUDLUWXOYMNXRZ-UHFFFAOYSA-N 0 0 350.487 5.713 10 0 FKAERN Cc1nc(C(=O)Nc2ccc(C(C)C)c(C)c2)c(-c2ccccc2)s1 ZINC000040326486 220902290 /nfs/dbraw/zinc/90/22/90/220902290.db2.gz QJPXUVBDFHFINO-UHFFFAOYSA-N 0 0 350.487 5.803 10 0 FKAERN Cc1nc(C(=O)Nc2nc3ccc(C)cc3s2)c(-c2ccccc2)s1 ZINC000040326744 220901678 /nfs/dbraw/zinc/90/16/78/220901678.db2.gz USEPHDFBTIDURX-UHFFFAOYSA-N 0 0 365.483 5.289 10 0 FKAERN Cc1nc(C(=O)Nc2ccc(C)c3ncccc23)c(-c2ccccc2)s1 ZINC000040327408 205066460 /nfs/dbraw/zinc/06/64/60/205066460.db2.gz AHRJFFPPLTWYAZ-UHFFFAOYSA-N 0 0 359.454 5.227 10 0 FKAERN Cc1nc(C(=O)Nc2ccc(F)c3ncccc23)c(-c2ccccc2)s1 ZINC000040327411 205066542 /nfs/dbraw/zinc/06/65/42/205066542.db2.gz QBGGWWIVSWTACD-UHFFFAOYSA-N 0 0 363.417 5.058 10 0 FKAERN Cc1c(Cl)ccc2c(NC(=O)/C=C/c3ccc(Cl)cc3)ccnc12 ZINC000040359205 208249720 /nfs/dbraw/zinc/24/97/20/208249720.db2.gz IXYAXSTVIUJCRD-RUDMXATFSA-N 0 0 357.240 5.502 10 0 FKAERN Cc1c(Cl)ccc2c(NC(=O)c3ccc(C(C)(C)C)cc3)ccnc12 ZINC000040359239 208249269 /nfs/dbraw/zinc/24/92/69/208249269.db2.gz BRQFGTRNNRVBFP-UHFFFAOYSA-N 0 0 352.865 5.746 10 0 FKAERN COc1cc(C(=O)Nc2cc(C)nc3c(C)c(Cl)ccc23)ccc1C ZINC000040359552 205066426 /nfs/dbraw/zinc/06/64/26/205066426.db2.gz RRQBENHREIUIML-UHFFFAOYSA-N 0 0 354.837 5.074 10 0 FKAERN Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)c(C)c2n1 ZINC000040359560 205066708 /nfs/dbraw/zinc/06/67/08/205066708.db2.gz FTWTXISMNQEMOJ-UHFFFAOYSA-N 0 0 366.892 6.055 10 0 FKAERN Cc1ccc(C)c(OCC(=O)Nc2cc(C)nc3c(C)c(Cl)ccc23)c1 ZINC000040359610 208249675 /nfs/dbraw/zinc/24/96/75/208249675.db2.gz AKGBAEPNIFFMNS-UHFFFAOYSA-N 0 0 368.864 5.139 10 0 FKAERN Cc1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000040374707 208249142 /nfs/dbraw/zinc/24/91/42/208249142.db2.gz RKFNOTAEDKUFNC-UHFFFAOYSA-N 0 0 374.209 5.409 10 0 FKAERN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(-c2ccccc2F)o1 ZINC000040374738 208249704 /nfs/dbraw/zinc/24/97/04/208249704.db2.gz XBSYJJZSFCQNKC-UHFFFAOYSA-N 0 0 364.401 5.462 10 0 FKAERN Cc1c(Cl)cn2cc(-c3ccc(Br)cc3)nc2c1Cl ZINC000040383846 205067827 /nfs/dbraw/zinc/06/78/27/205067827.db2.gz RQHMOFRDPFVHNX-UHFFFAOYSA-N 0 0 356.050 5.379 10 0 FKAERN Cc1cc2nc(-c3ccc(Cl)cc3Cl)cn2cc1Br ZINC000040383975 212020480 /nfs/dbraw/zinc/02/04/80/212020480.db2.gz BLRYLXVOQWPMLG-UHFFFAOYSA-N 0 0 356.050 5.379 10 0 FKAERN CCc1ccccc1Nc1nc2ccccc2nc1Nc1ccccc1CC ZINC000040383989 208249494 /nfs/dbraw/zinc/24/94/94/208249494.db2.gz KLAABLNERAQZKC-UHFFFAOYSA-N 0 0 368.484 6.242 10 0 FKAERN CCOCCCn1c(COc2ccc3ccccc3c2)nc2ccccc21 ZINC000040389478 220904418 /nfs/dbraw/zinc/90/44/18/220904418.db2.gz VLIIWWYDRGLECT-UHFFFAOYSA-N 0 0 360.457 5.195 10 0 FKAERN COc1ccc(CCn2c3ccccc3nc2-c2cccs2)cc1OC ZINC000040389984 205067985 /nfs/dbraw/zinc/06/79/85/205067985.db2.gz ZWTNUJOJWOJAHD-UHFFFAOYSA-N 0 0 364.470 5.025 10 0 FKAERN COc1ccc(CCn2c3ccccc3nc2-c2ccccc2C)cc1OC ZINC000040389988 220902978 /nfs/dbraw/zinc/90/29/78/220902978.db2.gz YHWBKHGKIQPIJY-UHFFFAOYSA-N 0 0 372.468 5.272 10 0 FKAERN c1coc(Cn2c(COc3ccc4ccccc4c3)nc3ccccc32)c1 ZINC000040390266 220904169 /nfs/dbraw/zinc/90/41/69/220904169.db2.gz DRFXQHJRMLOKDM-UHFFFAOYSA-N 0 0 354.409 5.410 10 0 FKAERN Clc1ccc(SCc2nc3ccccc3n2Cc2ccco2)cc1 ZINC000040390294 208248855 /nfs/dbraw/zinc/24/88/55/208248855.db2.gz MPWIIPLUVIYCMN-UHFFFAOYSA-N 0 0 354.862 5.623 10 0 FKAERN Cc1ccc(-c2cc(CN(Cc3ccco3)C(=O)CC(C)C)no2)c(C)c1 ZINC000040392314 208251410 /nfs/dbraw/zinc/25/14/10/208251410.db2.gz HKGYRCHFYICHER-UHFFFAOYSA-N 0 0 366.461 5.126 10 0 FKAERN OCCCn1c(CSc2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000040402419 211744083 /nfs/dbraw/zinc/74/40/83/211744083.db2.gz RUFCRVTXMURNBP-UHFFFAOYSA-N 0 0 367.301 5.018 10 0 FKAERN COCCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccc(C)cc1C ZINC000040402685 211745036 /nfs/dbraw/zinc/74/50/36/211745036.db2.gz ATNGHBOUSXVHIA-UHFFFAOYSA-N 0 0 362.395 5.375 10 0 FKAERN COCCCn1c(Cc2cccc3ccccc32)nc2cc(Cl)ccc21 ZINC000040402824 208250430 /nfs/dbraw/zinc/25/04/30/208250430.db2.gz SOQVSWCADPXNGY-UHFFFAOYSA-N 0 0 364.876 5.470 10 0 FKAERN CCOCCCn1c(Cc2ccccc2)nc2cc(C(F)(F)F)ccc21 ZINC000040403097 208250259 /nfs/dbraw/zinc/25/02/59/208250259.db2.gz OLIHCXXDGZYPKM-UHFFFAOYSA-N 0 0 362.395 5.073 10 0 FKAERN CCOCCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccc(C)cc1 ZINC000040403145 220905205 /nfs/dbraw/zinc/90/52/05/220905205.db2.gz WJJMQNRYTDSGRR-UHFFFAOYSA-N 0 0 362.395 5.457 10 0 FKAERN CCOCCCn1c2ccc(C(F)(F)F)cc2nc1-c1cccc(C)c1 ZINC000040403148 220904915 /nfs/dbraw/zinc/90/49/15/220904915.db2.gz JLSYFVLEHQXQGL-UHFFFAOYSA-N 0 0 362.395 5.457 10 0 FKAERN CCOCCCn1c(Cc2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000040403275 205068831 /nfs/dbraw/zinc/06/88/31/205068831.db2.gz MXTOKLNGQSIYMG-UHFFFAOYSA-N 0 0 363.288 5.361 10 0 FKAERN CCOCCCn1c(Cc2ccc(Cl)cc2)nc2ccc(Cl)cc21 ZINC000040403278 205069296 /nfs/dbraw/zinc/06/92/96/205069296.db2.gz MEYYQIOFDSIARS-UHFFFAOYSA-N 0 0 363.288 5.361 10 0 FKAERN CCOCCCn1c(COc2cccc(C)c2)nc2cc(Cl)ccc21 ZINC000040403379 211744159 /nfs/dbraw/zinc/74/41/59/211744159.db2.gz KNJZOUMGDBVQHQ-UHFFFAOYSA-N 0 0 358.869 5.004 10 0 FKAERN CCOCCCn1c(COc2ccc(C)cc2)nc2cc(Cl)ccc21 ZINC000040403382 205068765 /nfs/dbraw/zinc/06/87/65/205068765.db2.gz ACYPDTLEPPARRN-UHFFFAOYSA-N 0 0 358.869 5.004 10 0 FKAERN COCCn1c(Cc2cccc3ccccc32)nc2ccc(Cl)cc21 ZINC000040404673 211745147 /nfs/dbraw/zinc/74/51/47/211745147.db2.gz AKNPCBQKNOCACE-UHFFFAOYSA-N 0 0 350.849 5.080 10 0 FKAERN COCCn1c(CSc2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000040404728 205068962 /nfs/dbraw/zinc/06/89/62/205068962.db2.gz PSZNLVNENYRMGS-UHFFFAOYSA-N 0 0 367.301 5.282 10 0 FKAERN COCCn1c(CSc2ccc(Cl)cc2)nc2ccc(Cl)cc21 ZINC000040404731 205069407 /nfs/dbraw/zinc/06/94/07/205069407.db2.gz FMGXUQDEFOTNFN-UHFFFAOYSA-N 0 0 367.301 5.282 10 0 FKAERN CCOCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccc(C)cc1C ZINC000040404988 220905362 /nfs/dbraw/zinc/90/53/62/220905362.db2.gz XUGWPYJUVQWBOU-UHFFFAOYSA-N 0 0 362.395 5.375 10 0 FKAERN CCOCCn1c(Cc2cccc3ccccc32)nc2cc(Cl)ccc21 ZINC000040405125 211744565 /nfs/dbraw/zinc/74/45/65/211744565.db2.gz FQCHZVUKWUKHRN-UHFFFAOYSA-N 0 0 364.876 5.470 10 0 FKAERN COc1ccc(CCn2c3ccc(Cl)cc3nc2C(C)C)cc1OC ZINC000040406892 208252081 /nfs/dbraw/zinc/25/20/81/208252081.db2.gz HOGBPSOPHHDODS-UHFFFAOYSA-N 0 0 358.869 5.073 10 0 FKAERN COc1ccc(CCn2c3cc(Cl)ccc3nc2C(C)C)cc1OC ZINC000040406895 205068782 /nfs/dbraw/zinc/06/87/82/205068782.db2.gz VHNIZKYJYZZEPH-UHFFFAOYSA-N 0 0 358.869 5.073 10 0 FKAERN COc1ccc(CCn2c3ccc(Cl)cc3nc2C(C)(C)C)cc1OC ZINC000040406934 208252957 /nfs/dbraw/zinc/25/29/57/208252957.db2.gz ZNUHBEHIIDXMBV-UHFFFAOYSA-N 0 0 372.896 5.247 10 0 FKAERN COc1ccc(CCn2c3cc(Cl)ccc3nc2C(C)(C)C)cc1OC ZINC000040406937 205069448 /nfs/dbraw/zinc/06/94/48/205069448.db2.gz IRAZNJDVVDJBEK-UHFFFAOYSA-N 0 0 372.896 5.247 10 0 FKAERN c1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3)c2s1 ZINC000040409177 220906069 /nfs/dbraw/zinc/90/60/69/220906069.db2.gz ZCGDFAQAYLXLJV-UHFFFAOYSA-N 0 0 360.467 5.712 10 0 FKAERN FC(F)(F)c1ccc2c(c1)nc(COc1ccccc1)n2Cc1ccco1 ZINC000040409591 208252943 /nfs/dbraw/zinc/25/29/43/208252943.db2.gz RZOZDAMJZQJOBJ-UHFFFAOYSA-N 0 0 372.346 5.275 10 0 FKAERN FC(F)(F)c1ccc2c(c1)nc(Cc1ccccc1)n2Cc1ccco1 ZINC000040409647 220905455 /nfs/dbraw/zinc/90/54/55/220905455.db2.gz SAUUOSACXAVGHI-UHFFFAOYSA-N 0 0 356.347 5.287 10 0 FKAERN Cc1ccccc1-c1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC000040409702 208252177 /nfs/dbraw/zinc/25/21/77/208252177.db2.gz XVZSMPLTNLOLFV-UHFFFAOYSA-N 0 0 356.347 5.672 10 0 FKAERN Cc1cccc(-c2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)c1 ZINC000040409714 205070132 /nfs/dbraw/zinc/07/01/32/205070132.db2.gz NYAMVQFKTGGFIG-UHFFFAOYSA-N 0 0 356.347 5.672 10 0 FKAERN Clc1ccc(OCc2nc3ccc(Cl)cc3n2Cc2ccco2)cc1 ZINC000040409979 211744955 /nfs/dbraw/zinc/74/49/55/211744955.db2.gz BNZTWKNEMLOOMD-UHFFFAOYSA-N 0 0 373.239 5.563 10 0 FKAERN Cc1ccc(OCc2nc3cc(Cl)ccc3n2Cc2ccco2)cc1 ZINC000040410018 208252370 /nfs/dbraw/zinc/25/23/70/208252370.db2.gz GRAVTGXTLFTIRI-UHFFFAOYSA-N 0 0 352.821 5.218 10 0 FKAERN Cc1ccc(OCc2nc3ccc(Cl)cc3n2Cc2ccco2)cc1 ZINC000040410022 208252355 /nfs/dbraw/zinc/25/23/55/208252355.db2.gz QOAUZVPJEXNFMJ-UHFFFAOYSA-N 0 0 352.821 5.218 10 0 FKAERN Cn1c2ccc(C(F)(F)F)cc2nc1CSc1ccc(Cl)cc1 ZINC000040410281 205070693 /nfs/dbraw/zinc/07/06/93/205070693.db2.gz MVCZUTHTGDEIIM-UHFFFAOYSA-N 0 0 356.800 5.538 10 0 FKAERN CCn1c(COc2cccc3ccccc32)nc2cc(C(F)(F)F)ccc21 ZINC000040417131 205070888 /nfs/dbraw/zinc/07/08/88/205070888.db2.gz JEEZWMJTUHMRIP-UHFFFAOYSA-N 0 0 370.374 5.807 10 0 FKAERN CCn1c(COc2ccc3ccccc3c2)nc2cc(C(F)(F)F)ccc21 ZINC000040417132 205070098 /nfs/dbraw/zinc/07/00/98/205070098.db2.gz PCZMOTBLPZDYGX-UHFFFAOYSA-N 0 0 370.374 5.807 10 0 FKAERN CCn1c2ccc(C(F)(F)F)cc2nc1Cc1cccc2ccccc21 ZINC000040417141 208252438 /nfs/dbraw/zinc/25/24/38/208252438.db2.gz JDGRGEVFDBGWDI-UHFFFAOYSA-N 0 0 354.375 5.819 10 0 FKAERN CCn1c2ccc(C(F)(F)F)cc2nc1CSc1ccc(Cl)cc1 ZINC000040417146 211744444 /nfs/dbraw/zinc/74/44/44/211744444.db2.gz PKPKDRRSBLOADB-UHFFFAOYSA-N 0 0 370.827 6.021 10 0 FKAERN CCn1c(COc2ccc(Cl)cc2Cl)nc2cc(Cl)ccc21 ZINC000040417225 208252260 /nfs/dbraw/zinc/25/22/60/208252260.db2.gz ANSVCWBQCXWQKM-UHFFFAOYSA-N 0 0 355.652 5.595 10 0 FKAERN CCn1c(COc2ccc(Cl)cc2Cl)nc2ccc(Cl)cc21 ZINC000040417226 208252634 /nfs/dbraw/zinc/25/26/34/208252634.db2.gz DACAHWNUQQXEOP-UHFFFAOYSA-N 0 0 355.652 5.595 10 0 FKAERN CC(C)n1c2ccc(C(F)(F)F)cc2nc1COc1ccccc1Cl ZINC000040417291 208252432 /nfs/dbraw/zinc/25/24/32/208252432.db2.gz SYHPLUDQSQPBJP-UHFFFAOYSA-N 0 0 368.786 5.868 10 0 FKAERN CC(C)n1c2ccc(C(F)(F)F)cc2nc1Cc1cccc2ccccc21 ZINC000040417303 205070627 /nfs/dbraw/zinc/07/06/27/205070627.db2.gz DKAWTYLBEUTTDZ-UHFFFAOYSA-N 0 0 368.402 6.380 10 0 FKAERN CC(C)n1c2ccc(C(F)(F)F)cc2nc1Cc1ccc(Cl)cc1 ZINC000040417309 205070919 /nfs/dbraw/zinc/07/09/19/205070919.db2.gz KMKOOCYKVAQVLE-UHFFFAOYSA-N 0 0 352.787 5.880 10 0 FKAERN CC(C)n1c(COc2ccc(Cl)cc2Cl)nc2cc(Cl)ccc21 ZINC000040417389 205070426 /nfs/dbraw/zinc/07/04/26/205070426.db2.gz CDNKTUYSIYEXOM-UHFFFAOYSA-N 0 0 369.679 6.156 10 0 FKAERN CC(C)n1c(COc2ccc(Cl)cc2Cl)nc2ccc(Cl)cc21 ZINC000040417390 205070565 /nfs/dbraw/zinc/07/05/65/205070565.db2.gz INLJEZSYJDURHL-UHFFFAOYSA-N 0 0 369.679 6.156 10 0 FKAERN CC(C)n1c(COc2ccc3ccccc3c2)nc2ccc(Cl)cc21 ZINC000040417403 208252671 /nfs/dbraw/zinc/25/26/71/208252671.db2.gz ZDODUQQMWHXNBO-UHFFFAOYSA-N 0 0 350.849 6.003 10 0 FKAERN CCCn1c2ccc(C(F)(F)F)cc2nc1Cc1ccc(Cl)cc1 ZINC000040417469 205070137 /nfs/dbraw/zinc/07/01/37/205070137.db2.gz LNVGNYOWYXCNSP-UHFFFAOYSA-N 0 0 352.787 5.709 10 0 FKAERN CCCn1c(CSc2ccc(Cl)cc2)nc2ccc(Cl)cc21 ZINC000040417545 208252391 /nfs/dbraw/zinc/25/23/91/208252391.db2.gz PJQDYKWLPIKCBI-UHFFFAOYSA-N 0 0 351.302 6.045 10 0 FKAERN CCCn1c(COc2ccc(Cl)cc2Cl)nc2ccc(Cl)cc21 ZINC000040417549 205070732 /nfs/dbraw/zinc/07/07/32/205070732.db2.gz IUCDRBRMRQSDOD-UHFFFAOYSA-N 0 0 369.679 5.986 10 0 FKAERN CCCn1c(COc2cccc3ccccc32)nc2cc(Cl)ccc21 ZINC000040417564 211744006 /nfs/dbraw/zinc/74/40/06/211744006.db2.gz VDHVNARMZJBJIW-UHFFFAOYSA-N 0 0 350.849 5.832 10 0 FKAERN Cc1ccccc1OCc1nc2cc(C(F)(F)F)ccc2n1CC(C)C ZINC000040417605 208252678 /nfs/dbraw/zinc/25/26/78/208252678.db2.gz MQTZNFVUWLWZNN-UHFFFAOYSA-N 0 0 362.395 5.599 10 0 FKAERN CC(C)Cn1c2ccc(C(F)(F)F)cc2nc1Cc1ccc(Cl)cc1 ZINC000040417626 208252502 /nfs/dbraw/zinc/25/25/02/208252502.db2.gz CDCQXMPWSCDSKW-UHFFFAOYSA-N 0 0 366.814 5.955 10 0 FKAERN CC(C)Cn1c(CSc2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000040417702 205070114 /nfs/dbraw/zinc/07/01/14/205070114.db2.gz CMCXQSLKJVWCMR-UHFFFAOYSA-N 0 0 365.329 6.291 10 0 FKAERN CC(C)Cn1c(COc2ccc3ccccc3c2)nc2ccc(Cl)cc21 ZINC000040417720 208252887 /nfs/dbraw/zinc/25/28/87/208252887.db2.gz UZOWURWEMYIGTF-UHFFFAOYSA-N 0 0 364.876 6.078 10 0 FKAERN CC(C)Cn1c(COc2ccc3ccccc3c2)nc2cc(Cl)ccc21 ZINC000040417721 211744154 /nfs/dbraw/zinc/74/41/54/211744154.db2.gz FMJVAEGMXVJXPL-UHFFFAOYSA-N 0 0 364.876 6.078 10 0 FKAERN CC(C)Cn1c(COc2cccc3ccccc32)nc2ccc(Cl)cc21 ZINC000040417723 205069895 /nfs/dbraw/zinc/06/98/95/205069895.db2.gz YIHCSDAMZZBSHW-UHFFFAOYSA-N 0 0 364.876 6.078 10 0 FKAERN FC(F)(F)c1ccc2c(c1)nc(Cc1ccccc1)n2Cc1ccccc1 ZINC000040417781 208252802 /nfs/dbraw/zinc/25/28/02/208252802.db2.gz AUNXBVVRAQUOHQ-UHFFFAOYSA-N 0 0 366.386 5.694 10 0 FKAERN Cc1ccccc1-c1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000040417794 220906617 /nfs/dbraw/zinc/90/66/17/220906617.db2.gz LDWUUAUMPOSNSE-UHFFFAOYSA-N 0 0 366.386 6.079 10 0 FKAERN Cc1cccc(-c2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c1 ZINC000040417797 205070676 /nfs/dbraw/zinc/07/06/76/205070676.db2.gz GGJMBVLWIUDRFW-UHFFFAOYSA-N 0 0 366.386 6.079 10 0 FKAERN Cc1cccc(OCc2nc3cc(Cl)ccc3n2Cc2ccccc2)c1 ZINC000040417871 220906655 /nfs/dbraw/zinc/90/66/55/220906655.db2.gz OCWWPKXUGBECDD-UHFFFAOYSA-N 0 0 362.860 5.625 10 0 FKAERN Cc1ccc(OCc2nc3cc(Cl)ccc3n2Cc2ccccc2)cc1 ZINC000040417872 220907347 /nfs/dbraw/zinc/90/73/47/220907347.db2.gz OQSZRRKZDKSGDX-UHFFFAOYSA-N 0 0 362.860 5.625 10 0 FKAERN Cc1ccc(OCc2nc3ccc(Cl)cc3n2Cc2ccccc2)cc1 ZINC000040417873 205070038 /nfs/dbraw/zinc/07/00/38/205070038.db2.gz XIYYCFGVYBAMCL-UHFFFAOYSA-N 0 0 362.860 5.625 10 0 FKAERN CCCCn1nc(Cc2ccc(Cl)cc2Cl)c2ccccc2c1=O ZINC000040564344 205071784 /nfs/dbraw/zinc/07/17/84/205071784.db2.gz VGVPARFYAHFDHW-UHFFFAOYSA-N 0 0 361.272 5.094 10 0 FKAERN Cc1cc(Nc2ccc(Cl)cc2Cl)c2ccc(C(F)(F)F)cc2n1 ZINC000040570838 205072757 /nfs/dbraw/zinc/07/27/57/205072757.db2.gz SEUDSGQWOJVGJM-UHFFFAOYSA-N 0 0 371.189 6.612 10 0 FKAERN Cc1cc(Nc2cccc3ccccc32)c2ccc(C(F)(F)F)cc2n1 ZINC000040570847 208256004 /nfs/dbraw/zinc/25/60/04/208256004.db2.gz JFXUHPSKZODIFF-UHFFFAOYSA-N 0 0 352.359 6.459 10 0 FKAERN CCN(c1ccc(Cl)cc1)c1cc(C)nc2cc(C(F)(F)F)ccc21 ZINC000040570849 211748599 /nfs/dbraw/zinc/74/85/99/211748599.db2.gz RPCOMISHNMBXHD-UHFFFAOYSA-N 0 0 364.798 6.373 10 0 FKAERN Cc1cc(Nc2ccccc2C(F)(F)F)c2ccc(C(F)(F)F)cc2n1 ZINC000040570867 205072929 /nfs/dbraw/zinc/07/29/29/205072929.db2.gz VZEQVCLXUBHRPB-UHFFFAOYSA-N 0 0 370.296 6.324 10 0 FKAERN Cc1cc(Nc2ccc3c(c2)OCCO3)c2ccc(C(F)(F)F)cc2n1 ZINC000040570893 205072749 /nfs/dbraw/zinc/07/27/49/205072749.db2.gz OJLRIKPKZRHCSF-UHFFFAOYSA-N 0 0 360.335 5.077 10 0 FKAERN CCCCc1ccc(Nc2cc(C)nc3cc(C(F)(F)F)ccc32)cc1 ZINC000040570896 211748611 /nfs/dbraw/zinc/74/86/11/211748611.db2.gz XLZLWIQKCYLESO-UHFFFAOYSA-N 0 0 358.407 6.648 10 0 FKAERN Cc1cc(Nc2ccc(Cl)c(Cl)c2)c2ccc(C(F)(F)F)cc2n1 ZINC000040570908 208256278 /nfs/dbraw/zinc/25/62/78/208256278.db2.gz VPRGQTBLCCXNJK-UHFFFAOYSA-N 0 0 371.189 6.612 10 0 FKAERN Cc1cc(Nc2cc(Cl)ccc2Cl)c2ccc(C(F)(F)F)cc2n1 ZINC000040570910 208257030 /nfs/dbraw/zinc/25/70/30/208257030.db2.gz RWXLPJONAJTUSZ-UHFFFAOYSA-N 0 0 371.189 6.612 10 0 FKAERN CCOC(=O)c1ccccc1Nc1cc(C)nc2cc(C(F)(F)F)ccc21 ZINC000040570919 208256206 /nfs/dbraw/zinc/25/62/06/208256206.db2.gz YDQJXDKQNXHHSA-UHFFFAOYSA-N 0 0 374.362 5.482 10 0 FKAERN CCCCN(c1ccccc1)c1cc(C)nc2cc(C(F)(F)F)ccc21 ZINC000040570954 208256254 /nfs/dbraw/zinc/25/62/54/208256254.db2.gz WYPUZHSYUQODTG-UHFFFAOYSA-N 0 0 358.407 6.500 10 0 FKAERN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1N(C)c1ccccc1 ZINC000040571000 205072847 /nfs/dbraw/zinc/07/28/47/205072847.db2.gz OFZUTJZQAZLPNO-UHFFFAOYSA-N 0 0 374.362 5.198 10 0 FKAERN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(C)cc1 ZINC000040571009 205073653 /nfs/dbraw/zinc/07/36/53/205073653.db2.gz ZUCZWUMNSYLWSO-UHFFFAOYSA-N 0 0 374.362 5.482 10 0 FKAERN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1cccc(C)c1 ZINC000040571010 205073497 /nfs/dbraw/zinc/07/34/97/205073497.db2.gz NKNVEOCLPSHMKV-UHFFFAOYSA-N 0 0 374.362 5.482 10 0 FKAERN CCN(c1cccc(C)c1)c1ncnc(Oc2cccc3ccccc32)c1N ZINC000040661688 205076036 /nfs/dbraw/zinc/07/60/36/205076036.db2.gz LEKSIHDXPGFVFO-UHFFFAOYSA-N 0 0 370.456 5.471 10 0 FKAERN CCN(c1cccc(C)c1)c1ncnc(Nc2ccc(C)c(Cl)c2)c1N ZINC000040661714 205076079 /nfs/dbraw/zinc/07/60/79/205076079.db2.gz FARLTSVBCWGXGV-UHFFFAOYSA-N 0 0 367.884 5.231 10 0 FKAERN CCN(c1ccccc1)c1ncnc(Oc2cccc3ccccc32)c1N ZINC000040679381 205075890 /nfs/dbraw/zinc/07/58/90/205075890.db2.gz IESSOTZKTBMQLW-UHFFFAOYSA-N 0 0 356.429 5.162 10 0 FKAERN CCN(c1ccccc1)c1ncnc(Sc2ccc(Cl)cc2)c1N ZINC000040679466 208261242 /nfs/dbraw/zinc/26/12/42/208261242.db2.gz KCKYIHFRFAQIRN-UHFFFAOYSA-N 0 0 356.882 5.021 10 0 FKAERN CCN(c1ccccc1)c1ncnc(Nc2cccc3ccccc32)c1N ZINC000040679576 208261188 /nfs/dbraw/zinc/26/11/88/208261188.db2.gz MMSOPTTWHDCPNP-UHFFFAOYSA-N 0 0 355.445 5.114 10 0 FKAERN CCN(c1ccccc1)c1ncnc(Nc2cccc(Cl)c2Cl)c1N ZINC000040679606 205075978 /nfs/dbraw/zinc/07/59/78/205075978.db2.gz PZHXBOYIBNKWDZ-UHFFFAOYSA-N 0 0 374.275 5.267 10 0 FKAERN CCN(c1ccccc1)c1ncnc(Oc2cc(C)c(Cl)c(C)c2)c1N ZINC000040679751 205075667 /nfs/dbraw/zinc/07/56/67/205075667.db2.gz XGBLCLOEAVOWMN-UHFFFAOYSA-N 0 0 368.868 5.279 10 0 FKAERN CCCCc1ccc(Nc2ncnc(N(CC(C)C)CC(C)C)c2N)cc1 ZINC000040680003 211752546 /nfs/dbraw/zinc/75/25/46/211752546.db2.gz GNINEJPJEIHPED-UHFFFAOYSA-N 0 0 369.557 5.263 10 0 FKAERN Cc1cc(C)cc(Oc2ncnc(Oc3cccc4ccccc43)c2N)c1 ZINC000040681207 205076082 /nfs/dbraw/zinc/07/60/82/205076082.db2.gz ULMPHVIUXZKXID-UHFFFAOYSA-N 0 0 357.413 5.413 10 0 FKAERN Cc1cc(C)cc(Oc2ncnc(Nc3cccc(Cl)c3C)c2N)c1 ZINC000040681247 208260801 /nfs/dbraw/zinc/26/08/01/208260801.db2.gz NETLLIICIWNDKD-UHFFFAOYSA-N 0 0 354.841 5.173 10 0 FKAERN Cc1cc(C)cc(Oc2ncnc(Nc3ccccc3C(F)(F)F)c2N)c1 ZINC000040681249 205076154 /nfs/dbraw/zinc/07/61/54/205076154.db2.gz FPFMFLVXMMLDPO-UHFFFAOYSA-N 0 0 374.366 5.230 10 0 FKAERN Cc1cc(C)cc(Oc2ncnc(Nc3ccc(Cl)cc3C)c2N)c1 ZINC000040681257 211753804 /nfs/dbraw/zinc/75/38/04/211753804.db2.gz OVBCIEZXIFTCSY-UHFFFAOYSA-N 0 0 354.841 5.173 10 0 FKAERN Cc1cc(C)cc(Oc2ncnc(Nc3ccc(C)c(Cl)c3)c2N)c1 ZINC000040681259 208260733 /nfs/dbraw/zinc/26/07/33/208260733.db2.gz DVGHBXNAKQUWQW-UHFFFAOYSA-N 0 0 354.841 5.173 10 0 FKAERN Cc1cc(C)cc(Oc2ncnc(Oc3cccc4ccc(C)nc43)c2N)c1 ZINC000040681358 205075962 /nfs/dbraw/zinc/07/59/62/205075962.db2.gz CLXLFZFDJFYXPL-UHFFFAOYSA-N 0 0 372.428 5.117 10 0 FKAERN Cc1cc(C)cc(Oc2ncnc(Nc3cccc4ccc(C)nc43)c2N)c1 ZINC000040681398 205075445 /nfs/dbraw/zinc/07/54/45/205075445.db2.gz PCQRAMRZVJCCGL-UHFFFAOYSA-N 0 0 371.444 5.068 10 0 FKAERN Cc1cc(C)cc(Oc2ncnc(Nc3cccc4ccccc43)c2N)c1 ZINC000040681400 205075573 /nfs/dbraw/zinc/07/55/73/205075573.db2.gz NRDTZCHEMTZDRN-UHFFFAOYSA-N 0 0 356.429 5.365 10 0 FKAERN Cc1cc(C)cc(Oc2ncnc(Nc3cccc(C(F)(F)F)c3)c2N)c1 ZINC000040681458 208261463 /nfs/dbraw/zinc/26/14/63/208261463.db2.gz PZXLOZYOZBIIGK-UHFFFAOYSA-N 0 0 374.366 5.230 10 0 FKAERN Cc1cc(C)cc(Oc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)c1 ZINC000040681576 205075748 /nfs/dbraw/zinc/07/57/48/205075748.db2.gz SFKNVRYVKVVWIE-UHFFFAOYSA-N 0 0 369.852 5.530 10 0 FKAERN Cc1cc(C)cc(Nc2ncnc(Oc3cccc4ccccc43)c2N)c1 ZINC000040681682 211752475 /nfs/dbraw/zinc/75/24/75/211752475.db2.gz CYEKURADRGWOQX-UHFFFAOYSA-N 0 0 356.429 5.365 10 0 FKAERN Cc1cc(C)cc(Nc2ncnc(Oc3ccc4ccccc4c3)c2N)c1 ZINC000040681704 211752435 /nfs/dbraw/zinc/75/24/35/211752435.db2.gz HRAIFFRGZHHDBZ-UHFFFAOYSA-N 0 0 356.429 5.365 10 0 FKAERN Cc1cc(C)cc(Nc2ncnc(Sc3ccc(Cl)cc3)c2N)c1 ZINC000040681785 205075550 /nfs/dbraw/zinc/07/55/50/205075550.db2.gz UHOHMROBOOVJPU-UHFFFAOYSA-N 0 0 356.882 5.224 10 0 FKAERN Cc1cc(C)cc(Nc2ncnc(Nc3cccc4ccc(C)nc43)c2N)c1 ZINC000040681929 208260923 /nfs/dbraw/zinc/26/09/23/208260923.db2.gz MAXVQGZIRBCIRA-UHFFFAOYSA-N 0 0 370.460 5.019 10 0 FKAERN Cc1cc(C)cc(Nc2ncnc(Nc3cccc4ccccc43)c2N)c1 ZINC000040681932 205075359 /nfs/dbraw/zinc/07/53/59/205075359.db2.gz GDXVREPOTXKUSJ-UHFFFAOYSA-N 0 0 355.445 5.316 10 0 FKAERN Cc1cc(C)cc(Nc2ncnc(Nc3cc(Cl)ccc3Cl)c2N)c1 ZINC000040681965 205075267 /nfs/dbraw/zinc/07/52/67/205075267.db2.gz ATSHIMMAGIEDOH-UHFFFAOYSA-N 0 0 374.275 5.470 10 0 FKAERN Cc1cc(C)cc(Nc2ncnc(Nc3cccc(Cl)c3Cl)c2N)c1 ZINC000040681968 211753534 /nfs/dbraw/zinc/75/35/34/211753534.db2.gz XEMUSVLVCFEDEB-UHFFFAOYSA-N 0 0 374.275 5.470 10 0 FKAERN Cc1cc(C)cc(Nc2ncnc(Nc3ccc(Cl)cc3Cl)c2N)c1 ZINC000040682034 208261771 /nfs/dbraw/zinc/26/17/71/208261771.db2.gz ASGRGFWSYFARGK-UHFFFAOYSA-N 0 0 374.275 5.470 10 0 FKAERN Cc1cc(C)cc(Nc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)c1 ZINC000040682159 208261237 /nfs/dbraw/zinc/26/12/37/208261237.db2.gz UQUGJJDDUDNZOB-UHFFFAOYSA-N 0 0 368.868 5.482 10 0 FKAERN Cc1cc(C)cc(Nc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2N)c1 ZINC000040682200 205076170 /nfs/dbraw/zinc/07/61/70/205076170.db2.gz SLCICAONCLURJZ-UHFFFAOYSA-N 0 0 373.382 5.182 10 0 FKAERN Cc1cc(C)cc(Nc2ncnc(Nc3cccc4nc(C)ccc43)c2N)c1 ZINC000040682281 208261349 /nfs/dbraw/zinc/26/13/49/208261349.db2.gz WYJOLGGKSCOTOM-UHFFFAOYSA-N 0 0 370.460 5.019 10 0 FKAERN COc1ccc(C)cc1Nc1ncnc(Oc2cccc3ccccc32)c1N ZINC000040682897 220914600 /nfs/dbraw/zinc/91/46/00/220914600.db2.gz OLWQREQAZYDJQJ-UHFFFAOYSA-N 0 0 372.428 5.065 10 0 FKAERN Cc1ccc(Nc2ncnc(Oc3cccc4ccccc43)c2N)cc1C ZINC000040682953 208260125 /nfs/dbraw/zinc/26/01/25/208260125.db2.gz GKVRFCDTQZQOMA-UHFFFAOYSA-N 0 0 356.429 5.365 10 0 FKAERN Cc1ccc(C)c(Nc2ncnc(Oc3cccc4ccccc43)c2N)c1 ZINC000040682965 208260422 /nfs/dbraw/zinc/26/04/22/208260422.db2.gz RXTQJWDGNMLTKV-UHFFFAOYSA-N 0 0 356.429 5.365 10 0 FKAERN Cc1ccc(Nc2ncnc(Oc3cccc4ccccc43)c2N)c(C)c1 ZINC000040683121 208261280 /nfs/dbraw/zinc/26/12/80/208261280.db2.gz SQKCGJQUGIQCES-UHFFFAOYSA-N 0 0 356.429 5.365 10 0 FKAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1Oc1cccc2ccccc21 ZINC000040683228 205075957 /nfs/dbraw/zinc/07/59/57/205075957.db2.gz GZPIYTVOGDYYKW-UHFFFAOYSA-N 0 0 362.820 5.401 10 0 FKAERN Nc1c(Nc2cc(F)ccc2F)ncnc1Oc1cccc2ccccc21 ZINC000040683422 205075660 /nfs/dbraw/zinc/07/56/60/205075660.db2.gz UTRJOGCRHWZREH-UHFFFAOYSA-N 0 0 364.355 5.026 10 0 FKAERN Nc1c(Nc2ccc(F)cc2F)ncnc1Oc1cccc2ccccc21 ZINC000040683424 208261368 /nfs/dbraw/zinc/26/13/68/208261368.db2.gz HKDRLCJSCBEBMF-UHFFFAOYSA-N 0 0 364.355 5.026 10 0 FKAERN Nc1c(Nc2ccc(F)c(F)c2)ncnc1Oc1cccc2ccccc21 ZINC000040683426 220914390 /nfs/dbraw/zinc/91/43/90/220914390.db2.gz CFUKALABYGEKMM-UHFFFAOYSA-N 0 0 364.355 5.026 10 0 FKAERN COc1ccc(C)cc1Nc1ncnc(Nc2cccc3ccccc32)c1N ZINC000040684280 208261886 /nfs/dbraw/zinc/26/18/86/208261886.db2.gz KBRHPEMOWBZVNN-UHFFFAOYSA-N 0 0 371.444 5.016 10 0 FKAERN Cc1ccc(C)c(Nc2ncnc(Oc3ccc4ccccc4c3)c2N)c1 ZINC000040687723 208263448 /nfs/dbraw/zinc/26/34/48/208263448.db2.gz NTXJSIWASHBOHS-UHFFFAOYSA-N 0 0 356.429 5.365 10 0 FKAERN CC(C)c1ccc(Oc2ncnc(Oc3ccc4ccccc4c3)c2N)cc1 ZINC000040687749 205075395 /nfs/dbraw/zinc/07/53/95/205075395.db2.gz UCPLZVHHTINBDW-UHFFFAOYSA-N 0 0 371.440 5.920 10 0 FKAERN Cc1ccc(Nc2ncnc(Oc3ccc4ccccc4c3)c2N)c(C)c1 ZINC000040687781 208264320 /nfs/dbraw/zinc/26/43/20/208264320.db2.gz QOTIXIXQPBVPPZ-UHFFFAOYSA-N 0 0 356.429 5.365 10 0 FKAERN Nc1c(Oc2ccc3ccccc3c2)ncnc1N1CCCc2ccccc21 ZINC000040687812 136119902 /nfs/dbraw/zinc/11/99/02/136119902.db2.gz AGPWXVXKTQAJIV-UHFFFAOYSA-N 0 0 368.440 5.089 10 0 FKAERN Nc1c(Nc2ccccc2Cl)ncnc1Oc1ccc2ccccc2c1 ZINC000040687817 205075628 /nfs/dbraw/zinc/07/56/28/205075628.db2.gz UXYUNJZVBUSRFL-UHFFFAOYSA-N 0 0 362.820 5.401 10 0 FKAERN Nc1c(Nc2cccc(Cl)c2)ncnc1Oc1ccc2ccccc2c1 ZINC000040687821 208263228 /nfs/dbraw/zinc/26/32/28/208263228.db2.gz XPWABSJTXLWKPJ-UHFFFAOYSA-N 0 0 362.820 5.401 10 0 FKAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1Oc1ccc2ccccc2c1 ZINC000040687824 205075287 /nfs/dbraw/zinc/07/52/87/205075287.db2.gz NWDPEFIEMQHMCS-UHFFFAOYSA-N 0 0 362.820 5.401 10 0 FKAERN Cc1ccc(Sc2ncnc(Oc3ccc4ccccc4c3)c2N)cc1 ZINC000040687836 208263853 /nfs/dbraw/zinc/26/38/53/208263853.db2.gz NQBIBPMWORNFGD-UHFFFAOYSA-N 0 0 359.454 5.464 10 0 FKAERN Nc1c(Nc2cc(F)ccc2F)ncnc1Oc1ccc2ccccc2c1 ZINC000040687897 208263038 /nfs/dbraw/zinc/26/30/38/208263038.db2.gz CYUCDJWKCWLKLS-UHFFFAOYSA-N 0 0 364.355 5.026 10 0 FKAERN Nc1c(Nc2ccc(F)cc2F)ncnc1Oc1ccc2ccccc2c1 ZINC000040687898 208264100 /nfs/dbraw/zinc/26/41/00/208264100.db2.gz SWQRLZCSZIXMHF-UHFFFAOYSA-N 0 0 364.355 5.026 10 0 FKAERN CCc1ccccc1Nc1ncnc(Nc2cccc(Cl)c2Cl)c1N ZINC000040688257 205075721 /nfs/dbraw/zinc/07/57/21/205075721.db2.gz ALUICMSPDHOUCL-UHFFFAOYSA-N 0 0 374.275 5.415 10 0 FKAERN CCc1ccccc1Nc1ncnc(Nc2ccc(Cl)cc2Cl)c1N ZINC000040688284 220915638 /nfs/dbraw/zinc/91/56/38/220915638.db2.gz UDQWGVWFZYXWPT-UHFFFAOYSA-N 0 0 374.275 5.415 10 0 FKAERN CCc1ccc(Nc2ncnc(Nc3cc(Cl)ccc3Cl)c2N)cc1 ZINC000040688479 208264343 /nfs/dbraw/zinc/26/43/43/208264343.db2.gz NSGCEQGAKWPBLW-UHFFFAOYSA-N 0 0 374.275 5.415 10 0 FKAERN CCc1ccc(Nc2ncnc(Nc3cccc(Cl)c3Cl)c2N)cc1 ZINC000040688480 205075506 /nfs/dbraw/zinc/07/55/06/205075506.db2.gz ZWXQNAAKBPLQDX-UHFFFAOYSA-N 0 0 374.275 5.415 10 0 FKAERN CCc1ccc(Nc2ncnc(Nc3ccc(Cl)cc3Cl)c2N)cc1 ZINC000040688507 211752538 /nfs/dbraw/zinc/75/25/38/211752538.db2.gz VTZVKTQSFNOVTD-UHFFFAOYSA-N 0 0 374.275 5.415 10 0 FKAERN CCc1ccc(Nc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)cc1 ZINC000040688553 205077830 /nfs/dbraw/zinc/07/78/30/205077830.db2.gz DIDZJLLLVGYHCV-UHFFFAOYSA-N 0 0 368.868 5.427 10 0 FKAERN Cc1ccc(C)c(Nc2ncnc(Nc3cc(Cl)cc(Cl)c3)c2N)c1 ZINC000040700848 205077459 /nfs/dbraw/zinc/07/74/59/205077459.db2.gz ZHOQXIZIKCONTH-UHFFFAOYSA-N 0 0 374.275 5.470 10 0 FKAERN Cc1cccc(Nc2ncnc(Nc3cc(Cl)cc(Cl)c3)c2N)c1C ZINC000040700939 211753590 /nfs/dbraw/zinc/75/35/90/211753590.db2.gz ZBXDFZBUFWIVAJ-UHFFFAOYSA-N 0 0 374.275 5.470 10 0 FKAERN Cc1cccc(Nc2ncnc(Nc3cc(Cl)cc(Cl)c3)c2N)c1 ZINC000040701012 208263370 /nfs/dbraw/zinc/26/33/70/208263370.db2.gz ITNBFLUABBKYFI-UHFFFAOYSA-N 0 0 360.248 5.161 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3cc(Cl)cc(Cl)c3)c2N)cc1 ZINC000040701018 205077129 /nfs/dbraw/zinc/07/71/29/205077129.db2.gz NDVYNQHEQAZENJ-UHFFFAOYSA-N 0 0 360.248 5.161 10 0 FKAERN Nc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1NC1CCCCCC1 ZINC000040701162 205077209 /nfs/dbraw/zinc/07/72/09/205077209.db2.gz BMXPQINLANVXKD-UHFFFAOYSA-N 0 0 366.296 5.244 10 0 FKAERN Cc1c(Cl)cccc1Nc1ncnc(Nc2cccc(Cl)c2C)c1N ZINC000040701471 205077660 /nfs/dbraw/zinc/07/76/60/205077660.db2.gz RRJHDFGCQNWZQF-UHFFFAOYSA-N 0 0 374.275 5.470 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3cccc(Cl)c3C)c2N)cc1Cl ZINC000040701477 211752857 /nfs/dbraw/zinc/75/28/57/211752857.db2.gz MPHRURKFGXPCKI-UHFFFAOYSA-N 0 0 374.275 5.470 10 0 FKAERN Cc1ccc(C)c(Nc2ncnc(Nc3cccc(Cl)c3C)c2N)c1 ZINC000040701479 208262797 /nfs/dbraw/zinc/26/27/97/208262797.db2.gz OHVVYJNIKRTCES-UHFFFAOYSA-N 0 0 353.857 5.125 10 0 FKAERN Cc1ccc(Cl)cc1Nc1ncnc(Nc2cccc(Cl)c2C)c1N ZINC000040701480 205077279 /nfs/dbraw/zinc/07/72/79/205077279.db2.gz PQVMEPZUZQFPRA-UHFFFAOYSA-N 0 0 374.275 5.470 10 0 FKAERN Cc1cccc(Nc2ncnc(Nc3cccc(Cl)c3C)c2N)c1C ZINC000040701535 205076687 /nfs/dbraw/zinc/07/66/87/205076687.db2.gz YQMHYCDUTBXIOJ-UHFFFAOYSA-N 0 0 353.857 5.125 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3cccc(Cl)c3C)c2N)c(C)c1 ZINC000040701536 205077958 /nfs/dbraw/zinc/07/79/58/205077958.db2.gz SLHQLXMJVVELFO-UHFFFAOYSA-N 0 0 353.857 5.125 10 0 FKAERN Cc1c(Cl)cccc1Nc1ncnc(Nc2cccc(Cl)c2)c1N ZINC000040701576 205077729 /nfs/dbraw/zinc/07/77/29/205077729.db2.gz UFTCKMOWBDDCBX-UHFFFAOYSA-N 0 0 360.248 5.161 10 0 FKAERN Cc1c(Cl)cccc1Nc1ncnc(Nc2ccc(Cl)cc2)c1N ZINC000040701579 205077842 /nfs/dbraw/zinc/07/78/42/205077842.db2.gz QMKMHYGPAQSQEB-UHFFFAOYSA-N 0 0 360.248 5.161 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3ccccc3C(F)(F)F)c2N)cc1C ZINC000040701691 205076697 /nfs/dbraw/zinc/07/66/97/205076697.db2.gz HSVMLYAXNNUKAZ-UHFFFAOYSA-N 0 0 373.382 5.182 10 0 FKAERN CCc1ccc(Oc2ncnc(Nc3ccccc3C(F)(F)F)c2N)cc1 ZINC000040701887 208262424 /nfs/dbraw/zinc/26/24/24/208262424.db2.gz RTYBFEDAFKCBEP-UHFFFAOYSA-N 0 0 374.366 5.176 10 0 FKAERN Cc1ccc(Oc2ncnc(Nc3ccccc3C(F)(F)F)c2N)cc1C ZINC000040701890 205077356 /nfs/dbraw/zinc/07/73/56/205077356.db2.gz BOUBWOOKCRFTQT-UHFFFAOYSA-N 0 0 374.366 5.230 10 0 FKAERN CCN(c1cccc2ccccc21)c1ncnc(N(C)c2ccccc2)c1N ZINC000040701976 205077897 /nfs/dbraw/zinc/07/78/97/205077897.db2.gz JVVHLRHPMYEWET-UHFFFAOYSA-N 0 0 369.472 5.138 10 0 FKAERN CCN(c1cccc2ccccc21)c1ncnc(Nc2ccc(C)cc2)c1N ZINC000040702010 205077612 /nfs/dbraw/zinc/07/76/12/205077612.db2.gz GGBCCHGWKURKSI-UHFFFAOYSA-N 0 0 369.472 5.422 10 0 FKAERN CCN(c1cccc2ccccc21)c1ncnc(Oc2ccccc2)c1N ZINC000040702095 220915452 /nfs/dbraw/zinc/91/54/52/220915452.db2.gz NARBLEXBFYRPNN-UHFFFAOYSA-N 0 0 356.429 5.162 10 0 FKAERN CCN(c1cccc2ccccc21)c1ncnc(Oc2ccc(C)cc2)c1N ZINC000040702097 208262862 /nfs/dbraw/zinc/26/28/62/208262862.db2.gz HLBGZFJTPHUIPH-UHFFFAOYSA-N 0 0 370.456 5.471 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3ccc(Cl)cc3C)c2N)cc1C ZINC000040702661 205076829 /nfs/dbraw/zinc/07/68/29/205076829.db2.gz MPUHYQPKXSYBAR-UHFFFAOYSA-N 0 0 353.857 5.125 10 0 FKAERN Cc1ccc2cccc(Oc3ncnc(Nc4ccc(C)c(C)c4)c3N)c2n1 ZINC000040702767 211753413 /nfs/dbraw/zinc/75/34/13/211753413.db2.gz JMUOEBYNUWHXMT-UHFFFAOYSA-N 0 0 371.444 5.068 10 0 FKAERN Cc1ccc2cccc(Nc3ncnc(Nc4ccc(C)c(C)c4)c3N)c2n1 ZINC000040702810 208262512 /nfs/dbraw/zinc/26/25/12/208262512.db2.gz XZEXUFRYZFAJBM-UHFFFAOYSA-N 0 0 370.460 5.019 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3cccc4ccccc43)c2N)cc1C ZINC000040702812 205077938 /nfs/dbraw/zinc/07/79/38/205077938.db2.gz ZBFVWAJUJCDEGF-UHFFFAOYSA-N 0 0 355.445 5.316 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3cccc(Cl)c3Cl)c2N)cc1C ZINC000040702843 205077360 /nfs/dbraw/zinc/07/73/60/205077360.db2.gz HJTBELYMHWDJLV-UHFFFAOYSA-N 0 0 374.275 5.470 10 0 FKAERN Cc1ccc(Nc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)cc1C ZINC000040702994 205077734 /nfs/dbraw/zinc/07/77/34/205077734.db2.gz UFNGAUHGFKHZSU-UHFFFAOYSA-N 0 0 368.868 5.482 10 0 FKAERN Cc1ccc(Nc2ncnc(Oc3ccc(Cl)c(C)c3)c2N)cc1C ZINC000040702996 205076705 /nfs/dbraw/zinc/07/67/05/205076705.db2.gz QNYFOSCJTCOTHB-UHFFFAOYSA-N 0 0 354.841 5.173 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2N)cc1C ZINC000040703021 205077518 /nfs/dbraw/zinc/07/75/18/205077518.db2.gz XRWFZLDKUCNFOH-UHFFFAOYSA-N 0 0 373.382 5.182 10 0 FKAERN Cc1ccc(C)c(Nc2ncnc(Nc3ccc(Cl)cc3C)c2N)c1 ZINC000040703105 205077681 /nfs/dbraw/zinc/07/76/81/205077681.db2.gz DXVMXPYXFVNAOQ-UHFFFAOYSA-N 0 0 353.857 5.125 10 0 FKAERN Cc1ccc(Cl)cc1Nc1ncnc(Nc2ccc(Cl)cc2C)c1N ZINC000040703107 211753457 /nfs/dbraw/zinc/75/34/57/211753457.db2.gz UTRKHUDPJGXLLS-UHFFFAOYSA-N 0 0 374.275 5.470 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3ccc(Cl)cc3C)c2N)c(C)c1 ZINC000040703217 208264078 /nfs/dbraw/zinc/26/40/78/208264078.db2.gz PDWAHTFNBYQTMS-UHFFFAOYSA-N 0 0 353.857 5.125 10 0 FKAERN Cc1cc(Cl)ccc1Nc1ncnc(Nc2ccccc2Cl)c1N ZINC000040703286 205077048 /nfs/dbraw/zinc/07/70/48/205077048.db2.gz RTSLGJCPBBWFNJ-UHFFFAOYSA-N 0 0 360.248 5.161 10 0 FKAERN Cc1cc(Cl)ccc1Nc1ncnc(Nc2cccc(Cl)c2)c1N ZINC000040703294 208263431 /nfs/dbraw/zinc/26/34/31/208263431.db2.gz LEWVKOZEBVDEAP-UHFFFAOYSA-N 0 0 360.248 5.161 10 0 FKAERN Cc1ccc(Oc2ncnc(Nc3ccc(Cl)cc3C)c2N)cc1C ZINC000040703490 205077821 /nfs/dbraw/zinc/07/78/21/205077821.db2.gz NFTYUNPQZPIYEC-UHFFFAOYSA-N 0 0 354.841 5.173 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3ccc(C)c(Cl)c3)c2N)cc1Cl ZINC000040703518 220915745 /nfs/dbraw/zinc/91/57/45/220915745.db2.gz HGZITWSBFXGMOA-UHFFFAOYSA-N 0 0 374.275 5.470 10 0 FKAERN Cc1cccc(Nc2ncnc(Nc3ccc(C)c(Cl)c3)c2N)c1C ZINC000040703636 208262956 /nfs/dbraw/zinc/26/29/56/208262956.db2.gz QJUHSCUFHBJQQX-UHFFFAOYSA-N 0 0 353.857 5.125 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3ccc(C)c(Cl)c3)c2N)c(C)c1 ZINC000040703638 208264163 /nfs/dbraw/zinc/26/41/63/208264163.db2.gz QBAVXXMKIPCWCW-UHFFFAOYSA-N 0 0 353.857 5.125 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3ccccc3Cl)c2N)cc1Cl ZINC000040703711 205077453 /nfs/dbraw/zinc/07/74/53/205077453.db2.gz PPGFZWFQXICXBQ-UHFFFAOYSA-N 0 0 360.248 5.161 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3cccc(Cl)c3)c2N)cc1Cl ZINC000040703717 211752579 /nfs/dbraw/zinc/75/25/79/211752579.db2.gz POIIJRMTRLCNGO-UHFFFAOYSA-N 0 0 360.248 5.161 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)cc1Cl ZINC000040703723 208263384 /nfs/dbraw/zinc/26/33/84/208263384.db2.gz JGBCFEKKXFVSFW-UHFFFAOYSA-N 0 0 360.248 5.161 10 0 FKAERN Cc1ccc(Oc2ncnc(Nc3ccc(C)c(Cl)c3)c2N)cc1C ZINC000040703904 211753525 /nfs/dbraw/zinc/75/35/25/211753525.db2.gz VQELRHAXVJAKJI-UHFFFAOYSA-N 0 0 354.841 5.173 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2N)c(C)c1 ZINC000040704051 205077542 /nfs/dbraw/zinc/07/75/42/205077542.db2.gz PATOZOZDMGVGLF-UHFFFAOYSA-N 0 0 374.275 5.470 10 0 FKAERN Cc1ccccc1Nc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1N ZINC000040704119 220916378 /nfs/dbraw/zinc/91/63/78/220916378.db2.gz FAOCEFDVFBFQMS-UHFFFAOYSA-N 0 0 360.248 5.161 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2N)cc1 ZINC000040704133 205077578 /nfs/dbraw/zinc/07/75/78/205077578.db2.gz ATSUXSGZHBYDGP-UHFFFAOYSA-N 0 0 360.248 5.161 10 0 FKAERN Nc1c(Nc2ccc(Cl)c(Cl)c2)ncnc1Sc1ccccc1 ZINC000040704155 208262842 /nfs/dbraw/zinc/26/28/42/208262842.db2.gz ILXWVMQOUZLFKD-UHFFFAOYSA-N 0 0 363.273 5.260 10 0 FKAERN Cc1ccc(Oc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2N)cc1 ZINC000040704227 205076888 /nfs/dbraw/zinc/07/68/88/205076888.db2.gz QYRFHXGGDJWXNW-UHFFFAOYSA-N 0 0 361.232 5.210 10 0 FKAERN Nc1c(Nc2ccc(Cl)c(Cl)c2)ncnc1NC1CCCCCC1 ZINC000040704296 208264406 /nfs/dbraw/zinc/26/44/06/208264406.db2.gz GBUKFPDYVOGTHY-UHFFFAOYSA-N 0 0 366.296 5.244 10 0 FKAERN Cc1ccc(C)c(Nc2ncnc(Nc3cc(Cl)ccc3C)c2N)c1 ZINC000040704353 208263687 /nfs/dbraw/zinc/26/36/87/208263687.db2.gz VYJDMLSOJJZLPT-UHFFFAOYSA-N 0 0 353.857 5.125 10 0 FKAERN Cc1ccc(C)c(Nc2ncnc(Oc3cccc4ccc(C)nc43)c2N)c1 ZINC000040704448 205077633 /nfs/dbraw/zinc/07/76/33/205077633.db2.gz VSNVGFDPCYLMLF-UHFFFAOYSA-N 0 0 371.444 5.068 10 0 FKAERN Cc1ccc(C)c(Nc2ncnc(Nc3cccc4ccc(C)nc43)c2N)c1 ZINC000040704488 208262557 /nfs/dbraw/zinc/26/25/57/208262557.db2.gz IQFZLVYOGMIIRX-UHFFFAOYSA-N 0 0 370.460 5.019 10 0 FKAERN Cc1ccc(C)c(Nc2ncnc(Nc3cc(Cl)ccc3Cl)c2N)c1 ZINC000040704518 205076930 /nfs/dbraw/zinc/07/69/30/205076930.db2.gz QJQBJFNWRUZMCO-UHFFFAOYSA-N 0 0 374.275 5.470 10 0 FKAERN Cc1ccc(C)c(Nc2ncnc(Nc3cccc(Cl)c3Cl)c2N)c1 ZINC000040704520 208263722 /nfs/dbraw/zinc/26/37/22/208263722.db2.gz KJEPUVCSIQMHCV-UHFFFAOYSA-N 0 0 374.275 5.470 10 0 FKAERN Cc1ccc(C)c(Nc2ncnc(Nc3ccc(Cl)cc3Cl)c2N)c1 ZINC000040704574 208264350 /nfs/dbraw/zinc/26/43/50/208264350.db2.gz DBKOHPJBCOSQPA-UHFFFAOYSA-N 0 0 374.275 5.470 10 0 FKAERN Cc1ccc(C)c(Nc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)c1 ZINC000040704664 208263762 /nfs/dbraw/zinc/26/37/62/208263762.db2.gz YIMOWBOTVCZESW-UHFFFAOYSA-N 0 0 368.868 5.482 10 0 FKAERN Cc1ccc(C)c(Nc2ncnc(Oc3ccc(Cl)c(C)c3)c2N)c1 ZINC000040704666 205076946 /nfs/dbraw/zinc/07/69/46/205076946.db2.gz FMTRJIAAWBKJBS-UHFFFAOYSA-N 0 0 354.841 5.173 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3cc(Cl)ccc3C)c2N)c(C)c1 ZINC000040704868 205077915 /nfs/dbraw/zinc/07/79/15/205077915.db2.gz MCAQYWJSFIYTOW-UHFFFAOYSA-N 0 0 353.857 5.125 10 0 FKAERN Cc1ccc(Cl)cc1Nc1ncnc(Nc2cccc(Cl)c2)c1N ZINC000040704933 211753503 /nfs/dbraw/zinc/75/35/03/211753503.db2.gz FIWTUNDQCHGOBK-UHFFFAOYSA-N 0 0 360.248 5.161 10 0 FKAERN Cc1ccc(Cl)cc1Nc1ncnc(Nc2ccc(Cl)cc2)c1N ZINC000040704937 211753132 /nfs/dbraw/zinc/75/31/32/211753132.db2.gz CJDLPLQRKBBCHT-UHFFFAOYSA-N 0 0 360.248 5.161 10 0 FKAERN CC(C)CN(CC(C)C)c1ncnc(Nc2ccc(C(C)C)cc2)c1N ZINC000040706042 208264271 /nfs/dbraw/zinc/26/42/71/208264271.db2.gz OCYCSMNAPDMJGP-UHFFFAOYSA-N 0 0 355.530 5.044 10 0 FKAERN CC(C)c1ccc(Nc2ncnc(N3CCCc4ccccc43)c2N)cc1 ZINC000040706137 535372993 /nfs/dbraw/zinc/37/29/93/535372993.db2.gz NLIQRQZMUMLTSL-UHFFFAOYSA-N 0 0 359.477 5.010 10 0 FKAERN CC(C)c1ccc(Nc2ncnc(Nc3ccccc3Cl)c2N)cc1 ZINC000040706147 208264082 /nfs/dbraw/zinc/26/40/82/208264082.db2.gz MXQGQOOWLDAKLU-UHFFFAOYSA-N 0 0 353.857 5.323 10 0 FKAERN CC(C)c1ccc(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)cc1 ZINC000040706161 208263692 /nfs/dbraw/zinc/26/36/92/208263692.db2.gz HCSHHGJSJNMIMA-UHFFFAOYSA-N 0 0 353.857 5.323 10 0 FKAERN CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@H]21 ZINC000040719165 208262720 /nfs/dbraw/zinc/26/27/20/208262720.db2.gz XAUNJOUEWQWLCP-JYAXBFRTSA-N 0 0 370.577 7.323 10 0 in-vitro FKAERN Cc1cccc(Nc2ncnc(Sc3ccc(Cl)cc3)c2N)c1C ZINC000040722994 205078707 /nfs/dbraw/zinc/07/87/07/205078707.db2.gz RRFFRCICPBEXCQ-UHFFFAOYSA-N 0 0 356.882 5.224 10 0 FKAERN Nc1c(Nc2ccccc2Cl)ncnc1Sc1ccc(Cl)cc1 ZINC000040723031 205079009 /nfs/dbraw/zinc/07/90/09/205079009.db2.gz HJWPGRZKEBTQTI-UHFFFAOYSA-N 0 0 363.273 5.260 10 0 FKAERN Cc1ccc(Sc2ncnc(Sc3ccc(Cl)cc3)c2N)cc1 ZINC000040723050 205078577 /nfs/dbraw/zinc/07/85/77/205078577.db2.gz DNCIGBMMFSUNTI-UHFFFAOYSA-N 0 0 359.907 5.323 10 0 FKAERN Cc1ccc(Oc2ncnc(Sc3ccc(Cl)cc3)c2N)cc1C ZINC000040723132 208265556 /nfs/dbraw/zinc/26/55/56/208265556.db2.gz LYFUIXNGLRIZCP-UHFFFAOYSA-N 0 0 357.866 5.273 10 0 FKAERN CC(C)c1ccc(Oc2ncnc(Oc3ccc(C(C)C)cc3)c2N)cc1 ZINC000040727260 211754445 /nfs/dbraw/zinc/75/44/45/211754445.db2.gz ICMYVCIIPOHNBZ-UHFFFAOYSA-N 0 0 363.461 5.890 10 0 FKAERN CC(C)c1ccc(Oc2ncnc(Nc3cccc4cccnc43)c2N)cc1 ZINC000040727341 205079153 /nfs/dbraw/zinc/07/91/53/205079153.db2.gz XKMSUOQXPVJPPP-UHFFFAOYSA-N 0 0 371.444 5.266 10 0 FKAERN CC(C)c1ccc(Oc2ncnc(N3CCCc4ccccc43)c2N)cc1 ZINC000040727383 535373392 /nfs/dbraw/zinc/37/33/92/535373392.db2.gz DTTQBTDGKNOJFR-UHFFFAOYSA-N 0 0 360.461 5.059 10 0 FKAERN CC(C)c1ccc(Oc2ncnc(Nc3ccc(Cl)cc3)c2N)cc1 ZINC000040727407 211754820 /nfs/dbraw/zinc/75/48/20/211754820.db2.gz IRNYPNYYTKRKCS-UHFFFAOYSA-N 0 0 354.841 5.372 10 0 FKAERN CC(C)CN(CC(C)C)c1ncnc(Nc2cccc3ccccc32)c1N ZINC000040735586 205078127 /nfs/dbraw/zinc/07/81/27/205078127.db2.gz HOPVSESNIQRDRC-UHFFFAOYSA-N 0 0 363.509 5.074 10 0 FKAERN Cc1ccc2cccc(Oc3ncnc(Nc4cccc(C)c4C)c3N)c2n1 ZINC000040752260 205080503 /nfs/dbraw/zinc/08/05/03/205080503.db2.gz KPBVRZBQYDOMMW-UHFFFAOYSA-N 0 0 371.444 5.068 10 0 FKAERN Cc1ccc(Nc2ncnc(Oc3cccc4ccc(C)nc43)c2N)c(C)c1 ZINC000040752261 220920482 /nfs/dbraw/zinc/92/04/82/220920482.db2.gz IEJJYNULNCRURR-UHFFFAOYSA-N 0 0 371.444 5.068 10 0 FKAERN CCc1ccc(Oc2ncnc(Oc3cccc4ccc(C)nc43)c2N)cc1 ZINC000040752395 208267333 /nfs/dbraw/zinc/26/73/33/208267333.db2.gz MXAPFYQXSXLNIE-UHFFFAOYSA-N 0 0 372.428 5.062 10 0 FKAERN Cc1ccc2cccc(Oc3ncnc(Oc4ccc(C)c(C)c4)c3N)c2n1 ZINC000040752398 205080775 /nfs/dbraw/zinc/08/07/75/205080775.db2.gz BUGVOLVKLQESEV-UHFFFAOYSA-N 0 0 372.428 5.117 10 0 FKAERN Cc1cccc(Nc2ncnc(Nc3cccc4ccccc43)c2N)c1C ZINC000040755034 205079936 /nfs/dbraw/zinc/07/99/36/205079936.db2.gz GUTVCMBIHNZUEV-UHFFFAOYSA-N 0 0 355.445 5.316 10 0 FKAERN Cc1cccc(Nc2ncnc(Nc3cc(Cl)ccc3Cl)c2N)c1C ZINC000040755059 205079925 /nfs/dbraw/zinc/07/99/25/205079925.db2.gz ZJDQNSUQNHZZHD-UHFFFAOYSA-N 0 0 374.275 5.470 10 0 FKAERN Cc1cccc(Nc2ncnc(Nc3ccc(Cl)cc3Cl)c2N)c1C ZINC000040755115 205080293 /nfs/dbraw/zinc/08/02/93/205080293.db2.gz UESUKZKQBZMUMP-UHFFFAOYSA-N 0 0 374.275 5.470 10 0 FKAERN Cc1cccc(Nc2ncnc(Oc3ccc(Cl)c(C)c3)c2N)c1C ZINC000040755210 208267340 /nfs/dbraw/zinc/26/73/40/208267340.db2.gz KJLKIUOTNQYQJX-UHFFFAOYSA-N 0 0 354.841 5.173 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3cccc4ccccc43)c2N)c(C)c1 ZINC000040755336 211759073 /nfs/dbraw/zinc/75/90/73/211759073.db2.gz UDAKNONJCGQDRW-UHFFFAOYSA-N 0 0 355.445 5.316 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3cccc(Cl)c3Cl)c2N)c(C)c1 ZINC000040755366 208267577 /nfs/dbraw/zinc/26/75/77/208267577.db2.gz YRPPQCDSORIROS-UHFFFAOYSA-N 0 0 374.275 5.470 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3cccc(C(F)(F)F)c3)c2N)c(C)c1 ZINC000040755394 211758992 /nfs/dbraw/zinc/75/89/92/211758992.db2.gz XGNGNJJKRLILLG-UHFFFAOYSA-N 0 0 373.382 5.182 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3ccc(Cl)cc3Cl)c2N)c(C)c1 ZINC000040755420 208267401 /nfs/dbraw/zinc/26/74/01/208267401.db2.gz AHTJAULKWUUWKG-UHFFFAOYSA-N 0 0 374.275 5.470 10 0 FKAERN Cc1ccc(Nc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)c(C)c1 ZINC000040755511 220919347 /nfs/dbraw/zinc/91/93/47/220919347.db2.gz JNBZIIBUPLVVIA-UHFFFAOYSA-N 0 0 368.868 5.482 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2N)c(C)c1 ZINC000040755539 220920202 /nfs/dbraw/zinc/92/02/02/220920202.db2.gz GKHBYRFKSFBKEC-UHFFFAOYSA-N 0 0 373.382 5.182 10 0 FKAERN Cc1ccc(Nc2ncnc(Nc3cccc4nc(C)ccc43)c2N)c(C)c1 ZINC000040755600 205080800 /nfs/dbraw/zinc/08/08/00/205080800.db2.gz ZYARZMLMZXNXNK-UHFFFAOYSA-N 0 0 370.460 5.019 10 0 FKAERN Cc1ccc(Sc2ncnc(Nc3cccc4ccc(C)nc43)c2N)cc1 ZINC000040758630 208267349 /nfs/dbraw/zinc/26/73/49/208267349.db2.gz CGTBSXDWLNPYGJ-UHFFFAOYSA-N 0 0 373.485 5.119 10 0 FKAERN Cc1ccc2cccc(Nc3ncnc(Oc4ccc(C)c(C)c4)c3N)c2n1 ZINC000040758794 208267627 /nfs/dbraw/zinc/26/76/27/208267627.db2.gz OSBFSBSGTMISGA-UHFFFAOYSA-N 0 0 371.444 5.068 10 0 FKAERN Nc1c(Nc2cccc3ccccc32)ncnc1N1CCCc2ccccc21 ZINC000040758861 132948695 /nfs/dbraw/zinc/94/86/95/132948695.db2.gz MVAPXANAHBHLCK-UHFFFAOYSA-N 0 0 367.456 5.040 10 0 FKAERN Nc1c(Nc2cccc(Cl)c2)ncnc1Nc1cccc2ccccc21 ZINC000040758879 208269375 /nfs/dbraw/zinc/26/93/75/208269375.db2.gz XVKVEXHDPTWKNC-UHFFFAOYSA-N 0 0 361.836 5.353 10 0 FKAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1Nc1cccc2ccccc21 ZINC000040758885 208268748 /nfs/dbraw/zinc/26/87/48/208268748.db2.gz PPKBMOWFNIXXTL-UHFFFAOYSA-N 0 0 361.836 5.353 10 0 FKAERN Cc1cc(Oc2ncnc(Nc3ccccc3F)c2N)cc(C)c1Cl ZINC000040759278 211758860 /nfs/dbraw/zinc/75/88/60/211758860.db2.gz WMNQBGLXKYFCCX-UHFFFAOYSA-N 0 0 358.804 5.004 10 0 FKAERN Cc1cccc(Nc2ncnc(Nc3cc(Cl)ccc3Cl)c2N)c1 ZINC000040778145 208268755 /nfs/dbraw/zinc/26/87/55/208268755.db2.gz DLUAMSDNVGQXSE-UHFFFAOYSA-N 0 0 360.248 5.161 10 0 FKAERN Nc1c(Nc2cc(Cl)ccc2Cl)ncnc1Sc1ccccc1 ZINC000040778187 208269158 /nfs/dbraw/zinc/26/91/58/208269158.db2.gz KAITZLBXGMHEEF-UHFFFAOYSA-N 0 0 363.273 5.260 10 0 FKAERN Cc1ccc(CNc2ncnc(Nc3cc(Cl)ccc3Cl)c2N)cc1 ZINC000040778205 208268091 /nfs/dbraw/zinc/26/80/91/208268091.db2.gz WSBCORGZMYWVNX-UHFFFAOYSA-N 0 0 374.275 5.030 10 0 FKAERN Cc1ccc(Oc2ncnc(Nc3cc(Cl)ccc3Cl)c2N)cc1 ZINC000040778301 208267140 /nfs/dbraw/zinc/26/71/40/208267140.db2.gz SGNLVNRVIJEFSY-UHFFFAOYSA-N 0 0 361.232 5.210 10 0 FKAERN Cc1ccccc1Nc1ncnc(Nc2cccc(Cl)c2Cl)c1N ZINC000040778530 208268304 /nfs/dbraw/zinc/26/83/04/208268304.db2.gz DOOZVYINFMCFNE-UHFFFAOYSA-N 0 0 360.248 5.161 10 0 FKAERN Cc1cccc(Nc2ncnc(Nc3cccc(Cl)c3Cl)c2N)c1 ZINC000040778543 205081918 /nfs/dbraw/zinc/08/19/18/205081918.db2.gz FGWWTQCXCWHHPY-UHFFFAOYSA-N 0 0 360.248 5.161 10 0 FKAERN Nc1c(Nc2cccc(Cl)c2Cl)ncnc1Sc1ccccc1 ZINC000040778590 208268864 /nfs/dbraw/zinc/26/88/64/208268864.db2.gz YIQMWNRMGULAAD-UHFFFAOYSA-N 0 0 363.273 5.260 10 0 FKAERN Cc1ccc(CNc2ncnc(Nc3cccc(Cl)c3Cl)c2N)cc1 ZINC000040778608 208269383 /nfs/dbraw/zinc/26/93/83/208269383.db2.gz MIXZVAKSFJCIKG-UHFFFAOYSA-N 0 0 374.275 5.030 10 0 FKAERN Cc1ccc(Oc2ncnc(Nc3cccc(Cl)c3Cl)c2N)cc1 ZINC000040778708 205081843 /nfs/dbraw/zinc/08/18/43/205081843.db2.gz DOPXYIDOSBYILY-UHFFFAOYSA-N 0 0 361.232 5.210 10 0 FKAERN Cc1ccccc1Nc1ncnc(Nc2ccc(Cl)cc2Cl)c1N ZINC000040781174 208270883 /nfs/dbraw/zinc/27/08/83/208270883.db2.gz ZWYVBAHUWUFGLE-UHFFFAOYSA-N 0 0 360.248 5.161 10 0 FKAERN Cc1ccccc1Nc1ncnc(Oc2cc(C)c(Cl)c(C)c2)c1N ZINC000040781220 205081199 /nfs/dbraw/zinc/08/11/99/205081199.db2.gz AUCPDLKRUJJWLF-UHFFFAOYSA-N 0 0 354.841 5.173 10 0 FKAERN Cc1cc(Oc2ncnc(Nc3ccccc3Cl)c2N)ccc1Cl ZINC000040781337 205081744 /nfs/dbraw/zinc/08/17/44/205081744.db2.gz POBCRZWHVIRLQD-UHFFFAOYSA-N 0 0 361.232 5.210 10 0 FKAERN Cc1cccc(Nc2ncnc(Nc3ccc(Cl)cc3Cl)c2N)c1 ZINC000040781631 208271048 /nfs/dbraw/zinc/27/10/48/208271048.db2.gz JICBRXXMPJEYJL-UHFFFAOYSA-N 0 0 360.248 5.161 10 0 FKAERN Cc1cc(Oc2ncnc(Nc3cccc(Cl)c3)c2N)ccc1Cl ZINC000040781828 205081382 /nfs/dbraw/zinc/08/13/82/205081382.db2.gz MXUKYAKDQMJFKO-UHFFFAOYSA-N 0 0 361.232 5.210 10 0 FKAERN Cc1ccc(Nc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)cc1 ZINC000040782077 205081738 /nfs/dbraw/zinc/08/17/38/205081738.db2.gz HXVZFPIWHSRTTP-UHFFFAOYSA-N 0 0 354.841 5.173 10 0 FKAERN Cc1cc(Oc2ncnc(Nc3ccc(F)cc3)c2N)cc(C)c1Cl ZINC000040782498 205081702 /nfs/dbraw/zinc/08/17/02/205081702.db2.gz WUPJJYSADACEOG-UHFFFAOYSA-N 0 0 358.804 5.004 10 0 FKAERN Nc1c(Nc2ccc(Cl)cc2Cl)ncnc1Sc1ccccc1 ZINC000040783168 211759106 /nfs/dbraw/zinc/75/91/06/211759106.db2.gz JLRGMUBLJIHCHU-UHFFFAOYSA-N 0 0 363.273 5.260 10 0 FKAERN Cc1cc(Oc2ncnc(Sc3ccccc3)c2N)cc(C)c1Cl ZINC000040783214 220921204 /nfs/dbraw/zinc/92/12/04/220921204.db2.gz MNWSNQAAHQFFBC-UHFFFAOYSA-N 0 0 357.866 5.273 10 0 FKAERN Cc1ccc(CNc2ncnc(Nc3ccc(Cl)cc3Cl)c2N)cc1 ZINC000040783271 208271383 /nfs/dbraw/zinc/27/13/83/208271383.db2.gz HLRXYYUCARSVGY-UHFFFAOYSA-N 0 0 374.275 5.030 10 0 FKAERN Cc1ccc(CNc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)cc1 ZINC000040783785 220921280 /nfs/dbraw/zinc/92/12/80/220921280.db2.gz GMCXHNIKJBHUGB-UHFFFAOYSA-N 0 0 368.868 5.042 10 0 FKAERN Cc1ccc(Oc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)cc1 ZINC000040796238 208271002 /nfs/dbraw/zinc/27/10/02/208271002.db2.gz CMDGTFTZMLZTMV-UHFFFAOYSA-N 0 0 355.825 5.222 10 0 FKAERN Cc1ccc(Oc2ncnc(Nc3ccc(F)c(Cl)c3)c2N)cc1C ZINC000040797722 220921786 /nfs/dbraw/zinc/92/17/86/220921786.db2.gz NOLBFIZXJLSVAD-UHFFFAOYSA-N 0 0 358.804 5.004 10 0 FKAERN Cc1cc(Oc2ncnc(NC3CCCCCC3)c2N)cc(C)c1Cl ZINC000040797996 205081817 /nfs/dbraw/zinc/08/18/17/205081817.db2.gz PVLCVCNHNQJVPD-UHFFFAOYSA-N 0 0 360.889 5.256 10 0 FKAERN CCc1ccc(Oc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)cc1 ZINC000040798022 211759277 /nfs/dbraw/zinc/75/92/77/211759277.db2.gz HLOREKNRMKJVPM-UHFFFAOYSA-N 0 0 369.852 5.476 10 0 FKAERN CCc1ccc(Oc2ncnc(Oc3ccc(Cl)c(C)c3)c2N)cc1 ZINC000040798172 208269942 /nfs/dbraw/zinc/26/99/42/208269942.db2.gz UKGUIRWRBWMTBE-UHFFFAOYSA-N 0 0 355.825 5.168 10 0 FKAERN Cc1ccc(Oc2ncnc(Oc3ccc(Cl)c(C)c3)c2N)cc1C ZINC000040798182 211758389 /nfs/dbraw/zinc/75/83/89/211758389.db2.gz MUOSUJKFQZHBQQ-UHFFFAOYSA-N 0 0 355.825 5.222 10 0 FKAERN CCc1ccc(Oc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2N)cc1 ZINC000040799949 205081063 /nfs/dbraw/zinc/08/10/63/205081063.db2.gz HDAPQMNZTYXHSM-UHFFFAOYSA-N 0 0 374.366 5.176 10 0 FKAERN CN(C(=O)c1sc2ccc3ccccc3c2c1Cl)c1ccccc1 ZINC000040828375 205081066 /nfs/dbraw/zinc/08/10/66/205081066.db2.gz NZXQDJMUAMVTKI-UHFFFAOYSA-N 0 0 351.858 5.985 10 0 FKAERN CCN(C(=O)c1sc2ccc3ccccc3c2c1Cl)c1ccccc1 ZINC000040828391 208271544 /nfs/dbraw/zinc/27/15/44/208271544.db2.gz JJNDYIRPBFBNSX-UHFFFAOYSA-N 0 0 365.885 6.375 10 0 FKAERN Cc1ccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c(C)c1 ZINC000040828426 208270624 /nfs/dbraw/zinc/27/06/24/208270624.db2.gz RLGFIENPFFPLBF-UHFFFAOYSA-N 0 0 368.484 5.978 10 0 FKAERN O=C(Nc1ccc(Cl)cc1)c1sc2ccc3ccccc3c2c1Cl ZINC000040838351 205083432 /nfs/dbraw/zinc/08/34/32/205083432.db2.gz SIPFJDVZPJKLOK-UHFFFAOYSA-N 0 0 372.276 6.614 10 0 FKAERN O=C(Nc1ccc(F)cc1F)c1sc2ccc3ccccc3c2c1Cl ZINC000040838376 208271028 /nfs/dbraw/zinc/27/10/28/208271028.db2.gz BFSBRYLVUKURSZ-UHFFFAOYSA-N 0 0 373.811 6.238 10 0 FKAERN O=C(Nc1cccc(F)c1)c1sc2ccc3ccccc3c2c1Cl ZINC000040838380 208269935 /nfs/dbraw/zinc/26/99/35/208269935.db2.gz UZCDWLLYQBKKGZ-UHFFFAOYSA-N 0 0 355.821 6.099 10 0 FKAERN CCc1ccccc1NC(=O)c1sc2ccc3ccccc3c2c1Cl ZINC000040838384 208271414 /nfs/dbraw/zinc/27/14/14/208271414.db2.gz KSHPCMSXUUHETB-UHFFFAOYSA-N 0 0 365.885 6.523 10 0 FKAERN CCc1ccc(NC(=O)c2sc3ccc4ccccc4c3c2Cl)cc1 ZINC000040838388 205082859 /nfs/dbraw/zinc/08/28/59/205082859.db2.gz WZNKLPMMOMAYII-UHFFFAOYSA-N 0 0 365.885 6.523 10 0 FKAERN Cc1ccc(NC(=O)c2sc3ccc4ccccc4c3c2Cl)c(C)c1 ZINC000040838417 211760352 /nfs/dbraw/zinc/76/03/52/211760352.db2.gz VPRYKJZLWYDMTL-UHFFFAOYSA-N 0 0 365.885 6.577 10 0 FKAERN O=C(Nc1ccc(Cl)cn1)c1sc2ccc3ccccc3c2c1Cl ZINC000040838454 208271561 /nfs/dbraw/zinc/27/15/61/208271561.db2.gz UWGUTSLHLRIMGN-UHFFFAOYSA-N 0 0 373.264 6.009 10 0 FKAERN Cc1cc(C)nc(NC(=O)c2sc3ccc4ccccc4c3c2Cl)n1 ZINC000040838463 208270166 /nfs/dbraw/zinc/27/01/66/208270166.db2.gz WDSPAFJRMQDOLL-UHFFFAOYSA-N 0 0 367.861 5.367 10 0 FKAERN Cc1ccnc(NC(=O)c2sc3ccc4ccccc4c3c2Cl)n1 ZINC000040838467 208270060 /nfs/dbraw/zinc/27/00/60/208270060.db2.gz JDPFSMKFFHWPIW-UHFFFAOYSA-N 0 0 353.834 5.059 10 0 FKAERN Cc1cccc(NC(=O)c2sc3ccc4ccccc4c3c2Cl)n1 ZINC000040838471 205083213 /nfs/dbraw/zinc/08/32/13/205083213.db2.gz ZSTRJFKMEPZPHK-UHFFFAOYSA-N 0 0 352.846 5.664 10 0 FKAERN Cc1cc(C)cc(N2C(=O)S/C(=C/C=C/c3ccccc3)C2=S)c1 ZINC000040846390 211760403 /nfs/dbraw/zinc/76/04/03/211760403.db2.gz JGLRULAHYAZVFL-XICJKMHVSA-N 0 0 351.496 5.901 10 0 FKAERN CC(C)COC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000040846402 208271055 /nfs/dbraw/zinc/27/10/55/208271055.db2.gz LCBFPRCSFWENMX-UHFFFAOYSA-N 0 0 353.462 5.049 10 0 FKAERN CCOc1ccc(/C=C/C(=O)Oc2cc(Cl)ccc2Cl)cc1OC ZINC000040852700 205083122 /nfs/dbraw/zinc/08/31/22/205083122.db2.gz FBJYHWSGTZLJDV-WEVVVXLNSA-N 0 0 367.228 5.020 10 0 FKAERN CCOc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2Cl)cc1OC ZINC000040852941 220923222 /nfs/dbraw/zinc/92/32/22/220923222.db2.gz IHFPRUDLVJQMJC-WEVVVXLNSA-N 0 0 367.228 5.020 10 0 FKAERN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Oc1cccc(Cl)c1 ZINC000040865331 208273027 /nfs/dbraw/zinc/27/30/27/208273027.db2.gz CYSUGMGXPJMVBQ-SDNWHVSQSA-N 0 0 364.828 5.538 10 0 FKAERN CC(C)c1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000040866288 208271959 /nfs/dbraw/zinc/27/19/59/208271959.db2.gz QXEIRFDMPRYPIN-UHFFFAOYSA-N 0 0 371.786 5.500 10 0 FKAERN Cc1ccc(NC(=O)c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000040866936 205082797 /nfs/dbraw/zinc/08/27/97/205082797.db2.gz ZPEQQQKAEGOHDK-UHFFFAOYSA-N 0 0 365.816 5.120 10 0 FKAERN Cc1ccc(NC(=O)c2ccc(OC(=O)c3c(C)cc(C)cc3C)cc2)cc1 ZINC000040866943 208273192 /nfs/dbraw/zinc/27/31/92/208273192.db2.gz DQBQIVLRRRZPSJ-UHFFFAOYSA-N 0 0 373.452 5.392 10 0 FKAERN O=C1S/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1Cc1ccccc1 ZINC000040867497 205082456 /nfs/dbraw/zinc/08/24/56/205082456.db2.gz KREVWUBAVWQZJB-DHDCSXOGSA-N 0 0 364.253 5.230 10 0 FKAERN Cc1cc(OC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc(C)c1Cl ZINC000040868226 208271844 /nfs/dbraw/zinc/27/18/44/208271844.db2.gz WTEOLKAOUQNUHW-GQCTYLIASA-N 0 0 355.648 5.882 10 0 FKAERN Cc1cc(C)c(C)c(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000040868616 208272137 /nfs/dbraw/zinc/27/21/37/208272137.db2.gz WBYYKFCGTQXGNN-UHFFFAOYSA-N 0 0 371.786 5.302 10 0 FKAERN CCOc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2C)cc1OCC ZINC000040869452 205082438 /nfs/dbraw/zinc/08/24/38/205082438.db2.gz MQXSDVIGDSMARQ-YRNVUSSQSA-N 0 0 360.837 5.065 10 0 FKAERN CCOc1ccc(/C=C/C(=O)Oc2cc(C)c(Cl)c(C)c2)cc1OCC ZINC000040869455 220923282 /nfs/dbraw/zinc/92/32/82/220923282.db2.gz KKOVHSWAZYWHKN-CSKARUKUSA-N 0 0 374.864 5.373 10 0 FKAERN CCOc1ccc(/C=C/C(=O)Oc2ccc(C(C)(C)C)cc2)cc1OCC ZINC000040869467 205082534 /nfs/dbraw/zinc/08/25/34/205082534.db2.gz GDKBITLXYUULPY-OQLLNIDSSA-N 0 0 368.473 5.400 10 0 FKAERN CCOc1ccc(/C=C/C(=O)Oc2ccccc2C(C)(C)C)cc1OCC ZINC000040869471 220923583 /nfs/dbraw/zinc/92/35/83/220923583.db2.gz JSUXCKCCAKXYBL-FYWRMAATSA-N 0 0 368.473 5.400 10 0 FKAERN CCCc1ccc(OC(=O)/C=C/c2ccc(OCC)c(OCC)c2)cc1 ZINC000040869475 211763055 /nfs/dbraw/zinc/76/30/55/211763055.db2.gz CKBSXYYCDHELCU-RVDMUPIBSA-N 0 0 354.446 5.055 10 0 FKAERN Cc1ccc(-c2csc(NC(=O)COc3c(C)cccc3C)n2)cc1C ZINC000040870635 208272067 /nfs/dbraw/zinc/27/20/67/208272067.db2.gz CWUPZDMQUIDPKU-UHFFFAOYSA-N 0 0 366.486 5.061 10 0 FKAERN CC(C)=CC(=O)Oc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000040882752 208271922 /nfs/dbraw/zinc/27/19/22/208271922.db2.gz QTLAGJBKKNMHJV-UHFFFAOYSA-N 0 0 364.228 5.117 10 0 FKAERN Cc1ccc(-c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000040883427 208272023 /nfs/dbraw/zinc/27/20/23/208272023.db2.gz LULXWQDYJAATDW-UHFFFAOYSA-N 0 0 357.236 6.188 10 0 FKAERN Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000040883437 205084187 /nfs/dbraw/zinc/08/41/87/205084187.db2.gz KIVVTJXJWXHXSG-UHFFFAOYSA-N 0 0 350.801 5.099 10 0 FKAERN Cc1cc(Br)cc(C)c1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000040883459 205084152 /nfs/dbraw/zinc/08/41/52/205084152.db2.gz FONATRXDQQYPTI-UHFFFAOYSA-N 0 0 374.061 5.592 10 0 FKAERN CC(C)c1ccc(/C=C/C(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000040883500 205083719 /nfs/dbraw/zinc/08/37/19/205083719.db2.gz NOSYJROFZDKCDU-JLHYYAGUSA-N 0 0 355.507 5.361 10 0 FKAERN Cc1ccc(OC(=O)/C=C/c2ccc(Cl)cc2)c(Br)c1 ZINC000040883609 205083966 /nfs/dbraw/zinc/08/39/66/205083966.db2.gz OQBFXQJXLBUGHW-WEVVVXLNSA-N 0 0 351.627 5.030 10 0 FKAERN Cc1cc(Br)cc(C)c1OC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000040883697 208273061 /nfs/dbraw/zinc/27/30/61/208273061.db2.gz MDAGAWHTOCPTQK-JXMROGBWSA-N 0 0 373.290 5.808 10 0 FKAERN Cc1cc(Br)cc(C)c1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000040883727 205084432 /nfs/dbraw/zinc/08/44/32/205084432.db2.gz QSXIOTMNEKTSBD-VMPITWQZSA-N 0 0 365.654 5.338 10 0 FKAERN Cc1ccc(C(=O)Oc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000040884065 205084090 /nfs/dbraw/zinc/08/40/90/205084090.db2.gz KLRSVTHXZZLKTM-UHFFFAOYSA-N 0 0 359.425 5.083 10 0 FKAERN Cc1ccc(C(=O)Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000040884068 220924365 /nfs/dbraw/zinc/92/43/65/220924365.db2.gz ZZMKECLYSMXZGW-UHFFFAOYSA-N 0 0 365.816 5.120 10 0 FKAERN O=C(Cc1cccc2ccccc21)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000040889486 205084157 /nfs/dbraw/zinc/08/41/57/205084157.db2.gz MNKQKNJLNUDQAF-UHFFFAOYSA-N 0 0 362.429 5.284 10 0 FKAERN CCCOc1ccc(/C=C/C(=O)Oc2ccc(CCC)cc2)cc1OC ZINC000040890324 211762806 /nfs/dbraw/zinc/76/28/06/211762806.db2.gz MJTYZOSFQDMQGV-GXDHUFHOSA-N 0 0 354.446 5.055 10 0 FKAERN CCCOc1ccc(/C=C/C(=O)Oc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000040890331 205084285 /nfs/dbraw/zinc/08/42/85/205084285.db2.gz WSRSSTUQCXFYPF-VQHVLOKHSA-N 0 0 374.864 5.373 10 0 FKAERN O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCCCCCCCCCC1 ZINC000040897656 205084132 /nfs/dbraw/zinc/08/41/32/205084132.db2.gz YBBJLCMESYVVFA-UHFFFAOYSA-N 0 0 371.352 6.788 10 0 FKAERN O=C(NC(=S)NC1CCCCCCCCCCC1)c1cccs1 ZINC000040898414 208275185 /nfs/dbraw/zinc/27/51/85/208275185.db2.gz RQUFRVNLZUWZII-UHFFFAOYSA-N 0 0 352.569 5.026 10 0 FKAERN O=C(CCc1ccccc1)NC(=S)NC1CCCCCCCCCCC1 ZINC000040898517 211763160 /nfs/dbraw/zinc/76/31/60/211763160.db2.gz MJMWFOFUIFOOBD-UHFFFAOYSA-N 0 0 374.594 5.283 10 0 FKAERN CC(C)c1cccc(C(C)C)c1NC(=S)NC(=O)CCc1ccccc1 ZINC000040898531 205084383 /nfs/dbraw/zinc/08/43/83/205084383.db2.gz LFFNZUOFSNTRSM-UHFFFAOYSA-N 0 0 368.546 5.379 10 0 FKAERN Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)c1cc2ccccc2o1 ZINC000040902381 208273980 /nfs/dbraw/zinc/27/39/80/208273980.db2.gz OZCDACDPQCNSGJ-UHFFFAOYSA-N 0 0 356.377 5.191 10 0 FKAERN Cc1cc(OCCCC(=O)Nc2cccc(Cl)c2)cc(C)c1Cl ZINC000040912620 220925091 /nfs/dbraw/zinc/92/50/91/220925091.db2.gz KFTUNTGADXJMTG-UHFFFAOYSA-N 0 0 352.261 5.408 10 0 FKAERN Cc1cc(OCCCC(=O)Nc2cccc(Cl)c2C)cc(C)c1Cl ZINC000040912654 211763605 /nfs/dbraw/zinc/76/36/05/211763605.db2.gz SPZPKLAUFQVTHC-UHFFFAOYSA-N 0 0 366.288 5.716 10 0 FKAERN Cc1ccc(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1Cl ZINC000040912655 208274122 /nfs/dbraw/zinc/27/41/22/208274122.db2.gz ANGUQHWYAVHEFO-UHFFFAOYSA-N 0 0 366.288 5.716 10 0 FKAERN Cc1cc(OCCCC(=O)Nc2cccc3ccccc32)cc(C)c1Cl ZINC000040912658 220924961 /nfs/dbraw/zinc/92/49/61/220924961.db2.gz VPABGDHWCBLYRX-UHFFFAOYSA-N 0 0 367.876 5.908 10 0 FKAERN CCCc1ccc(OCCCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 ZINC000040912944 208275329 /nfs/dbraw/zinc/27/53/29/208275329.db2.gz KYAYELGWDRERKE-UHFFFAOYSA-N 0 0 359.897 5.707 10 0 FKAERN O=C(Nc1nc2c(s1)CCCC2)c1ccccc1CCc1ccccc1 ZINC000040925282 205085431 /nfs/dbraw/zinc/08/54/31/205085431.db2.gz CKKXTZANCHGNHT-UHFFFAOYSA-N 0 0 362.498 5.059 10 0 FKAERN Cc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1cccc(Cl)c1 ZINC000040925701 205085635 /nfs/dbraw/zinc/08/56/35/205085635.db2.gz YKPLHIWSKKSICU-UHFFFAOYSA-N 0 0 363.269 5.678 10 0 FKAERN CC(C)Oc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cc1 ZINC000040925718 205085348 /nfs/dbraw/zinc/08/53/48/205085348.db2.gz MRDSRLDAOLGULL-UHFFFAOYSA-N 0 0 372.877 5.503 10 0 FKAERN CCOc1ccccc1-c1csc(NC(=O)c2cccc(Cl)c2)n1 ZINC000040925724 208275079 /nfs/dbraw/zinc/27/50/79/208275079.db2.gz FZEHPRNUTNXSKX-UHFFFAOYSA-N 0 0 358.850 5.115 10 0 FKAERN CCOc1ccccc1-c1csc(NC(=O)c2ccccc2Cl)n1 ZINC000040925753 211764698 /nfs/dbraw/zinc/76/46/98/211764698.db2.gz STYVWDONENPMDP-UHFFFAOYSA-N 0 0 358.850 5.115 10 0 FKAERN Cc1ccc(C)c(-c2csc(NC(=O)c3c(C)cc(C)cc3C)n2)c1 ZINC000040925890 208275060 /nfs/dbraw/zinc/27/50/60/208275060.db2.gz WWHCISHOADPVKA-UHFFFAOYSA-N 0 0 350.487 5.605 10 0 FKAERN CCc1ccc(-c2csc(NC(=O)c3c(C)cc(C)cc3C)n2)cc1 ZINC000040925905 208275353 /nfs/dbraw/zinc/27/53/53/208275353.db2.gz PYPBJJNCGGQDAS-UHFFFAOYSA-N 0 0 350.487 5.550 10 0 FKAERN Cc1cc(C)c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c(C)c1 ZINC000040925911 208273830 /nfs/dbraw/zinc/27/38/30/208273830.db2.gz AGNUVVCUMCBOAW-UHFFFAOYSA-N 0 0 356.878 5.641 10 0 FKAERN Cc1sc(NC(=O)c2c(C)cc(C)cc2C)nc1-c1cccc(Cl)c1 ZINC000040925913 205085104 /nfs/dbraw/zinc/08/51/04/205085104.db2.gz HLIGJHZKWCCFFP-UHFFFAOYSA-N 0 0 370.905 5.949 10 0 FKAERN Cc1ccccc1C(=O)Nc1nc(-c2ccc(OC(C)C)cc2)cs1 ZINC000040925930 205084696 /nfs/dbraw/zinc/08/46/96/205084696.db2.gz WGDNVNKYXJSEMJ-UHFFFAOYSA-N 0 0 352.459 5.158 10 0 FKAERN Cc1ccccc1C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000040925936 208274811 /nfs/dbraw/zinc/27/48/11/208274811.db2.gz IRUSZZJNQZCGCX-UHFFFAOYSA-N 0 0 373.275 5.133 10 0 FKAERN Cc1cccc(C(=O)Nc2nc(-c3ccc(OC(C)C)cc3)cs2)c1 ZINC000040925955 205085640 /nfs/dbraw/zinc/08/56/40/205085640.db2.gz YVHWYGRFCFUBIX-UHFFFAOYSA-N 0 0 352.459 5.158 10 0 FKAERN Cc1cccc(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)c1 ZINC000040925960 208275580 /nfs/dbraw/zinc/27/55/80/208275580.db2.gz OBNPVGKHWKCMFJ-UHFFFAOYSA-N 0 0 373.275 5.133 10 0 FKAERN Cc1ccc(C(=O)Nc2nc(-c3ccc(OC(C)C)cc3)cs2)cc1 ZINC000040925981 208274332 /nfs/dbraw/zinc/27/43/32/208274332.db2.gz ISRFSAWAVAYUDJ-UHFFFAOYSA-N 0 0 352.459 5.158 10 0 FKAERN CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1 ZINC000040926032 205085308 /nfs/dbraw/zinc/08/53/08/205085308.db2.gz ZODFYGQAHQXCGD-UHFFFAOYSA-N 0 0 370.905 6.013 10 0 FKAERN CCOc1ccccc1C(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 ZINC000040926159 208275530 /nfs/dbraw/zinc/27/55/30/208275530.db2.gz MABKNAXEDCIZFF-UHFFFAOYSA-N 0 0 372.877 5.423 10 0 FKAERN Cc1sc(NC(=O)c2ccc(C)c(C)c2)nc1-c1ccc(Cl)cc1 ZINC000040926486 205085134 /nfs/dbraw/zinc/08/51/34/205085134.db2.gz WQQKAMCZBRJGPC-UHFFFAOYSA-N 0 0 356.878 5.641 10 0 FKAERN Cc1ccc(C(=O)Nc2nc(-c3ccc(OC(C)C)cc3)cs2)cc1C ZINC000040926492 205084721 /nfs/dbraw/zinc/08/47/21/205084721.db2.gz HFBQIIVFLYEFNN-UHFFFAOYSA-N 0 0 366.486 5.466 10 0 FKAERN CCOc1ccccc1-c1csc(NC(=O)c2ccc(C)c(C)c2)n1 ZINC000040926495 205085101 /nfs/dbraw/zinc/08/51/01/205085101.db2.gz WMURAKRTSPIRBO-UHFFFAOYSA-N 0 0 352.459 5.078 10 0 FKAERN Cc1sc(NC(=O)c2ccc(C)c(C)c2)nc1-c1cccc(Cl)c1 ZINC000040926504 208274742 /nfs/dbraw/zinc/27/47/42/208274742.db2.gz QWXZXRWMVZJXBF-UHFFFAOYSA-N 0 0 356.878 5.641 10 0 FKAERN CCOc1ccccc1-c1csc(NC(=O)c2cc3ccccc3o2)n1 ZINC000040928928 211764889 /nfs/dbraw/zinc/76/48/89/211764889.db2.gz SWIPNBGKBPAQPH-UHFFFAOYSA-N 0 0 364.426 5.207 10 0 FKAERN O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cc2ccccc2o1 ZINC000040928933 205085400 /nfs/dbraw/zinc/08/54/00/205085400.db2.gz FIEBKDCUQFSNFL-UHFFFAOYSA-N 0 0 354.818 5.462 10 0 FKAERN CCOc1ccccc1-c1csc(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000040929021 220925127 /nfs/dbraw/zinc/92/51/27/220925127.db2.gz YDVSXANWLHEFGA-UHFFFAOYSA-N 0 0 373.865 5.506 10 0 FKAERN CCc1ccc(-c2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000040929024 205084842 /nfs/dbraw/zinc/08/48/42/205084842.db2.gz YJFLWJNJPCHRGO-UHFFFAOYSA-N 0 0 357.866 5.670 10 0 FKAERN CCOc1ccccc1-c1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000040929075 208274048 /nfs/dbraw/zinc/27/40/48/208274048.db2.gz IPDCTNLBAWTWRE-UHFFFAOYSA-N 0 0 373.865 5.506 10 0 FKAERN O=C(Nc1nc(-c2ccccc2Cl)cs1)Nc1cccc(Cl)c1 ZINC000040929081 208274723 /nfs/dbraw/zinc/27/47/23/208274723.db2.gz HEZKVVXRPNPBEI-UHFFFAOYSA-N 0 0 364.257 5.761 10 0 FKAERN Cc1sc(NC(=O)COc2ccc(C)cc2)nc1-c1ccc(Cl)cc1 ZINC000040929172 211764167 /nfs/dbraw/zinc/76/41/67/211764167.db2.gz TWPBDSXLPMCAQY-UHFFFAOYSA-N 0 0 372.877 5.098 10 0 FKAERN Cc1cc(C)cc(OCC(=O)Nc2nc(-c3ccccc3Cl)cs2)c1 ZINC000040929697 205085374 /nfs/dbraw/zinc/08/53/74/205085374.db2.gz JXGJQAYIKRWLCM-UHFFFAOYSA-N 0 0 372.877 5.098 10 0 FKAERN CCc1ccc(-c2csc(NC(=O)c3cccs3)c2C(=O)OC)cc1 ZINC000040939184 220924838 /nfs/dbraw/zinc/92/48/38/220924838.db2.gz GPYSTZRQNQCEHR-UHFFFAOYSA-N 0 0 371.483 5.078 10 0 FKAERN CCc1ccc(-c2csc(NC(=O)c3ccccc3)c2C(=O)OC)cc1 ZINC000040939206 205085073 /nfs/dbraw/zinc/08/50/73/205085073.db2.gz QUVBDSDAIIVXOT-UHFFFAOYSA-N 0 0 365.454 5.016 10 0 FKAERN COC(=O)c1c(NC(=O)CC(C)(C)C)sc(C)c1-c1ccc(F)cc1 ZINC000040939707 205085085 /nfs/dbraw/zinc/08/50/85/205085085.db2.gz VRXCFKKIHYSSQW-UHFFFAOYSA-N 0 0 363.454 5.024 10 0 FKAERN CCc1ccc(-c2csc(NC(=O)CC(C)(C)C)c2C(=O)OC)cc1 ZINC000040939711 208276415 /nfs/dbraw/zinc/27/64/15/208276415.db2.gz MFKPNOPMXQKRQX-UHFFFAOYSA-N 0 0 359.491 5.139 10 0 FKAERN CCCOc1ccccc1/C=C/C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000040945313 220926269 /nfs/dbraw/zinc/92/62/69/220926269.db2.gz MUFMULQPVQBNQF-ISLYRVAYSA-N 0 0 369.549 5.983 10 0 FKAERN Cc1sc(NC(=O)c2cccc3ccccc32)nc1-c1ccc(C)cc1 ZINC000040945353 205085415 /nfs/dbraw/zinc/08/54/15/205085415.db2.gz HLQJTJMEVNULPZ-UHFFFAOYSA-N 0 0 358.466 5.832 10 0 FKAERN CCOc1ccccc1-c1csc(NC(=O)c2cccc3ccccc32)n1 ZINC000040945361 208277336 /nfs/dbraw/zinc/27/73/36/208277336.db2.gz QZRDWHKLWGGRKZ-UHFFFAOYSA-N 0 0 374.465 5.614 10 0 FKAERN O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cccc2ccccc21 ZINC000040945364 211765767 /nfs/dbraw/zinc/76/57/67/211765767.db2.gz UUDMYDOUPICJEU-UHFFFAOYSA-N 0 0 364.857 5.869 10 0 FKAERN O=C(CSc1ccc(Cl)cc1)N(C1CCCCC1)C1CCCCC1 ZINC000040945372 205085679 /nfs/dbraw/zinc/08/56/79/205085679.db2.gz JUYUCTWTFONOPU-UHFFFAOYSA-N 0 0 365.970 5.926 10 0 FKAERN Cc1sc(NC(=O)CSc2ccc(C)cc2)nc1-c1ccc(C)cc1 ZINC000040945407 205085264 /nfs/dbraw/zinc/08/52/64/205085264.db2.gz BGJPTMJVHRFGEW-UHFFFAOYSA-N 0 0 368.527 5.466 10 0 FKAERN CC(C)c1cccc(C(C)C)c1NC(=O)CSc1ccc(Cl)cc1 ZINC000040946978 205085491 /nfs/dbraw/zinc/08/54/91/205085491.db2.gz XSBCJCUTQDLJLH-UHFFFAOYSA-N 0 0 361.938 6.318 10 0 FKAERN Clc1cccc(Cl)c1CSc1nnc2c3ccccc3[nH]c2n1 ZINC000040947326 208275797 /nfs/dbraw/zinc/27/57/97/208275797.db2.gz FCQHPHLQRCNESK-UHFFFAOYSA-N 0 0 361.257 5.105 10 0 FKAERN Cc1[nH]c2ccc(C(=O)NC3CCCCCCCCCCC3)cc2c1C ZINC000040947434 208277329 /nfs/dbraw/zinc/27/73/29/208277329.db2.gz AVQAXFAGINHQQA-UHFFFAOYSA-N 0 0 354.538 6.188 10 0 FKAERN Clc1ccc(CSc2nnc(-c3ccccc3)s2)c(Cl)c1 ZINC000040947887 205085580 /nfs/dbraw/zinc/08/55/80/205085580.db2.gz VQOGCPQKJYUZNB-UHFFFAOYSA-N 0 0 353.299 5.804 10 0 FKAERN CCCCC1CCC(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)CC1 ZINC000040949128 205085173 /nfs/dbraw/zinc/08/51/73/205085173.db2.gz DFDLXXGUJVNBJC-UHFFFAOYSA-N 0 0 370.562 6.362 10 0 FKAERN CCCCC1CCC(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000040949156 208276829 /nfs/dbraw/zinc/27/68/29/208276829.db2.gz HFBIXJVDOVWGEO-UHFFFAOYSA-N 0 0 360.498 5.884 10 0 FKAERN CCCCC1CCC(C(=O)Nc2nc(-c3ccccc3)c(C)s2)CC1 ZINC000040949164 208276344 /nfs/dbraw/zinc/27/63/44/208276344.db2.gz VFYWBYHNNGKEMG-UHFFFAOYSA-N 0 0 356.535 6.054 10 0 FKAERN CCCCC1CCC(C(=O)Nc2sc(CC)cc2C(=O)OCC)CC1 ZINC000040949171 209212186 /nfs/dbraw/zinc/21/21/86/209212186.db2.gz SVGMPWWOTQKSBJ-UHFFFAOYSA-N 0 0 365.539 5.422 10 0 FKAERN CCCCC1CCC(C(=O)Oc2c(C)cc(Br)cc2C)CC1 ZINC000040949216 211766276 /nfs/dbraw/zinc/76/62/76/211766276.db2.gz NMIFPJBYTIMADB-UHFFFAOYSA-N 0 0 367.327 5.968 10 0 FKAERN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(C)c1C ZINC000040949235 205084947 /nfs/dbraw/zinc/08/49/47/205084947.db2.gz YFLIKQIMWHUCHJ-DHZHZOJOSA-N 0 0 374.278 5.117 10 0 FKAERN CCOc1ccccc1/C=C/C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000040950145 211766605 /nfs/dbraw/zinc/76/66/05/211766605.db2.gz IUNXUAVSPMHYFT-CCEZHUSRSA-N 0 0 351.490 5.984 10 0 FKAERN COc1cc(/C=C/C(=O)Nc2cccc3ccccc32)ccc1OC(C)C ZINC000040950536 211765750 /nfs/dbraw/zinc/76/57/50/211765750.db2.gz LBSKDLMHLNAVBM-WYMLVPIESA-N 0 0 361.441 5.288 10 0 FKAERN COc1cc(/C=C/C(=O)Oc2cc(C)c(Cl)c(C)c2)ccc1OC(C)C ZINC000040950600 208276660 /nfs/dbraw/zinc/27/66/60/208276660.db2.gz JSNPSWGTKPOITD-VQHVLOKHSA-N 0 0 374.864 5.371 10 0 FKAERN Cc1ccc2[nH]c3nc(SCc4ccc(C(C)(C)C)cc4)nnc3c2c1 ZINC000040963126 208277093 /nfs/dbraw/zinc/27/70/93/208277093.db2.gz YXUNWAGDCAAOAN-UHFFFAOYSA-N 0 0 362.502 5.404 10 0 FKAERN CCCCc1nn2c(CC)c(-c3ccc(Br)cc3)nc2s1 ZINC000040963659 220925840 /nfs/dbraw/zinc/92/58/40/220925840.db2.gz IBGPERCVQCPCRL-UHFFFAOYSA-N 0 0 364.312 5.125 10 0 FKAERN Clc1ccc(-c2cn3nc(C4CCCCC4)sc3n2)c(Cl)c1 ZINC000040963786 205086417 /nfs/dbraw/zinc/08/64/17/205086417.db2.gz NJGOHSNQYBQPHP-UHFFFAOYSA-N 0 0 352.290 5.812 10 0 FKAERN CCC(CC)c1nn2c(C)c(-c3ccc(Br)cc3)nc2s1 ZINC000040963814 208276209 /nfs/dbraw/zinc/27/62/09/208276209.db2.gz BDTSKIXWDZBCRN-UHFFFAOYSA-N 0 0 364.312 5.432 10 0 FKAERN CCc1c(-c2ccc(Br)cc2)nc2sc3ccccc3n12 ZINC000040964184 211765315 /nfs/dbraw/zinc/76/53/15/211765315.db2.gz BCNKBCNMTNXXKK-UHFFFAOYSA-N 0 0 357.276 5.541 10 0 FKAERN Cc1c(-c2ccc(Br)cc2)nc2sc3cc(C)ccc3n12 ZINC000040964211 205085881 /nfs/dbraw/zinc/08/58/81/205085881.db2.gz WVLGSRKLMABSEL-UHFFFAOYSA-N 0 0 357.276 5.595 10 0 FKAERN CCc1c(-c2ccc(Br)cc2)nc2sc3cc(C)ccc3n12 ZINC000040964224 208276909 /nfs/dbraw/zinc/27/69/09/208276909.db2.gz FUFZKGQVPNVUPE-UHFFFAOYSA-N 0 0 371.303 5.849 10 0 FKAERN COc1ccc2c(c1)sc1nc(-c3ccc(Br)cc3)c(C)n21 ZINC000040964255 205086430 /nfs/dbraw/zinc/08/64/30/205086430.db2.gz IGPOSLLHRMYLJA-UHFFFAOYSA-N 0 0 373.275 5.296 10 0 FKAERN CCCCOc1ccc(-c2cn3c4ccc(OC)cc4sc3n2)cc1 ZINC000040964296 208276175 /nfs/dbraw/zinc/27/61/75/208276175.db2.gz QJBHQUNROFHHCR-UHFFFAOYSA-N 0 0 352.459 5.404 10 0 FKAERN CCOc1ccc2c(c1)sc1nc(-c3ccc(Br)cc3)cn21 ZINC000040964316 220925982 /nfs/dbraw/zinc/92/59/82/220925982.db2.gz ZFLSEXVEJSQWSX-UHFFFAOYSA-N 0 0 373.275 5.377 10 0 FKAERN CCOc1ccc(-c2nc3sc4cc(OCC)ccc4n3c2C)cc1 ZINC000040964328 205086353 /nfs/dbraw/zinc/08/63/53/205086353.db2.gz WUCUIIOBFSJIEO-UHFFFAOYSA-N 0 0 352.459 5.322 10 0 FKAERN CCOc1ccc2c(c1)sc1nc(-c3ccc(Cl)c(Cl)c3)cn21 ZINC000040964346 211766429 /nfs/dbraw/zinc/76/64/29/211766429.db2.gz OQIPHCIPZSVTRL-UHFFFAOYSA-N 0 0 363.269 5.922 10 0 FKAERN CCOc1ccc2c(c1)sc1nc(-c3cccc(Br)c3)cn21 ZINC000040964349 211765863 /nfs/dbraw/zinc/76/58/63/211765863.db2.gz RYXUMHLMUUSTEZ-UHFFFAOYSA-N 0 0 373.275 5.377 10 0 FKAERN CCCCOc1ccc(-c2cn3c4ccc(OCC)cc4sc3n2)cc1 ZINC000040964371 208276598 /nfs/dbraw/zinc/27/65/98/208276598.db2.gz SPSBQMYRCKIBMA-UHFFFAOYSA-N 0 0 366.486 5.794 10 0 FKAERN Cc1ccc2sc3nc(-c4ccc(Br)cc4)cn3c2c1C ZINC000040964548 211765953 /nfs/dbraw/zinc/76/59/53/211765953.db2.gz VSVUVDRJJZNXFU-UHFFFAOYSA-N 0 0 357.276 5.595 10 0 FKAERN Cc1c(-c2ccc(Br)cc2)nc2sc3ccc(C)c(C)c3n12 ZINC000040964551 220926347 /nfs/dbraw/zinc/92/63/47/220926347.db2.gz HFHKLPUYQNCRES-UHFFFAOYSA-N 0 0 371.303 5.904 10 0 FKAERN Cc1ccc2sc3nc(-c4cccc(Br)c4)cn3c2c1C ZINC000040964581 205086541 /nfs/dbraw/zinc/08/65/41/205086541.db2.gz XAEUKSLNBKUSGQ-UHFFFAOYSA-N 0 0 357.276 5.595 10 0 FKAERN CCCCOc1ccc(-c2cn3c(n2)sc2ccc(C)c(C)c23)cc1 ZINC000040964608 211766071 /nfs/dbraw/zinc/76/60/71/211766071.db2.gz TWTGESQPOURTPA-UHFFFAOYSA-N 0 0 350.487 6.012 10 0 FKAERN COc1cccc2sc3nc(-c4ccc(Br)cc4)c(C)n3c21 ZINC000040964635 208275737 /nfs/dbraw/zinc/27/57/37/208275737.db2.gz KMLAAYJLNODHFH-UHFFFAOYSA-N 0 0 373.275 5.296 10 0 FKAERN CCCCc1ccc2c(c1)sc1nc(-c3ccc(OCC)cc3)cn21 ZINC000040964947 205086738 /nfs/dbraw/zinc/08/67/38/205086738.db2.gz POUOQEOWLYHGKF-UHFFFAOYSA-N 0 0 350.487 5.957 10 0 FKAERN CCCCc1ccc2c(c1)sc1nc(-c3ccc(OCC)cc3)c(C)n21 ZINC000040964950 205086729 /nfs/dbraw/zinc/08/67/29/205086729.db2.gz DTDBJIXEXFXMPO-UHFFFAOYSA-N 0 0 364.514 6.266 10 0 FKAERN CCCSc1nn2c(C)c(-c3ccc(Br)cc3)nc2s1 ZINC000040965166 208277050 /nfs/dbraw/zinc/27/70/50/208277050.db2.gz AUWIPJJXBFBMDY-UHFFFAOYSA-N 0 0 368.325 5.031 10 0 FKAERN CCCCc1ccc2nc(NC(=O)c3c(C)cc(C)cc3C)sc2c1 ZINC000040965254 205086382 /nfs/dbraw/zinc/08/63/82/205086382.db2.gz HDGWUILJDGWAFP-UHFFFAOYSA-N 0 0 352.503 5.816 10 0 FKAERN COc1c(Cl)ccc(Cl)c1C(=O)Nc1nc2c(cccc2C)s1 ZINC000040965275 205086263 /nfs/dbraw/zinc/08/62/63/205086263.db2.gz ZRABBHJPBOLSDB-UHFFFAOYSA-N 0 0 367.257 5.172 10 0 FKAERN Cc1ccc2sc(NC(=O)c3ccc(Cl)c(Cl)c3)nc2c1C ZINC000040965285 220926321 /nfs/dbraw/zinc/92/63/21/220926321.db2.gz VAFYQKDWXIQTIX-UHFFFAOYSA-N 0 0 351.258 5.472 10 0 FKAERN Cc1cccc2sc(NC(=O)COc3ccc(C(C)C)c(C)c3)nc21 ZINC000040965541 205086603 /nfs/dbraw/zinc/08/66/03/205086603.db2.gz BYSBLUUJJPGKBJ-UHFFFAOYSA-N 0 0 354.475 5.054 10 0 FKAERN Cc1ccc2sc(NC(=O)COc3cc(C)c(Cl)c(C)c3)nc2c1C ZINC000040965607 205086089 /nfs/dbraw/zinc/08/60/89/205086089.db2.gz FUBUIOBKFMALOC-UHFFFAOYSA-N 0 0 374.893 5.201 10 0 FKAERN Cc1ccc2sc(NC(=O)COc3ccc(C(C)C)cc3)nc2c1C ZINC000040965610 208276223 /nfs/dbraw/zinc/27/62/23/208276223.db2.gz JCMCKZGNJOHHCE-UHFFFAOYSA-N 0 0 354.475 5.054 10 0 FKAERN Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3c(ccc(C)c3C)s2)c1 ZINC000040965680 205085862 /nfs/dbraw/zinc/08/58/62/205085862.db2.gz RQTPJXCJGXQUTK-UHFFFAOYSA-N 0 0 368.502 5.362 10 0 FKAERN Cc1ccc2sc(NC(=O)COc3ccccc3C(C)(C)C)nc2c1C ZINC000040965689 208277255 /nfs/dbraw/zinc/27/72/55/208277255.db2.gz PAMLDNWWCYXANX-UHFFFAOYSA-N 0 0 368.502 5.228 10 0 FKAERN Cc1ccc2sc(NC(=O)COc3ccc(C(C)(C)C)cc3)nc2c1C ZINC000040965692 220926361 /nfs/dbraw/zinc/92/63/61/220926361.db2.gz QRIOUOKLKMMBPZ-UHFFFAOYSA-N 0 0 368.502 5.228 10 0 FKAERN Cc1ccc2sc(NC(=O)COc3ccc(C(C)C)c(C)c3)nc2c1C ZINC000040965700 205086724 /nfs/dbraw/zinc/08/67/24/205086724.db2.gz BTWGORZHTLCCCF-UHFFFAOYSA-N 0 0 368.502 5.362 10 0 FKAERN Cc1ccc2sc(NC(=O)COc3cccc(C(C)C)c3)nc2c1C ZINC000040965711 208276868 /nfs/dbraw/zinc/27/68/68/208276868.db2.gz PNYFJVRMTJZVRD-UHFFFAOYSA-N 0 0 354.475 5.054 10 0 FKAERN COC(=O)c1c(NC(=O)C(C)(C)C)sc(C)c1-c1cccc(Cl)c1 ZINC000040966502 208276855 /nfs/dbraw/zinc/27/68/55/208276855.db2.gz LUVPCWDFTFFIOD-UHFFFAOYSA-N 0 0 365.882 5.148 10 0 FKAERN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)c1ccco1 ZINC000040966650 208276308 /nfs/dbraw/zinc/27/63/08/208276308.db2.gz VTKLWPYHOAXALQ-UHFFFAOYSA-N 0 0 369.442 5.054 10 0 FKAERN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C=C(C)C ZINC000040967065 205086364 /nfs/dbraw/zinc/08/63/64/205086364.db2.gz TYKOHWVOEXPCHH-UHFFFAOYSA-N 0 0 357.475 5.113 10 0 FKAERN CCCCOc1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1 ZINC000040967212 208277530 /nfs/dbraw/zinc/27/75/30/208277530.db2.gz BIDHUHKSEGTQRK-UHFFFAOYSA-N 0 0 360.866 5.381 10 0 FKAERN Cc1sc(NC(=O)c2c(C)cc(C)cc2C)nc1-c1ccc(F)cc1 ZINC000040967968 208277537 /nfs/dbraw/zinc/27/75/37/208277537.db2.gz PFOLASZCYMGSTN-UHFFFAOYSA-N 0 0 354.450 5.435 10 0 FKAERN CCCCOc1ccc2nc(NC(=O)c3c(C)cc(C)cc3C)sc2c1 ZINC000040967977 205086774 /nfs/dbraw/zinc/08/67/74/205086774.db2.gz VNMYKUIPCNZRLP-UHFFFAOYSA-N 0 0 368.502 5.653 10 0 FKAERN CCCCOc1ccc2nc(NC(=O)c3ccccc3OCC)sc2c1 ZINC000040968780 211765698 /nfs/dbraw/zinc/76/56/98/211765698.db2.gz AIQQJJYADATUDA-UHFFFAOYSA-N 0 0 370.474 5.126 10 0 FKAERN Cc1ccc2sc(NC(=O)/C=C/c3ccc(C(C)C)cc3)nc2c1C ZINC000040970187 205085823 /nfs/dbraw/zinc/08/58/23/205085823.db2.gz ZNCRWWVMNDZSIZ-XYOKQWHBSA-N 0 0 350.487 5.688 10 0 FKAERN Cc1cccc2sc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)nc21 ZINC000040970261 208279220 /nfs/dbraw/zinc/27/92/20/208279220.db2.gz QBDRHXPXOWUZED-SOFGYWHQSA-N 0 0 363.269 5.563 10 0 FKAERN CCCCOc1ccc2nc(NC(=O)/C=C/c3ccccc3)sc2c1 ZINC000040970322 211765964 /nfs/dbraw/zinc/76/59/64/211765964.db2.gz JTRYFQXVFJYSDV-FMIVXFBMSA-N 0 0 352.459 5.127 10 0 FKAERN COc1ccccc1-c1csc(NC(=O)/C=C/c2ccc(Cl)cc2)n1 ZINC000040970377 208278078 /nfs/dbraw/zinc/27/80/78/208278078.db2.gz ZHOHWGDZZDIXEB-DHZHZOJOSA-N 0 0 370.861 5.124 10 0 FKAERN COc1ccccc1-c1csc(NC(=O)/C=C/c2ccccc2Cl)n1 ZINC000040970441 220926342 /nfs/dbraw/zinc/92/63/42/220926342.db2.gz QQRMDNPFBUSGTE-ZHACJKMWSA-N 0 0 370.861 5.124 10 0 FKAERN Cc1cccc2sc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)nc21 ZINC000040970819 208278887 /nfs/dbraw/zinc/27/88/87/208278887.db2.gz BJJOMIJIWSKMPB-XDJHFCHBSA-N 0 0 370.477 5.784 10 0 FKAERN CCCOc1ccc(/C=C/C(=O)Nc2nc3c(ccc(C)c3C)s2)cc1 ZINC000040970995 205085844 /nfs/dbraw/zinc/08/58/44/205085844.db2.gz GBCLTNVBJNQQSF-XYOKQWHBSA-N 0 0 366.486 5.354 10 0 FKAERN CCCOc1ccc(/C=C/C(=O)Nc2nc3c(cccc3C)s2)cc1 ZINC000040970997 208278811 /nfs/dbraw/zinc/27/88/11/208278811.db2.gz RHOJKJFPWMLZHV-FMIVXFBMSA-N 0 0 352.459 5.045 10 0 FKAERN CCCCOc1ccc(/C=C/C(=O)Nc2nc3c(cccc3C)s2)cc1 ZINC000040971140 208279246 /nfs/dbraw/zinc/27/92/46/208279246.db2.gz LCJZYEDOYDBCJV-JLHYYAGUSA-N 0 0 366.486 5.436 10 0 FKAERN CCCOc1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3)c(C)n21 ZINC000040978486 205085980 /nfs/dbraw/zinc/08/59/80/205085980.db2.gz WHPTURQNCMWQEA-UHFFFAOYSA-N 0 0 356.878 5.967 10 0 FKAERN CCCOc1ccc2c(c1)sc1nc(-c3ccc(OCC)cc3)cn21 ZINC000040978487 220927742 /nfs/dbraw/zinc/92/77/42/220927742.db2.gz FKLMURPAXGBVJO-UHFFFAOYSA-N 0 0 352.459 5.404 10 0 FKAERN CCCOc1ccc2c(c1)sc1nc(-c3ccc(OCC)cc3)c(C)n21 ZINC000040978488 208277769 /nfs/dbraw/zinc/27/77/69/208277769.db2.gz GMCULHSPDHEQQW-UHFFFAOYSA-N 0 0 366.486 5.712 10 0 FKAERN CCCOc1ccc2c(c1)sc1nc(-c3ccc(OC(C)C)cc3)cn21 ZINC000040978503 205086419 /nfs/dbraw/zinc/08/64/19/205086419.db2.gz XNSZPGFQPAHMIC-UHFFFAOYSA-N 0 0 366.486 5.792 10 0 FKAERN CCCOc1ccc2c(c1)sc1nc(-c3ccc4c(c3)CCCC4)cn21 ZINC000040978507 220927737 /nfs/dbraw/zinc/92/77/37/220927737.db2.gz GUYYYMRXOJKOCM-UHFFFAOYSA-N 0 0 362.498 5.884 10 0 FKAERN CCCOc1ccc2c(c1)sc1nc(-c3ccc(C)c(C)c3)c(C)n21 ZINC000040978509 205086175 /nfs/dbraw/zinc/08/61/75/205086175.db2.gz TVSXXIPFUIHEQK-UHFFFAOYSA-N 0 0 350.487 5.930 10 0 FKAERN CCCOc1ccc2nc(NC(=O)c3c(C)cc(C)cc3C)sc2c1 ZINC000040978537 208279098 /nfs/dbraw/zinc/27/90/98/208279098.db2.gz SYBHOPILXDCWQD-UHFFFAOYSA-N 0 0 354.475 5.263 10 0 FKAERN CCCOc1ccc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000040978541 208277985 /nfs/dbraw/zinc/27/79/85/208277985.db2.gz PCXCNAQRSOPZME-UHFFFAOYSA-N 0 0 368.502 5.635 10 0 FKAERN Cc1cc2sc(NC(=O)COc3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000040979794 208278466 /nfs/dbraw/zinc/27/84/66/208278466.db2.gz PGVFGRZNJGIGCA-UHFFFAOYSA-N 0 0 368.502 5.228 10 0 FKAERN CCOc1cccc2sc(NC(=O)c3ccc(Cl)c(Cl)c3)nc21 ZINC000040979852 208277818 /nfs/dbraw/zinc/27/78/18/208277818.db2.gz CJTQGEPSCSWPBP-UHFFFAOYSA-N 0 0 367.257 5.254 10 0 FKAERN Cc1c(-c2ccc(Br)cc2)nc2c(Cl)cc(Cl)cn12 ZINC000040980520 209211329 /nfs/dbraw/zinc/21/13/29/209211329.db2.gz XUESSOSCKSVIHC-UHFFFAOYSA-N 0 0 356.050 5.379 10 0 FKAERN Cc1ccc2sc(NC(=O)CCCOc3ccc(Cl)cc3)nc2c1C ZINC000040990179 208278319 /nfs/dbraw/zinc/27/83/19/208278319.db2.gz HJCSYTVOWRKTTM-UHFFFAOYSA-N 0 0 374.893 5.364 10 0 FKAERN Cc1sc(NC(=O)CC(C)(C)C)nc1-c1ccc(Br)cc1 ZINC000040991627 208278348 /nfs/dbraw/zinc/27/83/48/208278348.db2.gz KNVHBVIPYJNDAG-UHFFFAOYSA-N 0 0 367.312 5.256 10 0 FKAERN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CC(C)(C)C ZINC000040991636 220927709 /nfs/dbraw/zinc/92/77/09/220927709.db2.gz BAOPGYZIEDKIKP-UHFFFAOYSA-N 0 0 373.518 5.583 10 0 FKAERN COc1ccccc1-c1csc(NC(=O)/C=C/c2cccc(Cl)c2)n1 ZINC000040993247 208278762 /nfs/dbraw/zinc/27/87/62/208278762.db2.gz AKPYUOCVMFCMFT-MDZDMXLPSA-N 0 0 370.861 5.124 10 0 FKAERN Cc1sc(NC(=O)/C=C/c2cccc(Cl)c2)nc1-c1ccc(F)cc1 ZINC000040993250 208278127 /nfs/dbraw/zinc/27/81/27/208278127.db2.gz UQADCRMCJFPFDT-BJMVGYQFSA-N 0 0 372.852 5.563 10 0 FKAERN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CC(C)C ZINC000040994026 208278578 /nfs/dbraw/zinc/27/85/78/208278578.db2.gz FVQVOKAMVLOSEH-UHFFFAOYSA-N 0 0 359.491 5.193 10 0 FKAERN COC(=O)c1c(NC(=O)CC(C)C)sc(C)c1-c1cccc(Cl)c1 ZINC000040994029 205086566 /nfs/dbraw/zinc/08/65/66/205086566.db2.gz WNRFMHBDOQMDMG-UHFFFAOYSA-N 0 0 365.882 5.148 10 0 FKAERN Cc1sc(NC(=O)CSc2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000040994475 208278545 /nfs/dbraw/zinc/27/85/45/208278545.db2.gz RXVBBMFYSBVZTF-UHFFFAOYSA-N 0 0 372.490 5.297 10 0 FKAERN Cc1sc(NC(=O)CCc2ccc(C)cc2)nc1-c1ccc(C)cc1 ZINC000040994593 205086357 /nfs/dbraw/zinc/08/63/57/205086357.db2.gz VIENZYVRKAGHJI-UHFFFAOYSA-N 0 0 350.487 5.307 10 0 FKAERN Cc1ccc(CCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 ZINC000040994661 205085898 /nfs/dbraw/zinc/08/58/98/205085898.db2.gz YHKAAFPWBUVFGU-UHFFFAOYSA-N 0 0 350.487 5.307 10 0 FKAERN Cc1sc(NC(=O)CCc2ccc(Cl)cc2)nc1-c1ccc(C)cc1 ZINC000040995152 208279119 /nfs/dbraw/zinc/27/91/19/208279119.db2.gz ZLHWKSSCWIQKDG-UHFFFAOYSA-N 0 0 370.905 5.652 10 0 FKAERN O=C(CCc1ccc(Cl)cc1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000040995223 208278211 /nfs/dbraw/zinc/27/82/11/208278211.db2.gz JFBNWJLTMHOIMC-UHFFFAOYSA-N 0 0 360.841 5.174 10 0 FKAERN COc1ccc(-c2csc(NC(=O)CCc3ccc(Cl)cc3)n2)cc1 ZINC000040995225 205085903 /nfs/dbraw/zinc/08/59/03/205085903.db2.gz IAQHSFVEVZCMTN-UHFFFAOYSA-N 0 0 372.877 5.043 10 0 FKAERN Cc1sc(NC(=O)CCc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000040995237 205086256 /nfs/dbraw/zinc/08/62/56/205086256.db2.gz PKBSRXHLDLXETF-UHFFFAOYSA-N 0 0 356.878 5.343 10 0 FKAERN Cc1cc(Br)cc(C)c1OC(=O)CCc1ccc(Cl)cc1 ZINC000040995353 220927207 /nfs/dbraw/zinc/92/72/07/220927207.db2.gz ZPFSMSQCCHTUOL-UHFFFAOYSA-N 0 0 367.670 5.258 10 0 FKAERN COc1ccc(CCC(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cc1 ZINC000040995421 205085976 /nfs/dbraw/zinc/08/59/76/205085976.db2.gz LMUGOLYNQKHNFB-UHFFFAOYSA-N 0 0 366.486 5.007 10 0 FKAERN CC(C)OC(=O)c1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 ZINC000040995586 205086071 /nfs/dbraw/zinc/08/60/71/205086071.db2.gz IAQGBFCZCYPYSZ-UHFFFAOYSA-N 0 0 367.489 5.121 10 0 FKAERN CC(C)(C)c1ccc(CCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000040995626 208278666 /nfs/dbraw/zinc/27/86/66/208278666.db2.gz QWZGFOZVCJMBJU-UHFFFAOYSA-N 0 0 364.514 5.679 10 0 FKAERN COc1ccc2nc(NC(=O)CCc3ccc(C(C)(C)C)cc3)sc2c1 ZINC000040995644 211768093 /nfs/dbraw/zinc/76/80/93/211768093.db2.gz MUZPTODCUPHDOC-UHFFFAOYSA-N 0 0 368.502 5.174 10 0 FKAERN Cc1ccc2nc(NC(=O)CCc3ccc(C(C)(C)C)cc3)sc2c1 ZINC000040995646 208278049 /nfs/dbraw/zinc/27/80/49/208278049.db2.gz VTEFKNPDWYZBGJ-UHFFFAOYSA-N 0 0 352.503 5.474 10 0 FKAERN Cc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c(Br)c1 ZINC000040995659 205086597 /nfs/dbraw/zinc/08/65/97/205086597.db2.gz XSVWWABQJXFGTP-UHFFFAOYSA-N 0 0 374.322 5.626 10 0 FKAERN COc1cc(Cl)c(C)cc1NC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000040995696 208278529 /nfs/dbraw/zinc/27/85/29/208278529.db2.gz YPENMSJMCFUWIH-UHFFFAOYSA-N 0 0 359.897 5.526 10 0 FKAERN CC(C)c1ccc(CCC(=O)NC2CCCCCCCCCCC2)cc1 ZINC000040995899 208277907 /nfs/dbraw/zinc/27/79/07/208277907.db2.gz KRZHTKYMCFITGE-UHFFFAOYSA-N 0 0 357.582 6.532 10 0 FKAERN CC(C)c1ccc(CCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000040995903 205086710 /nfs/dbraw/zinc/08/67/10/205086710.db2.gz FPCAFOUUACSSKS-UHFFFAOYSA-N 0 0 351.534 6.628 10 0 FKAERN CC(C)c1ccc(CCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000040995975 208278229 /nfs/dbraw/zinc/27/82/29/208278229.db2.gz WDEIETKHVNUZKC-UHFFFAOYSA-N 0 0 350.487 5.505 10 0 FKAERN Cc1ccc(NC(=O)CCc2ccc(C(C)C)cc2)c(Br)c1 ZINC000040996007 205085800 /nfs/dbraw/zinc/08/58/00/205085800.db2.gz UUJZPPGAFKKLLX-UHFFFAOYSA-N 0 0 360.295 5.452 10 0 FKAERN Cc1sc(NC(=O)CCc2ccc(C(C)C)cc2)nc1-c1ccccc1 ZINC000040996071 208278483 /nfs/dbraw/zinc/27/84/83/208278483.db2.gz UTFTWJBUNWXMRA-UHFFFAOYSA-N 0 0 364.514 5.813 10 0 FKAERN CCOC(=O)c1cc(CC)sc1NC(=O)CCc1ccc(C(C)C)cc1 ZINC000040996096 205086822 /nfs/dbraw/zinc/08/68/22/205086822.db2.gz OVCJFYYZORZVPF-UHFFFAOYSA-N 0 0 373.518 5.182 10 0 FKAERN CCOc1ccc(CCC(=O)Nc2c(C)cccc2C(C)C)cc1OC ZINC000040999916 208277729 /nfs/dbraw/zinc/27/77/29/208277729.db2.gz CYDPZAQBHIUELK-UHFFFAOYSA-N 0 0 355.478 5.097 10 0 FKAERN Clc1ccc(COc2cccc(-c3nc4ccccc4[nH]3)c2)c(Cl)c1 ZINC000041005196 208278334 /nfs/dbraw/zinc/27/83/34/208278334.db2.gz SKWXPNOUZFKQIG-UHFFFAOYSA-N 0 0 369.251 6.116 10 0 FKAERN Cc1c(C(=O)OC(C)C)sc2nc(-c3ccc(Cl)c(Cl)c3)cn12 ZINC000041005745 205087435 /nfs/dbraw/zinc/08/74/35/205087435.db2.gz BCRMFRAYTKRCCG-UHFFFAOYSA-N 0 0 369.273 5.243 10 0 FKAERN CCCCCCOc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1OCC ZINC000041006012 205087518 /nfs/dbraw/zinc/08/75/18/205087518.db2.gz GAMZQBBPDUEOOO-UHFFFAOYSA-N 0 0 352.478 5.896 10 0 FKAERN Cc1ccc2[nH]c(-c3ccc(OCc4ccc(C(C)(C)C)cc4)cc3)nc2c1 ZINC000041006081 211767054 /nfs/dbraw/zinc/76/70/54/211767054.db2.gz SDVHHSVTCCFOFZ-UHFFFAOYSA-N 0 0 370.496 6.415 10 0 FKAERN Cc1ccc2[nH]c(-c3ccc(OCc4cc(C)c(C)cc4C)cc3)nc2c1 ZINC000041006087 208277992 /nfs/dbraw/zinc/27/79/92/208277992.db2.gz LHXTZQHHVSXQQB-UHFFFAOYSA-N 0 0 356.469 6.043 10 0 FKAERN Cc1ccc2[nH]c(-c3ccccc3OCc3ccc(C(C)(C)C)cc3)nc2c1 ZINC000041006126 220927859 /nfs/dbraw/zinc/92/78/59/220927859.db2.gz WCCSTYCBXYVMFZ-UHFFFAOYSA-N 0 0 370.496 6.415 10 0 FKAERN CCCCOc1ccc(Br)cc1-c1nc2cc(C)ccc2[nH]1 ZINC000041006136 208278414 /nfs/dbraw/zinc/27/84/14/208278414.db2.gz GACWXFPBTXQLIH-UHFFFAOYSA-N 0 0 359.267 5.480 10 0 FKAERN CC(C)Oc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1 ZINC000041007127 205087269 /nfs/dbraw/zinc/08/72/69/205087269.db2.gz VVSKPPSIODYXSP-UHFFFAOYSA-N 0 0 374.234 5.235 10 0 FKAERN O=C(Nc1cccc(Cl)c1)c1cc2cc(Br)ccc2o1 ZINC000041007176 220927590 /nfs/dbraw/zinc/92/75/90/220927590.db2.gz LYVGLAIFSWGNMJ-UHFFFAOYSA-N 0 0 350.599 5.101 10 0 FKAERN O=C(Nc1cccc2ccccc21)c1cc2cc(Br)ccc2o1 ZINC000041007282 220927601 /nfs/dbraw/zinc/92/76/01/220927601.db2.gz ZGGGCRVMVIOSGH-UHFFFAOYSA-N 0 0 366.214 5.601 10 0 FKAERN CCCc1ccc(OC(=O)c2cc3cc(Br)ccc3o2)cc1 ZINC000041007413 220927488 /nfs/dbraw/zinc/92/74/88/220927488.db2.gz PHAHIGNDGAGFSG-UHFFFAOYSA-N 0 0 359.219 5.367 10 0 FKAERN CC(C)c1ccccc1OC(=O)c1cc2cc(Br)ccc2o1 ZINC000041007417 205087556 /nfs/dbraw/zinc/08/75/56/205087556.db2.gz NKNQYCCZKHPHOJ-UHFFFAOYSA-N 0 0 359.219 5.538 10 0 FKAERN CC(C)(C)c1ccccc1OC(=O)c1cc2cc(Br)ccc2o1 ZINC000041007419 205087791 /nfs/dbraw/zinc/08/77/91/205087791.db2.gz YUXKIDQAFWERNK-UHFFFAOYSA-N 0 0 373.246 5.712 10 0 FKAERN CC(C)(C)c1ccc(OC(=O)c2cc3cc(Br)ccc3o2)cc1 ZINC000041007423 211767573 /nfs/dbraw/zinc/76/75/73/211767573.db2.gz VMAPCFZDLQTJAI-UHFFFAOYSA-N 0 0 373.246 5.712 10 0 FKAERN O=C(Oc1ccccc1Cl)c1cc2cc(Br)ccc2o1 ZINC000041007429 211768013 /nfs/dbraw/zinc/76/80/13/211768013.db2.gz REKRLSAKSRHJHU-UHFFFAOYSA-N 0 0 351.583 5.068 10 0 FKAERN O=C(Oc1cccc(Cl)c1)c1cc2cc(Br)ccc2o1 ZINC000041007431 208278943 /nfs/dbraw/zinc/27/89/43/208278943.db2.gz MGIKIFFULVJNAM-UHFFFAOYSA-N 0 0 351.583 5.068 10 0 FKAERN O=C(Oc1ccc(Cl)cc1)c1cc2cc(Br)ccc2o1 ZINC000041007433 208278341 /nfs/dbraw/zinc/27/83/41/208278341.db2.gz LRMRNGWXGXEBSG-UHFFFAOYSA-N 0 0 351.583 5.068 10 0 FKAERN COc1ccc2sc(C(=O)Nc3ccccc3C(C)C)c(Cl)c2c1 ZINC000041007653 205087174 /nfs/dbraw/zinc/08/71/74/205087174.db2.gz OTAFOWMJPGEAPD-UHFFFAOYSA-N 0 0 359.878 5.939 10 0 FKAERN COc1ccc2sc(C(=O)Nc3c(C)cccc3C(C)C)c(Cl)c2c1 ZINC000041007661 220927418 /nfs/dbraw/zinc/92/74/18/220927418.db2.gz YJAYQIHXBCEIQW-UHFFFAOYSA-N 0 0 373.905 6.247 10 0 FKAERN CCc1cccc(CC)c1NC(=O)c1sc2ccc(OC)cc2c1Cl ZINC000041007663 220927147 /nfs/dbraw/zinc/92/71/47/220927147.db2.gz MSCSJYOMXGITSK-UHFFFAOYSA-N 0 0 373.905 5.940 10 0 FKAERN CCOc1ccccc1NC(=O)c1sc2ccc(OC)cc2c1Cl ZINC000041007671 205088042 /nfs/dbraw/zinc/08/80/42/205088042.db2.gz KPXLKAVBCQHHLD-UHFFFAOYSA-N 0 0 361.850 5.214 10 0 FKAERN CCOc1ccc(NC(=O)c2sc3ccc(OC)cc3c2Cl)cc1 ZINC000041007673 208279174 /nfs/dbraw/zinc/27/91/74/208279174.db2.gz PTHFYPUBGGCCQT-UHFFFAOYSA-N 0 0 361.850 5.214 10 0 FKAERN COc1ccc2sc(C(=O)Nc3ccccc3Cl)c(Cl)c2c1 ZINC000041007729 211767815 /nfs/dbraw/zinc/76/78/15/211767815.db2.gz APWXSXPOUHHNNI-UHFFFAOYSA-N 0 0 352.242 5.469 10 0 FKAERN COc1ccc2sc(C(=O)Nc3cccc(Cl)c3)c(Cl)c2c1 ZINC000041007731 208278552 /nfs/dbraw/zinc/27/85/52/208278552.db2.gz IOXVODZLFZFARO-UHFFFAOYSA-N 0 0 352.242 5.469 10 0 FKAERN COc1ccc2sc(C(=O)Nc3nc4ccccc4s3)c(Cl)c2c1 ZINC000041007799 205088064 /nfs/dbraw/zinc/08/80/64/205088064.db2.gz VVQNNDCRDQJJIB-UHFFFAOYSA-N 0 0 374.874 5.425 10 0 FKAERN COc1ccc2sc(C(=O)Nc3cc(Cl)ccc3C)c(Cl)c2c1 ZINC000041007841 205087268 /nfs/dbraw/zinc/08/72/68/205087268.db2.gz FGPBNHMCVBJZBH-UHFFFAOYSA-N 0 0 366.269 5.777 10 0 FKAERN COc1ccc2sc(C(=O)Nc3cccc4ccccc43)c(Cl)c2c1 ZINC000041007845 220927603 /nfs/dbraw/zinc/92/76/03/220927603.db2.gz YJZFCFVGOXUUFK-UHFFFAOYSA-N 0 0 367.857 5.969 10 0 FKAERN COc1ccc2sc(C(=O)Nc3cccc(C(C)=O)c3)c(Cl)c2c1 ZINC000041007891 208277714 /nfs/dbraw/zinc/27/77/14/208277714.db2.gz OZOQNUXSLZFCSD-UHFFFAOYSA-N 0 0 359.834 5.018 10 0 FKAERN COc1ccc2sc(C(=O)Nc3ccc(C(C)=O)cc3)c(Cl)c2c1 ZINC000041007893 211767699 /nfs/dbraw/zinc/76/76/99/211767699.db2.gz KIMIPXUGOUUDTF-UHFFFAOYSA-N 0 0 359.834 5.018 10 0 FKAERN COc1ccc2sc(C(=O)Nc3cc(C)ccc3OC)c(Cl)c2c1 ZINC000041007905 205087644 /nfs/dbraw/zinc/08/76/44/205087644.db2.gz PMVXJUFZFKOFAV-UHFFFAOYSA-N 0 0 361.850 5.133 10 0 FKAERN COc1ccc2sc(C(=O)Nc3ccc(Cl)cc3C)c(Cl)c2c1 ZINC000041007907 205087336 /nfs/dbraw/zinc/08/73/36/205087336.db2.gz HDAGQYLWVYVZRB-UHFFFAOYSA-N 0 0 366.269 5.777 10 0 FKAERN COc1ccc2sc(C(=O)Oc3ccc(C(C)C)cc3)c(Cl)c2c1 ZINC000041008019 205087775 /nfs/dbraw/zinc/08/77/75/205087775.db2.gz WHVOUBNPAZEVEA-UHFFFAOYSA-N 0 0 360.862 5.906 10 0 FKAERN COc1ccc2sc(C(=O)Oc3ccccc3C(C)C)c(Cl)c2c1 ZINC000041008021 205087183 /nfs/dbraw/zinc/08/71/83/205087183.db2.gz LCVYMUPRQRVILT-UHFFFAOYSA-N 0 0 360.862 5.906 10 0 FKAERN COc1ccc2sc(C(=O)Oc3ccccc3C(C)(C)C)c(Cl)c2c1 ZINC000041008023 211767026 /nfs/dbraw/zinc/76/70/26/211767026.db2.gz VHROWTKHPQQPIZ-UHFFFAOYSA-N 0 0 374.889 6.080 10 0 FKAERN COc1ccc2sc(C(=O)Oc3ccc(C(C)(C)C)cc3)c(Cl)c2c1 ZINC000041008027 208278058 /nfs/dbraw/zinc/27/80/58/208278058.db2.gz CSSWXNMYWLXFFV-UHFFFAOYSA-N 0 0 374.889 6.080 10 0 FKAERN COc1ccc2sc(C(=O)Oc3ccccc3Cl)c(Cl)c2c1 ZINC000041008033 205087356 /nfs/dbraw/zinc/08/73/56/205087356.db2.gz TVYBJOUAEZXMRO-UHFFFAOYSA-N 0 0 353.226 5.436 10 0 FKAERN COc1ccc2sc(C(=O)Oc3cccc(Cl)c3)c(Cl)c2c1 ZINC000041008035 220927584 /nfs/dbraw/zinc/92/75/84/220927584.db2.gz BWJITDAAGOKOOT-UHFFFAOYSA-N 0 0 353.226 5.436 10 0 FKAERN COc1ccc2sc(C(=O)Oc3ccc(Cl)cc3)c(Cl)c2c1 ZINC000041008037 208278502 /nfs/dbraw/zinc/27/85/02/208278502.db2.gz GVVQKPQJRLNJOX-UHFFFAOYSA-N 0 0 353.226 5.436 10 0 FKAERN COc1ccc2sc(C(=O)Oc3ccc(Cl)cc3C)c(Cl)c2c1 ZINC000041008047 220927762 /nfs/dbraw/zinc/92/77/62/220927762.db2.gz IKLNQHQCXTTZED-UHFFFAOYSA-N 0 0 367.253 5.744 10 0 FKAERN CCOc1ccc(-c2csc(NC(=O)c3ccc(CC)cc3)n2)cc1 ZINC000041008165 211767652 /nfs/dbraw/zinc/76/76/52/211767652.db2.gz QSEKJDXSARTXGD-UHFFFAOYSA-N 0 0 352.459 5.024 10 0 FKAERN CCOc1ccc(CCC(=O)NC2CCCCCCCCCCC2)cc1 ZINC000041008329 208277937 /nfs/dbraw/zinc/27/79/37/208277937.db2.gz ZCEIWHQLUDJWAH-UHFFFAOYSA-N 0 0 359.554 5.807 10 0 FKAERN CCOc1ccc(CCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000041008533 220927678 /nfs/dbraw/zinc/92/76/78/220927678.db2.gz OCCDMRBPANOMCJ-UHFFFAOYSA-N 0 0 366.486 5.089 10 0 FKAERN CCOc1ccc(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000041008565 208278519 /nfs/dbraw/zinc/27/85/19/208278519.db2.gz KVJGGLMXSDMPER-UHFFFAOYSA-N 0 0 371.786 5.329 10 0 FKAERN CCOc1ccc(CCC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1 ZINC000041008663 208278851 /nfs/dbraw/zinc/27/88/51/208278851.db2.gz YZEZBCQDPSJYBQ-UHFFFAOYSA-N 0 0 366.486 5.089 10 0 FKAERN CCc1sc(NC(=O)C(C)(C)C)nc1-c1ccc(Br)cc1 ZINC000041011331 208278957 /nfs/dbraw/zinc/27/89/57/208278957.db2.gz WPWYDHULUYTWNX-UHFFFAOYSA-N 0 0 367.312 5.120 10 0 FKAERN COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)C(C)(C)C ZINC000041011333 220927647 /nfs/dbraw/zinc/92/76/47/220927647.db2.gz PNYZWLLRKMVWNV-UHFFFAOYSA-N 0 0 371.502 5.065 10 0 FKAERN CCCCC(=O)Nc1nc(-c2ccc(Br)cc2)c(CC)s1 ZINC000041011343 205087677 /nfs/dbraw/zinc/08/76/77/205087677.db2.gz VPYAWZGKQOGMAC-UHFFFAOYSA-N 0 0 367.312 5.264 10 0 FKAERN CCCCC(=O)Nc1scc(-c2ccc3c(c2)CCCC3)c1C(=O)OC ZINC000041011345 220926995 /nfs/dbraw/zinc/92/69/95/220926995.db2.gz LLRFWTPMWPYEHO-UHFFFAOYSA-N 0 0 371.502 5.209 10 0 FKAERN CCc1sc(NC(=O)C=C(C)C)nc1-c1ccc(Br)cc1 ZINC000041011553 205087290 /nfs/dbraw/zinc/08/72/90/205087290.db2.gz LKGUUNQJOFEGIQ-UHFFFAOYSA-N 0 0 365.296 5.040 10 0 FKAERN CCCOc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2C)cc1 ZINC000041012631 208277804 /nfs/dbraw/zinc/27/78/04/208277804.db2.gz SEBCATCAJPRYGV-IZZDOVSWSA-N 0 0 374.278 5.198 10 0 FKAERN CCCOC(=O)Nc1scc(-c2ccc(C)cc2C)c1C(=O)OCC ZINC000041012945 208277841 /nfs/dbraw/zinc/27/78/41/208277841.db2.gz UEZTUUYQJNWGDJ-UHFFFAOYSA-N 0 0 361.463 5.167 10 0 FKAERN CCCOC(=O)Nc1scc(-c2ccc3c(c2)CCCC3)c1C(=O)OC ZINC000041012951 208278880 /nfs/dbraw/zinc/27/88/80/208278880.db2.gz PARWTUKPSHVHSB-UHFFFAOYSA-N 0 0 373.474 5.039 10 0 FKAERN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)Oc1ccccc1 ZINC000041012999 211767766 /nfs/dbraw/zinc/76/77/66/211767766.db2.gz CHLBBYRCTPDQDX-UHFFFAOYSA-N 0 0 350.443 5.300 10 0 FKAERN CCCCOC(=O)Nc1scc(-c2ccc(CC)cc2)c1C(=O)OC ZINC000041013027 205087369 /nfs/dbraw/zinc/08/73/69/205087369.db2.gz YXWPVJIPJZDEGY-UHFFFAOYSA-N 0 0 361.463 5.113 10 0 FKAERN CCCCOC(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 ZINC000041013030 208277833 /nfs/dbraw/zinc/27/78/33/208277833.db2.gz VXTCPNLFJTUQKL-UHFFFAOYSA-N 0 0 369.284 5.230 10 0 FKAERN CCOc1ccc(-c2nc(NC(=O)Nc3ccccc3)sc2C)cc1 ZINC000041013690 208278106 /nfs/dbraw/zinc/27/81/06/208278106.db2.gz SLIYZUVQNQXGBO-UHFFFAOYSA-N 0 0 353.447 5.161 10 0 FKAERN Cc1sc(NC(=O)Nc2cccc(Cl)c2)nc1-c1ccc(F)cc1 ZINC000041013805 205087124 /nfs/dbraw/zinc/08/71/24/205087124.db2.gz UUAGFGKYNIMFFQ-UHFFFAOYSA-N 0 0 361.829 5.555 10 0 FKAERN Cc1cc2sc(NC(=O)CCCOc3ccc(Cl)cc3)nc2c(C)c1 ZINC000041015529 208278778 /nfs/dbraw/zinc/27/87/78/208278778.db2.gz CYPFGGBYYJQUQL-UHFFFAOYSA-N 0 0 374.893 5.364 10 0 FKAERN Cc1cc(Br)ccc1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000041017428 211767861 /nfs/dbraw/zinc/76/78/61/211767861.db2.gz NFPLOPKQNHHOBJ-VMPITWQZSA-N 0 0 350.643 5.063 10 0 FKAERN COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)CC(C)C ZINC000041017957 208281093 /nfs/dbraw/zinc/28/10/93/208281093.db2.gz IJZYXZRNYOQLSJ-UHFFFAOYSA-N 0 0 371.502 5.065 10 0 FKAERN Cc1sc(NC(=O)CCc2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000041018727 211767306 /nfs/dbraw/zinc/76/73/06/211767306.db2.gz VEWKGZQCWSYKPU-UHFFFAOYSA-N 0 0 354.450 5.137 10 0 FKAERN Cc1sc(NC(=O)CCc2ccc(Cl)cc2)nc1-c1ccc(F)cc1 ZINC000041018844 205087920 /nfs/dbraw/zinc/08/79/20/205087920.db2.gz PFADIPKQZLVSEJ-UHFFFAOYSA-N 0 0 374.868 5.482 10 0 FKAERN Cc1cc2sc(NC(=O)CCc3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000041018939 208281100 /nfs/dbraw/zinc/28/11/00/208281100.db2.gz NMJVLQXQRODAGV-UHFFFAOYSA-N 0 0 366.530 5.782 10 0 FKAERN Cc1cc2sc(NC(=O)CCc3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000041019010 208279919 /nfs/dbraw/zinc/27/99/19/208279919.db2.gz FJCCTICLXMIWQK-UHFFFAOYSA-N 0 0 352.503 5.608 10 0 FKAERN FC(F)(F)c1ccc2nccc(Nc3cccc(Br)c3)c2c1 ZINC000041054647 208281313 /nfs/dbraw/zinc/28/13/13/208281313.db2.gz HKBPVFQSSYLKEX-UHFFFAOYSA-N 0 0 367.168 5.760 10 0 FKAERN FC(F)(F)c1ccc2nccc(Nc3ccccc3C(F)(F)F)c2c1 ZINC000041054692 205087539 /nfs/dbraw/zinc/08/75/39/205087539.db2.gz XYOJDLFVVUIRFK-UHFFFAOYSA-N 0 0 356.269 6.016 10 0 FKAERN FC(F)(F)c1ccc2nccc(Nc3ccccc3Br)c2c1 ZINC000041054712 205087505 /nfs/dbraw/zinc/08/75/05/205087505.db2.gz XEKONCJTERHUJF-UHFFFAOYSA-N 0 0 367.168 5.760 10 0 FKAERN FC(F)(F)c1ccc2c(c1)nccc2Nc1ccc(Br)cc1 ZINC000041054833 208280320 /nfs/dbraw/zinc/28/03/20/208280320.db2.gz JZDLWBNGNJUHRE-UHFFFAOYSA-N 0 0 367.168 5.760 10 0 FKAERN FC(F)(F)c1ccc2c(c1)nccc2Nc1cccc(Br)c1 ZINC000041054837 208280163 /nfs/dbraw/zinc/28/01/63/208280163.db2.gz GZHXFNGLXLDEFP-UHFFFAOYSA-N 0 0 367.168 5.760 10 0 FKAERN FC(F)(F)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc32)cc1 ZINC000041054896 208280591 /nfs/dbraw/zinc/28/05/91/208280591.db2.gz NZMIOSRQOFJXFR-UHFFFAOYSA-N 0 0 356.269 6.016 10 0 FKAERN FC(F)(F)c1ccc2c(c1)nccc2Nc1ccccc1Br ZINC000041054900 205087165 /nfs/dbraw/zinc/08/71/65/205087165.db2.gz OXFSSHDXKBAKRC-UHFFFAOYSA-N 0 0 367.168 5.760 10 0 FKAERN CC(C)OC(=O)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc32)cc1 ZINC000041054912 208279861 /nfs/dbraw/zinc/27/98/61/208279861.db2.gz CCWJBYKWJBMVNK-UHFFFAOYSA-N 0 0 374.362 5.562 10 0 FKAERN FC(F)(F)c1ccccc1Nc1ccnc2ccc(Br)cc21 ZINC000041055269 208280282 /nfs/dbraw/zinc/28/02/82/208280282.db2.gz RYCXQTIKJOZLLL-UHFFFAOYSA-N 0 0 367.168 5.760 10 0 FKAERN FC(F)(F)c1cccc(Nc2ccnc3ccc(Br)cc32)c1 ZINC000041055273 208279837 /nfs/dbraw/zinc/27/98/37/208279837.db2.gz ZESQVVZXZOEJRT-UHFFFAOYSA-N 0 0 367.168 5.760 10 0 FKAERN FC(F)(F)c1ccc(Nc2ccnc3ccc(Br)cc32)cc1 ZINC000041055284 205087469 /nfs/dbraw/zinc/08/74/69/205087469.db2.gz PQSCPTREMURQDJ-UHFFFAOYSA-N 0 0 367.168 5.760 10 0 FKAERN Cc1cc(Br)ccc1Nc1ccnc2c(C)c(Cl)ccc12 ZINC000041055508 208280619 /nfs/dbraw/zinc/28/06/19/208280619.db2.gz OFYCJCNPOSVLHB-UHFFFAOYSA-N 0 0 361.670 6.011 10 0 FKAERN COc1cc(Nc2ccnc3c(C)c(Cl)ccc23)c(OC)cc1Cl ZINC000041055522 208279776 /nfs/dbraw/zinc/27/97/76/208279776.db2.gz RVLYVXBPFIDGRW-UHFFFAOYSA-N 0 0 363.244 5.611 10 0 FKAERN O=C(Nc1ccnc2ccc(C(F)(F)F)cc21)c1cccc(Cl)c1 ZINC000041057162 211766990 /nfs/dbraw/zinc/76/69/90/211766990.db2.gz KVCYFTHPXSUMAR-UHFFFAOYSA-N 0 0 350.727 5.159 10 0 FKAERN CCc1ccc(/C=C/C(=O)Nc2ccnc3ccc(C(F)(F)F)cc32)cc1 ZINC000041057194 208280407 /nfs/dbraw/zinc/28/04/07/208280407.db2.gz IRTQASFMDULZQG-JXMROGBWSA-N 0 0 370.374 5.468 10 0 FKAERN CC(C)(C)c1ccc(C(=O)Nc2ccnc3ccc(C(F)(F)F)cc32)cc1 ZINC000041057206 208279605 /nfs/dbraw/zinc/27/96/05/208279605.db2.gz RSBICJQOSSSTEL-UHFFFAOYSA-N 0 0 372.390 5.803 10 0 FKAERN O=C(Nc1ccnc2cc(C(F)(F)F)ccc21)c1cccc(Cl)c1 ZINC000041057399 211767605 /nfs/dbraw/zinc/76/76/05/211767605.db2.gz AJWSLJMJYXDDPK-UHFFFAOYSA-N 0 0 350.727 5.159 10 0 FKAERN O=C(Nc1ccnc2cc(C(F)(F)F)ccc21)c1ccc(Cl)cc1 ZINC000041057411 208280462 /nfs/dbraw/zinc/28/04/62/208280462.db2.gz NWGSBYYFDNDBNT-UHFFFAOYSA-N 0 0 350.727 5.159 10 0 FKAERN CCc1ccc(/C=C/C(=O)Nc2ccnc3cc(C(F)(F)F)ccc32)cc1 ZINC000041057431 211767839 /nfs/dbraw/zinc/76/78/39/211767839.db2.gz JVLZPRLAVPBOTM-JXMROGBWSA-N 0 0 370.374 5.468 10 0 FKAERN CC(C)(C)c1ccc(C(=O)Nc2ccnc3cc(C(F)(F)F)ccc32)cc1 ZINC000041057443 208279966 /nfs/dbraw/zinc/27/99/66/208279966.db2.gz MTMPEPPAVLEVOB-UHFFFAOYSA-N 0 0 372.390 5.803 10 0 FKAERN O=C(Nc1ccnc2c1cccc2C(F)(F)F)c1cccc(Cl)c1 ZINC000041057635 205087861 /nfs/dbraw/zinc/08/78/61/205087861.db2.gz MITVLUHWLWNJRL-UHFFFAOYSA-N 0 0 350.727 5.159 10 0 FKAERN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)C1CCCCC1 ZINC000041085976 571107046 /nfs/dbraw/zinc/10/70/46/571107046.db2.gz FBQMHHQDZJXQIT-UHFFFAOYSA-N 0 0 353.853 5.402 10 0 FKAERN O=C(Nc1ccc2nc(-c3ccccc3F)oc2c1)c1ccc(Cl)cc1 ZINC000041085996 571106991 /nfs/dbraw/zinc/10/69/91/571106991.db2.gz JYIXOVJOLQQGJY-UHFFFAOYSA-N 0 0 366.779 5.540 10 0 FKAERN COc1ccc(-c2nc3ccc(NC(=O)CCc4ccccc4)cc3o2)cc1 ZINC000041086047 571107267 /nfs/dbraw/zinc/10/72/67/571107267.db2.gz WFOXCLDMQZLJQN-UHFFFAOYSA-N 0 0 372.424 5.075 10 0 FKAERN CCc1cc2c(s1)NC(CC)=N[C@@H]2SCC(=O)c1ccc(C)cc1 ZINC000041090523 220928929 /nfs/dbraw/zinc/92/89/29/220928929.db2.gz PJEXPLSBWWLVGP-GOSISDBHSA-N 0 0 358.532 5.277 10 0 FKAERN CCc1cc2c(s1)NC(CC)=N[C@H]2SCC(=O)c1ccc(C)cc1 ZINC000041090524 208280867 /nfs/dbraw/zinc/28/08/67/208280867.db2.gz PJEXPLSBWWLVGP-SFHVURJKSA-N 0 0 358.532 5.277 10 0 FKAERN CCCCC(=O)Nc1cnc(C)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041124318 208283151 /nfs/dbraw/zinc/28/31/51/208283151.db2.gz WSDORRCXQKQVNB-UHFFFAOYSA-N 0 0 374.897 5.086 10 0 FKAERN Cc1ccc(CNc2nc3ccccc3c(NCc3ccccc3)n2)cc1 ZINC000041151150 205088714 /nfs/dbraw/zinc/08/87/14/205088714.db2.gz HOCCIEDITRYLDV-UHFFFAOYSA-N 0 0 354.457 5.162 10 0 FKAERN Clc1cc(Cl)cc(Nc2nc3ccccc3c(NC3CCCC3)n2)c1 ZINC000041152171 205089189 /nfs/dbraw/zinc/08/91/89/205089189.db2.gz PQXDRLQVXKGCIQ-UHFFFAOYSA-N 0 0 373.287 6.035 10 0 FKAERN Clc1ccc(Nc2nc3ccccc3c(NC3CCCCC3)n2)cc1 ZINC000041152604 208283004 /nfs/dbraw/zinc/28/30/04/208283004.db2.gz SYXMYZFMMHBSRZ-UHFFFAOYSA-N 0 0 352.869 5.771 10 0 FKAERN Clc1ccccc1CNc1nc2ccccc2c(NC2CCCCC2)n1 ZINC000041152877 205088841 /nfs/dbraw/zinc/08/88/41/205088841.db2.gz GGTFUPYOGUDUQA-UHFFFAOYSA-N 0 0 366.896 5.640 10 0 FKAERN CC(C)COC(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 ZINC000041306262 205089670 /nfs/dbraw/zinc/08/96/70/205089670.db2.gz ANAWXXCODSNVLZ-UHFFFAOYSA-N 0 0 371.820 5.151 10 0 FKAERN Cc1cc2sc(NC(=O)c3cc4cc(Cl)ccc4o3)nc2c(C)c1 ZINC000041311383 205090275 /nfs/dbraw/zinc/09/02/75/205090275.db2.gz QLRLSSBQCWDKML-UHFFFAOYSA-N 0 0 356.834 5.565 10 0 FKAERN Clc1ccc(Cl)c2c(Br)c(Br)cnc12 ZINC000041702050 205091466 /nfs/dbraw/zinc/09/14/66/205091466.db2.gz KIFWOJUHHGEATN-UHFFFAOYSA-N 0 0 355.844 5.067 10 0 FKAERN Clc1cc2ncc(Br)c(Br)c2cc1Cl ZINC000041702057 208287754 /nfs/dbraw/zinc/28/77/54/208287754.db2.gz VMLASZQLYNPIBD-UHFFFAOYSA-N 0 0 355.844 5.067 10 0 FKAERN Clc1cc(Cl)c2ncc(Br)c(Br)c2c1 ZINC000041702065 205091604 /nfs/dbraw/zinc/09/16/04/205091604.db2.gz FDXCLBGAZPTWNH-UHFFFAOYSA-N 0 0 355.844 5.067 10 0 FKAERN Clc1ccc2c(Br)c(Br)cnc2c1Cl ZINC000041702073 208287160 /nfs/dbraw/zinc/28/71/60/208287160.db2.gz QJJIWVVRDXARCN-UHFFFAOYSA-N 0 0 355.844 5.067 10 0 FKAERN C[C@@H](N[C@@H](C)c1ccco1)c1ccc(Br)cc1Br ZINC000042307011 205096335 /nfs/dbraw/zinc/09/63/35/205096335.db2.gz QMYZTCJYSMOSJX-ZJUUUORDSA-N 0 0 373.088 5.216 10 0 FKAERN C[C@@H](N[C@@H](C)c1ccc(Br)cc1Br)c1ccco1 ZINC000042307014 205096390 /nfs/dbraw/zinc/09/63/90/205096390.db2.gz QMYZTCJYSMOSJX-VHSXEESVSA-N 0 0 373.088 5.216 10 0 FKAERN O=C(CCc1cccc(Cl)c1Cl)N1CCC[C@@H]1c1cccs1 ZINC000042847176 208298858 /nfs/dbraw/zinc/29/88/58/208298858.db2.gz PXUYEHAUXLBSID-CQSZACIVSA-N 0 0 354.302 5.351 10 0 FKAERN Nc1cc(N2CCCC2)nc2oc(-c3ccccc3)c(-c3ccccc3)c21 ZINC000043009971 211785570 /nfs/dbraw/zinc/78/55/70/211785570.db2.gz IHEKRMOMNGHRAB-UHFFFAOYSA-N 0 0 355.441 5.344 10 0 FKAERN CCCn1c(C)c(C(=O)c2ccc(CC)c3ccccc23)c2ccccc21 ZINC000043011585 220943841 /nfs/dbraw/zinc/94/38/41/220943841.db2.gz DGMWDWZKLFRCMQ-UHFFFAOYSA-N 0 0 355.481 6.306 10 0 FKAERN Cc1c(CC2CCN(C(=O)Nc3cccnc3)CC2)sc2ccccc12 ZINC000043078025 205100834 /nfs/dbraw/zinc/10/08/34/205100834.db2.gz NNBZAVBGFXRBDN-UHFFFAOYSA-N 0 0 365.502 5.091 10 0 FKAERN FC(F)(F)c1nn(-c2ccccc2)c2c1CCC/C2=C\c1ccccc1 ZINC000043463767 208304543 /nfs/dbraw/zinc/30/45/43/208304543.db2.gz JNTZWVPFZOCPFF-JQIJEIRASA-N 0 0 354.375 5.768 10 0 FKAERN CCCC1CCC(C2CCC(c3ccc(OC)c(F)c3F)CC2)CC1 ZINC000044137026 205107099 /nfs/dbraw/zinc/10/70/99/205107099.db2.gz FRGPBGWMABUJNC-UHFFFAOYSA-N 0 0 350.493 6.854 10 0 FKAERN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)OCC(Cl)(Cl)Cl ZINC000044857639 205112521 /nfs/dbraw/zinc/11/25/21/205112521.db2.gz RRWIYLOPOROEOD-UHFFFAOYSA-N 0 0 370.969 5.278 10 0 FKAERN COc1ccccc1CNc1nc(Nc2ccccc2C)nc2ccccc21 ZINC000045302576 208329871 /nfs/dbraw/zinc/32/98/71/208329871.db2.gz UJCSIJJTGHOFQB-UHFFFAOYSA-N 0 0 370.456 5.303 10 0 FKAERN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1CCC(C)CC1 ZINC000045374339 208331912 /nfs/dbraw/zinc/33/19/12/208331912.db2.gz JNKQKVOFGWASSH-UHFFFAOYSA-N 0 0 367.276 5.265 10 0 FKAERN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccnc(Cl)c1 ZINC000045840913 208340526 /nfs/dbraw/zinc/34/05/26/208340526.db2.gz MIPMQEAPFPCULK-UHFFFAOYSA-N 0 0 365.845 5.264 10 0 FKAERN Cc1nn(C)c2nc(OCc3cc(C)ccc3C)cc(-c3ccccc3)c12 ZINC000045995165 205128910 /nfs/dbraw/zinc/12/89/10/205128910.db2.gz RPGOPWBJUNZIQL-UHFFFAOYSA-N 0 0 357.457 5.140 10 0 FKAERN C[C@H](NC(=O)N1CCCCC[C@@H]1c1ccncc1)c1ccc(Cl)s1 ZINC000046598588 211841341 /nfs/dbraw/zinc/84/13/41/211841341.db2.gz YTWMZTGVGRGJRM-DZGCQCFKSA-N 0 0 363.914 5.184 10 0 FKAERN O=C(Nc1nonc1-c1ccc2c(c1)CCCC2)c1cccc2ccccc21 ZINC000047133460 208371968 /nfs/dbraw/zinc/37/19/68/208371968.db2.gz XFGMEAYETOPBPJ-UHFFFAOYSA-N 0 0 369.424 5.021 10 0 FKAERN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc2ccccc21 ZINC000047157706 205142546 /nfs/dbraw/zinc/14/25/46/205142546.db2.gz FFEXOZFLTBJFAC-UHFFFAOYSA-N 0 0 357.413 5.012 10 0 FKAERN Cc1ccc2c(Nc3ccc(Cl)c(C(F)(F)F)c3)cc(C)nc2n1 ZINC000047162447 211846180 /nfs/dbraw/zinc/84/61/80/211846180.db2.gz XXWJBXRVLGBEDR-UHFFFAOYSA-N 0 0 351.759 5.662 10 0 FKAERN O=C(COc1cccc(Cl)c1Cl)c1ccc(Br)s1 ZINC000047822515 208382972 /nfs/dbraw/zinc/38/29/72/208382972.db2.gz YWTJUHVLXDOZSC-UHFFFAOYSA-N 0 0 366.063 5.079 10 0 FKAERN O=C(COc1c(Cl)cccc1Cl)c1ccccc1Br ZINC000048403106 221012561 /nfs/dbraw/zinc/01/25/61/221012561.db2.gz BUDQXGAJYOGAJU-UHFFFAOYSA-N 0 0 360.034 5.018 10 0 FKAERN CCc1cccc(-n2c(SC)nnc2-c2cc3occc3n2C(C)C)c1 ZINC000049454115 205172077 /nfs/dbraw/zinc/17/20/77/205172077.db2.gz YOIMSGUBRPDJNE-UHFFFAOYSA-N 0 0 366.490 5.347 10 0 FKAERN Clc1nnc(Sc2ccccc2Br)c2ccccc12 ZINC000050530636 205178618 /nfs/dbraw/zinc/17/86/18/205178618.db2.gz GRRUUHFVSAIIPB-UHFFFAOYSA-N 0 0 351.656 5.197 10 0 FKAERN Clc1nc(CSc2ccccc2Br)nc2sccc21 ZINC000050841107 221032950 /nfs/dbraw/zinc/03/29/50/221032950.db2.gz MQOYJWJJSDTLHE-UHFFFAOYSA-N 0 0 371.712 5.400 10 0 FKAERN Nc1onc(-c2ccc(Cl)s2)c1-c1ccc(Br)cc1 ZINC000051172380 221034514 /nfs/dbraw/zinc/03/45/14/221034514.db2.gz MDQSBKXISQCBNZ-UHFFFAOYSA-N 0 0 355.644 5.068 10 0 FKAERN Nc1onc(-c2ccc(Cl)s2)c1-c1cccc(Br)c1 ZINC000051172406 206124708 /nfs/dbraw/zinc/12/47/08/206124708.db2.gz RPPQIOOBSWKXQP-UHFFFAOYSA-N 0 0 355.644 5.068 10 0 FKAERN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2cccs2)[nH]n1 ZINC000051315656 205181970 /nfs/dbraw/zinc/18/19/70/205181970.db2.gz YANBQNRURKSLFK-UHFFFAOYSA-N 0 0 361.426 5.183 10 0 FKAERN S=C1N=C(c2ccccc2)C[C@@H](c2ccc(OCc3ccccc3)cc2)N1 ZINC000053992976 221049834 /nfs/dbraw/zinc/04/98/34/221049834.db2.gz VKTMXAQAFFKVFQ-QFIPXVFZSA-N 0 0 372.493 5.237 10 0 FKAERN S=C1N=C(c2ccccc2)C[C@H](c2ccc(OCc3ccccc3)cc2)N1 ZINC000053992978 221049111 /nfs/dbraw/zinc/04/91/11/221049111.db2.gz VKTMXAQAFFKVFQ-JOCHJYFZSA-N 0 0 372.493 5.237 10 0 FKAERN Cc1ccc(-n2c(=O)c3c(-c4cccs4)csc3[nH]c2=S)cc1 ZINC000053994294 208452512 /nfs/dbraw/zinc/45/25/12/208452512.db2.gz FHKCDHZLUVOEJC-UHFFFAOYSA-N 0 0 356.497 5.147 10 0 FKAERN O=C([O-])[C@H](c1ccccc1)[C@H]([NH2+]Cc1ccccc1)c1ccc(Cl)cc1 ZINC000053995115 221048940 /nfs/dbraw/zinc/04/89/40/221048940.db2.gz MDSVSJKJAFJCIT-NHCUHLMSSA-N 0 0 365.860 5.039 10 0 FKAERN O=C([O-])[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1ccccc1)c1ccc(Cl)cc1 ZINC000053995116 205197409 /nfs/dbraw/zinc/19/74/09/205197409.db2.gz MDSVSJKJAFJCIT-SFTDATJTSA-N 0 0 365.860 5.039 10 0 FKAERN O=C([O-])[C@@H](c1ccccc1)[C@H]([NH2+]Cc1ccccc1)c1ccc(Cl)cc1 ZINC000053995117 208451404 /nfs/dbraw/zinc/45/14/04/208451404.db2.gz MDSVSJKJAFJCIT-LEWJYISDSA-N 0 0 365.860 5.039 10 0 FKAERN FC(F)(F)c1ccccc1Nc1ccnc2cc(Br)ccc21 ZINC000054202319 205198654 /nfs/dbraw/zinc/19/86/54/205198654.db2.gz FSLPYMZGZHCGIH-UHFFFAOYSA-N 0 0 367.168 5.760 10 0 FKAERN FC(F)(F)c1ccc(Nc2ccnc3cc(Br)ccc32)cc1 ZINC000054202327 221051287 /nfs/dbraw/zinc/05/12/87/221051287.db2.gz QEBOYSLOZCVVGV-UHFFFAOYSA-N 0 0 367.168 5.760 10 0 FKAERN O=C(Nc1ccc(N2CCCCC2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000054581012 136125536 /nfs/dbraw/zinc/12/55/36/136125536.db2.gz GWGGBSFKVYCOID-UHFFFAOYSA-N 0 0 364.276 5.628 10 0 FKAERN Cc1c(-c2ccc(Br)cc2)nc2sc3cc(C)c(C)cc3n12 ZINC000054643876 221054392 /nfs/dbraw/zinc/05/43/92/221054392.db2.gz OXLPPLPFWCSXQB-UHFFFAOYSA-N 0 0 371.303 5.904 10 0 FKAERN Cc1c2nc(NCC(=O)c3ccccc3Cl)sc2ccc1Cl ZINC000054643918 205201852 /nfs/dbraw/zinc/20/18/52/205201852.db2.gz IQUPTFQSNHCLPQ-UHFFFAOYSA-N 0 0 351.258 5.206 10 0 FKAERN Cc1c2nc(NCC(=O)c3ccc(Cl)cc3)sc2ccc1Cl ZINC000054643920 205201502 /nfs/dbraw/zinc/20/15/02/205201502.db2.gz JYTYLGBINPHQCH-UHFFFAOYSA-N 0 0 351.258 5.206 10 0 FKAERN O=C(NC1CCCCCCCCCCC1)c1cc2cc(Cl)ccc2o1 ZINC000054644550 205202054 /nfs/dbraw/zinc/20/20/54/205202054.db2.gz AYEOVNLLJTUSLG-UHFFFAOYSA-N 0 0 361.913 6.489 10 0 FKAERN CC(C)c1cccc(C(C)C)c1NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000054644552 221054537 /nfs/dbraw/zinc/05/45/37/221054537.db2.gz YVPDEAPIRGYHAP-UHFFFAOYSA-N 0 0 355.865 6.585 10 0 FKAERN CCCCCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 ZINC000054644559 205202562 /nfs/dbraw/zinc/20/25/62/205202562.db2.gz MVJCXXXJXCQXBB-UHFFFAOYSA-N 0 0 357.837 5.908 10 0 FKAERN O=C(Nc1nc(-c2ccccc2)cs1)c1cc2cc(Cl)ccc2o1 ZINC000054644596 221054557 /nfs/dbraw/zinc/05/45/57/221054557.db2.gz BSLGYQMSTCZOBW-UHFFFAOYSA-N 0 0 354.818 5.462 10 0 FKAERN Cc1ccc(-c2csc(NC(=O)c3cc4cc(Cl)ccc4o3)n2)cc1 ZINC000054644600 221054292 /nfs/dbraw/zinc/05/42/92/221054292.db2.gz JCLRPPNQGRBBJA-UHFFFAOYSA-N 0 0 368.845 5.770 10 0 FKAERN Cc1sc(NC(=O)c2cc3cc(Cl)ccc3o2)nc1-c1ccccc1 ZINC000054644643 211930709 /nfs/dbraw/zinc/93/07/09/211930709.db2.gz BVOTUEIBAJVRBR-UHFFFAOYSA-N 0 0 368.845 5.770 10 0 FKAERN CCc1ccc2oc(C(=O)NC3CCCCCCCCCCC3)c(C)c2c1 ZINC000054644718 205201483 /nfs/dbraw/zinc/20/14/83/205201483.db2.gz LGLORWMMOHVYBN-UHFFFAOYSA-N 0 0 369.549 6.707 10 0 FKAERN CCCCOc1ccc(NC(=O)c2oc3ccc(CC)cc3c2C)cc1 ZINC000054644746 211930448 /nfs/dbraw/zinc/93/04/48/211930448.db2.gz RVVUGZYRJIVVHK-UHFFFAOYSA-N 0 0 351.446 5.735 10 0 FKAERN CCc1ccc2oc(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)c(C)c2c1 ZINC000054644774 205202318 /nfs/dbraw/zinc/20/23/18/205202318.db2.gz ZOKSFJFNDMBQCZ-UHFFFAOYSA-N 0 0 365.429 5.121 10 0 FKAERN CCc1ccc2oc(C(=O)NC(c3ccccc3)c3ccccc3)c(C)c2c1 ZINC000054644789 221053904 /nfs/dbraw/zinc/05/39/04/221053904.db2.gz RKXJHCLRQYADBR-UHFFFAOYSA-N 0 0 369.464 5.823 10 0 FKAERN CCc1ccc2oc(C(=O)Nc3cccc(Br)c3)c(C)c2c1 ZINC000054644795 221054331 /nfs/dbraw/zinc/05/43/31/221054331.db2.gz UCWAFPJJXCDKAT-UHFFFAOYSA-N 0 0 358.235 5.318 10 0 FKAERN CCc1ccc2oc(C(=O)Nc3nc(-c4ccccc4)cs3)c(C)c2c1 ZINC000054644824 205201549 /nfs/dbraw/zinc/20/15/49/205201549.db2.gz BVXOYLWDKQVIPL-UHFFFAOYSA-N 0 0 362.454 5.679 10 0 FKAERN CCc1ccc2oc(C(=O)Nc3ccc(C)cc3Br)c(C)c2c1 ZINC000054644846 211930161 /nfs/dbraw/zinc/93/01/61/211930161.db2.gz DHCWZBUVPHZPRY-UHFFFAOYSA-N 0 0 372.262 5.627 10 0 FKAERN CCc1ccc2oc(C(=O)Nc3cc(OC)c(Cl)cc3OC)c(C)c2c1 ZINC000054644848 205201472 /nfs/dbraw/zinc/20/14/72/205201472.db2.gz WTYWWAXGCQTZGL-UHFFFAOYSA-N 0 0 373.836 5.227 10 0 FKAERN CCc1ccc2oc(C(=O)Nc3ccc(N(CC)CC)cc3)c(C)c2c1 ZINC000054644867 221053864 /nfs/dbraw/zinc/05/38/64/221053864.db2.gz RZLPUKTZRMTQOH-UHFFFAOYSA-N 0 0 350.462 5.402 10 0 FKAERN CCc1ccc2oc(C(=O)Nc3ccc(N4CCCCC4)cc3)c(C)c2c1 ZINC000054644875 535833566 /nfs/dbraw/zinc/83/35/66/535833566.db2.gz JCEMFZLSKJLJQB-UHFFFAOYSA-N 0 0 362.473 5.546 10 0 FKAERN CCc1ccc2oc(C(=O)Nc3cc(C)c(Cl)cc3OC)c(C)c2c1 ZINC000054644886 211930527 /nfs/dbraw/zinc/93/05/27/211930527.db2.gz JSIHRAFYIRCRED-UHFFFAOYSA-N 0 0 357.837 5.526 10 0 FKAERN CCc1ccc2oc(C(=O)Nc3nnc(C4CCCCC4)s3)c(C)c2c1 ZINC000054644918 211929802 /nfs/dbraw/zinc/92/98/02/211929802.db2.gz KOOHHUHGUZYWLS-UHFFFAOYSA-N 0 0 369.490 5.455 10 0 FKAERN CCc1ccc2oc(C(=O)Nc3nnc(C(CC)CC)s3)c(C)c2c1 ZINC000054644958 205202082 /nfs/dbraw/zinc/20/20/82/205202082.db2.gz PCNUOPLBPVPRDK-UHFFFAOYSA-N 0 0 357.479 5.311 10 0 FKAERN CCc1ccc2oc(C(=O)Nc3ccc(Br)cc3C)c(C)c2c1 ZINC000054644962 221053971 /nfs/dbraw/zinc/05/39/71/221053971.db2.gz ODLVJKOSUAGROX-UHFFFAOYSA-N 0 0 372.262 5.627 10 0 FKAERN Cc1ccc(CN(Cc2ccncc2)Cc2ccc3ccccc3n2)s1 ZINC000055243168 205211409 /nfs/dbraw/zinc/21/14/09/205211409.db2.gz QZXIXFXTHWMEHW-UHFFFAOYSA-N 0 0 359.498 5.202 10 0 FKAERN C[C@H](c1ccncn1)N(C)Cc1ccc(Sc2ccc(Cl)cc2)o1 ZINC000055361007 205216675 /nfs/dbraw/zinc/21/66/75/205216675.db2.gz DJBIJJRWBAUHQH-CYBMUJFWSA-N 0 0 359.882 5.067 10 0 FKAERN FC(F)(F)c1ccc(Cl)c(Nc2nc(Cl)c3c(n2)CCCC3)c1 ZINC000057343417 206784026 /nfs/dbraw/zinc/78/40/26/206784026.db2.gz CWTXFCUNQGQOLP-UHFFFAOYSA-N 0 0 362.182 5.425 10 0 FKAERN FC(F)(F)c1ccccc1CNc1nc(-c2ccc(Cl)cc2)no1 ZINC000057354142 263412457 /nfs/dbraw/zinc/41/24/57/263412457.db2.gz ZUYZFPBRPYIHOF-UHFFFAOYSA-N 0 0 353.731 5.021 10 0 FKAERN FC(F)(F)c1cccc(CNc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000057354150 263412903 /nfs/dbraw/zinc/41/29/03/263412903.db2.gz HWBIFNXUTMXJPM-UHFFFAOYSA-N 0 0 353.731 5.021 10 0 FKAERN O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000057412123 205238969 /nfs/dbraw/zinc/23/89/69/205238969.db2.gz IONVQFPILLUMTL-UHFFFAOYSA-N 0 0 365.742 5.001 10 0 FKAERN O=C(Nc1cc(Cl)ccc1F)c1cc(-c2cccc3ccccc32)[nH]n1 ZINC000057413175 221088292 /nfs/dbraw/zinc/08/82/92/221088292.db2.gz OSIKUGJVBMVRIK-UHFFFAOYSA-N 0 0 365.795 5.275 10 0 FKAERN C[C@H](Nc1ccccc1N1CCCCC1)c1ccc(Br)s1 ZINC000058030155 136130407 /nfs/dbraw/zinc/13/04/07/136130407.db2.gz KNVGPLMMPZWPTR-ZDUSSCGKSA-N 0 0 365.340 5.674 10 0 FKAERN C[C@@H](Nc1ccccc1N1CCCCC1)c1ccc(Br)s1 ZINC000058030165 136130410 /nfs/dbraw/zinc/13/04/10/136130410.db2.gz KNVGPLMMPZWPTR-CYBMUJFWSA-N 0 0 365.340 5.674 10 0 FKAERN Cc1cccc(NC(=O)c2ccccc2NC(=O)/C=C\c2ccccc2)c1C ZINC000058867583 212014359 /nfs/dbraw/zinc/01/43/59/212014359.db2.gz MRILTEDKFWJBGS-NXVVXOECSA-N 0 0 370.452 5.208 10 0 FKAERN Cc1ccc(NC(=S)N(Cc2ccccc2)Cc2cccc(C)c2)cc1 ZINC000058981885 571133969 /nfs/dbraw/zinc/13/39/69/571133969.db2.gz PZAGNUJNNKZIJI-UHFFFAOYSA-N 0 0 360.526 5.703 10 0 FKAERN CCCC1CCC(c2cc(F)c(I)c(F)c2)CC1 ZINC000059030614 205280457 /nfs/dbraw/zinc/28/04/57/205280457.db2.gz SQYYCSHUGCWURO-UHFFFAOYSA-N 0 0 364.217 5.643 10 0 FKAERN Cc1ccc(Br)cc1NC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000059264094 205280695 /nfs/dbraw/zinc/28/06/95/205280695.db2.gz ZCJHHXYGRAQBSN-NSHDSACASA-N 0 0 367.674 5.294 10 0 FKAERN Cc1ccc(Br)cc1NC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000059264096 205280280 /nfs/dbraw/zinc/28/02/80/205280280.db2.gz ZCJHHXYGRAQBSN-LLVKDONJSA-N 0 0 367.674 5.294 10 0 FKAERN CCCCCC1CCC(c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1 ZINC000059269579 221125707 /nfs/dbraw/zinc/12/57/07/221125707.db2.gz PRYCYWMMSZSXBK-UHFFFAOYSA-N 0 0 360.463 7.625 10 0 FKAERN CCCCc1sc(NC(=O)/C=C/c2ccccc2)nc1-c1ccccc1 ZINC000059482543 212017598 /nfs/dbraw/zinc/01/75/98/212017598.db2.gz BORUBBDBUVSZKN-FOCLMDBBSA-N 0 0 362.498 5.805 10 0 FKAERN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc2c(c1)OCO2 ZINC000060391785 221131437 /nfs/dbraw/zinc/13/14/37/221131437.db2.gz DCBFHBWQJVCCLF-UHFFFAOYSA-N 0 0 367.788 5.113 10 0 FKAERN COc1ccc2cc([C@H](C)C(=O)Nc3cccc(Cl)c3Cl)ccc2c1 ZINC000060526358 212022377 /nfs/dbraw/zinc/02/23/77/212022377.db2.gz VKMKRTMPNAGIDQ-LBPRGKRZSA-N 0 0 374.267 5.897 10 0 FKAERN CN1c2ccc(Br)cc2Sc2cc(Br)ccc21 ZINC000064469006 136133215 /nfs/dbraw/zinc/13/32/15/136133215.db2.gz MCAPNDGAMBCNKU-UHFFFAOYSA-N 0 0 371.097 5.444 10 0 FKAERN Cc1ccc2nc(-c3cccc(Br)c3)cc(-c3ccccc3)c2c1 ZINC000064549257 205300367 /nfs/dbraw/zinc/30/03/67/205300367.db2.gz KYSPZSBIINNOEV-UHFFFAOYSA-N 0 0 374.281 6.640 10 0 FKAERN COC(=O)CC1=CC(SCc2ccccc2Cl)=Nc2ccccc2N1 ZINC000064661258 571238354 /nfs/dbraw/zinc/23/83/54/571238354.db2.gz OIDPKFQRZDJTIK-UHFFFAOYSA-N 0 0 372.877 5.176 10 0 FKAERN CCc1nc(-c2ccc(-c3noc(/C=C/c4cccs4)n3)cc2)cs1 ZINC000064669178 221150288 /nfs/dbraw/zinc/15/02/88/221150288.db2.gz BEMCNRLFFLNTNE-MDZDMXLPSA-N 0 0 365.483 5.654 10 0 FKAERN CCc1cccc(NC(=O)CCc2c(-c3ccccc3)nc3ccccn32)c1 ZINC000064675867 221150476 /nfs/dbraw/zinc/15/04/76/221150476.db2.gz VJRASGNOXBZVNZ-UHFFFAOYSA-N 0 0 369.468 5.135 10 0 FKAERN CCc1ccc(CNc2nc(CC)nc3c(-c4ccccc4)noc32)cc1 ZINC000064835287 212045659 /nfs/dbraw/zinc/04/56/59/212045659.db2.gz DJBBCKABDFJXGK-UHFFFAOYSA-N 0 0 358.445 5.022 10 0 FKAERN CCOC(=O)c1sc(COc2ccc(-c3ccc(C)cc3)cc2)nc1C ZINC000064872549 212046237 /nfs/dbraw/zinc/04/62/37/212046237.db2.gz ZIZZUYNYINDULV-UHFFFAOYSA-N 0 0 367.470 5.183 10 0 FKAERN CCc1ccc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000064981935 205312618 /nfs/dbraw/zinc/31/26/18/205312618.db2.gz OICFDUYTBNJBFM-NSHDSACASA-N 0 0 371.786 5.327 10 0 FKAERN Cc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC000064985149 205312836 /nfs/dbraw/zinc/31/28/36/205312836.db2.gz XTPUHLPLYBBVQE-RMKNXTFCSA-N 0 0 350.643 5.063 10 0 FKAERN CCCCC1CCC(C(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000064985322 221162429 /nfs/dbraw/zinc/16/24/29/221162429.db2.gz SZLSURWSVQMSEA-UHFFFAOYSA-N 0 0 372.734 6.038 10 0 FKAERN O=C(CCc1ccc(Cl)cc1)Nc1ccc(Br)cc1Cl ZINC000064985336 205313310 /nfs/dbraw/zinc/31/33/10/205313310.db2.gz QGSXFGQSQQLBPC-UHFFFAOYSA-N 0 0 373.077 5.327 10 0 FKAERN O=C(CCc1cccc(Cl)c1)Nc1ccc(Br)cc1Cl ZINC000064985370 221162522 /nfs/dbraw/zinc/16/25/22/221162522.db2.gz MDFBVOSOTYSTJK-UHFFFAOYSA-N 0 0 373.077 5.327 10 0 FKAERN CCCCc1ccc(NC(=O)CCc2ccccc2)c(Br)c1 ZINC000064985477 221162470 /nfs/dbraw/zinc/16/24/70/221162470.db2.gz AXOHNGGGGHHSOY-UHFFFAOYSA-N 0 0 360.295 5.363 10 0 FKAERN CCCCc1ccc(NC(=O)c2ccccc2Cl)c(Br)c1 ZINC000064985498 208629354 /nfs/dbraw/zinc/62/93/54/208629354.db2.gz NNCDAJNFOKWSRG-UHFFFAOYSA-N 0 0 366.686 5.697 10 0 FKAERN CCCCc1ccc(NC(=O)c2ccc(OC)cc2)c(Br)c1 ZINC000064985509 221162556 /nfs/dbraw/zinc/16/25/56/221162556.db2.gz VVCKLTYMJHNBOW-UHFFFAOYSA-N 0 0 362.267 5.053 10 0 FKAERN CCCCc1ccc(NC(=O)c2ccccc2OC)c(Br)c1 ZINC000064985511 221162794 /nfs/dbraw/zinc/16/27/94/221162794.db2.gz WWZGEISQQUUVOX-UHFFFAOYSA-N 0 0 362.267 5.053 10 0 FKAERN CCCCc1ccc(NC(=O)c2cccc(OC)c2)c(Br)c1 ZINC000064985561 221162567 /nfs/dbraw/zinc/16/25/67/221162567.db2.gz GXLPIZQILRYKAU-UHFFFAOYSA-N 0 0 362.267 5.053 10 0 FKAERN CCCCc1ccc(NC(=O)c2ccc(C)c(C)c2)c(Br)c1 ZINC000064985566 221162834 /nfs/dbraw/zinc/16/28/34/221162834.db2.gz LDPCNYYIWZKNOH-UHFFFAOYSA-N 0 0 360.295 5.661 10 0 FKAERN CCCCc1ccc(NC(=O)c2ccccc2F)c(Br)c1 ZINC000064985573 221162189 /nfs/dbraw/zinc/16/21/89/221162189.db2.gz BLKHEVYALWIBAJ-UHFFFAOYSA-N 0 0 350.231 5.183 10 0 FKAERN CCCCc1ccc(NC(=O)/C=C/c2ccccc2)c(Br)c1 ZINC000064985589 208629348 /nfs/dbraw/zinc/62/93/48/208629348.db2.gz YKYKHKLXSGPHCV-ACCUITESSA-N 0 0 358.279 5.444 10 0 FKAERN CCCCc1ccc(NC(=O)/C=C/c2ccc(C)cc2)c(Br)c1 ZINC000064985626 221162561 /nfs/dbraw/zinc/16/25/61/221162561.db2.gz YCGYMOAKDACQHI-ACCUITESSA-N 0 0 372.306 5.752 10 0 FKAERN CCCCc1ccc(NC(=O)c2cc3ccccc3o2)c(Br)c1 ZINC000064985680 205312710 /nfs/dbraw/zinc/31/27/10/205312710.db2.gz AHDOIHUOMBXTQV-UHFFFAOYSA-N 0 0 372.262 5.790 10 0 FKAERN CCCCc1ccc(NC(=O)c2cccc(F)c2)c(Br)c1 ZINC000064999947 221163170 /nfs/dbraw/zinc/16/31/70/221163170.db2.gz FRUAWEHLFNMTJG-UHFFFAOYSA-N 0 0 350.231 5.183 10 0 FKAERN CCCCc1ccc(NC(=O)CCc2ccc(C)cc2)c(Br)c1 ZINC000064999979 205314294 /nfs/dbraw/zinc/31/42/94/205314294.db2.gz WGPAAWURDVWZCI-UHFFFAOYSA-N 0 0 374.322 5.671 10 0 FKAERN CCCCc1ccc(NC(=O)c2ccc(CC)cc2)c(Br)c1 ZINC000065000007 221163274 /nfs/dbraw/zinc/16/32/74/221163274.db2.gz KPGFHZUUPPBFKL-UHFFFAOYSA-N 0 0 360.295 5.606 10 0 FKAERN CCc1ccc(NC(=O)Cc2cccc3ccccc32)c(Br)c1 ZINC000065000215 221163177 /nfs/dbraw/zinc/16/31/77/221163177.db2.gz OKEBJBAPNFZTBP-UHFFFAOYSA-N 0 0 368.274 5.346 10 0 FKAERN CCc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(Br)c1 ZINC000065000286 205314487 /nfs/dbraw/zinc/31/44/87/205314487.db2.gz PNTJXBNFTBEDFA-UHFFFAOYSA-N 0 0 373.077 5.571 10 0 FKAERN CCc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1 ZINC000065000287 221163174 /nfs/dbraw/zinc/16/31/74/221163174.db2.gz MXNSBRXXMGXZSJ-UHFFFAOYSA-N 0 0 360.295 5.561 10 0 FKAERN CCc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000065000290 205314453 /nfs/dbraw/zinc/31/44/53/205314453.db2.gz CZKXOCIBQRWGRO-UHFFFAOYSA-N 0 0 373.077 5.571 10 0 FKAERN CCc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)c(Br)c1 ZINC000065000371 221163148 /nfs/dbraw/zinc/16/31/48/221163148.db2.gz SMBCVJNEDJVHLT-UXBLZVDNSA-N 0 0 364.670 5.317 10 0 FKAERN CCc1ccc(NC(=O)/C=C/c2ccccc2Cl)c(Br)c1 ZINC000065000373 205314781 /nfs/dbraw/zinc/31/47/81/205314781.db2.gz OCQUQSPWOXQLSJ-CSKARUKUSA-N 0 0 364.670 5.317 10 0 FKAERN CCOc1ccc(/C=C/C(=O)Nc2ccc(CC)cc2Br)cc1 ZINC000065000400 205313736 /nfs/dbraw/zinc/31/37/36/205313736.db2.gz OGBFHZDRDPCYEO-XYOKQWHBSA-N 0 0 374.278 5.062 10 0 FKAERN CCc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)c(Br)c1 ZINC000065000818 205314119 /nfs/dbraw/zinc/31/41/19/205314119.db2.gz IUNKYDHXRRIIKZ-VQHVLOKHSA-N 0 0 364.670 5.317 10 0 FKAERN CCc1ccc(NC(=O)c2cccc3ccccc32)c(Br)c1 ZINC000065000847 208629815 /nfs/dbraw/zinc/62/98/15/208629815.db2.gz HONKCTPLZQGGJC-UHFFFAOYSA-N 0 0 354.247 5.417 10 0 FKAERN CCc1ccc(NC(=O)CSc2ccc(C)cc2)c(Br)c1 ZINC000065000856 221163259 /nfs/dbraw/zinc/16/32/59/221163259.db2.gz RJDUTCZEOXJZBV-UHFFFAOYSA-N 0 0 364.308 5.051 10 0 FKAERN CCCCC1CCC(C(=O)Nc2ccc(CC)cc2Br)CC1 ZINC000065000878 205313933 /nfs/dbraw/zinc/31/39/33/205313933.db2.gz BPNYTFKCFOGZQG-UHFFFAOYSA-N 0 0 366.343 5.947 10 0 FKAERN CCOc1ccccc1/C=C/C(=O)Nc1ccc(CC)cc1Br ZINC000065000890 205314614 /nfs/dbraw/zinc/31/46/14/205314614.db2.gz NIAFZDGGRAGYPZ-ZRDIBKRKSA-N 0 0 374.278 5.062 10 0 FKAERN CCc1ccc(NC(=O)CCc2ccc(Cl)cc2)c(Br)c1 ZINC000065000905 205314189 /nfs/dbraw/zinc/31/41/89/205314189.db2.gz ZYDMBHFPEGCXRB-UHFFFAOYSA-N 0 0 366.686 5.236 10 0 FKAERN CCc1ccc(NC(=O)CCc2cccc(Cl)c2)c(Br)c1 ZINC000065000961 221163093 /nfs/dbraw/zinc/16/30/93/221163093.db2.gz ZDLBSRWRLFHLSW-UHFFFAOYSA-N 0 0 366.686 5.236 10 0 FKAERN CC(C)(C)c1ccc(NC(=O)CCc2ccccc2)c(Br)c1 ZINC000065001126 221163165 /nfs/dbraw/zinc/16/31/65/221163165.db2.gz DAFFVWUHZZTVEI-UHFFFAOYSA-N 0 0 360.295 5.318 10 0 FKAERN Cc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2Br)cc1C ZINC000065001254 205314246 /nfs/dbraw/zinc/31/42/46/205314246.db2.gz OTICPFTWDRWIPN-UHFFFAOYSA-N 0 0 360.295 5.616 10 0 FKAERN CC(C)(C)c1ccc(NC(=O)c2ccccc2F)c(Br)c1 ZINC000065001262 205314347 /nfs/dbraw/zinc/31/43/47/205314347.db2.gz ILDNDQUWGFOOQK-UHFFFAOYSA-N 0 0 350.231 5.138 10 0 FKAERN CCc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000065001758 205313863 /nfs/dbraw/zinc/31/38/63/205313863.db2.gz WBWHCSNPLFYBJZ-UHFFFAOYSA-N 0 0 360.295 5.561 10 0 FKAERN O=c1nc(-c2cccc3ccccc32)[nH]c2sc(-c3ccccc3)cc21 ZINC000065002108 205314340 /nfs/dbraw/zinc/31/43/40/205314340.db2.gz WUYDSHCHNIVRNB-UHFFFAOYSA-N 0 0 354.434 5.472 10 0 FKAERN O=c1nc(-c2ccc(Cl)cc2Cl)[nH]c2sc(-c3ccccc3)cc21 ZINC000065002771 205313670 /nfs/dbraw/zinc/31/36/70/205313670.db2.gz WFIXBJRWCHVZEW-UHFFFAOYSA-N 0 0 373.264 5.625 10 0 FKAERN CC(C)(C)c1ccc2nc(NC(=O)/C=C/c3ccccc3Cl)sc2c1 ZINC000065003355 205313685 /nfs/dbraw/zinc/31/36/85/205313685.db2.gz PRDADMINFAOZRZ-DHZHZOJOSA-N 0 0 370.905 5.899 10 0 FKAERN Cc1ccc(/C=C/C(=O)Nc2nc3ccc(C(C)(C)C)cc3s2)cc1 ZINC000065003388 205313617 /nfs/dbraw/zinc/31/36/17/205313617.db2.gz CJTRJODTEYPLMC-FMIVXFBMSA-N 0 0 350.487 5.554 10 0 FKAERN CC(C)(C)c1ccc2nc(NC(=O)/C=C/c3cccc(Cl)c3)sc2c1 ZINC000065003513 205313708 /nfs/dbraw/zinc/31/37/08/205313708.db2.gz NLIOCYUGODVQKT-JXMROGBWSA-N 0 0 370.905 5.899 10 0 FKAERN COc1ccc(CCC(=O)Nc2nc3ccc(C(C)(C)C)cc3s2)cc1 ZINC000065003541 205314098 /nfs/dbraw/zinc/31/40/98/205314098.db2.gz OJJVMGSXBFMKST-UHFFFAOYSA-N 0 0 368.502 5.174 10 0 FKAERN CC(C)c1ccc(C(=O)Nc2nc3ccc(C(C)(C)C)cc3s2)cc1 ZINC000065003562 205314284 /nfs/dbraw/zinc/31/42/84/205314284.db2.gz MHCYFMJRTHBGTQ-UHFFFAOYSA-N 0 0 352.503 5.970 10 0 FKAERN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc2c(cccc2F)s1 ZINC000065005003 205313586 /nfs/dbraw/zinc/31/35/86/205313586.db2.gz DUHZVUNVPRKSEQ-FNORWQNLSA-N 0 0 367.232 5.394 10 0 FKAERN Oc1cc(Br)cc(-c2ccccc2OCc2ccccc2)c1 ZINC000065343963 205338803 /nfs/dbraw/zinc/33/88/03/205338803.db2.gz RVJNAWZREPGEES-UHFFFAOYSA-N 0 0 355.231 5.401 10 0 FKAERN Oc1cc(Br)cc(-c2cccc(OCc3ccccc3)c2)c1 ZINC000065343964 221201004 /nfs/dbraw/zinc/20/10/04/221201004.db2.gz PXSISBRLWXVZQX-UHFFFAOYSA-N 0 0 355.231 5.401 10 0 FKAERN Oc1cc(OC(F)(F)F)cc(-c2ccccc2OCc2ccccc2)c1 ZINC000065344432 221201328 /nfs/dbraw/zinc/20/13/28/221201328.db2.gz DMXDGMWNIBFYGO-UHFFFAOYSA-N 0 0 360.331 5.537 10 0 FKAERN Oc1cc(OC(F)(F)F)cc(-c2cccc(OCc3ccccc3)c2)c1 ZINC000065344435 205338191 /nfs/dbraw/zinc/33/81/91/205338191.db2.gz HIBLTDFNKQNCIF-UHFFFAOYSA-N 0 0 360.331 5.537 10 0 FKAERN Oc1cc(OC(F)(F)F)cc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000065344440 221200860 /nfs/dbraw/zinc/20/08/60/221200860.db2.gz QPYZKSLPLQVKBS-UHFFFAOYSA-N 0 0 360.331 5.537 10 0 FKAERN Cc1nc(C)c(Cn2cnc(-c3ccccc3)c2-c2cccc(C)n2)s1 ZINC000065399078 221212315 /nfs/dbraw/zinc/21/23/15/221212315.db2.gz NQEMSFKCYSXYFC-UHFFFAOYSA-N 0 0 360.486 5.042 10 0 FKAERN CC(=O)Oc1ccccc1/C=C/c1cc(Cl)ccc1Br ZINC000065733946 205361852 /nfs/dbraw/zinc/36/18/52/205361852.db2.gz HLFSLKCOGBEHAK-VOTSOKGWSA-N 0 0 351.627 5.198 10 0 in-vitro FKAERN CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(COC(C)=O)=C[C@@H]21 ZINC000065733953 210099736 /nfs/dbraw/zinc/09/97/36/210099736.db2.gz ILHSUWMZKIAMCQ-RTBURBONSA-N 0 0 372.505 5.279 10 0 in-vitro FKAERN C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@H]2O ZINC000065734644 571075293 /nfs/dbraw/zinc/07/52/93/571075293.db2.gz KTONJCQNAMVMHS-RXFVIIJJSA-N 0 0 362.513 5.483 10 0 in-vitro FKAERN C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000065734645 571075218 /nfs/dbraw/zinc/07/52/18/571075218.db2.gz KTONJCQNAMVMHS-VAFBSOEGSA-N 0 0 362.513 5.483 10 0 in-vitro FKAERN CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3C=Cc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000065739651 221236261 /nfs/dbraw/zinc/23/62/61/221236261.db2.gz QTAQSALQAZZFHY-RBRWEJTLSA-N 0 0 354.490 5.431 10 0 in-vitro FKAERN CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4C3=CC[C@]12C ZINC000065739652 210099649 /nfs/dbraw/zinc/09/96/49/210099649.db2.gz JBBVWVSEQQRIJR-FBPBVXOASA-N 0 0 354.490 5.260 10 0 in-vitro FKAERN CCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000065740815 221236206 /nfs/dbraw/zinc/23/62/06/221236206.db2.gz GHLGEOXVTQTIBD-NTYLBUJVSA-N 0 0 370.533 5.740 10 0 in-vitro FKAERN CC(C)CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000065740816 221235904 /nfs/dbraw/zinc/23/59/04/221235904.db2.gz XVRWOQYVIKKJGV-RBRWEJTLSA-N 0 0 356.506 5.206 10 0 in-vitro FKAERN CCCCC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000065740829 210100404 /nfs/dbraw/zinc/10/04/04/210100404.db2.gz FQLHSYGNONSVOX-UGTOYMOASA-N 0 0 354.490 5.207 10 0 in-vitro FKAERN CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)c(C)cc4[C@H]3CC[C@]12C ZINC000065743316 571321216 /nfs/dbraw/zinc/32/12/16/571321216.db2.gz MDPGLYIBXPDDIL-HQJRMOTOSA-N 0 0 370.533 5.659 10 0 in-vitro FKAERN CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4c(C)c(O)ccc4[C@H]3CC[C@]12C ZINC000065743317 221236281 /nfs/dbraw/zinc/23/62/81/221236281.db2.gz HYULKAMCRUYZJT-KVMFQRFPSA-N 0 0 370.533 5.659 10 0 in-vitro FKAERN CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4c(C)ccc(O)c4[C@H]3CC[C@]12C ZINC000065743318 571321242 /nfs/dbraw/zinc/32/12/42/571321242.db2.gz BDDPIJXOBWEKKS-AZOREUJESA-N 0 0 370.533 5.659 10 0 in-vitro FKAERN COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@H](O[C@@H]4CCCCO4)[C@@]3(C)CC[C@H]21 ZINC000065743319 210099543 /nfs/dbraw/zinc/09/95/43/210099543.db2.gz SJDZPRJOUBDGJM-VXAMWORUSA-N 0 0 370.533 5.463 10 0 in-vitro FKAERN COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@H](O[C@H]4CCCCO4)[C@@]3(C)CC[C@H]21 ZINC000065743320 210099521 /nfs/dbraw/zinc/09/95/21/210099521.db2.gz SJDZPRJOUBDGJM-PPOWDTIZSA-N 0 0 370.533 5.463 10 0 in-vitro FKAERN Cc1sc(C)c(C(=O)c2ccc(C(F)(F)F)cc2)c1Br ZINC000066055084 221239457 /nfs/dbraw/zinc/23/94/57/221239457.db2.gz JZKSVILAFCSAHE-UHFFFAOYSA-N 0 0 363.198 5.377 10 0 FKAERN Cc1ccc2cc(-c3n[nH]c4cc(NC(=O)c5ccccc5)ccc43)[nH]c2c1 ZINC000066073696 221239405 /nfs/dbraw/zinc/23/94/05/221239405.db2.gz KKMQPVLYRUZCTF-UHFFFAOYSA-N 0 0 366.424 5.272 10 0 FKAERN Cc1ccc2cc(-c3n[nH]c4cc(NC(=O)C5CCCCC5)ccc43)[nH]c2c1 ZINC000066075786 221239255 /nfs/dbraw/zinc/23/92/55/221239255.db2.gz OXYQYPAUFLWFAB-UHFFFAOYSA-N 0 0 372.472 5.538 10 0 FKAERN Cc1ccc2cc(-c3n[nH]c4ccc(NC(=O)c5ccccc5)cc43)[nH]c2c1 ZINC000066079057 205363233 /nfs/dbraw/zinc/36/32/33/205363233.db2.gz QZWQSFRWHQYAPC-UHFFFAOYSA-N 0 0 366.424 5.272 10 0 FKAERN Cc1ccc2cc(-c3n[nH]c4ccc(NCc5ccccc5)cc43)[nH]c2c1 ZINC000066165896 208695318 /nfs/dbraw/zinc/69/53/18/208695318.db2.gz DEDAWVUJRZIKFY-UHFFFAOYSA-N 0 0 352.441 5.632 10 0 FKAERN CCCCCC1CCC(c2ccc(-c3ccc(CCCC)cc3)cc2)CC1 ZINC000066351968 221244772 /nfs/dbraw/zinc/24/47/72/221244772.db2.gz JYNBIXBHAKVVBW-UHFFFAOYSA-N 0 0 362.601 8.550 10 0 FKAERN Nc1ccccc1Cn1c2cnccc2nc1-c1c(Cl)cccc1Cl ZINC000067175984 205366745 /nfs/dbraw/zinc/36/67/45/205366745.db2.gz CAFVTJDTBNDORG-UHFFFAOYSA-N 0 0 369.255 5.036 10 0 FKAERN CCCCn1c(=O)c2ccccc2nc1SCc1cccc(Cl)c1 ZINC000067259703 221249943 /nfs/dbraw/zinc/24/99/43/221249943.db2.gz OLNACCOFNVALNA-UHFFFAOYSA-N 0 0 358.894 5.142 10 0 FKAERN CC1(C)[C@H](Cc2cc(CC3CCCCC3)on2)C[C@@H]1NC(=O)C1CCCC1 ZINC000067890025 207215318 /nfs/dbraw/zinc/21/53/18/207215318.db2.gz JMDDOPRJYJSLFF-NQIIRXRSSA-N 0 0 372.553 5.061 10 0 FKAERN COc1ccc(Cc2ccc(NC(N)=O)cc2)cc1-c1cccc(Cl)c1 ZINC000068153148 221313857 /nfs/dbraw/zinc/31/38/57/221313857.db2.gz RJJLUTWHJUDZFP-UHFFFAOYSA-N 0 0 366.848 5.097 10 0 FKAERN CCn1ccc2cc(-c3ccc4oc(Nc5ccccc5)nc4c3)ccc21 ZINC000068205240 221314346 /nfs/dbraw/zinc/31/43/46/221314346.db2.gz ISUJNJHQIOHFBL-UHFFFAOYSA-N 0 0 353.425 6.213 10 0 FKAERN Brc1ccc(SCc2ccccc2Br)cc1 ZINC000070130568 211642392 /nfs/dbraw/zinc/64/23/92/211642392.db2.gz CLRWUBRXFDQVHK-UHFFFAOYSA-N 0 0 358.098 5.504 10 0 FKAERN Brc1cccc(CSc2ccccc2Br)c1 ZINC000070130940 221331957 /nfs/dbraw/zinc/33/19/57/221331957.db2.gz RHDRLHPNEVLBDA-UHFFFAOYSA-N 0 0 358.098 5.504 10 0 FKAERN O=C(COc1cc(Cl)ccc1Cl)c1ccccc1Br ZINC000070131336 221331408 /nfs/dbraw/zinc/33/14/08/221331408.db2.gz ISBRNQOQQAYLGN-UHFFFAOYSA-N 0 0 360.034 5.018 10 0 FKAERN Clc1ccc(Cl)c(OCCOc2ccc(Br)cc2)c1 ZINC000070131356 221331900 /nfs/dbraw/zinc/33/19/00/221331900.db2.gz QUPSNIGZHRUAFI-UHFFFAOYSA-N 0 0 362.050 5.214 10 0 FKAERN O=C(COc1cc(Cl)ccc1Cl)c1ccc(Br)cc1 ZINC000070131390 221331536 /nfs/dbraw/zinc/33/15/36/221331536.db2.gz PFVLIDBZIYNMLS-UHFFFAOYSA-N 0 0 360.034 5.018 10 0 FKAERN O=C(COc1cc(Cl)ccc1Cl)c1ccc(Br)s1 ZINC000070131394 221331143 /nfs/dbraw/zinc/33/11/43/221331143.db2.gz GNNWOZNMDBEBEH-UHFFFAOYSA-N 0 0 366.063 5.079 10 0 FKAERN O=C(COc1cc(Cl)ccc1Cl)c1cccc(Br)c1 ZINC000070131405 221331620 /nfs/dbraw/zinc/33/16/20/221331620.db2.gz GEFLJQJEJIDLKR-UHFFFAOYSA-N 0 0 360.034 5.018 10 0 FKAERN O=C(COc1ccccc1Br)c1ccc(Cl)cc1Cl ZINC000070131806 221331561 /nfs/dbraw/zinc/33/15/61/221331561.db2.gz BMKVLLWWNQGHKE-UHFFFAOYSA-N 0 0 360.034 5.018 10 0 FKAERN O=C(COc1ccccc1Br)c1ccc(Cl)c(Cl)c1 ZINC000070131808 221331624 /nfs/dbraw/zinc/33/16/24/221331624.db2.gz PHXVLOSSDWMZSB-UHFFFAOYSA-N 0 0 360.034 5.018 10 0 FKAERN O=C(COc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 ZINC000070131873 221331916 /nfs/dbraw/zinc/33/19/16/221331916.db2.gz NBJDNUOHMZVYGG-UHFFFAOYSA-N 0 0 360.034 5.018 10 0 FKAERN Clc1ccc(COc2ccc3cc(Br)ccc3c2)s1 ZINC000070132190 221331673 /nfs/dbraw/zinc/33/16/73/221331673.db2.gz GAPIOULWAVNBTA-UHFFFAOYSA-N 0 0 353.668 5.896 10 0 FKAERN O=C(COc1cccc(Cl)c1Cl)c1cccc(Br)c1 ZINC000070132292 221331198 /nfs/dbraw/zinc/33/11/98/221331198.db2.gz PMIOHMUTWJHOPY-UHFFFAOYSA-N 0 0 360.034 5.018 10 0 FKAERN O=C(COc1ccc(Br)cc1Cl)c1ccccc1Cl ZINC000070132457 221331129 /nfs/dbraw/zinc/33/11/29/221331129.db2.gz QTMLIMDOTPJDKF-UHFFFAOYSA-N 0 0 360.034 5.018 10 0 FKAERN O=C(COc1ccc(Br)cc1Cl)c1ccc(Cl)cc1 ZINC000070132517 221331799 /nfs/dbraw/zinc/33/17/99/221331799.db2.gz RYSVPIMWLJYWLO-UHFFFAOYSA-N 0 0 360.034 5.018 10 0 FKAERN O=C(COc1ccc(Br)cc1Cl)c1cccc(Cl)c1 ZINC000070132540 221331258 /nfs/dbraw/zinc/33/12/58/221331258.db2.gz IXKMKYIFLHHZGO-UHFFFAOYSA-N 0 0 360.034 5.018 10 0 FKAERN Clc1cc(Cl)c(OCc2ccc(Br)cc2)cc1Cl ZINC000070132598 221331513 /nfs/dbraw/zinc/33/15/13/221331513.db2.gz PIVDCGOHYRWGRW-UHFFFAOYSA-N 0 0 366.469 5.988 10 0 FKAERN Clc1cc(Cl)c(OCc2cccc(Br)c2)cc1Cl ZINC000070132611 221331549 /nfs/dbraw/zinc/33/15/49/221331549.db2.gz JINKYMVQQGCQCW-UHFFFAOYSA-N 0 0 366.469 5.988 10 0 FKAERN Fc1cc(Br)ccc1CSc1nc2ccccc2s1 ZINC000070132662 221331590 /nfs/dbraw/zinc/33/15/90/221331590.db2.gz GRWKCGQFUUXWSL-UHFFFAOYSA-N 0 0 354.269 5.490 10 0 FKAERN O=C(COc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC000070132702 221331480 /nfs/dbraw/zinc/33/14/80/221331480.db2.gz LJRRXNJCDOSHKV-UHFFFAOYSA-N 0 0 360.034 5.018 10 0 FKAERN O=C(COc1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000070132783 221331887 /nfs/dbraw/zinc/33/18/87/221331887.db2.gz UPPTUCODHSWHOZ-UHFFFAOYSA-N 0 0 360.034 5.018 10 0 FKAERN O=C(COc1ccc(Cl)cc1Cl)c1ccccc1Br ZINC000070132915 205420278 /nfs/dbraw/zinc/42/02/78/205420278.db2.gz HYBLOJXWTDVDRS-UHFFFAOYSA-N 0 0 360.034 5.018 10 0 FKAERN O=C(COc1ccc(Cl)cc1Cl)c1ccc(Br)s1 ZINC000070132968 221331708 /nfs/dbraw/zinc/33/17/08/221331708.db2.gz YCCBDCWYHWSJKI-UHFFFAOYSA-N 0 0 366.063 5.079 10 0 FKAERN O=C(COc1c(Cl)cccc1Cl)c1ccc(Br)cc1 ZINC000070133141 205420274 /nfs/dbraw/zinc/42/02/74/205420274.db2.gz FJXKFJOVZBUEOL-UHFFFAOYSA-N 0 0 360.034 5.018 10 0 FKAERN O=C(COc1ccc(Cl)cc1Br)c1ccccc1Cl ZINC000070133224 221331445 /nfs/dbraw/zinc/33/14/45/221331445.db2.gz YZEXTYADHAKINR-UHFFFAOYSA-N 0 0 360.034 5.018 10 0 FKAERN O=C(COc1ccc(Cl)cc1Br)c1ccc(Cl)cc1 ZINC000070133274 221331962 /nfs/dbraw/zinc/33/19/62/221331962.db2.gz SPPBHVUEWDERGO-UHFFFAOYSA-N 0 0 360.034 5.018 10 0 FKAERN Fc1cc(Br)ccc1CSc1cc(Cl)ccc1Cl ZINC000070133458 221331168 /nfs/dbraw/zinc/33/11/68/221331168.db2.gz ANKUJYAXVIUVSC-UHFFFAOYSA-N 0 0 366.082 6.187 10 0 FKAERN Clc1ccc(OCCOc2cccc(Br)c2)cc1Cl ZINC000070133483 221331781 /nfs/dbraw/zinc/33/17/81/221331781.db2.gz PWUAEKBFNSIYKN-UHFFFAOYSA-N 0 0 362.050 5.214 10 0 FKAERN Fc1cc(Br)ccc1COc1ccc(Cl)c(Cl)c1 ZINC000070133486 221331750 /nfs/dbraw/zinc/33/17/50/221331750.db2.gz DOKQKTZPRHXWSD-UHFFFAOYSA-N 0 0 350.014 5.474 10 0 FKAERN Clc1cccc(OCCOc2cccc(Br)c2)c1Cl ZINC000070133518 221331371 /nfs/dbraw/zinc/33/13/71/221331371.db2.gz SFINLEQWPZOQDZ-UHFFFAOYSA-N 0 0 362.050 5.214 10 0 FKAERN Fc1cc(Br)ccc1COc1cccc(Cl)c1Cl ZINC000070133520 221331828 /nfs/dbraw/zinc/33/18/28/221331828.db2.gz YPQYNMXHNVSONB-UHFFFAOYSA-N 0 0 350.014 5.474 10 0 FKAERN Ic1ccc(OCc2cccc3ccccc32)cc1 ZINC000070133792 205420053 /nfs/dbraw/zinc/42/00/53/205420053.db2.gz JBLQKNSCPRMBCG-UHFFFAOYSA-N 0 0 360.194 5.023 10 0 FKAERN CC(C)(C)c1ccc(COc2ccc(I)cc2)cc1 ZINC000070133799 221331879 /nfs/dbraw/zinc/33/18/79/221331879.db2.gz KWTKDCQVQPIFIS-UHFFFAOYSA-N 0 0 366.242 5.168 10 0 FKAERN Clc1cc(Cl)cc(OCCOc2ccc(Br)cc2)c1 ZINC000070133857 221332027 /nfs/dbraw/zinc/33/20/27/221332027.db2.gz QVWUZSUUQOLJHY-UHFFFAOYSA-N 0 0 362.050 5.214 10 0 FKAERN Clc1cc(Cl)cc(OCCOc2cccc(Br)c2)c1 ZINC000070133861 221331664 /nfs/dbraw/zinc/33/16/64/221331664.db2.gz MGCIJKUQCQKURM-UHFFFAOYSA-N 0 0 362.050 5.214 10 0 FKAERN Fc1cc(Br)ccc1COc1cc(Cl)cc(Cl)c1 ZINC000070133863 221331139 /nfs/dbraw/zinc/33/11/39/221331139.db2.gz QRKQNTYMFIKBLN-UHFFFAOYSA-N 0 0 350.014 5.474 10 0 FKAERN Clc1ccc(OCCOc2ccc(Br)cc2)c(Cl)c1 ZINC000070133903 221331462 /nfs/dbraw/zinc/33/14/62/221331462.db2.gz BOEKUUPEOKIBLW-UHFFFAOYSA-N 0 0 362.050 5.214 10 0 FKAERN Clc1cccc(Cl)c1OCCOc1ccc(Br)cc1 ZINC000070133914 205421322 /nfs/dbraw/zinc/42/13/22/205421322.db2.gz SLKHQBKOUKCDIP-UHFFFAOYSA-N 0 0 362.050 5.214 10 0 FKAERN Clc1ccc(OCCOc2cccc(Br)c2)c(Cl)c1 ZINC000070133935 221331824 /nfs/dbraw/zinc/33/18/24/221331824.db2.gz GAXUTAZOPPHMAC-UHFFFAOYSA-N 0 0 362.050 5.214 10 0 FKAERN Fc1cc(Br)ccc1COc1c(Cl)cccc1Cl ZINC000070135979 221331499 /nfs/dbraw/zinc/33/14/99/221331499.db2.gz CZAYRYINVFNYFS-UHFFFAOYSA-N 0 0 350.014 5.474 10 0 FKAERN O=C(COc1ccc(Br)cc1)c1cc(Cl)sc1Cl ZINC000070136615 221332036 /nfs/dbraw/zinc/33/20/36/221332036.db2.gz FCMOEOXGGSDJPT-UHFFFAOYSA-N 0 0 366.063 5.079 10 0 FKAERN COc1ccc(Br)cc1COc1c(Cl)cccc1Cl ZINC000070137903 221331583 /nfs/dbraw/zinc/33/15/83/221331583.db2.gz GNWMYOVSUARLFL-UHFFFAOYSA-N 0 0 362.050 5.344 10 0 FKAERN COc1ccc(COc2cc(Cl)ccc2Cl)cc1Br ZINC000070138135 221331843 /nfs/dbraw/zinc/33/18/43/221331843.db2.gz KZNCHHQOBBZLNE-UHFFFAOYSA-N 0 0 362.050 5.344 10 0 FKAERN CC[C@H](NC(=O)c1ccc(Br)s1)c1ccc(Cl)cc1 ZINC000070139685 221331669 /nfs/dbraw/zinc/33/16/69/221331669.db2.gz RRHXLTYJLRIPDW-NSHDSACASA-N 0 0 358.688 5.045 10 0 FKAERN CC[C@@H](NC(=O)c1ccc(Br)s1)c1ccc(Cl)cc1 ZINC000070139686 221331124 /nfs/dbraw/zinc/33/11/24/221331124.db2.gz RRHXLTYJLRIPDW-LLVKDONJSA-N 0 0 358.688 5.045 10 0 FKAERN Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1Br ZINC000070140171 221331096 /nfs/dbraw/zinc/33/10/96/221331096.db2.gz ACBOCAZWTVTHSC-UHFFFAOYSA-N 0 0 359.050 5.317 10 0 FKAERN O=C(COc1cccc(Br)c1)c1cc(Cl)ccc1Cl ZINC000070144562 221331738 /nfs/dbraw/zinc/33/17/38/221331738.db2.gz PXPRBORUKAAILY-UHFFFAOYSA-N 0 0 360.034 5.018 10 0 FKAERN O=C(COc1ccc(Br)cc1)c1cc(Cl)ccc1Cl ZINC000070144709 221331764 /nfs/dbraw/zinc/33/17/64/221331764.db2.gz DWZKMYRKVBTXNC-UHFFFAOYSA-N 0 0 360.034 5.018 10 0 FKAERN Fc1cc(Cl)ccc1-n1c(=S)[nH]c2cc(Br)ccc21 ZINC000070543077 211676969 /nfs/dbraw/zinc/67/69/69/211676969.db2.gz HFPFLKFQCFKITF-UHFFFAOYSA-N 0 0 357.635 5.243 10 0 FKAERN O[C@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)s1 ZINC000070579546 221332295 /nfs/dbraw/zinc/33/22/95/221332295.db2.gz BDVATTHKEWORNB-SNVBAGLBSA-N 0 0 352.080 5.094 10 0 FKAERN Clc1cc(Br)ccc1Nc1ncccc1Br ZINC000071107643 208177454 /nfs/dbraw/zinc/17/74/54/208177454.db2.gz QSMWKYQBAXUHJO-UHFFFAOYSA-N 0 0 362.452 5.004 10 0 FKAERN Clc1ccc(Br)cc1Nc1ncccc1Br ZINC000071107822 221335711 /nfs/dbraw/zinc/33/57/11/221335711.db2.gz WSWNECWERXBREW-UHFFFAOYSA-N 0 0 362.452 5.004 10 0 FKAERN Clc1ccc(Oc2ccc(Br)cn2)c(Br)c1 ZINC000071107861 205024951 /nfs/dbraw/zinc/02/49/51/205024951.db2.gz NHEQXJQCRUQDOM-UHFFFAOYSA-N 0 0 363.436 5.052 10 0 FKAERN Clc1ccc(Cl)c(SCc2sccc2Br)c1 ZINC000071109599 205025388 /nfs/dbraw/zinc/02/53/88/205025388.db2.gz NLCLGWXVBSXPFI-UHFFFAOYSA-N 0 0 354.121 6.110 10 0 FKAERN Brc1ccc(CSc2cccc(Br)c2)cc1 ZINC000071109999 221335585 /nfs/dbraw/zinc/33/55/85/221335585.db2.gz XAGYJOUIELHKAC-UHFFFAOYSA-N 0 0 358.098 5.504 10 0 FKAERN O[C@@](c1ccccc1)(c1ccc(Cl)cc1)C1=CCC(Cl)(Cl)C=C1 ZINC000071613916 221351604 /nfs/dbraw/zinc/35/16/04/221351604.db2.gz NHEPVVSOKOHDSO-IBGZPJMESA-N 0 0 365.687 5.636 10 0 FKAERN CCN(CC)c1ccc(NC(=S)Nc2cccc(SC)c2)c(C)c1 ZINC000071761299 208776897 /nfs/dbraw/zinc/77/68/97/208776897.db2.gz HBTQVLSLQAKVMQ-UHFFFAOYSA-N 0 0 359.564 5.372 10 0 FKAERN CSc1cccc(NC(=S)Nc2ccc(Br)cc2C)c1 ZINC000071761388 221368175 /nfs/dbraw/zinc/36/81/75/221368175.db2.gz GPKWRJDWLJIONQ-UHFFFAOYSA-N 0 0 367.337 5.288 10 0 FKAERN CSc1cccc(NC(=S)Nc2ccc(C)cc2Br)c1 ZINC000071761395 221368337 /nfs/dbraw/zinc/36/83/37/221368337.db2.gz GPSQIMXJBPYRNG-UHFFFAOYSA-N 0 0 367.337 5.288 10 0 FKAERN COc1cc(Cl)c(C)cc1NC(=S)Nc1cccc(SC)c1 ZINC000071761404 205442380 /nfs/dbraw/zinc/44/23/80/205442380.db2.gz DNHVIZAAJHGSEQ-UHFFFAOYSA-N 0 0 352.912 5.188 10 0 FKAERN CCN(CC)c1ccc(NC(=S)Nc2cccc(Cl)c2C)c(C)c1 ZINC000071761775 221367549 /nfs/dbraw/zinc/36/75/49/221367549.db2.gz ZYZFBSUTJOAJHY-UHFFFAOYSA-N 0 0 361.942 5.612 10 0 FKAERN COc1cc(Cl)c(C)cc1NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000071761867 208777272 /nfs/dbraw/zinc/77/72/72/208777272.db2.gz NADWJYIGILSCET-UHFFFAOYSA-N 0 0 374.815 5.485 10 0 FKAERN COC(=O)[C@H](CCSC)NC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000071788298 570514117 /nfs/dbraw/zinc/51/41/17/570514117.db2.gz BCIAEXUSWOQQGR-UJMPLXFMSA-N 0 0 367.599 5.290 10 0 FKAERN Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4ccncc4)cc23)c1F ZINC000071788641 205448039 /nfs/dbraw/zinc/44/80/39/205448039.db2.gz PDSVBDXSUMHLAP-UHFFFAOYSA-N 0 0 374.350 5.225 10 0 in-vitro FKAERN Cc1cn(-c2cc(NC(=O)c3ccc(C)c(C)c3)cc(C(F)(F)F)c2)cn1 ZINC000071789451 221376677 /nfs/dbraw/zinc/37/66/77/221376677.db2.gz MAVRJTDKUNWDME-UHFFFAOYSA-N 0 0 373.378 5.069 10 0 FKAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000071856098 221383689 /nfs/dbraw/zinc/38/36/89/221383689.db2.gz KRUJAQBRONZKQX-GFCCVEGCSA-N 0 0 355.787 5.121 10 0 FKAERN C[C@@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc2ccccc2c1 ZINC000071944814 221389560 /nfs/dbraw/zinc/38/95/60/221389560.db2.gz KGVJZGQPPXMYNY-OAHLLOKOSA-N 0 0 361.489 5.160 10 0 FKAERN O=C(N[C@H]1CCc2cc(Cl)ccc21)c1cc(F)c(Cl)cc1Cl ZINC000072022196 221397288 /nfs/dbraw/zinc/39/72/88/221397288.db2.gz IOPZNQGMDHGFLA-HNNXBMFYSA-N 0 0 358.627 5.203 10 0 FKAERN O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1cc(F)c(Cl)cc1Cl ZINC000072022197 221396823 /nfs/dbraw/zinc/39/68/23/221396823.db2.gz IOPZNQGMDHGFLA-OAHLLOKOSA-N 0 0 358.627 5.203 10 0 FKAERN Cc1nc(-c2cccc(NC(=O)N[C@@H](C)c3ccc(Cl)cc3)c2)oc1C ZINC000072025829 221397240 /nfs/dbraw/zinc/39/72/40/221397240.db2.gz HVOKJNVUXIAAPN-ZDUSSCGKSA-N 0 0 369.852 5.495 10 0 FKAERN Cc1nc(-c2cccc(NC(=O)N[C@H](C)c3ccc(Cl)cc3)c2)oc1C ZINC000072025830 221397248 /nfs/dbraw/zinc/39/72/48/221397248.db2.gz HVOKJNVUXIAAPN-CYBMUJFWSA-N 0 0 369.852 5.495 10 0 FKAERN CCc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cc1 ZINC000072025831 221397546 /nfs/dbraw/zinc/39/75/46/221397546.db2.gz XKGCCUUGBADILH-OAHLLOKOSA-N 0 0 363.461 5.404 10 0 FKAERN CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000072026277 221397468 /nfs/dbraw/zinc/39/74/68/221397468.db2.gz CHBYROQJGKPYRK-HNNXBMFYSA-N 0 0 369.317 5.274 10 0 FKAERN CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)c(F)c1 ZINC000072050987 221399865 /nfs/dbraw/zinc/39/98/65/221399865.db2.gz BXOFBCBOOWYXPB-LBPRGKRZSA-N 0 0 350.821 5.149 10 0 FKAERN COc1ccc(Cn2c3cnc4ccccc4c3nc2-c2ccccc2)cc1 ZINC000072176500 205502224 /nfs/dbraw/zinc/50/22/24/205502224.db2.gz GOMXGEMLQLSYBC-UHFFFAOYSA-N 0 0 365.436 5.308 10 0 FKAERN CCCC[C@@H](CC)CC(=O)c1ccccc1C(=O)C[C@@H](CC)CCCC ZINC000072187399 205502204 /nfs/dbraw/zinc/50/22/04/205502204.db2.gz ZUUMDAOVLDVZID-BGYRXZFFSA-N 0 0 358.566 7.265 10 0 FKAERN CCCCN(C(=O)C/C=C/c1ccccc1)c1ccc(Cl)cc1Cl ZINC000072236068 208825990 /nfs/dbraw/zinc/82/59/90/208825990.db2.gz OWOGBVOFTONLMB-JXMROGBWSA-N 0 0 362.300 6.230 10 0 FKAERN Cc1cc(Cl)ccc1Nc1nc2ccccc2c(Nc2ccccc2)n1 ZINC000072260364 208827029 /nfs/dbraw/zinc/82/70/29/208827029.db2.gz SIPCITRTXMUVLF-UHFFFAOYSA-N 0 0 360.848 6.079 10 0 FKAERN Cc1ccc(Nc2nc(Nc3ccccc3Cl)nc3ccccc32)cc1 ZINC000072260410 221455173 /nfs/dbraw/zinc/45/51/73/221455173.db2.gz HIMJUKZLZYYMLS-UHFFFAOYSA-N 0 0 360.848 6.079 10 0 FKAERN CCc1ccc(Nc2nc3ccccc3c(Nc3ccc(C)cc3)n2)cc1 ZINC000072260416 205502765 /nfs/dbraw/zinc/50/27/65/205502765.db2.gz JZZJAOHXRPQLFP-UHFFFAOYSA-N 0 0 354.457 5.988 10 0 FKAERN COc1cccc(Nc2nc3ccccc3c(Nc3ccc(C)cc3)n2)c1 ZINC000072260419 221455434 /nfs/dbraw/zinc/45/54/34/221455434.db2.gz FZHYFLCNWNONRG-UHFFFAOYSA-N 0 0 356.429 5.434 10 0 FKAERN Cc1ccc(Nc2nc(Nc3cccc([C@H](C)O)c3)nc3ccccc32)cc1 ZINC000072260425 205503673 /nfs/dbraw/zinc/50/36/73/205503673.db2.gz NAXQHHXAZTVBNP-INIZCTEOSA-N 0 0 370.456 5.479 10 0 FKAERN Cc1ccc(Nc2nc(Nc3ccc(Cl)cc3C)nc3ccccc32)cc1 ZINC000072260452 221455197 /nfs/dbraw/zinc/45/51/97/221455197.db2.gz LUJUPQLQLASDJK-UHFFFAOYSA-N 0 0 374.875 6.387 10 0 FKAERN Cc1ccc(Nc2nc(N3CCc4ccccc4C3)nc3ccccc32)cc1 ZINC000072260472 136143944 /nfs/dbraw/zinc/14/39/44/136143944.db2.gz YKINSHDHEDYETF-UHFFFAOYSA-N 0 0 366.468 5.245 10 0 FKAERN C[C@@H]1CCCN(c2nc3ccccc3c(NCc3ccccc3Cl)n2)C1 ZINC000072260562 136143902 /nfs/dbraw/zinc/14/39/02/136143902.db2.gz JIGIBWYOPPSESP-OAHLLOKOSA-N 0 0 366.896 5.132 10 0 FKAERN C[C@H]1CCCN(c2nc3ccccc3c(NCc3ccccc3Cl)n2)C1 ZINC000072260563 136143956 /nfs/dbraw/zinc/14/39/56/136143956.db2.gz JIGIBWYOPPSESP-HNNXBMFYSA-N 0 0 366.896 5.132 10 0 FKAERN CC1CCN(c2nc3ccccc3c(NCc3ccccc3Cl)n2)CC1 ZINC000072260564 136143961 /nfs/dbraw/zinc/14/39/61/136143961.db2.gz GPEKEYQSVSDKQD-UHFFFAOYSA-N 0 0 366.896 5.132 10 0 FKAERN Cc1ccc(CNc2nc(Nc3ccc(F)cc3)nc3ccccc32)cc1 ZINC000072260598 221455152 /nfs/dbraw/zinc/45/51/52/221455152.db2.gz LPVIJHIVDPUOAX-UHFFFAOYSA-N 0 0 358.420 5.433 10 0 FKAERN Cc1ccc(CNc2nc(Nc3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000072260603 221455136 /nfs/dbraw/zinc/45/51/36/221455136.db2.gz ASPBEJITIOGNFH-UHFFFAOYSA-N 0 0 374.875 5.947 10 0 FKAERN COc1ccccc1Nc1nc2ccccc2c(NCc2ccc(C)cc2)n1 ZINC000072260607 205503618 /nfs/dbraw/zinc/50/36/18/205503618.db2.gz BLCXFRJMTXIYQG-UHFFFAOYSA-N 0 0 370.456 5.303 10 0 FKAERN COc1ccc(Nc2nc3ccccc3c(NCc3ccc(C)cc3)n2)cc1 ZINC000072260609 208826266 /nfs/dbraw/zinc/82/62/66/208826266.db2.gz RLKYKKMSHZBZPK-UHFFFAOYSA-N 0 0 370.456 5.303 10 0 FKAERN Cc1ccc(CNc2nc(Nc3ccc(C)cc3C)nc3ccccc32)cc1 ZINC000072260629 221455190 /nfs/dbraw/zinc/45/51/90/221455190.db2.gz LEAQWHYYVQHUQX-UHFFFAOYSA-N 0 0 368.484 5.911 10 0 FKAERN COc1ccc(CNc2nc(Nc3ccccc3F)nc3ccccc32)cc1 ZINC000072260692 221455422 /nfs/dbraw/zinc/45/54/22/221455422.db2.gz AYEQRHGJUBNRNI-UHFFFAOYSA-N 0 0 374.419 5.133 10 0 FKAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2cccc(Cl)c2)s1 ZINC000072260844 208826600 /nfs/dbraw/zinc/82/66/00/208826600.db2.gz SNFNJNMBRADMOW-UHFFFAOYSA-N 0 0 352.850 5.459 10 0 FKAERN CC(=O)c1cccc(Nc2nc(-c3cccnc3)nc3sc(C)cc32)c1 ZINC000072260854 208826582 /nfs/dbraw/zinc/82/65/82/208826582.db2.gz DRMHJYALWLKZTE-UHFFFAOYSA-N 0 0 360.442 5.008 10 0 FKAERN COc1ccc(C)cc1Nc1nc(-c2cccnc2)nc2sc(C)cc21 ZINC000072260871 221455300 /nfs/dbraw/zinc/45/53/00/221455300.db2.gz ASPGYYXBHZMPBR-UHFFFAOYSA-N 0 0 362.458 5.122 10 0 FKAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2ccc(C)c(Cl)c2)s1 ZINC000072260881 208826628 /nfs/dbraw/zinc/82/66/28/208826628.db2.gz YFBVESNAEMKFSG-UHFFFAOYSA-N 0 0 366.877 5.767 10 0 FKAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2cc(Cl)ccc2C)s1 ZINC000072260883 221455474 /nfs/dbraw/zinc/45/54/74/221455474.db2.gz ZVGOUZLLWJHKMI-UHFFFAOYSA-N 0 0 366.877 5.767 10 0 FKAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2ccc(F)c(Cl)c2)s1 ZINC000072260884 221454812 /nfs/dbraw/zinc/45/48/12/221454812.db2.gz XFVINFFRJHAJSI-UHFFFAOYSA-N 0 0 370.840 5.598 10 0 FKAERN Clc1ccccc1CNc1nc(Nc2cccnc2)nc2ccccc21 ZINC000072260990 221455674 /nfs/dbraw/zinc/45/56/74/221455674.db2.gz XEWIIRIRBXLMQA-UHFFFAOYSA-N 0 0 361.836 5.034 10 0 FKAERN COc1ccc(Nc2nc(Nc3cccc(C)c3)nc3ccccc32)cc1 ZINC000072261007 221454717 /nfs/dbraw/zinc/45/47/17/221454717.db2.gz XOXOKGBASPFCPT-UHFFFAOYSA-N 0 0 356.429 5.434 10 0 FKAERN COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc3ccccc32)cc1 ZINC000072261008 221455408 /nfs/dbraw/zinc/45/54/08/221455408.db2.gz WFCSASUYDFCUAG-UHFFFAOYSA-N 0 0 356.429 5.434 10 0 FKAERN COc1ccc(Nc2nc(Nc3cccc(OC)c3)nc3ccccc32)cc1 ZINC000072261020 221454688 /nfs/dbraw/zinc/45/46/88/221454688.db2.gz KPEOUBUOTSXYBW-UHFFFAOYSA-N 0 0 372.428 5.134 10 0 FKAERN COc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc3ccccc32)cc1 ZINC000072261038 205503663 /nfs/dbraw/zinc/50/36/63/205503663.db2.gz UUZRGVPSEGKKKK-UHFFFAOYSA-N 0 0 370.456 5.742 10 0 FKAERN COc1ccc(-c2c3c(C)nn(-c4ccccc4)c3nc3ccccc32)cc1 ZINC000072266024 208826888 /nfs/dbraw/zinc/82/68/88/208826888.db2.gz GDQPWNZRFDLSRP-UHFFFAOYSA-N 0 0 365.436 5.558 10 0 FKAERN C(=C/c1ccc(-c2ccc(/C=C/c3cccs3)cc2)cc1)\c1cccs1 ZINC000072266027 208826866 /nfs/dbraw/zinc/82/68/66/208826866.db2.gz UCUMSWNZOPGELN-KAVGSWPWSA-N 0 0 370.542 7.817 10 0 FKAERN c1ccc(CSc2nc3nccc(-c4cccc5ccccc54)n3n2)cc1 ZINC000072439858 208863046 /nfs/dbraw/zinc/86/30/46/208863046.db2.gz ZKPUECRVEFTDSF-UHFFFAOYSA-N 0 0 368.465 5.237 10 0 FKAERN c1ccc(CSc2nc3nccc(-c4ccc5ccccc5c4)n3n2)cc1 ZINC000072439860 205551316 /nfs/dbraw/zinc/55/13/16/205551316.db2.gz FLPNBDTWFDKJAX-UHFFFAOYSA-N 0 0 368.465 5.237 10 0 FKAERN CC1=CC(C)(C)N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(O)cc21 ZINC000072441672 136147695 /nfs/dbraw/zinc/14/76/95/136147695.db2.gz NTMHLTBLOGJUGF-UHFFFAOYSA-N 0 0 362.256 5.541 10 0 FKAERN c1ccc(-c2ccc(-c3ccnc(N4CCc5ccccc5C4)n3)cc2)cc1 ZINC000072443394 136148139 /nfs/dbraw/zinc/14/81/39/136148139.db2.gz VPZJBPFLNMRFQC-UHFFFAOYSA-N 0 0 363.464 5.373 10 0 FKAERN CC(C)c1ccc(/C=C/c2ccnc(N3CCc4ccccc4C3)n2)cc1 ZINC000072443616 136148061 /nfs/dbraw/zinc/14/80/61/136148061.db2.gz KGQXVGXICCDUSA-FMIVXFBMSA-N 0 0 355.485 5.333 10 0 FKAERN O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O ZINC000072450686 208866395 /nfs/dbraw/zinc/86/63/95/208866395.db2.gz GOQAUAWYJWHMIT-UHFFFAOYSA-N 0 0 374.827 5.101 10 0 FKAERN c1csc(-c2nc3nccc(-c4ccc(-c5ccccc5)cc4)n3n2)c1 ZINC000072451427 221535866 /nfs/dbraw/zinc/53/58/66/221535866.db2.gz GENPZWGQAOOZBY-UHFFFAOYSA-N 0 0 354.438 5.187 10 0 FKAERN Cc1nn2c(nccc2-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000072451620 221535174 /nfs/dbraw/zinc/53/51/74/221535174.db2.gz LHHXFHFENFGANR-UHFFFAOYSA-N 0 0 354.240 5.679 10 0 FKAERN CCc1nn2c(nccc2-c2ccc(OC)cc2)c1-c1ccc(Cl)cc1 ZINC000072451627 221535797 /nfs/dbraw/zinc/53/57/97/221535797.db2.gz MODYYMZUYGPQNU-UHFFFAOYSA-N 0 0 363.848 5.288 10 0 FKAERN Cc1nn2c(nccc2-c2ccccc2Cl)c1-c1ccc(Cl)cc1 ZINC000072451647 221535148 /nfs/dbraw/zinc/53/51/48/221535148.db2.gz UONZNYUEBRKGRU-UHFFFAOYSA-N 0 0 354.240 5.679 10 0 FKAERN CCc1nn2c(nccc2-c2ccccc2OC)c1-c1ccc(Cl)cc1 ZINC000072451650 221535793 /nfs/dbraw/zinc/53/57/93/221535793.db2.gz QWSPBLFFQZVJFR-UHFFFAOYSA-N 0 0 363.848 5.288 10 0 FKAERN Cc1nn2c(nccc2-c2ccc3ccccc3c2)c1-c1ccc(Cl)cc1 ZINC000072451663 221535660 /nfs/dbraw/zinc/53/56/60/221535660.db2.gz FDOFBLBOFOHFMW-UHFFFAOYSA-N 0 0 369.855 6.178 10 0 FKAERN Cc1nn2c(nccc2-c2ccccc2Cl)c1-c1cccc(Cl)c1 ZINC000072451732 205553860 /nfs/dbraw/zinc/55/38/60/205553860.db2.gz KYIKTGANUUOENF-UHFFFAOYSA-N 0 0 354.240 5.679 10 0 FKAERN CCc1nn2c(nccc2-c2ccccc2OC)c1-c1cccc(Cl)c1 ZINC000072451735 221535467 /nfs/dbraw/zinc/53/54/67/221535467.db2.gz RHDUSWZDDWVMAV-UHFFFAOYSA-N 0 0 363.848 5.288 10 0 FKAERN Clc1cccc(-c2cnn3c2nccc3-c2cccc3ccccc32)c1 ZINC000072451742 221535953 /nfs/dbraw/zinc/53/59/53/221535953.db2.gz HVKACXHAHUEFAG-UHFFFAOYSA-N 0 0 355.828 5.870 10 0 FKAERN Cc1nn2c(nccc2-c2ccccc2)c1-c1ccc(Br)cc1 ZINC000072451780 221535140 /nfs/dbraw/zinc/53/51/40/221535140.db2.gz LVEVAUJPGHRIMO-UHFFFAOYSA-N 0 0 364.246 5.134 10 0 FKAERN Cc1ccc(-c2ccnc3c(-c4ccc(Br)cc4)cnn32)cc1 ZINC000072451810 205554641 /nfs/dbraw/zinc/55/46/41/205554641.db2.gz ABDYGBKRPAKNEI-UHFFFAOYSA-N 0 0 364.246 5.134 10 0 FKAERN CCc1ccc(Nc2nccc(-c3cn(-c4ccc(C)cc4)nc3C)n2)cc1 ZINC000072462200 208868797 /nfs/dbraw/zinc/86/87/97/208868797.db2.gz PRWDYGWDFCUYRF-UHFFFAOYSA-N 0 0 369.472 5.252 10 0 FKAERN CCOC(=O)c1ccc2nc(-c3cc(Cl)ccc3Cl)sc2c1 ZINC000073635316 205032565 /nfs/dbraw/zinc/03/25/65/205032565.db2.gz LYSVLKLQRJGJNY-UHFFFAOYSA-N 0 0 352.242 5.447 10 0 FKAERN CCOC(=O)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000073635328 221564761 /nfs/dbraw/zinc/56/47/61/221564761.db2.gz JWZBJPJOCCBUJX-UHFFFAOYSA-N 0 0 352.242 5.447 10 0 FKAERN CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3Cl)sc2c1 ZINC000073635341 208188802 /nfs/dbraw/zinc/18/88/02/208188802.db2.gz LTZWMEATYGPOQB-UHFFFAOYSA-N 0 0 352.242 5.447 10 0 FKAERN O=Cc1ccc2nc(-c3cc(Br)ccc3Cl)sc2c1 ZINC000073635378 205031802 /nfs/dbraw/zinc/03/18/02/205031802.db2.gz UTCMIDPLHODKKY-UHFFFAOYSA-N 0 0 352.640 5.192 10 0 FKAERN Cc1cc2sc(-c3cccc4c(Br)cccc34)nc2c(C)c1 ZINC000073635523 208189069 /nfs/dbraw/zinc/18/90/69/208189069.db2.gz ZYFLTFJGGZTOMI-UHFFFAOYSA-N 0 0 368.299 6.496 10 0 FKAERN Cc1cc2sc(-c3cccc(I)c3)nc2c(C)c1 ZINC000073635567 208188088 /nfs/dbraw/zinc/18/80/88/208188088.db2.gz RQWTXLNLSGOSCX-UHFFFAOYSA-N 0 0 365.239 5.185 10 0 FKAERN Cc1cc2sc(-c3ccc(I)cc3)nc2c(C)c1 ZINC000073635571 208187825 /nfs/dbraw/zinc/18/78/25/208187825.db2.gz GXOYRAUAXDNGEA-UHFFFAOYSA-N 0 0 365.239 5.185 10 0 FKAERN Cc1cc2sc(-c3cc(Br)ccc3Cl)nc2c(C)c1 ZINC000073635593 571109001 /nfs/dbraw/zinc/10/90/01/571109001.db2.gz BJYBJYHHMRYUAS-UHFFFAOYSA-N 0 0 352.684 5.996 10 0 FKAERN CC(C)c1ccc2oc(-c3ccc(Br)cc3Cl)nc2c1 ZINC000073638105 208188872 /nfs/dbraw/zinc/18/88/72/208188872.db2.gz MXFLUKILYWZLAC-UHFFFAOYSA-N 0 0 350.643 6.034 10 0 FKAERN Cc1cc2[nH]c(-c3ccc(Br)cc3Cl)nc2cc1Cl ZINC000073638127 208188606 /nfs/dbraw/zinc/18/86/06/208188606.db2.gz UVYSXPHJNXESBO-UHFFFAOYSA-N 0 0 356.050 5.608 10 0 FKAERN CC(C)c1ccc2oc(-c3ccc(Cl)cc3Br)nc2c1 ZINC000073638154 211689222 /nfs/dbraw/zinc/68/92/22/211689222.db2.gz XWQZLZPGFOPJFM-UHFFFAOYSA-N 0 0 350.643 6.034 10 0 FKAERN Brc1ccc(-c2nc3ccccc3s2)c(Br)c1 ZINC000073638177 571109027 /nfs/dbraw/zinc/10/90/27/571109027.db2.gz VDSKWJQPZZMQQO-UHFFFAOYSA-N 0 0 369.081 5.488 10 0 FKAERN Cc1ccc2[nH]c(-c3ccc(Br)cc3Br)nc2c1 ZINC000073638180 571109036 /nfs/dbraw/zinc/10/90/36/571109036.db2.gz NCXNZCVAIXRVIY-UHFFFAOYSA-N 0 0 366.056 5.063 10 0 FKAERN Cc1cccc2nc(-c3ccc(Br)cc3Br)oc21 ZINC000073638188 205031915 /nfs/dbraw/zinc/03/19/15/205031915.db2.gz JOUYGOAKXJWEJU-UHFFFAOYSA-N 0 0 367.040 5.328 10 0 FKAERN Cc1ccc2oc(-c3ccc(Br)cc3Br)nc2c1 ZINC000073638189 205032117 /nfs/dbraw/zinc/03/21/17/205032117.db2.gz BBLOYAKJMSHQTC-UHFFFAOYSA-N 0 0 367.040 5.328 10 0 FKAERN Cc1ccc2nc(-c3ccc(Br)cc3Br)oc2c1 ZINC000073638191 208187877 /nfs/dbraw/zinc/18/78/77/208187877.db2.gz OPNPMUARKJGQIJ-UHFFFAOYSA-N 0 0 367.040 5.328 10 0 FKAERN Fc1cc(Br)ccc1-c1nc2cc(Cl)cc(Cl)c2o1 ZINC000073638237 205031740 /nfs/dbraw/zinc/03/17/40/205031740.db2.gz RMXYXNBVNMHOEA-UHFFFAOYSA-N 0 0 360.997 5.703 10 0 FKAERN Fc1cc(Br)ccc1-c1nc2cc(-c3ccccc3)ccc2o1 ZINC000073638238 571109068 /nfs/dbraw/zinc/10/90/68/571109068.db2.gz SCZIMAQIEZLFPL-UHFFFAOYSA-N 0 0 368.205 6.063 10 0 FKAERN Brc1ccc2nc(-c3ccc(-c4ccccc4)cc3)sc2c1 ZINC000073638576 221564492 /nfs/dbraw/zinc/56/44/92/221564492.db2.gz PDBNTHAELPBNRN-UHFFFAOYSA-N 0 0 366.283 6.393 10 0 FKAERN Cc1cc2nc(-c3ccc(-c4ccccc4)cc3)oc2c(Br)c1 ZINC000073638600 571109394 /nfs/dbraw/zinc/10/93/94/571109394.db2.gz UIZJHFDOUFMAHQ-UHFFFAOYSA-N 0 0 364.242 6.233 10 0 FKAERN Brc1cncc(-c2nc3cc(-c4ccccc4)ccc3o2)c1 ZINC000073638616 211688190 /nfs/dbraw/zinc/68/81/90/211688190.db2.gz MMXKDPQHNZETCP-UHFFFAOYSA-N 0 0 351.203 5.319 10 0 FKAERN Brc1cc(-c2ccccc2)cc2nc(-c3ccncc3)oc21 ZINC000073638685 571109484 /nfs/dbraw/zinc/10/94/84/571109484.db2.gz DHJOWRWEXNIVBW-UHFFFAOYSA-N 0 0 351.203 5.319 10 0 FKAERN Clc1cc2nc(Cc3ccc(Br)cc3)oc2c(Cl)c1 ZINC000073638697 208188987 /nfs/dbraw/zinc/18/89/87/208188987.db2.gz HIKDEHJFESVGRM-UHFFFAOYSA-N 0 0 357.034 5.488 10 0 FKAERN CC(C)c1cc2nc(Cc3ccc(Cl)cc3)oc2c(Br)c1 ZINC000073638768 571109344 /nfs/dbraw/zinc/10/93/44/571109344.db2.gz GEJMDTGRQWINDI-UHFFFAOYSA-N 0 0 364.670 5.958 10 0 FKAERN CCc1cc2nc(Cc3ccc(Cl)cc3)oc2c(Br)c1 ZINC000073638769 208187738 /nfs/dbraw/zinc/18/77/38/208187738.db2.gz YEABWSBNWIVOHU-UHFFFAOYSA-N 0 0 350.643 5.397 10 0 FKAERN Cc1cc2nc(Cc3ccc(Cl)cc3)oc2c(Br)c1C ZINC000073638782 208188843 /nfs/dbraw/zinc/18/88/43/208188843.db2.gz UCQSTTJSXBORBG-UHFFFAOYSA-N 0 0 350.643 5.451 10 0 FKAERN Brc1ccc(Cc2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000073638787 571109387 /nfs/dbraw/zinc/10/93/87/571109387.db2.gz DTTUUWCXZBBJAE-UHFFFAOYSA-N 0 0 364.242 5.848 10 0 FKAERN Brc1cc(-c2ccccc2)cc2nc(Cc3ccccc3)oc21 ZINC000073638793 221564671 /nfs/dbraw/zinc/56/46/71/221564671.db2.gz VXDPERHWVALCAA-UHFFFAOYSA-N 0 0 364.242 5.848 10 0 FKAERN Clc1cccc2sc(-c3ccc(I)cc3)nc21 ZINC000073638895 571109513 /nfs/dbraw/zinc/10/95/13/571109513.db2.gz HXGQYMDOBDXLRV-UHFFFAOYSA-N 0 0 371.630 5.221 10 0 FKAERN Brc1ccc2nc(-c3ccccc3Br)sc2c1 ZINC000073638897 571109284 /nfs/dbraw/zinc/10/92/84/571109284.db2.gz HEKQTNWSFFUPJY-UHFFFAOYSA-N 0 0 369.081 5.488 10 0 FKAERN Brc1ccc2nc(-c3cccc(Br)c3)sc2c1 ZINC000073638908 571109487 /nfs/dbraw/zinc/10/94/87/571109487.db2.gz JXXWUCLWUFNHKD-UHFFFAOYSA-N 0 0 369.081 5.488 10 0 FKAERN Brc1ccc(-c2nc3ccc(Br)cc3s2)cc1 ZINC000073638914 221564911 /nfs/dbraw/zinc/56/49/11/221564911.db2.gz AVGMWETZPMEOIJ-UHFFFAOYSA-N 0 0 369.081 5.488 10 0 FKAERN Clc1ccc2nc(-c3ccc(I)cc3)sc2c1 ZINC000073638923 571109340 /nfs/dbraw/zinc/10/93/40/571109340.db2.gz ILDSUYFVYIRJSH-UHFFFAOYSA-N 0 0 371.630 5.221 10 0 FKAERN Clc1ccc2nc(-c3cccc(I)c3)sc2c1 ZINC000073638925 571109528 /nfs/dbraw/zinc/10/95/28/571109528.db2.gz CKTHEMWMXSEJND-UHFFFAOYSA-N 0 0 371.630 5.221 10 0 FKAERN Nc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1 ZINC000073639068 205032113 /nfs/dbraw/zinc/03/21/13/205032113.db2.gz FHBRMBOIZIOBFT-UHFFFAOYSA-N 0 0 365.230 5.507 10 0 FKAERN CC(C)c1ccc2oc(-c3ccc(I)cc3)nc2c1 ZINC000073639076 571109348 /nfs/dbraw/zinc/10/93/48/571109348.db2.gz VNUYRGQASVNGNE-UHFFFAOYSA-N 0 0 363.198 5.223 10 0 FKAERN CC(C)c1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000073639077 571109318 /nfs/dbraw/zinc/10/93/18/571109318.db2.gz OUDCFDGBCRDVAB-UHFFFAOYSA-N 0 0 363.198 5.223 10 0 FKAERN Nc1cccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c1 ZINC000073639106 211689107 /nfs/dbraw/zinc/68/91/07/211689107.db2.gz DSSWZGDMTOCRPQ-UHFFFAOYSA-N 0 0 365.230 5.507 10 0 FKAERN CCc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 ZINC000073639126 205031541 /nfs/dbraw/zinc/03/15/41/205031541.db2.gz PXBXAZLORGTNQP-UHFFFAOYSA-N 0 0 352.231 5.973 10 0 FKAERN CC(C)c1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 ZINC000073639128 571109540 /nfs/dbraw/zinc/10/95/40/571109540.db2.gz OEVKGCGGQUHBAS-UHFFFAOYSA-N 0 0 366.258 6.534 10 0 FKAERN Cc1cc2nc(-c3cccc4c(Br)cccc34)oc2c(C)c1 ZINC000073639147 571109335 /nfs/dbraw/zinc/10/93/35/571109335.db2.gz JGIFVIOOOVBOLJ-UHFFFAOYSA-N 0 0 352.231 6.027 10 0 FKAERN Cc1cc2nc(-c3cccc4c(Br)cccc34)oc2cc1C ZINC000073639148 571109324 /nfs/dbraw/zinc/10/93/24/571109324.db2.gz RLMFXMLJASYSHY-UHFFFAOYSA-N 0 0 352.231 6.027 10 0 FKAERN Cc1cc2nc(-c3cccc4c(Cl)cccc34)oc2c(Br)c1 ZINC000073639158 571109500 /nfs/dbraw/zinc/10/95/00/571109500.db2.gz RBBOZSAQHTWKJJ-UHFFFAOYSA-N 0 0 372.649 6.372 10 0 FKAERN Clc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 ZINC000073639167 211689003 /nfs/dbraw/zinc/68/90/03/211689003.db2.gz XMQHVMRCUUHJOJ-UHFFFAOYSA-N 0 0 358.622 6.064 10 0 FKAERN Clc1ccc2[nH]c(-c3cccc4c(Br)cccc34)nc2c1 ZINC000073639193 205032076 /nfs/dbraw/zinc/03/20/76/205032076.db2.gz PLKFTYVEKDSSLV-UHFFFAOYSA-N 0 0 357.638 5.799 10 0 FKAERN Cc1cc2[nH]c(-c3cccc4c(Br)cccc34)nc2cc1Cl ZINC000073639196 205032150 /nfs/dbraw/zinc/03/21/50/205032150.db2.gz YPGMTKQYNJAWII-UHFFFAOYSA-N 0 0 371.665 6.107 10 0 FKAERN Nc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)c(Br)c1 ZINC000073639337 571109424 /nfs/dbraw/zinc/10/94/24/571109424.db2.gz VPGDFTAKAFRSNK-UHFFFAOYSA-N 0 0 365.230 5.507 10 0 FKAERN Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)c(Br)c1 ZINC000073639340 221564930 /nfs/dbraw/zinc/56/49/30/221564930.db2.gz PMRJTVMKJGIKCS-UHFFFAOYSA-N 0 0 358.022 5.146 10 0 FKAERN Cc1cc(-n2cnnc2)cc2nc(-c3cccc4c(Cl)cccc34)oc21 ZINC000073639411 571109287 /nfs/dbraw/zinc/10/92/87/571109287.db2.gz XOTHAGSPHMKZER-UHFFFAOYSA-N 0 0 360.804 5.191 10 0 FKAERN Cc1ccccc1-c1nc2cc(-c3ccccc3)cc(Br)c2o1 ZINC000073639682 205032568 /nfs/dbraw/zinc/03/25/68/205032568.db2.gz QUPKRBAAVGCDDB-UHFFFAOYSA-N 0 0 364.242 6.233 10 0 FKAERN Cc1cccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c1 ZINC000073639684 571109474 /nfs/dbraw/zinc/10/94/74/571109474.db2.gz DMVMAZCTNWETQB-UHFFFAOYSA-N 0 0 364.242 6.233 10 0 FKAERN Cc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1 ZINC000073639686 571109396 /nfs/dbraw/zinc/10/93/96/571109396.db2.gz KQJZKRUDBCXCRZ-UHFFFAOYSA-N 0 0 364.242 6.233 10 0 FKAERN CCc1cc2nc(-c3ccc(C(C)(C)C)cc3)oc2c(Br)c1 ZINC000073639714 571109412 /nfs/dbraw/zinc/10/94/12/571109412.db2.gz GJMCYVGVRBWIDM-UHFFFAOYSA-N 0 0 358.279 6.117 10 0 FKAERN CC(C)c1ccc(-c2nc3cc(C(C)C)cc(Br)c3o2)cc1 ZINC000073639721 205031796 /nfs/dbraw/zinc/03/17/96/205031796.db2.gz UNYIZXNKPCOBGO-UHFFFAOYSA-N 0 0 358.279 6.504 10 0 FKAERN CC(C)c1cc2nc(-c3ccc(C(C)(C)C)cc3)oc2c(Br)c1 ZINC000073639722 208188934 /nfs/dbraw/zinc/18/89/34/208188934.db2.gz KAVBKBGOIMFKIB-UHFFFAOYSA-N 0 0 372.306 6.678 10 0 FKAERN Cc1cc2[nH]c(-c3cc(Br)ccc3Cl)nc2cc1Cl ZINC000073639912 571109358 /nfs/dbraw/zinc/10/93/58/571109358.db2.gz ABHXLXCHJXKGSF-UHFFFAOYSA-N 0 0 356.050 5.608 10 0 FKAERN CCc1cc(N)cc2nc(-c3cccc4c(Br)cccc34)oc21 ZINC000073642683 205032392 /nfs/dbraw/zinc/03/23/92/205032392.db2.gz DRRZCUOQPNQLRV-UHFFFAOYSA-N 0 0 367.246 5.555 10 0 FKAERN O=C1NC(=O)C(=Cc2ccc(OCCC3CCCCC3)c(Cl)c2)S1 ZINC000077285616 571320914 /nfs/dbraw/zinc/32/09/14/571320914.db2.gz DBBGLVJTGXKCHY-LFIBNONCSA-N 0 0 365.882 5.013 10 0 in-vitro FKAERN CN(CCC=C1c2ccccc2C=Cc2ccccc21)C(=O)OC(C)(C)C ZINC000077287184 517924715 /nfs/dbraw/zinc/92/47/15/517924715.db2.gz FRZTVRMGHLWCSK-UHFFFAOYSA-N 0 0 361.485 5.859 10 0 in-vitro FKAERN CCc1ccc(C(=O)N(c2ccccc2)c2ccccc2)c2ccccc12 ZINC000077292319 203802471 /nfs/dbraw/zinc/80/24/71/203802471.db2.gz FLUGAJPRMXKGGU-UHFFFAOYSA-N 0 0 351.449 6.381 10 0 in-vitro FKAERN COc1cc(C(C)=O)c(OCc2ccccc2)cc1OCc1ccccc1 ZINC000077302265 210067574 /nfs/dbraw/zinc/06/75/74/210067574.db2.gz UKVLAHANEXQLKD-UHFFFAOYSA-N 0 0 362.425 5.056 10 0 in-vitro FKAERN CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C(=O)OCC)=C[C@@H]21 ZINC000077311995 571058642 /nfs/dbraw/zinc/05/86/42/571058642.db2.gz SOCHNPHPKBRBTC-QZTJIDSGSA-N 0 0 372.505 5.279 10 0 in-vitro FKAERN Cc1ccccc1[C@@H](C)NC(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000078460342 208926080 /nfs/dbraw/zinc/92/60/80/208926080.db2.gz JZQKWLGFEYDIIX-CQSZACIVSA-N 0 0 366.383 5.127 10 0 FKAERN COc1ccc2oc([C@H](C)NC(=O)N[C@@H](C)c3ccccc3C)c(C)c2c1 ZINC000078545007 208927823 /nfs/dbraw/zinc/92/78/23/208927823.db2.gz RUPJLGBBGJXSNL-HOTGVXAUSA-N 0 0 366.461 5.180 10 0 FKAERN Clc1cccc(Cl)c1CSc1nccc(/C=C\c2ccccc2)n1 ZINC000083308847 526979156 /nfs/dbraw/zinc/97/91/56/526979156.db2.gz HBDMKQRHRLSPJS-KTKRTIGZSA-N 0 0 373.308 6.246 10 0 FKAERN O=[N+]([O-])/C=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000083313367 527319182 /nfs/dbraw/zinc/31/91/82/527319182.db2.gz CHTJRVASYXOBSO-YPKPFQOOSA-N 0 0 361.397 5.092 10 0 FKAERN CC(C)(C)OC(=O)N1CCC(CSc2nc3ccccc3s2)CC1 ZINC000085332730 518802460 /nfs/dbraw/zinc/80/24/60/518802460.db2.gz SCRAAEOHPWTWDZ-UHFFFAOYSA-N 0 0 364.536 5.036 10 0 FKAERN CC(C)(C)OC(=O)N1CCC[C@H](CSc2nc3ccccc3s2)C1 ZINC000085332734 518806727 /nfs/dbraw/zinc/80/67/27/518806727.db2.gz LNKPHJPWRXDSNO-ZDUSSCGKSA-N 0 0 364.536 5.036 10 0 FKAERN CC(C)(C)OC(=O)N1CCC[C@@H](CSc2nc3ccccc3s2)C1 ZINC000085332738 518805842 /nfs/dbraw/zinc/80/58/42/518805842.db2.gz LNKPHJPWRXDSNO-CYBMUJFWSA-N 0 0 364.536 5.036 10 0 FKAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CSc1nc2ccccc2s1 ZINC000085332741 518804243 /nfs/dbraw/zinc/80/42/43/518804243.db2.gz RHSWNKXXALUZSQ-CYBMUJFWSA-N 0 0 364.536 5.178 10 0 FKAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CSc1nc2ccccc2s1 ZINC000085332746 518803859 /nfs/dbraw/zinc/80/38/59/518803859.db2.gz RHSWNKXXALUZSQ-ZDUSSCGKSA-N 0 0 364.536 5.178 10 0 FKAERN Cc1cc2[nH]c(-c3ccc(-c4ccc(Br)cc4)o3)nc2c(C)c1 ZINC000085345311 571274601 /nfs/dbraw/zinc/27/46/01/571274601.db2.gz OBVHHUOJURIXHQ-UHFFFAOYSA-N 0 0 367.246 5.869 10 0 FKAERN Cc1ccc2[nH]c(-c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000085345313 205167007 /nfs/dbraw/zinc/16/70/07/205167007.db2.gz HZYYKIHATKUBOE-UHFFFAOYSA-N 0 0 353.219 5.561 10 0 FKAERN Clc1ccc2[nH]c(-c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000085345315 571274599 /nfs/dbraw/zinc/27/45/99/571274599.db2.gz KJYFVDDONPORNC-UHFFFAOYSA-N 0 0 373.637 5.906 10 0 FKAERN Clc1ccc2[nH]c(-c3ccc(-c4cccc(Cl)c4Cl)o3)nc2c1 ZINC000085345320 571274605 /nfs/dbraw/zinc/27/46/05/571274605.db2.gz ZUYNVUGEZKSWGN-UHFFFAOYSA-N 0 0 363.631 6.450 10 0 FKAERN Cc1cc2[nH]c(-c3ccc(-c4cccc(Cl)c4Cl)o3)nc2c(C)c1 ZINC000085345328 571274566 /nfs/dbraw/zinc/27/45/66/571274566.db2.gz ITSQEFDKLSOSNP-UHFFFAOYSA-N 0 0 357.240 6.414 10 0 FKAERN Cc1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4Cl)o3)nc2c(C)c1 ZINC000085345331 571274591 /nfs/dbraw/zinc/27/45/91/571274591.db2.gz KCJAVSANNVJNMK-UHFFFAOYSA-N 0 0 357.240 6.414 10 0 FKAERN Clc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4Cl)o3)nc2c1 ZINC000085345338 571274595 /nfs/dbraw/zinc/27/45/95/571274595.db2.gz FTMKVEMVFGGVIJ-UHFFFAOYSA-N 0 0 363.631 6.450 10 0 FKAERN Cc1cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c(C)c1 ZINC000085345348 571274727 /nfs/dbraw/zinc/27/47/27/571274727.db2.gz SOAJDYKLHPZZQU-UHFFFAOYSA-N 0 0 357.240 6.414 10 0 FKAERN Clc1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 ZINC000085345353 571274778 /nfs/dbraw/zinc/27/47/78/571274778.db2.gz QQTNHDXNQDMHFX-UHFFFAOYSA-N 0 0 363.631 6.450 10 0 FKAERN Clc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)c(Cl)c4)o3)nc2c1 ZINC000085345354 205167357 /nfs/dbraw/zinc/16/73/57/205167357.db2.gz BPOBKNXACWOJET-UHFFFAOYSA-N 0 0 363.631 6.450 10 0 FKAERN Cc1cc2[nH]c(-c3ccc(-c4ccc(Cl)c(Cl)c4)o3)nc2c(C)c1 ZINC000085345363 571274709 /nfs/dbraw/zinc/27/47/09/571274709.db2.gz QXUZKGUMZZKMFO-UHFFFAOYSA-N 0 0 357.240 6.414 10 0 FKAERN Clc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)o2)c(Br)c1 ZINC000085345383 571274744 /nfs/dbraw/zinc/27/47/44/571274744.db2.gz MSPQHGYCEADHIK-UHFFFAOYSA-N 0 0 373.637 5.906 10 0 FKAERN Cc1ccc2[nH]c(-c3ccc(-c4ccc(Br)cc4C)o3)nc2c1 ZINC000085345536 571274693 /nfs/dbraw/zinc/27/46/93/571274693.db2.gz UYKDKOONVBBCPF-UHFFFAOYSA-N 0 0 367.246 5.869 10 0 FKAERN Cc1cc(Br)ccc1-c1ccc(-c2nc3ccccc3[nH]2)o1 ZINC000085345538 571274705 /nfs/dbraw/zinc/27/47/05/571274705.db2.gz PQXZZELCYQECJU-UHFFFAOYSA-N 0 0 353.219 5.561 10 0 FKAERN CC(C)(C)OC(=O)n1cc(Br)c2cc(-c3ccccc3)cnc21 ZINC000085347854 205660884 /nfs/dbraw/zinc/66/08/84/205660884.db2.gz BVMNZGAFQZEWOF-UHFFFAOYSA-N 0 0 373.250 5.249 10 0 FKAERN COc1c(C)c(C/C=C(/C)CC/C=C(\C)CO)c(OC)c2ccccc21 ZINC000085473377 521786032 /nfs/dbraw/zinc/78/60/32/521786032.db2.gz DRXBPDNOLVKFGG-DXRKZYGRSA-N 0 0 354.490 5.373 10 0 FKAERN COc1c(C)c(C/C=C(\C)CC/C=C(/C)CO)c(OC)c2ccccc21 ZINC000085473380 521786463 /nfs/dbraw/zinc/78/64/63/521786463.db2.gz DRXBPDNOLVKFGG-OJSSGOHWSA-N 0 0 354.490 5.373 10 0 FKAERN COc1c(C)c(C/C=C(/C)CC/C=C(/C)CO)c(OC)c2ccccc21 ZINC000085473382 521785443 /nfs/dbraw/zinc/78/54/43/521785443.db2.gz DRXBPDNOLVKFGG-DPQSGXNNSA-N 0 0 354.490 5.373 10 0 FKAERN CC(C)(c1ccc(O)cc1)c1c(Cl)cc(OCl)c(Cl)c1Cl ZINC000085483136 205661780 /nfs/dbraw/zinc/66/17/80/205661780.db2.gz PJWJREHXGREYAC-UHFFFAOYSA-N 0 0 366.071 6.211 10 0 FKAERN CC/C=C\C/C=C/C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC ZINC000085483808 208963395 /nfs/dbraw/zinc/96/33/95/208963395.db2.gz VCSQUSNNIFZJAP-ZSMRCIJJSA-N 0 0 358.566 7.251 10 0 FKAERN CC(C)(C)OC(=O)Nc1ccc(-c2ccc(-c3ccccc3)cc2)c(N)c1 ZINC000089194921 205662651 /nfs/dbraw/zinc/66/26/51/205662651.db2.gz WJACVDWNAAVOCY-UHFFFAOYSA-N 0 0 360.457 5.950 10 0 FKAERN O=C(c1ccccc1)c1cc2c[nH]nc2c(-c2cc3ccccc3s2)c1 ZINC000089197041 208965415 /nfs/dbraw/zinc/96/54/15/208965415.db2.gz KGPWAVIDARNHML-UHFFFAOYSA-N 0 0 354.434 5.676 10 0 FKAERN CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCCN1C(=O)C=CC1=O ZINC000090427583 519916639 /nfs/dbraw/zinc/91/66/39/519916639.db2.gz GZNZRHSGGQUYAP-BJCBFJDFSA-N 0 0 369.549 6.057 10 0 FKAERN Clc1ccc(Cc2cc3cc(Br)ccc3nc2Cl)cc1 ZINC000090487531 203924612 /nfs/dbraw/zinc/92/46/12/203924612.db2.gz ABQWHPYCFIIQNG-UHFFFAOYSA-N 0 0 367.073 5.895 10 0 FKAERN Brc1ccc(-c2nc3ccccc3c(-c3ccccc3)n2)cc1 ZINC000090549474 518207766 /nfs/dbraw/zinc/20/77/66/518207766.db2.gz FARAOARIVJZINN-UHFFFAOYSA-N 0 0 361.242 5.726 10 0 FKAERN COc1cccc(N(C/C=C\c2ccccc2)C/C=C\c2ccccc2)c1 ZINC000090554828 526134054 /nfs/dbraw/zinc/13/40/54/526134054.db2.gz LTTPOOFFLYDCED-VULZFCBJSA-N 0 0 355.481 5.928 10 0 FKAERN COc1cccc(N(C/C=C/c2ccccc2)C/C=C\c2ccccc2)c1 ZINC000090554829 526133555 /nfs/dbraw/zinc/13/35/55/526133555.db2.gz LTTPOOFFLYDCED-CKOAPEAFSA-N 0 0 355.481 5.928 10 0 FKAERN O=C(Nc1ccccc1)c1cccc2cc(-c3cccc4cnccc43)ccc21 ZINC000090624117 527399911 /nfs/dbraw/zinc/39/99/11/527399911.db2.gz USSVUSUPKNGFQT-UHFFFAOYSA-N 0 0 374.443 6.307 10 0 FKAERN O=C(Nc1ccc2cc(-c3ccc4n[nH]cc4c3)ccc2c1)c1cccs1 ZINC000090624485 527294788 /nfs/dbraw/zinc/29/47/88/527294788.db2.gz KMHKREXKLQIXTI-UHFFFAOYSA-N 0 0 369.449 5.697 10 0 FKAERN O=C(Nc1ccc2cc(-c3ccc4cc[nH]c4c3)ccc2c1)c1ccsc1 ZINC000090624566 527294621 /nfs/dbraw/zinc/29/46/21/527294621.db2.gz ZAXYEJSQVZYCTB-UHFFFAOYSA-N 0 0 368.461 6.302 10 0 FKAERN O=C(Nc1ccc2cc(-c3ccc4[nH]ccc4c3)ccc2c1)c1ccsc1 ZINC000090624567 527294137 /nfs/dbraw/zinc/29/41/37/527294137.db2.gz COIRTYOMXFHASH-UHFFFAOYSA-N 0 0 368.461 6.302 10 0 FKAERN O=C(Nc1ccc2cc(-c3ccc4n[nH]cc4c3)ccc2c1)c1ccsc1 ZINC000090624568 527294292 /nfs/dbraw/zinc/29/42/92/527294292.db2.gz ZXESJCIXCUBZES-UHFFFAOYSA-N 0 0 369.449 5.697 10 0 FKAERN O=C(Nc1ccc2cc(-c3cccc4[nH]ccc43)ccc2c1)c1ccsc1 ZINC000090624569 527294891 /nfs/dbraw/zinc/29/48/91/527294891.db2.gz VZABBZWRZJMFQU-UHFFFAOYSA-N 0 0 368.461 6.302 10 0 FKAERN O=C(Nc1ccc2cc(-c3cccc4n[nH]cc43)ccc2c1)c1ccsc1 ZINC000090624570 527294862 /nfs/dbraw/zinc/29/48/62/527294862.db2.gz GEASIZWGBAFGDU-UHFFFAOYSA-N 0 0 369.449 5.697 10 0 FKAERN C(=C/c1ccnc(-c2cc(/C=C/c3ccccc3)ccn2)c1)\c1ccccc1 ZINC000090751270 518371665 /nfs/dbraw/zinc/37/16/65/518371665.db2.gz OFZKDHVEYWXZKM-PHEQNACWSA-N 0 0 360.460 6.484 10 0 FKAERN CCC[C@@H](C(=O)c1ccc(Cl)cc1)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000091301750 221749757 /nfs/dbraw/zinc/74/97/57/221749757.db2.gz MVKNEARMFYZESR-LJQANCHMSA-N 0 0 372.892 6.062 10 0 FKAERN CC(=O)c1cc(Cl)c(OCc2ccccc2)cc1OCc1ccccc1 ZINC000091302044 518279724 /nfs/dbraw/zinc/27/97/24/518279724.db2.gz KEUCDMZJTGJAQX-UHFFFAOYSA-N 0 0 366.844 5.701 10 0 FKAERN Cc1nc(-c2cccc(C3=CCN(C(=O)OC(C)(C)C)CC3)c2)cs1 ZINC000091353222 526582858 /nfs/dbraw/zinc/58/28/58/526582858.db2.gz HDDPLQNVJMUISC-UHFFFAOYSA-N 0 0 356.491 5.143 10 0 FKAERN Cc1nc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cs1 ZINC000091353224 526582335 /nfs/dbraw/zinc/58/23/35/526582335.db2.gz MBJWLLQUXAQMOA-UHFFFAOYSA-N 0 0 358.507 5.233 10 0 FKAERN CCN(CC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000091362299 520387351 /nfs/dbraw/zinc/38/73/51/520387351.db2.gz FSVVFTWLPMNBBB-UHFFFAOYSA-N 0 0 366.464 5.611 10 0 FKAERN CN(CC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000091362304 522535957 /nfs/dbraw/zinc/53/59/57/522535957.db2.gz JDMQQEJQOZQEMB-UHFFFAOYSA-N 0 0 352.437 5.221 10 0 FKAERN c1ccc(CN2COc3c(c4ccccc4nc3-c3ccccc3)C2)cc1 ZINC000091363962 208974357 /nfs/dbraw/zinc/97/43/57/208974357.db2.gz MLOHKLAADNHZKU-UHFFFAOYSA-N 0 0 352.437 5.254 10 0 FKAERN CCCCc1nnc(Cl)cc1-c1ccc(OCc2ccccc2)cc1 ZINC000091365841 221755494 /nfs/dbraw/zinc/75/54/94/221755494.db2.gz PDBVYXMZYLCJCM-UHFFFAOYSA-N 0 0 352.865 5.719 10 0 FKAERN C[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(Cl)s1 ZINC000093076424 568719986 /nfs/dbraw/zinc/71/99/86/568719986.db2.gz UUELFLDPHPEQSA-ZETCQYMHSA-N 0 0 351.752 5.050 10 0 FKAERN Clc1cccc(-c2nc(-c3ccc(Br)cc3)cs2)c1 ZINC000095081697 205721175 /nfs/dbraw/zinc/72/11/75/205721175.db2.gz LSUQFICRXCMMGA-UHFFFAOYSA-N 0 0 350.668 5.893 10 0 FKAERN Clc1ccc(-c2nc(-c3cccc(Br)c3)cs2)cc1 ZINC000095082115 205721081 /nfs/dbraw/zinc/72/10/81/205721081.db2.gz OSADLLKFJCHMDI-UHFFFAOYSA-N 0 0 350.668 5.893 10 0 FKAERN C[C@H](OCCC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000095089507 209020981 /nfs/dbraw/zinc/02/09/81/209020981.db2.gz WHWNRWPRWNNUAS-HOTGVXAUSA-N 0 0 353.528 5.396 10 0 FKAERN C[C@@H](OCCC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000095089508 209021053 /nfs/dbraw/zinc/02/10/53/209021053.db2.gz WHWNRWPRWNNUAS-CVEARBPZSA-N 0 0 353.528 5.396 10 0 FKAERN C[C@@H](OCCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccs1 ZINC000095089532 205722290 /nfs/dbraw/zinc/72/22/90/205722290.db2.gz RHXLTKWCSQZQIO-CVEARBPZSA-N 0 0 353.528 5.253 10 0 FKAERN C[C@@H](OCCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccs1 ZINC000095089534 209021545 /nfs/dbraw/zinc/02/15/45/209021545.db2.gz RHXLTKWCSQZQIO-HZPDHXFCSA-N 0 0 353.528 5.253 10 0 FKAERN Cc1cc(-c2ccc(OC(C)C)cc2)cc(-c2ccc(OC(C)C)cc2)n1 ZINC000095116761 571328665 /nfs/dbraw/zinc/32/86/65/571328665.db2.gz SIRYASKKZZINSJ-UHFFFAOYSA-N 0 0 361.485 6.298 10 0 FKAERN O=C(Nc1ccccc1)c1c(=S)[nH]c(-c2ccccc2)c2c1CCCC2 ZINC000095117544 571328691 /nfs/dbraw/zinc/32/86/91/571328691.db2.gz MOLSZCZQRUWBIH-UHFFFAOYSA-N 0 0 360.482 5.542 10 0 FKAERN Cc1ccccc1NC(=O)c1c2c(c(-c3ccccc3)[nH]c1=S)CCCC2 ZINC000095117552 571328672 /nfs/dbraw/zinc/32/86/72/571328672.db2.gz HEGLVKFAIVQUEN-UHFFFAOYSA-N 0 0 374.509 5.851 10 0 FKAERN O=C(NCc1ccccc1)c1c(=S)[nH]c(-c2ccccc2)c2c1CCCC2 ZINC000095117553 209021003 /nfs/dbraw/zinc/02/10/03/209021003.db2.gz KTXGVRXBKIQPFY-UHFFFAOYSA-N 0 0 374.509 5.220 10 0 FKAERN CSc1nc(-c2ccccc2)c2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000095117559 571328670 /nfs/dbraw/zinc/32/86/70/571328670.db2.gz KKMWQZIQPHOJPZ-UHFFFAOYSA-N 0 0 374.509 5.602 10 0 FKAERN C[C@@H]1CCc2c(c(C(=O)Nc3ccccc3)c(=S)[nH]c2-c2ccccc2)C1 ZINC000095117590 205723887 /nfs/dbraw/zinc/72/38/87/205723887.db2.gz ZTANSKYNEPEONM-OAHLLOKOSA-N 0 0 374.509 5.788 10 0 FKAERN C[C@H]1CCc2c(c(C(=O)Nc3ccccc3)c(=S)[nH]c2-c2ccccc2)C1 ZINC000095117591 221849513 /nfs/dbraw/zinc/84/95/13/221849513.db2.gz ZTANSKYNEPEONM-HNNXBMFYSA-N 0 0 374.509 5.788 10 0 FKAERN COc1ccc(COc2cc(Br)ccc2C(F)(F)F)cc1 ZINC000095348064 570451825 /nfs/dbraw/zinc/45/18/25/570451825.db2.gz VHMLZTGNXLECJP-UHFFFAOYSA-N 0 0 361.157 5.056 10 0 FKAERN C[C@H](Nc1nn2cc(C(C)(C)C)nc2s1)c1ccccc1C(F)(F)F ZINC000095369487 571329005 /nfs/dbraw/zinc/32/90/05/571329005.db2.gz FUCXHJYESPLFEB-JTQLQIEISA-N 0 0 368.428 5.280 10 0 FKAERN C[C@@H](Nc1nn2cc(C(C)(C)C)nc2s1)c1ccccc1C(F)(F)F ZINC000095369488 571329008 /nfs/dbraw/zinc/32/90/08/571329008.db2.gz FUCXHJYESPLFEB-SNVBAGLBSA-N 0 0 368.428 5.280 10 0 FKAERN Cc1csc([C@@H]2CCCCN2c2ncnc3sc4c(c32)CCCC4)n1 ZINC000095393667 132210689 /nfs/dbraw/zinc/21/06/89/132210689.db2.gz ACPKYRYMWXTIPY-AWEZNQCLSA-N 0 0 370.547 5.067 10 0 FKAERN Cc1csc([C@H]2CCCCN2c2ncnc3sc4c(c32)CCCC4)n1 ZINC000095393668 132210714 /nfs/dbraw/zinc/21/07/14/132210714.db2.gz ACPKYRYMWXTIPY-CQSZACIVSA-N 0 0 370.547 5.067 10 0 FKAERN Clc1ccc(C(Br)=C(c2ccccc2)c2ccccc2)cc1 ZINC000095793306 209085165 /nfs/dbraw/zinc/08/51/65/209085165.db2.gz LUFBUHNWDHJVBG-UHFFFAOYSA-N 0 0 369.689 6.652 10 0 FKAERN CC1(C)c2ccccc2-c2cc(Nc3ccc(-c4ccccc4)cc3)ccc21 ZINC000095829999 221971712 /nfs/dbraw/zinc/97/17/12/221971712.db2.gz NJXDAKUYTRAHCM-UHFFFAOYSA-N 0 0 361.488 7.404 10 0 FKAERN CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)[O-] ZINC000095858862 717140445 /nfs/dbraw/zinc/14/04/45/717140445.db2.gz HVYJSOSGTDINLW-UHFFFAOYSA-O 0 0 356.615 6.409 10 0 FKAERN COc1ccc(-n2nc(-c3cc4ccccc4o3)c3c2NCCCC3)cc1 ZINC000095921868 209086779 /nfs/dbraw/zinc/08/67/79/209086779.db2.gz MIXLYSYIBOLXQJ-UHFFFAOYSA-N 0 0 359.429 5.042 10 0 FKAERN CCCC1CCC(C2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000095931281 209087403 /nfs/dbraw/zinc/08/74/03/209087403.db2.gz ULWMBTSKFAJFAB-UHFFFAOYSA-N 0 0 352.484 7.586 10 0 FKAERN COC(=O)CCCCCCC/C=C/C[C@H](O)CCCCCCC(C)=O ZINC000095931969 209087216 /nfs/dbraw/zinc/08/72/16/209087216.db2.gz OLKMRPQUJXQEQI-BESKYLIDSA-N 0 0 354.531 5.127 10 0 FKAERN CCN(CC)c1ccc2cc(-c3nc4cc(C)c(C)cc4o3)c(=O)oc2c1 ZINC000095933188 209086477 /nfs/dbraw/zinc/08/64/77/209086477.db2.gz MMRQSPGNSYZEAX-UHFFFAOYSA-N 0 0 362.429 5.064 10 0 FKAERN Cc1ccccc1[C@H](CC(=O)C[C@H](c1ccccc1C)C1CCC1)C1CCC1 ZINC000095933703 209087440 /nfs/dbraw/zinc/08/74/40/209087440.db2.gz RFMZPRMQVRJDTR-MKPDMIMOSA-N 0 0 374.568 7.120 10 0 FKAERN Cc1ccccc1[C@H](CC(=O)C[C@@H](c1ccccc1C)C1CCC1)C1CCC1 ZINC000095933704 205795532 /nfs/dbraw/zinc/79/55/32/205795532.db2.gz RFMZPRMQVRJDTR-KAYWLYCHSA-N 0 0 374.568 7.120 10 0 FKAERN Cc1ccccc1[C@@H](CC(=O)C[C@H](c1ccccc1C)C1CCC1)C1CCC1 ZINC000095933705 209087205 /nfs/dbraw/zinc/08/72/05/209087205.db2.gz RFMZPRMQVRJDTR-SVBPBHIXSA-N 0 0 374.568 7.120 10 0 FKAERN Cc1ccc([C@@H](CC(=O)C[C@H](c2ccc(C)cc2)C2CCC2)C2CCC2)cc1 ZINC000095933733 221974176 /nfs/dbraw/zinc/97/41/76/221974176.db2.gz KRHXEFLEDYTESU-SVBPBHIXSA-N 0 0 374.568 7.120 10 0 FKAERN COc1c(C(=O)c2cccc(C3CCC3)c2OC)cccc1C1CCC1 ZINC000095933748 209087279 /nfs/dbraw/zinc/08/72/79/209087279.db2.gz DFHIMKPPQAXHCO-UHFFFAOYSA-N 0 0 350.458 5.470 10 0 FKAERN O=C(c1cc(F)cc(F)c1C1CCC1)c1cc(F)cc(F)c1C1CCC1 ZINC000095933764 205794861 /nfs/dbraw/zinc/79/48/61/205794861.db2.gz SVQFICVVASMGOR-UHFFFAOYSA-N 0 0 362.366 6.009 10 0 FKAERN Cc1ccc(C(=O)c2ccc(C)c(C3CCCC3)c2C)c(C)c1C1CCCC1 ZINC000095933925 221973831 /nfs/dbraw/zinc/97/38/31/221973831.db2.gz XAUCQTWSLBEYNU-UHFFFAOYSA-N 0 0 374.568 7.466 10 0 FKAERN Cc1cc(C(=O)c2cc(C)cc(C3CCCC3)c2C)c(C)c(C2CCCC2)c1 ZINC000095933927 209086242 /nfs/dbraw/zinc/08/62/42/209086242.db2.gz CHSDWRVTTARQBR-UHFFFAOYSA-N 0 0 374.568 7.466 10 0 FKAERN Cc1ccc(C2CCCC2)c(C)c1C(=O)c1c(C)ccc(C2CCCC2)c1C ZINC000095933928 205795127 /nfs/dbraw/zinc/79/51/27/205795127.db2.gz QJPSPSXBKFCRMU-UHFFFAOYSA-N 0 0 374.568 7.466 10 0 FKAERN O=C(c1cccc(F)c1C1CCCC1)c1cccc(F)c1C1CCCC1 ZINC000095933946 209087461 /nfs/dbraw/zinc/08/74/61/209087461.db2.gz GSFXFTLNZGXQEZ-UHFFFAOYSA-N 0 0 354.440 6.511 10 0 FKAERN Cc1cccc([C@H](CC(=O)C[C@H](c2cccc(C)c2C)C2CC2)C2CC2)c1C ZINC000095933961 221973409 /nfs/dbraw/zinc/97/34/09/221973409.db2.gz YMLWMASISBNNFS-MKPDMIMOSA-N 0 0 374.568 6.957 10 0 FKAERN Cc1cccc([C@@H](CC(=O)C[C@H](c2cccc(C)c2C)C2CC2)C2CC2)c1C ZINC000095933963 205795323 /nfs/dbraw/zinc/79/53/23/205795323.db2.gz YMLWMASISBNNFS-SVBPBHIXSA-N 0 0 374.568 6.957 10 0 FKAERN Cc1ccc([C@H](CC(=O)C[C@@H](c2ccc(C)cc2C)C2CC2)C2CC2)c(C)c1 ZINC000095933965 209086126 /nfs/dbraw/zinc/08/61/26/209086126.db2.gz GVXLODDOJKISSR-KAYWLYCHSA-N 0 0 374.568 6.957 10 0 FKAERN Cc1ccc(C)c([C@H](CC(=O)C[C@H](c2cc(C)ccc2C)C2CC2)C2CC2)c1 ZINC000095933967 205794996 /nfs/dbraw/zinc/79/49/96/205794996.db2.gz AZQMWPHTKGRZEJ-MKPDMIMOSA-N 0 0 374.568 6.957 10 0 FKAERN Cc1ccc(C)c([C@@H](CC(=O)C[C@H](c2cc(C)ccc2C)C2CC2)C2CC2)c1 ZINC000095933969 221973631 /nfs/dbraw/zinc/97/36/31/221973631.db2.gz AZQMWPHTKGRZEJ-SVBPBHIXSA-N 0 0 374.568 6.957 10 0 FKAERN Cc1cccc(C)c1[C@H](CC(=O)C[C@@H](c1c(C)cccc1C)C1CC1)C1CC1 ZINC000095933971 205795702 /nfs/dbraw/zinc/79/57/02/205795702.db2.gz CUOFBILPHHPSKE-JWQCQUIFSA-N 0 0 374.568 6.957 10 0 FKAERN Cc1ccc([C@@H](CC(=O)C[C@H](c2ccc(C)c(C)c2)C2CC2)C2CC2)cc1C ZINC000095933985 209087079 /nfs/dbraw/zinc/08/70/79/209087079.db2.gz ZOQSIHFXVQULOQ-SVBPBHIXSA-N 0 0 374.568 6.957 10 0 FKAERN O=C(C[C@@H](c1cccc(F)c1)C1CC1)C[C@H](c1cccc(F)c1)C1CC1 ZINC000095933989 221973694 /nfs/dbraw/zinc/97/36/94/221973694.db2.gz KWSSJTOCSLUQOM-ZRZAMGCNSA-N 0 0 354.440 6.002 10 0 FKAERN O=C(C[C@H](c1cccc(F)c1)C1CC1)C[C@H](c1cccc(F)c1)C1CC1 ZINC000095933991 221973626 /nfs/dbraw/zinc/97/36/26/221973626.db2.gz KWSSJTOCSLUQOM-GOTSBHOMSA-N 0 0 354.440 6.002 10 0 FKAERN Cc1cccc(-c2nc(-c3ccccc3F)sc2-c2ccnc(C)c2)c1 ZINC000095934835 221973531 /nfs/dbraw/zinc/97/35/31/221973531.db2.gz KFTQPRQCYLGAQD-UHFFFAOYSA-N 0 0 360.457 6.295 10 0 FKAERN COC(=O)c1ccc(/C=C\c2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000095936204 209086392 /nfs/dbraw/zinc/08/63/92/209086392.db2.gz PQENDJMQROQKKU-SREVYHEPSA-N 0 0 355.393 5.452 10 0 FKAERN Cc1cc(-c2ccc(Oc3ccc(-c4cc(C)[nH]n4)cc3C)c(C)c2)n[nH]1 ZINC000095936463 209086022 /nfs/dbraw/zinc/08/60/22/209086022.db2.gz GCYZKHGWVSZBQE-UHFFFAOYSA-N 0 0 358.445 5.493 10 0 FKAERN Ic1cc(-c2ccccc2)nc(-c2ccccc2)c1 ZINC000095937459 205795393 /nfs/dbraw/zinc/79/53/93/205795393.db2.gz PFRAFBHBJNOQGC-UHFFFAOYSA-N 0 0 357.194 5.020 10 0 FKAERN CNc1ccc(C2CCC(N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000095945531 571309139 /nfs/dbraw/zinc/30/91/39/571309139.db2.gz RYAUVHCJGWASCQ-UHFFFAOYSA-N 0 0 356.897 5.180 10 0 FKAERN Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C)n2C(C)C)c(F)c1 ZINC000096062665 222009398 /nfs/dbraw/zinc/00/93/98/222009398.db2.gz QCZFORURYVSDGA-UHFFFAOYSA-N 0 0 363.436 5.414 10 0 FKAERN CC(C)c1ccc(-c2nn3c(nnc3-c3cc4ccccc4o3)s2)cc1 ZINC000096193782 222070491 /nfs/dbraw/zinc/07/04/91/222070491.db2.gz VNXQYRIUXQMTTL-UHFFFAOYSA-N 0 0 360.442 5.389 10 0 FKAERN CC(C)(C)c1ccc(-c2nn3c(nnc3-c3cc4ccccc4o3)s2)cc1 ZINC000096193783 222070872 /nfs/dbraw/zinc/07/08/72/222070872.db2.gz AHJWTBNVVAKQOC-UHFFFAOYSA-N 0 0 374.469 5.564 10 0 FKAERN c1c2ccccc2oc1-c1nnc2sc(-c3cccc4ccccc43)nn21 ZINC000096193832 222070329 /nfs/dbraw/zinc/07/03/29/222070329.db2.gz DDRFKZIYPSFJLU-UHFFFAOYSA-N 0 0 368.421 5.419 10 0 FKAERN c1c2ccccc2oc1-c1nnc2sc(-c3ccc4ccccc4c3)nn21 ZINC000096193833 210094470 /nfs/dbraw/zinc/09/44/70/210094470.db2.gz QBSJXMSMGBXJGT-UHFFFAOYSA-N 0 0 368.421 5.419 10 0 FKAERN CC[C@H](c1nn2c(nnc2-c2cc3ccccc3o2)s1)c1ccccc1 ZINC000096193849 209132100 /nfs/dbraw/zinc/13/21/00/209132100.db2.gz GYVYRBJYIFMRDC-HNNXBMFYSA-N 0 0 360.442 5.141 10 0 FKAERN CC[C@@H](c1nn2c(nnc2-c2cc3ccccc3o2)s1)c1ccccc1 ZINC000096193851 209131461 /nfs/dbraw/zinc/13/14/61/209131461.db2.gz GYVYRBJYIFMRDC-OAHLLOKOSA-N 0 0 360.442 5.141 10 0 FKAERN C/C(=C\c1ccccc1)c1nn2c(nnc2-c2cc3ccccc3o2)s1 ZINC000096193962 222071293 /nfs/dbraw/zinc/07/12/93/222071293.db2.gz MUEQYQNHIZQQPZ-ACCUITESSA-N 0 0 358.426 5.160 10 0 FKAERN Cc1c2ccccc2oc1-c1nn2c(nnc2-c2cc3ccccc3o2)s1 ZINC000096193985 571334821 /nfs/dbraw/zinc/33/48/21/571334821.db2.gz XUJMBXJCXUXCKC-UHFFFAOYSA-N 0 0 372.409 5.321 10 0 FKAERN Cc1c2ccccc2oc1-c1nnc2sc(-c3ccc(C)c(C)c3)nn21 ZINC000096194095 571334854 /nfs/dbraw/zinc/33/48/54/571334854.db2.gz QXGIHDMLZRMQHH-UHFFFAOYSA-N 0 0 360.442 5.191 10 0 FKAERN Cc1c2ccccc2oc1-c1nnc2sc(-c3cc(C)cc(C)c3)nn21 ZINC000096194099 571334860 /nfs/dbraw/zinc/33/48/60/571334860.db2.gz OWJHIOXGHHEOIR-UHFFFAOYSA-N 0 0 360.442 5.191 10 0 FKAERN Cc1c2ccccc2oc1-c1nnc2sc(-c3ccc(C)cc3C)nn21 ZINC000096194101 210095463 /nfs/dbraw/zinc/09/54/63/210095463.db2.gz RKMAYWZWDDKCAM-UHFFFAOYSA-N 0 0 360.442 5.191 10 0 FKAERN Cc1c2ccccc2oc1-c1nnc2sc(-c3ccc(C(C)C)cc3)nn21 ZINC000096194103 222071321 /nfs/dbraw/zinc/07/13/21/222071321.db2.gz IXKFKUKEHAJYFW-UHFFFAOYSA-N 0 0 374.469 5.698 10 0 FKAERN Cc1c2ccccc2oc1-c1nnc2sc(-c3ccccc3Cl)nn21 ZINC000096194118 222071441 /nfs/dbraw/zinc/07/14/41/222071441.db2.gz IBOKECUHGXKFDB-UHFFFAOYSA-N 0 0 366.833 5.228 10 0 FKAERN Cc1c2ccccc2oc1-c1nnc2sc(-c3cccc(Cl)c3)nn21 ZINC000096194120 222070474 /nfs/dbraw/zinc/07/04/74/222070474.db2.gz ADZHWOBDYUIOIA-UHFFFAOYSA-N 0 0 366.833 5.228 10 0 FKAERN Cc1c2ccccc2oc1-c1nnc2sc(Cc3ccc(C)c(C)c3)nn21 ZINC000096194250 222071062 /nfs/dbraw/zinc/07/10/62/222071062.db2.gz JXIBINSNFNTUIC-UHFFFAOYSA-N 0 0 374.469 5.115 10 0 FKAERN CC[C@H](c1nn2c(nnc2-c2oc3ccccc3c2C)s1)c1ccccc1 ZINC000096194277 222071215 /nfs/dbraw/zinc/07/12/15/222071215.db2.gz ABERMHFZSYRECS-HNNXBMFYSA-N 0 0 374.469 5.449 10 0 FKAERN CC[C@@H](c1nn2c(nnc2-c2oc3ccccc3c2C)s1)c1ccccc1 ZINC000096194280 571334863 /nfs/dbraw/zinc/33/48/63/571334863.db2.gz ABERMHFZSYRECS-OAHLLOKOSA-N 0 0 374.469 5.449 10 0 FKAERN Cc1c2ccccc2oc1-c1nnc2sc(CCCc3ccccc3)nn21 ZINC000096194298 210094723 /nfs/dbraw/zinc/09/47/23/210094723.db2.gz IGUHOMKITVJQNR-UHFFFAOYSA-N 0 0 374.469 5.083 10 0 FKAERN Cc1c2ccccc2oc1-c1nnc2sc(/C=C/c3ccccc3)nn21 ZINC000096194376 571334848 /nfs/dbraw/zinc/33/48/48/571334848.db2.gz SFWWVYSGZIMYLW-VAWYXSNFSA-N 0 0 358.426 5.078 10 0 FKAERN C/C(=C\c1ccccc1)c1nn2c(nnc2-c2oc3ccccc3c2C)s1 ZINC000096194390 210094971 /nfs/dbraw/zinc/09/49/71/210094971.db2.gz IXUAQRNFXSHISN-OUKQBFOZSA-N 0 0 372.453 5.468 10 0 FKAERN Cc1c2ccccc2oc1-c1nnc2sc(-c3cc4ccccc4[nH]3)nn21 ZINC000096194420 222072207 /nfs/dbraw/zinc/07/22/07/222072207.db2.gz RLYBEQFOHYIYSC-UHFFFAOYSA-N 0 0 371.425 5.056 10 0 FKAERN COc1cc(-c2noc(CC(C)(C)C)n2)ccc1OCc1ccc(F)cc1 ZINC000096281013 205871848 /nfs/dbraw/zinc/87/18/48/205871848.db2.gz OWOKTRHPWHBFIS-UHFFFAOYSA-N 0 0 370.424 5.052 10 0 FKAERN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](C)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000096331680 222114234 /nfs/dbraw/zinc/11/42/34/222114234.db2.gz SFNSGHUMGYWJGF-SHQMNJCLSA-N 0 0 372.549 5.332 10 0 FKAERN CCCCc1c2c(ccc1-c1ccc(C)cc1C)OC(=O)[C@@H]2CCCC ZINC000096331681 222114382 /nfs/dbraw/zinc/11/43/82/222114382.db2.gz BNAOQKULFPHAHL-OAQYLSRUSA-N 0 0 350.502 6.506 10 0 FKAERN CCCCCOc1ccc(/C=C\C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 ZINC000096437790 209153549 /nfs/dbraw/zinc/15/35/49/209153549.db2.gz UFEYTCYXQPFBOH-QMDZLVRISA-N 0 0 351.490 5.455 10 0 FKAERN CCCCCOc1ccc(/C=C\C(=O)N[C@H](C)c2ccc(C)cc2)cc1 ZINC000096437791 209152704 /nfs/dbraw/zinc/15/27/04/209152704.db2.gz UFEYTCYXQPFBOH-JVCXIRSZSA-N 0 0 351.490 5.455 10 0 FKAERN COc1ccccc1/C=C\C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000096437819 205875618 /nfs/dbraw/zinc/87/56/18/205875618.db2.gz HFPJYQSHZHCQNC-TWGQIWQCSA-N 0 0 355.743 5.019 10 0 FKAERN CC[C@@H](NC(=O)/C=C\c1ccccc1OC)c1ccc([C@@H](C)CC)cc1 ZINC000096437827 222119905 /nfs/dbraw/zinc/11/99/05/222119905.db2.gz JAEKZFZDVOSJNR-FJCHBUTJSA-N 0 0 351.490 5.489 10 0 FKAERN O=C(/C=C\c1cccc2ccccc12)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000096437835 222119897 /nfs/dbraw/zinc/11/98/97/222119897.db2.gz PWHXIBGTQYRNIK-FLIBITNWSA-N 0 0 373.786 5.747 10 0 FKAERN Cc1cc(OC(F)F)ccc1NC(=O)/C=C\c1cccc2ccccc12 ZINC000096437844 222120139 /nfs/dbraw/zinc/12/01/39/222120139.db2.gz BNLFPVYVLNXWRX-XFXZXTDPSA-N 0 0 353.368 5.402 10 0 FKAERN CCN(CC)c1ccc(NC(=O)/C=C\c2ccc(Cl)cc2Cl)cc1 ZINC000096504677 222122899 /nfs/dbraw/zinc/12/28/99/222122899.db2.gz IGBGIPZZBRZBDM-SDQBBNPISA-N 0 0 363.288 5.492 10 0 FKAERN CCN(CC)c1ccc(NC(=O)/C=C\c2ccc(Cl)c(Cl)c2)cc1 ZINC000096507637 209155116 /nfs/dbraw/zinc/15/51/16/209155116.db2.gz PEINPTPEEWGVPA-SDQBBNPISA-N 0 0 363.288 5.492 10 0 FKAERN CC(C)(C)c1ccc(/C=C\C(=O)NCc2ccc(Cl)c(Cl)c2)cc1 ZINC000096507640 222122858 /nfs/dbraw/zinc/12/28/58/222122858.db2.gz JAQKTBOGMWXLHG-XFFZJAGNSA-N 0 0 362.300 5.621 10 0 FKAERN O=C(/C=C\c1ccc(Br)cc1)Nc1ccc2ccccc2c1 ZINC000096507646 222122490 /nfs/dbraw/zinc/12/24/90/222122490.db2.gz HKIPMBZFKKQTLN-GHXNOFRVSA-N 0 0 352.231 5.254 10 0 FKAERN O=C1NC(=S)SC1=Cc1cccn1Cc1ccc(Cl)cc1Cl ZINC000096507840 209154581 /nfs/dbraw/zinc/15/45/81/209154581.db2.gz JUJAXUCTHXQFOA-NTUHNPAUSA-N 0 0 369.298 5.172 10 0 FKAERN Clc1cccc(Cc2cc3cc(Br)ccc3nc2Cl)c1 ZINC000096675826 209156365 /nfs/dbraw/zinc/15/63/65/209156365.db2.gz RWNZZCGAUFYIKT-UHFFFAOYSA-N 0 0 367.073 5.895 10 0 FKAERN CCOc1cccc(CNC(=O)c2cc3cn(C4CCCC4)cc3s2)c1 ZINC000097151809 571205208 /nfs/dbraw/zinc/20/52/08/571205208.db2.gz FYIKYTMSXBIAII-UHFFFAOYSA-N 0 0 368.502 5.147 10 0 FKAERN C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1ccc(F)c(F)c1 ZINC000097543471 222189757 /nfs/dbraw/zinc/18/97/57/222189757.db2.gz MCFOWPZOSQERAE-QMMMGPOBSA-N 0 0 362.273 5.005 10 0 FKAERN Cc1ccc(Nc2ncc(-c3cc(C(F)(F)F)ccc3F)s2)cc1 ZINC000097758424 209194400 /nfs/dbraw/zinc/19/44/00/209194400.db2.gz AOXIWFMYZKZWGG-UHFFFAOYSA-N 0 0 352.356 6.020 10 0 FKAERN CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2Cl)n1 ZINC000097758558 209194221 /nfs/dbraw/zinc/19/42/21/209194221.db2.gz OTOXHBQNZOUOCL-UHFFFAOYSA-N 0 0 361.228 5.023 10 0 FKAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(F)c1 ZINC000097758567 205926240 /nfs/dbraw/zinc/92/62/40/205926240.db2.gz GXYLJHJTFNTAEM-BZKOTJRBSA-N 0 0 352.877 5.587 10 0 FKAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(F)c1 ZINC000097758568 205926456 /nfs/dbraw/zinc/92/64/56/205926456.db2.gz GXYLJHJTFNTAEM-MFDZDQDISA-N 0 0 352.877 5.587 10 0 FKAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000097758570 209194674 /nfs/dbraw/zinc/19/46/74/209194674.db2.gz GXYLJHJTFNTAEM-NVTBQPJSSA-N 0 0 352.877 5.587 10 0 FKAERN O=C(C1(c2ccc(F)cc2Cl)CC1)C1(c2ccc(F)cc2Cl)CC1 ZINC000098090037 222229008 /nfs/dbraw/zinc/22/90/08/222229008.db2.gz JAZKGFRMIGUEKL-UHFFFAOYSA-N 0 0 367.222 5.604 10 0 FKAERN O=C(C1(c2ccc(F)c(Cl)c2)CC1)C1(c2ccc(F)c(Cl)c2)CC1 ZINC000098090038 222228789 /nfs/dbraw/zinc/22/87/89/222228789.db2.gz BZOVJGPIIDPQBF-UHFFFAOYSA-N 0 0 367.222 5.604 10 0 FKAERN CC(C)(C)c1nccc(C(=O)c2ccnc(C(C)(C)C)c2Cl)c1Cl ZINC000098090043 222228631 /nfs/dbraw/zinc/22/86/31/222228631.db2.gz HYUGIVGVFXKFIG-UHFFFAOYSA-N 0 0 365.304 5.609 10 0 FKAERN O=C(C1(c2ccc(Cl)cc2)CCC1)C1(c2ccc(Cl)cc2)CCC1 ZINC000098090364 209206382 /nfs/dbraw/zinc/20/63/82/209206382.db2.gz ARIVHPQHWXMUQQ-UHFFFAOYSA-N 0 0 359.296 6.106 10 0 FKAERN C/C(=C\c1c(C)cccc1Oc1cccc(C)c1/C=C(/C)[N+](=O)[O-])[N+](=O)[O-] ZINC000098090869 209206234 /nfs/dbraw/zinc/20/62/34/209206234.db2.gz UAZFFVPRIMNEBB-UKVBVZPVSA-N 0 0 368.389 5.371 10 0 FKAERN C/C(=C/c1c(C)cccc1Oc1cccc(C)c1/C=C(/C)[N+](=O)[O-])[N+](=O)[O-] ZINC000098090870 222228781 /nfs/dbraw/zinc/22/87/81/222228781.db2.gz UAZFFVPRIMNEBB-NFLUSIDLSA-N 0 0 368.389 5.371 10 0 FKAERN COC(=O)c1ccc(/C=C\c2cc3c(cc2C)C(C)(C)CCC3(C)C)nc1 ZINC000098091787 210102787 /nfs/dbraw/zinc/10/27/87/210102787.db2.gz VUBXKPSOTWITNF-CLFYSBASSA-N 0 0 363.501 5.696 10 0 FKAERN COC(=O)c1ccc(/C=C/c2cc3c(cc2C)C(C)(C)CCC3(C)C)nc1 ZINC000098091788 210101803 /nfs/dbraw/zinc/10/18/03/210101803.db2.gz VUBXKPSOTWITNF-VQHVLOKHSA-N 0 0 363.501 5.696 10 0 FKAERN FC(F)(F)c1ccc(-c2nc(Cl)nc3sc4c(c32)CCC4)cc1 ZINC000098095320 570497836 /nfs/dbraw/zinc/49/78/36/570497836.db2.gz VTAAOJXHMFOUOQ-UHFFFAOYSA-N 0 0 354.784 5.519 10 0 FKAERN Cc1c(Cl)c(=O)oc2cc(O[P@](C)(=O)O[C@@H](C)C(C)(C)C)ccc12 ZINC000098095546 570497825 /nfs/dbraw/zinc/49/78/25/570497825.db2.gz CYDMOFDZVMDHJF-APXPCNQMSA-N 0 0 372.785 5.408 10 0 FKAERN Cc1c(Cl)c(=O)oc2cc(O[P@@](C)(=O)O[C@@H](C)C(C)(C)C)ccc12 ZINC000098095547 222229113 /nfs/dbraw/zinc/22/91/13/222229113.db2.gz CYDMOFDZVMDHJF-BUBHHJDNSA-N 0 0 372.785 5.408 10 0 FKAERN Cc1c(Cl)c(=O)oc2cc(O[P@](C)(=O)O[C@H](C)C(C)(C)C)ccc12 ZINC000098095548 209205897 /nfs/dbraw/zinc/20/58/97/209205897.db2.gz CYDMOFDZVMDHJF-YDGUKXNOSA-N 0 0 372.785 5.408 10 0 FKAERN Cc1c(Cl)c(=O)oc2cc(O[P@@](C)(=O)O[C@H](C)C(C)(C)C)ccc12 ZINC000098095549 570497627 /nfs/dbraw/zinc/49/76/27/570497627.db2.gz CYDMOFDZVMDHJF-JNDILOIQSA-N 0 0 372.785 5.408 10 0 FKAERN FC(F)(F)c1ccc(-c2cc(C(F)(F)F)cc(Br)n2)cc1 ZINC000098177502 222230668 /nfs/dbraw/zinc/23/06/68/222230668.db2.gz SOHXIVAPQUJDKY-UHFFFAOYSA-N 0 0 370.090 5.549 10 0 FKAERN CCOC(=O)c1sc(Br)nc1-c1ccc(C(C)(C)C)cc1 ZINC000098177731 222230092 /nfs/dbraw/zinc/23/00/92/222230092.db2.gz LRULGAKLPJDUEV-UHFFFAOYSA-N 0 0 368.296 5.047 10 0 FKAERN COC(=O)c1sc(Br)nc1-c1ccc(-c2ccccc2)cc1 ZINC000098177734 222230487 /nfs/dbraw/zinc/23/04/87/222230487.db2.gz WMXJSUIHOJDAPF-UHFFFAOYSA-N 0 0 374.259 5.026 10 0 FKAERN O=C(Nc1oc2ccccc2c1Br)c1ccc(Cl)cc1 ZINC000098177772 209205663 /nfs/dbraw/zinc/20/56/63/209205663.db2.gz XQVIQNMSGQZGAI-UHFFFAOYSA-N 0 0 350.599 5.101 10 0 FKAERN COc1ccc2c(c1)c(-c1ccccc1)cn2C(=O)c1ccc(Cl)cc1 ZINC000098177774 222230859 /nfs/dbraw/zinc/23/08/59/222230859.db2.gz STUHBKOVTPXZDZ-UHFFFAOYSA-N 0 0 361.828 5.659 10 0 FKAERN OC(c1ccccc1)(c1ccccc1)c1ccc(Nc2ccccc2)cc1 ZINC000098177896 205936903 /nfs/dbraw/zinc/93/69/03/205936903.db2.gz MQHWYGVOEZQGOB-UHFFFAOYSA-N 0 0 351.449 5.714 10 0 FKAERN c1ccc(COc2cccc(CCNc3cccc4ccccc43)c2)cc1 ZINC000098177897 209205875 /nfs/dbraw/zinc/20/58/75/209205875.db2.gz TXRZVQMNWHFYNL-UHFFFAOYSA-N 0 0 353.465 6.073 10 0 FKAERN Fc1cccc(F)c1-c1c(Cl)nc(Cl)n1-c1ccc(Cl)cc1 ZINC000098178139 222230499 /nfs/dbraw/zinc/23/04/99/222230499.db2.gz ZMNPQZYVFNVDBC-UHFFFAOYSA-N 0 0 359.590 5.778 10 0 FKAERN Fc1cccc(-n2c(Cl)nc(Cl)c2-c2c(F)cc(F)cc2F)c1 ZINC000098178140 222230627 /nfs/dbraw/zinc/23/06/27/222230627.db2.gz NYQHODKIZTUZQR-UHFFFAOYSA-N 0 0 361.125 5.403 10 0 FKAERN O=c1cc(C=C(c2ccccc2)c2ccccc2)oc(-c2ccccc2)c1 ZINC000098178168 222230684 /nfs/dbraw/zinc/23/06/84/222230684.db2.gz GSELMAIGVBUDAY-UHFFFAOYSA-N 0 0 350.417 5.896 10 0 FKAERN O=c1cc(-c2ccccc2)oc(C(Cc2ccccc2)Cc2ccccc2)c1 ZINC000098178169 222230184 /nfs/dbraw/zinc/23/01/84/222230184.db2.gz DMZSXWHUWJMJLC-UHFFFAOYSA-N 0 0 366.460 5.876 10 0 FKAERN c1ccc(NC(Cc2ccncc2)(c2ccccc2)c2ccccc2)cc1 ZINC000098178234 222230806 /nfs/dbraw/zinc/23/08/06/222230806.db2.gz BUXGWCNIZIWLSP-UHFFFAOYSA-N 0 0 350.465 5.680 10 0 FKAERN c1ccc(C(c2nc3ccccc3n2-c2ccccc2)c2ccccc2)cc1 ZINC000098178245 222229880 /nfs/dbraw/zinc/22/98/80/222229880.db2.gz QSQDXGRJHRDBKQ-UHFFFAOYSA-N 0 0 360.460 6.206 10 0 FKAERN c1ccc(C(c2nc3ccccc3[nH]2)(c2ccccc2)c2ccccc2)cc1 ZINC000098178246 222230346 /nfs/dbraw/zinc/23/03/46/222230346.db2.gz WAVJRUUKFBUIDJ-UHFFFAOYSA-N 0 0 360.460 5.946 10 0 FKAERN O=C(c1ccc(-c2ccccc2)cc1)C(C1CCCCC1)C1CCCCC1 ZINC000098178273 222230390 /nfs/dbraw/zinc/23/03/90/222230390.db2.gz BSOHNIXJUPWHOQ-UHFFFAOYSA-N 0 0 360.541 7.313 10 0 FKAERN O=Cc1cc(Cc2ccccc2)cc(Cc2ccccc2)c1-c1ccccc1 ZINC000098178274 222230557 /nfs/dbraw/zinc/23/05/57/222230557.db2.gz IGMWTMRKZIANMU-UHFFFAOYSA-N 0 0 362.472 6.348 10 0 FKAERN O=C(C[C@@H](c1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000098178275 209206514 /nfs/dbraw/zinc/20/65/14/209206514.db2.gz ATXZIRIZVDZMSS-SANMLTNESA-N 0 0 362.472 6.759 10 0 FKAERN c1c2cc(-c3ccccc3)ncc2n(Cc2ccccc2)c1-c1ccccc1 ZINC000098179055 209205585 /nfs/dbraw/zinc/20/55/85/209205585.db2.gz ORLQXJGLWRTIHW-UHFFFAOYSA-N 0 0 360.460 6.419 10 0 FKAERN O=C(c1cnc(Nc2cccc(C(F)(F)F)c2)s1)C1CCCCC1 ZINC000098179801 209206417 /nfs/dbraw/zinc/20/64/17/209206417.db2.gz YHRSYSXMBBZNLB-UHFFFAOYSA-N 0 0 354.397 5.669 10 0 FKAERN Cc1ccc(-c2nc3ncsc3c(C)n2)nc1Cc1ccccc1Cl ZINC000098180013 222230702 /nfs/dbraw/zinc/23/07/02/222230702.db2.gz NBTYWDPJMPFELP-UHFFFAOYSA-N 0 0 366.877 5.009 10 0 FKAERN Clc1ccccc1Cc1cccc(-c2nc3ncsc3c(Cl)n2)n1 ZINC000098180015 222230062 /nfs/dbraw/zinc/23/00/62/222230062.db2.gz VFHIFILMJOXIBQ-UHFFFAOYSA-N 0 0 373.268 5.046 10 0 FKAERN Nc1cc(Cl)c(Cl)c(Cl)c1Oc1ccc(Cl)cc1Cl ZINC000098180118 222230351 /nfs/dbraw/zinc/23/03/51/222230351.db2.gz OWHDDYMHUJXVRI-UHFFFAOYSA-N 0 0 357.451 6.328 10 0 FKAERN Oc1ccccc1[C@H]1[C@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000098180329 222230721 /nfs/dbraw/zinc/23/07/21/222230721.db2.gz NWLCFEDDPXFQMU-UIOOFZCWSA-N 0 0 362.472 6.260 10 0 FKAERN Oc1ccccc1[C@@H]1[C@@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000098180330 222230623 /nfs/dbraw/zinc/23/06/23/222230623.db2.gz NWLCFEDDPXFQMU-CLJLJLNGSA-N 0 0 362.472 6.260 10 0 FKAERN Clc1cc(Cl)c2c(c1)nnc(-c1ccccc1)c2-c1ccccc1 ZINC000098180516 209206647 /nfs/dbraw/zinc/20/66/47/209206647.db2.gz VXSVEISEWJKMRY-UHFFFAOYSA-N 0 0 351.236 6.271 10 0 FKAERN CC(C)(C)c1cc(N(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O ZINC000098181011 222230511 /nfs/dbraw/zinc/23/05/11/222230511.db2.gz FVYOUGLYGAJTAC-UHFFFAOYSA-N 0 0 373.540 7.457 10 0 FKAERN Cc1cc2c(c(C)c1NC(=O)CC(C)(C)C)CC[C@@H]2Nc1ccc(F)nc1 ZINC000098181326 222230374 /nfs/dbraw/zinc/23/03/74/222230374.db2.gz JRTFEOSCGVGFFA-SFHVURJKSA-N 0 0 369.484 5.312 10 0 FKAERN Cc1cc2c(c(C)c1NC(=O)CC(C)(C)C)CC[C@H]2Nc1ccc(F)nc1 ZINC000098181327 205936936 /nfs/dbraw/zinc/93/69/36/205936936.db2.gz JRTFEOSCGVGFFA-GOSISDBHSA-N 0 0 369.484 5.312 10 0 FKAERN CCC[C@H]1CC=C(c2c(F)c(F)c(OC)c(Br)c2F)CC1 ZINC000098181393 222230705 /nfs/dbraw/zinc/23/07/05/222230705.db2.gz BQYKNANREIJJDY-VIFPVBQESA-N 0 0 363.217 5.859 10 0 FKAERN CCC[C@@H]1CC=C(c2c(F)c(F)c(OC)c(Br)c2F)CC1 ZINC000098181394 222230470 /nfs/dbraw/zinc/23/04/70/222230470.db2.gz BQYKNANREIJJDY-SECBINFHSA-N 0 0 363.217 5.859 10 0 FKAERN CC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000100041640 571157437 /nfs/dbraw/zinc/15/74/37/571157437.db2.gz SOLQDJUTBJEPAR-USTZCAOPSA-N 0 0 352.484 7.374 10 0 FKAERN CCCCc1c2c(ccc1-c1ccc(C)cc1C)OC(=O)[C@H]2CCCC ZINC000100050485 222233511 /nfs/dbraw/zinc/23/35/11/222233511.db2.gz BNAOQKULFPHAHL-NRFANRHFSA-N 0 0 350.502 6.506 10 0 FKAERN CCCCC[C@H]1CC[C@H](c2ccc(I)cc2)CC1 ZINC000100057570 209208510 /nfs/dbraw/zinc/20/85/10/209208510.db2.gz ZVJXAYCOQJDVMP-GASCZTMLSA-N 0 0 356.291 6.145 10 0 FKAERN Clc1ccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)cc1Cl ZINC000100065486 222234329 /nfs/dbraw/zinc/23/43/29/222234329.db2.gz GCLNPDSGRSGDTC-UHFFFAOYSA-N 0 0 354.240 5.405 10 0 FKAERN CCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(CC)cc3)cc2)CC1 ZINC000100078012 222234346 /nfs/dbraw/zinc/23/43/46/222234346.db2.gz XFAMGWJNYCCGTL-BGYRXZFFSA-N 0 0 350.502 6.542 10 0 FKAERN CCC[C@H]1CC[C@H](c2cc(F)c(I)c(F)c2)CC1 ZINC000100084732 205938129 /nfs/dbraw/zinc/93/81/29/205938129.db2.gz SQYYCSHUGCWURO-PHIMTYICSA-N 0 0 364.217 5.643 10 0 FKAERN Cc1nnc(SCc2ccccc2)nc1C=CNc1ccc(Cl)cc1 ZINC000100104750 210242738 /nfs/dbraw/zinc/24/27/38/210242738.db2.gz YUEJPHHBWTVRPU-QXMHVHEDSA-N 0 0 368.893 5.209 10 0 FKAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@]1(c2ccccc2)OC(=O)c2ccccc21 ZINC000100383609 222243479 /nfs/dbraw/zinc/24/34/79/222243479.db2.gz IRVNXTZDUTXMJY-PDKZGUECSA-N 0 0 364.485 5.536 10 0 FKAERN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[C@]1(c2ccccc2)OC(=O)c2ccccc21 ZINC000100383613 209213008 /nfs/dbraw/zinc/21/30/08/209213008.db2.gz IRVNXTZDUTXMJY-SUMPXDKOSA-N 0 0 364.485 5.536 10 0 FKAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@]1(c2ccccc2)OC(=O)c2ccccc21 ZINC000100383617 222242384 /nfs/dbraw/zinc/24/23/84/222242384.db2.gz IRVNXTZDUTXMJY-KSZDXEJVSA-N 0 0 364.485 5.536 10 0 FKAERN CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[C@]1(c2ccccc2)OC(=O)c2ccccc21 ZINC000100383622 222242410 /nfs/dbraw/zinc/24/24/10/222242410.db2.gz IRVNXTZDUTXMJY-XZGZTLBWSA-N 0 0 364.485 5.536 10 0 FKAERN Fc1ccc(-c2cs/c(=N\c3ccccc3)n2C2CCCCC2)cc1 ZINC000100412108 222243510 /nfs/dbraw/zinc/24/35/10/222243510.db2.gz QPSSCPIPYALEJX-LNVKXUELSA-N 0 0 352.478 6.093 10 0 FKAERN Cc1cccc([C@@H]2c3cc(C(C)(C)C)cc(C(C)(C)C)c3OC2=O)c1C ZINC000100494777 210242844 /nfs/dbraw/zinc/24/28/44/210242844.db2.gz JFYKXFLSIZYLRY-HXUWFJFHSA-N 0 0 350.502 5.949 10 0 FKAERN CNc1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000100504383 222245559 /nfs/dbraw/zinc/24/55/59/222245559.db2.gz RYAUVHCJGWASCQ-MOBUCQHHSA-N 0 0 356.897 5.180 10 0 FKAERN O=C1CC(c2ccc(Cl)cc2)=Nc2ccccc2N1Cc1ccccc1 ZINC000100898144 205950473 /nfs/dbraw/zinc/95/04/73/205950473.db2.gz IIOSFZQGNOWMHN-UHFFFAOYSA-N 0 0 360.844 5.398 10 0 FKAERN Cc1ccc2c(c1)N(Cc1ccccc1)C(=O)CC(c1ccc(Cl)cc1)=N2 ZINC000100898290 222256624 /nfs/dbraw/zinc/25/66/24/222256624.db2.gz XBMQZHXPRRUYPT-UHFFFAOYSA-N 0 0 374.871 5.706 10 0 FKAERN Cc1ccc2c(c1)N(Cc1ccccc1)C(=O)CC(c1ccccc1Cl)=N2 ZINC000100898293 222256553 /nfs/dbraw/zinc/25/65/53/222256553.db2.gz QVUYXHSQDXIBMD-UHFFFAOYSA-N 0 0 374.871 5.706 10 0 FKAERN Cc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2C(C)(C)C)cc1 ZINC000101051023 210086847 /nfs/dbraw/zinc/08/68/47/210086847.db2.gz MMANWGWJIHFQOV-QOCHGBHMSA-N 0 0 356.922 6.166 10 0 FKAERN C(=C/c1ccc2c(c1)Cc1cc(/C=C\c3ccccc3)ccc1-2)\c1ccccc1 ZINC000101786648 222283927 /nfs/dbraw/zinc/28/39/27/222283927.db2.gz DAKGYRRPMNTHII-HEEUSZRZSA-N 0 0 370.495 7.599 10 0 FKAERN COC(=O)c1c(C=CNc2ccccc2)onc1-c1c(F)cccc1Cl ZINC000101921698 222286782 /nfs/dbraw/zinc/28/67/82/222286782.db2.gz VSNGFFCMJGZKJF-KHPPLWFESA-N 0 0 372.783 5.004 10 0 FKAERN CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC(=O)[O-] ZINC000102239208 717145847 /nfs/dbraw/zinc/14/58/47/717145847.db2.gz SMWKMBMXOITBMO-UHFFFAOYSA-O 0 0 370.642 6.799 10 0 FKAERN CCCCCCCCCCCCCCCC[N+](C)(C)CCCC(=O)[O-] ZINC000102239222 717145853 /nfs/dbraw/zinc/14/58/53/717145853.db2.gz FFXBFCULVYPLML-UHFFFAOYSA-O 0 0 356.615 6.409 10 0 FKAERN Cc1ccc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)cc1C ZINC000102449841 209235915 /nfs/dbraw/zinc/23/59/15/209235915.db2.gz WRDQJFWSKROZCK-VHXPQNKSSA-N 0 0 356.494 6.055 10 0 FKAERN CC1(C)CC(=O)C[C@]2(C1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000102628327 222302117 /nfs/dbraw/zinc/30/21/17/222302117.db2.gz MDYMAZDVTJBOGX-NZQKXSOJSA-N 0 0 360.457 5.188 10 0 FKAERN CC1(C)CC(=O)C[C@@]2(C1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000102628330 222302771 /nfs/dbraw/zinc/30/27/71/222302771.db2.gz MDYMAZDVTJBOGX-REWPJTCUSA-N 0 0 360.457 5.188 10 0 FKAERN Clc1ccc(-c2cs/c(=N/c3ccccc3)n2C[C@@H]2CCCO2)cc1 ZINC000102677387 222304315 /nfs/dbraw/zinc/30/43/15/222304315.db2.gz HZDJXFMKBTWMHC-LQTLECTNSA-N 0 0 370.905 5.281 10 0 FKAERN Clc1ccc(-c2cs/c(=N/c3ccccc3)n2C[C@H]2CCCO2)cc1 ZINC000102677390 222304110 /nfs/dbraw/zinc/30/41/10/222304110.db2.gz HZDJXFMKBTWMHC-HYHOCUEZSA-N 0 0 370.905 5.281 10 0 FKAERN CC1(C)CC(=O)C[C@]2(C1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 ZINC000103151305 206232612 /nfs/dbraw/zinc/23/26/12/206232612.db2.gz MDYMAZDVTJBOGX-NFBKMPQASA-N 0 0 360.457 5.188 10 0 FKAERN COc1ccc(-c2sc(N)c(C(=O)c3ccc(Cl)cc3)c2C)cc1 ZINC000103229437 222326774 /nfs/dbraw/zinc/32/67/74/222326774.db2.gz PBKRGJQLTBTYFA-UHFFFAOYSA-N 0 0 357.862 5.199 10 0 FKAERN O=C(Nc1ccc(Br)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000103248508 222328218 /nfs/dbraw/zinc/32/82/18/222328218.db2.gz LYBTZVVXTHCTRE-UHFFFAOYSA-N 0 0 360.038 5.400 10 0 FKAERN CC(Cc1nsc(Nc2ccc(C)cc2)n1)=Nc1ccc(F)c(Cl)c1 ZINC000103573497 209254791 /nfs/dbraw/zinc/25/47/91/209254791.db2.gz MLUJCFUWCOOYSN-FMIVXFBMSA-N 0 0 374.872 5.856 10 0 FKAERN CNc1nc2c(Br)cc(Br)cc2cc1C(C)(C)C ZINC000103921760 205996712 /nfs/dbraw/zinc/99/67/12/205996712.db2.gz UHLZQHNXMVXPGR-UHFFFAOYSA-N 0 0 372.104 5.099 10 0 FKAERN CC[C@H]([NH2+]C)c1ccc(-c2ccc(Br)cc2Br)o1 ZINC000103937199 209257232 /nfs/dbraw/zinc/25/72/32/209257232.db2.gz ZINDMJVUPCFTIY-LBPRGKRZSA-N 0 0 373.088 5.142 10 0 FKAERN CC[C@@H]([NH2+]C)c1ccc(-c2ccc(Br)cc2Br)o1 ZINC000103937204 209257248 /nfs/dbraw/zinc/25/72/48/209257248.db2.gz ZINDMJVUPCFTIY-GFCCVEGCSA-N 0 0 373.088 5.142 10 0 FKAERN CC(C)(C)c1nc(N)sc1Cc1ccc(Br)cc1Cl ZINC000103944090 222347476 /nfs/dbraw/zinc/34/74/76/222347476.db2.gz YUUAWLVPBSLDNI-UHFFFAOYSA-N 0 0 359.720 5.030 10 0 FKAERN C[NH2+][C@H](Cc1ccccc1Br)c1cc(Cl)ccc1Cl ZINC000103944910 206236653 /nfs/dbraw/zinc/23/66/53/206236653.db2.gz XZMKIAGJSQNEFF-OAHLLOKOSA-N 0 0 359.094 5.259 10 0 FKAERN Nc1cc(Br)cnc1Nc1cc(Cl)c(Cl)cc1Cl ZINC000103945818 222346711 /nfs/dbraw/zinc/34/67/11/222346711.db2.gz AXJUUMNKWDHRKW-UHFFFAOYSA-N 0 0 367.461 5.130 10 0 FKAERN CC[NH2+][C@@H](Cc1cc(Br)cs1)c1ccc(F)cc1Cl ZINC000103946708 206236116 /nfs/dbraw/zinc/23/61/16/206236116.db2.gz BKKCEGZGCDIGJL-AWEZNQCLSA-N 0 0 362.695 5.196 10 0 FKAERN O=C(Cc1sccc1Br)Cc1c(Cl)cccc1Cl ZINC000103949667 222347420 /nfs/dbraw/zinc/34/74/20/222347420.db2.gz MTGYKBNFCWWPTJ-UHFFFAOYSA-N 0 0 364.091 5.172 10 0 FKAERN Clc1nc2ccccc2c(Sc2ccc(Br)cc2)n1 ZINC000103950961 209256466 /nfs/dbraw/zinc/25/64/66/209256466.db2.gz TZDUFAVSNPZGRC-UHFFFAOYSA-N 0 0 351.656 5.197 10 0 FKAERN Clc1nc2ccccc2c(Sc2ccccc2Br)n1 ZINC000103950966 209257257 /nfs/dbraw/zinc/25/72/57/209257257.db2.gz HFBXKCUZZHEOMR-UHFFFAOYSA-N 0 0 351.656 5.197 10 0 FKAERN Cc1cc(Br)cc(C)c1NCc1ccc(Br)o1 ZINC000103969683 222346862 /nfs/dbraw/zinc/34/68/62/222346862.db2.gz XMTVWBMTBRLQME-UHFFFAOYSA-N 0 0 359.061 5.034 10 0 FKAERN Clc1cc(Cl)c(Oc2ccc(Br)cn2)cc1Cl ZINC000103970305 209257051 /nfs/dbraw/zinc/25/70/51/209257051.db2.gz XHIUYASLTHSYBP-UHFFFAOYSA-N 0 0 353.430 5.597 10 0 FKAERN Clc1cc(Cl)c(OCc2sccc2Br)c(Cl)c1 ZINC000103970409 222346651 /nfs/dbraw/zinc/34/66/51/222346651.db2.gz SGAKCFNZPBSMIX-UHFFFAOYSA-N 0 0 372.498 6.050 10 0 FKAERN O=C1CCCc2c1ccn2-c1c(Cl)cc(Br)cc1Cl ZINC000103970938 209256751 /nfs/dbraw/zinc/25/67/51/209256751.db2.gz QHPNBDPGCBKOPR-UHFFFAOYSA-N 0 0 359.050 5.066 10 0 FKAERN C[C@H](Nc1ccc(N(C)C)c(Cl)c1)c1sccc1Br ZINC000103971465 222346964 /nfs/dbraw/zinc/34/69/64/222346964.db2.gz UJXQNXTZWAKKRM-VIFPVBQESA-N 0 0 359.720 5.403 10 0 FKAERN C[C@@H](Nc1ccc(N(C)C)c(Cl)c1)c1sccc1Br ZINC000103971469 206236028 /nfs/dbraw/zinc/23/60/28/206236028.db2.gz UJXQNXTZWAKKRM-SECBINFHSA-N 0 0 359.720 5.403 10 0 FKAERN Cc1cc(C)c(N[C@@H](C)c2ccc(I)cc2)c(C)c1 ZINC000103972742 222347613 /nfs/dbraw/zinc/34/76/13/222347613.db2.gz KWRQTEDLBABNCT-AWEZNQCLSA-N 0 0 365.258 5.390 10 0 FKAERN Cc1cc(C)c(N[C@H](C)c2ccc(I)cc2)c(C)c1 ZINC000103972746 222347628 /nfs/dbraw/zinc/34/76/28/222347628.db2.gz KWRQTEDLBABNCT-CQSZACIVSA-N 0 0 365.258 5.390 10 0 FKAERN CCOc1ccc(N[C@H](C)c2ccc(Br)s2)cc1Cl ZINC000103972802 222346690 /nfs/dbraw/zinc/34/66/90/222346690.db2.gz MMWBBPFAKZYHES-SECBINFHSA-N 0 0 360.704 5.736 10 0 FKAERN Clc1ccc(NCc2csc(Br)c2)c2ncccc12 ZINC000103976385 206235870 /nfs/dbraw/zinc/23/58/70/206235870.db2.gz ZZVBFWPEBAXQDC-UHFFFAOYSA-N 0 0 353.672 5.324 10 0 FKAERN Clc1ccc(NCc2ccc(Br)s2)c2ncccc12 ZINC000103976390 209499212 /nfs/dbraw/zinc/49/92/12/209499212.db2.gz CFCNJLFYHDKVLM-UHFFFAOYSA-N 0 0 353.672 5.324 10 0 FKAERN Fc1ccc(CSc2nc3ccccc3s2)c(Br)c1 ZINC000103977210 222346762 /nfs/dbraw/zinc/34/67/62/222346762.db2.gz HHCIBUHIKCWEAH-UHFFFAOYSA-N 0 0 354.269 5.490 10 0 FKAERN COc1ccc(Br)cc1NCc1c(Cl)cccc1Cl ZINC000103978680 222347526 /nfs/dbraw/zinc/34/75/26/222347526.db2.gz BBBQYTWMFJAHBH-UHFFFAOYSA-N 0 0 361.066 5.377 10 0 FKAERN CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000103978771 209257098 /nfs/dbraw/zinc/25/70/98/209257098.db2.gz ZGVSGVBXXZKPFD-CMPLNLGQSA-N 0 0 363.137 5.441 10 0 FKAERN Cc1ccc(N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1Br ZINC000103978991 222347409 /nfs/dbraw/zinc/34/74/09/222347409.db2.gz ZEXHURSUTRPADY-JTQLQIEISA-N 0 0 359.094 6.237 10 0 FKAERN Cc1ccc(N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1Br ZINC000103978993 222346581 /nfs/dbraw/zinc/34/65/81/222346581.db2.gz ZEXHURSUTRPADY-SNVBAGLBSA-N 0 0 359.094 6.237 10 0 FKAERN CC(C)(C)c1ncc(CNc2cc(Br)ccc2Cl)s1 ZINC000103980698 222347449 /nfs/dbraw/zinc/34/74/49/222347449.db2.gz MPWNCCUOBLMWHV-UHFFFAOYSA-N 0 0 359.720 5.469 10 0 FKAERN Cc1ccc(N[C@@H](C)c2cccc(Br)c2)cc1Br ZINC000103980770 209256934 /nfs/dbraw/zinc/25/69/34/209256934.db2.gz IBQKAJWNHRTVET-NSHDSACASA-N 0 0 369.100 5.693 10 0 FKAERN Cc1ccc(N[C@H](C)c2cccc(Br)c2)cc1Br ZINC000103980776 209256055 /nfs/dbraw/zinc/25/60/55/209256055.db2.gz IBQKAJWNHRTVET-LLVKDONJSA-N 0 0 369.100 5.693 10 0 FKAERN Clc1cc(Cl)c(Nc2ncccc2Br)cc1Cl ZINC000103980786 222346825 /nfs/dbraw/zinc/34/68/25/222346825.db2.gz JWKRHONFGGSEKC-UHFFFAOYSA-N 0 0 352.446 5.548 10 0 FKAERN CCNc1ccc(Cl)c(CSc2ccccc2Br)n1 ZINC000103981874 206235732 /nfs/dbraw/zinc/23/57/32/206235732.db2.gz VVSHOJKKPPPXHK-UHFFFAOYSA-N 0 0 357.704 5.222 10 0 FKAERN COc1ccc(Br)cc1NCc1cccc(Cl)c1Cl ZINC000103982279 222346701 /nfs/dbraw/zinc/34/67/01/222346701.db2.gz RXLQIYASDYKNRK-UHFFFAOYSA-N 0 0 361.066 5.377 10 0 FKAERN COc1ccc(Br)cc1NCc1ccc(Cl)c(Cl)c1 ZINC000103983801 206235681 /nfs/dbraw/zinc/23/56/81/206235681.db2.gz ZZGMEASVRQAAET-UHFFFAOYSA-N 0 0 361.066 5.377 10 0 FKAERN FC(F)(F)c1cc(Cl)ccc1Nc1ncccc1Br ZINC000103984077 222347324 /nfs/dbraw/zinc/34/73/24/222347324.db2.gz RQXOKCVTEKDPBH-UHFFFAOYSA-N 0 0 351.553 5.260 10 0 FKAERN Clc1cc(Cl)cc(CNc2cc(Br)ccc2Cl)c1 ZINC000103985699 222347589 /nfs/dbraw/zinc/34/75/89/222347589.db2.gz YUPWKPXGJWKBHP-UHFFFAOYSA-N 0 0 365.485 6.021 10 0 FKAERN Clc1cc(Cl)c(OCc2ccc(Br)s2)cc1Cl ZINC000103985943 209257110 /nfs/dbraw/zinc/25/71/10/209257110.db2.gz XXGRGOVZMWMVBG-UHFFFAOYSA-N 0 0 372.498 6.050 10 0 FKAERN Clc1ccc(OCc2ccc(Br)s2)c2ccccc12 ZINC000103985952 209256258 /nfs/dbraw/zinc/25/62/58/209256258.db2.gz NTHCUNDPHIBGBW-UHFFFAOYSA-N 0 0 353.668 5.896 10 0 FKAERN COc1ccc(Br)cc1COc1ccc(Cl)c(Cl)c1 ZINC000103985958 222346683 /nfs/dbraw/zinc/34/66/83/222346683.db2.gz ORQWLJAQODNCNT-UHFFFAOYSA-N 0 0 362.050 5.344 10 0 FKAERN C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc(Br)cc1Br ZINC000103987517 209256684 /nfs/dbraw/zinc/25/66/84/209256684.db2.gz JNHWAGOYMCOANS-PKFCDNJMSA-N 0 0 361.121 5.051 10 0 FKAERN Cc1ccc(N[C@@H](C)c2ccc(Br)cc2)cc1Br ZINC000103987540 222347583 /nfs/dbraw/zinc/34/75/83/222347583.db2.gz XVYSIPPPLRCDBJ-NSHDSACASA-N 0 0 369.100 5.693 10 0 FKAERN Cc1ccc(N[C@H](C)c2ccc(Br)cc2)cc1Br ZINC000103987544 222346656 /nfs/dbraw/zinc/34/66/56/222346656.db2.gz XVYSIPPPLRCDBJ-LLVKDONJSA-N 0 0 369.100 5.693 10 0 FKAERN Fc1ccc(Br)cc1CNCc1c(Cl)cccc1Cl ZINC000103990585 222348916 /nfs/dbraw/zinc/34/89/16/222348916.db2.gz VMGWOVHAAOYPNS-UHFFFAOYSA-N 0 0 363.057 5.185 10 0 FKAERN CCOc1ccc(Cl)cc1N[C@@H](C)c1ccc(Br)s1 ZINC000103992048 222348421 /nfs/dbraw/zinc/34/84/21/222348421.db2.gz LDHDMPRBBRVFJY-VIFPVBQESA-N 0 0 360.704 5.736 10 0 FKAERN CCOc1ccc(Cl)cc1N[C@H](C)c1ccc(Br)s1 ZINC000103992050 206235694 /nfs/dbraw/zinc/23/56/94/206235694.db2.gz LDHDMPRBBRVFJY-SECBINFHSA-N 0 0 360.704 5.736 10 0 FKAERN CCOc1ccc(Cl)cc1N[C@@H](C)c1sccc1Br ZINC000103992054 222348242 /nfs/dbraw/zinc/34/82/42/222348242.db2.gz RAQHAWMWNQSSGF-VIFPVBQESA-N 0 0 360.704 5.736 10 0 FKAERN CCOc1ccc(Cl)cc1N[C@H](C)c1sccc1Br ZINC000103992058 222348593 /nfs/dbraw/zinc/34/85/93/222348593.db2.gz RAQHAWMWNQSSGF-SECBINFHSA-N 0 0 360.704 5.736 10 0 FKAERN Fc1ccc(COc2cccc(Cl)c2Cl)c(Br)c1 ZINC000103992745 222348678 /nfs/dbraw/zinc/34/86/78/222348678.db2.gz YDCOLKDMAYKXKL-UHFFFAOYSA-N 0 0 350.014 5.474 10 0 FKAERN CC[C@H](Nc1cc(Br)ccc1Cl)c1ccc(Cl)cc1 ZINC000103994455 206236135 /nfs/dbraw/zinc/23/61/35/206236135.db2.gz ANSMBVQPYIVCEV-AWEZNQCLSA-N 0 0 359.094 6.319 10 0 FKAERN CC[C@@H](Nc1cc(Br)ccc1Cl)c1ccc(Cl)cc1 ZINC000103994459 222348100 /nfs/dbraw/zinc/34/81/00/222348100.db2.gz ANSMBVQPYIVCEV-CQSZACIVSA-N 0 0 359.094 6.319 10 0 FKAERN Clc1ccc(NCCOc2ccc(Br)cc2Cl)cc1 ZINC000103995309 222348180 /nfs/dbraw/zinc/34/81/80/222348180.db2.gz HORNZHPYVQMZFH-UHFFFAOYSA-N 0 0 361.066 5.247 10 0 FKAERN Clc1cc(Cl)c(NCc2sccc2Br)c(Cl)c1 ZINC000103995949 209256745 /nfs/dbraw/zinc/25/67/45/209256745.db2.gz WVROCZHTOVRFNF-UHFFFAOYSA-N 0 0 371.514 6.083 10 0 FKAERN Clc1ccc(CC[NH2+]Cc2sccc2Br)c(Cl)c1 ZINC000103997498 209256966 /nfs/dbraw/zinc/25/69/66/209256966.db2.gz HOXMOLCAVXRNSB-UHFFFAOYSA-N 0 0 365.123 5.150 10 0 FKAERN Clc1cc(Cl)cc(OCCNc2ccccc2Br)c1 ZINC000103998493 206236506 /nfs/dbraw/zinc/23/65/06/206236506.db2.gz FPDYLQKDMSOMEZ-UHFFFAOYSA-N 0 0 361.066 5.247 10 0 FKAERN Clc1ccc(OCc2nc(Cl)ccc2Cl)c(Br)c1 ZINC000103998768 205996917 /nfs/dbraw/zinc/99/69/17/205996917.db2.gz UUBYLFHZNFCDHS-UHFFFAOYSA-N 0 0 367.457 5.383 10 0 FKAERN Clc1cc(Cl)cc(OCCNc2cccc(Br)c2)c1 ZINC000104001381 206235842 /nfs/dbraw/zinc/23/58/42/206235842.db2.gz VYBNLYMOLNWDNS-UHFFFAOYSA-N 0 0 361.066 5.247 10 0 FKAERN CCCC[C@@H](CC)CNc1c(Cl)cc(Br)cc1Cl ZINC000104003209 222349010 /nfs/dbraw/zinc/34/90/10/222349010.db2.gz PTGYBIULEPYZPN-SNVBAGLBSA-N 0 0 353.131 6.384 10 0 FKAERN CCNc1cc(C(C)C)nc2c(Br)ccc(Br)c12 ZINC000104004292 222348971 /nfs/dbraw/zinc/34/89/71/222348971.db2.gz QUQHOUOMJCKKRI-UHFFFAOYSA-N 0 0 372.104 5.315 10 0 FKAERN Clc1cccc(OCCNc2ccccc2Br)c1Cl ZINC000104006671 206236283 /nfs/dbraw/zinc/23/62/83/206236283.db2.gz IEEPECNISABREL-UHFFFAOYSA-N 0 0 361.066 5.247 10 0 FKAERN Clc1cccc(Cl)c1OCCNc1ccc(Br)cc1 ZINC000104009596 222348297 /nfs/dbraw/zinc/34/82/97/222348297.db2.gz IJEOAXBWVJBFGR-UHFFFAOYSA-N 0 0 361.066 5.247 10 0 FKAERN Clc1ccc(Cl)c(COc2ccc(Br)cc2Cl)n1 ZINC000104009955 222348504 /nfs/dbraw/zinc/34/85/04/222348504.db2.gz KVBMXHICOMQUEP-UHFFFAOYSA-N 0 0 367.457 5.383 10 0 FKAERN Clc1cc(Cl)c(OCc2nc(Cl)ccc2Cl)c(Cl)c1 ZINC000104009988 205996598 /nfs/dbraw/zinc/99/65/98/205996598.db2.gz QYBRPOMDPUMHJF-UHFFFAOYSA-N 0 0 357.451 5.928 10 0 FKAERN Brc1ccc(Br)c(NC/C=C/c2ccccc2)c1 ZINC000104010262 222348781 /nfs/dbraw/zinc/34/87/81/222348781.db2.gz CLKIAPYJKPGNLZ-QPJJXVBHSA-N 0 0 367.084 5.337 10 0 FKAERN Clc1ccc(NCCOc2ccc(Cl)cc2Br)cc1 ZINC000104012969 206235914 /nfs/dbraw/zinc/23/59/14/206235914.db2.gz VDMVWMCOBDKVOM-UHFFFAOYSA-N 0 0 361.066 5.247 10 0 FKAERN Clc1cc(Cl)cc(NCCOc2cccc(Br)c2)c1 ZINC000104013780 222348025 /nfs/dbraw/zinc/34/80/25/222348025.db2.gz BRFUHIUZKZIFEY-UHFFFAOYSA-N 0 0 361.066 5.247 10 0 FKAERN C[NH2+][C@@H](c1ccc(Br)c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000104014392 206235656 /nfs/dbraw/zinc/23/56/56/206235656.db2.gz IBJHAXDHARMFEY-CQSZACIVSA-N 0 0 363.057 5.204 10 0 FKAERN FC(F)(F)c1ccc(Cl)c(NCc2sccc2Br)c1 ZINC000104017409 222349004 /nfs/dbraw/zinc/34/90/04/222349004.db2.gz BXDVRZIDVQFHDB-UHFFFAOYSA-N 0 0 370.621 5.795 10 0 FKAERN CCC[NH2+][C@H](c1ccc(Br)s1)c1ccc(C)c(Cl)c1 ZINC000104018301 206235671 /nfs/dbraw/zinc/23/56/71/206235671.db2.gz HPTOKTVMGRCBBP-HNNXBMFYSA-N 0 0 358.732 5.561 10 0 FKAERN Brc1ccc(NC/C=C/c2ccccc2)c(Br)c1 ZINC000104019526 209258180 /nfs/dbraw/zinc/25/81/80/209258180.db2.gz FSZPTLIHCLPQSG-QPJJXVBHSA-N 0 0 367.084 5.337 10 0 FKAERN Clc1cc(Br)ccc1NCc1csc2ccccc12 ZINC000104021628 206236184 /nfs/dbraw/zinc/23/61/84/206236184.db2.gz PPDCRWAYLAOWSU-UHFFFAOYSA-N 0 0 352.684 5.929 10 0 FKAERN Cc1ccc(NC2CCC(C(C)C)CC2)cc1I ZINC000104023197 209258613 /nfs/dbraw/zinc/25/86/13/209258613.db2.gz LCTSZDGMZTXEBL-UHFFFAOYSA-N 0 0 357.279 5.226 10 0 FKAERN Cc1ccc(N[C@@H](c2ccccc2)C2CC2)cc1I ZINC000104025315 222348955 /nfs/dbraw/zinc/34/89/55/222348955.db2.gz ASSXFQCZWRCBDB-KRWDZBQOSA-N 0 0 363.242 5.163 10 0 FKAERN Cc1ccc(N[C@H](c2ccccc2)C2CC2)cc1I ZINC000104025319 206235418 /nfs/dbraw/zinc/23/54/18/206235418.db2.gz ASSXFQCZWRCBDB-QGZVFWFLSA-N 0 0 363.242 5.163 10 0 FKAERN O[C@H](c1cc(Cl)sc1Cl)c1ccc(Br)cc1Cl ZINC000104026043 209257754 /nfs/dbraw/zinc/25/77/54/209257754.db2.gz OTGBKMRPNDTQGD-JTQLQIEISA-N 0 0 372.498 5.553 10 0 FKAERN O[C@@H](c1cc(Cl)sc1Cl)c1ccc(Br)cc1Cl ZINC000104026048 222348756 /nfs/dbraw/zinc/34/87/56/222348756.db2.gz OTGBKMRPNDTQGD-SNVBAGLBSA-N 0 0 372.498 5.553 10 0 FKAERN CCCCCC[C@H](C)Nc1ccc(Br)cc1Br ZINC000104027700 205995995 /nfs/dbraw/zinc/99/59/95/205995995.db2.gz HDJBONOUFZXOBW-NSHDSACASA-N 0 0 363.137 5.982 10 0 FKAERN Cc1ccc(N[C@H]2CCCC[C@@H]2C(C)(C)C)cc1I ZINC000104028711 222348579 /nfs/dbraw/zinc/34/85/79/222348579.db2.gz GXSIKFZXLVJDBN-HOCLYGCPSA-N 0 0 371.306 5.616 10 0 FKAERN Cc1ccc(N[C@@H]2CCCC[C@H]2C(C)(C)C)cc1I ZINC000104028716 222349149 /nfs/dbraw/zinc/34/91/49/222349149.db2.gz GXSIKFZXLVJDBN-GDBMZVCRSA-N 0 0 371.306 5.616 10 0 FKAERN Cc1cc(I)ccc1N[C@@H](c1cccs1)C1CC1 ZINC000104028729 222348333 /nfs/dbraw/zinc/34/83/33/222348333.db2.gz MWOWNOCFXIDDBD-OAHLLOKOSA-N 0 0 369.271 5.224 10 0 FKAERN Cc1cc(I)ccc1N[C@H](c1cccs1)C1CC1 ZINC000104028732 205997105 /nfs/dbraw/zinc/99/71/05/205997105.db2.gz MWOWNOCFXIDDBD-HNNXBMFYSA-N 0 0 369.271 5.224 10 0 FKAERN CCCCCC(CCCCC)Nc1cccc(I)c1 ZINC000104030954 222349245 /nfs/dbraw/zinc/34/92/45/222349245.db2.gz SKDUMDYKKDXLSX-UHFFFAOYSA-N 0 0 373.322 6.232 10 0 FKAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1Nc1cccc(I)c1 ZINC000104030962 222348226 /nfs/dbraw/zinc/34/82/26/222348226.db2.gz MBAZJXNXOFFVSB-DAXOMENPSA-N 0 0 357.279 5.164 10 0 FKAERN CCc1ccc([C@@H](C)Nc2ccc(I)cc2C)s1 ZINC000104032282 222348083 /nfs/dbraw/zinc/34/80/83/222348083.db2.gz KDQRREUUODRZJE-LLVKDONJSA-N 0 0 371.287 5.397 10 0 FKAERN CCc1ccc([C@H](C)Nc2ccc(I)cc2C)s1 ZINC000104032286 222349160 /nfs/dbraw/zinc/34/91/60/222349160.db2.gz KDQRREUUODRZJE-NSHDSACASA-N 0 0 371.287 5.397 10 0 FKAERN Clc1c2ccccc2sc1CNc1ccccc1Br ZINC000104032836 222348233 /nfs/dbraw/zinc/34/82/33/222348233.db2.gz GFBODKYGVHAVJW-UHFFFAOYSA-N 0 0 352.684 5.929 10 0 FKAERN Clc1ccc(CNc2c(Cl)cc(Cl)cc2Cl)c(Cl)c1 ZINC000104033014 222348438 /nfs/dbraw/zinc/34/84/38/222348438.db2.gz XSECIJNMSBHXPK-UHFFFAOYSA-N 0 0 355.479 6.566 10 0 FKAERN O[C@H](CC1CCCCC1)c1cc(Br)ccc1Br ZINC000104033139 222348222 /nfs/dbraw/zinc/34/82/22/222348222.db2.gz KGTJTVBHWAJHCQ-CQSZACIVSA-N 0 0 362.105 5.215 10 0 FKAERN Cc1cc(I)ccc1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000104034590 222348986 /nfs/dbraw/zinc/34/89/86/222348986.db2.gz CBRVLORJYZJQPA-SQWLQELKSA-N 0 0 369.290 5.370 10 0 FKAERN Cc1cc(I)ccc1N[C@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000104034606 206235645 /nfs/dbraw/zinc/23/56/45/206235645.db2.gz CBRVLORJYZJQPA-FMKPAKJESA-N 0 0 369.290 5.370 10 0 FKAERN Clc1ccc(N[C@@H]2CCc3cc(Br)ccc32)c(Cl)c1 ZINC000104035148 206236392 /nfs/dbraw/zinc/23/63/92/206236392.db2.gz DYEHKSNAJWUXLB-CQSZACIVSA-N 0 0 357.078 5.855 10 0 FKAERN Clc1ccc(N[C@H]2CCc3cc(Br)ccc32)c(Cl)c1 ZINC000104035154 222349269 /nfs/dbraw/zinc/34/92/69/222349269.db2.gz DYEHKSNAJWUXLB-AWEZNQCLSA-N 0 0 357.078 5.855 10 0 FKAERN CCCCCC(CCCCC)Nc1ccccc1I ZINC000104035286 222348142 /nfs/dbraw/zinc/34/81/42/222348142.db2.gz ZWDWJOQUEUDYIQ-UHFFFAOYSA-N 0 0 373.322 6.232 10 0 FKAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1Nc1ccccc1I ZINC000104035292 222349186 /nfs/dbraw/zinc/34/91/86/222349186.db2.gz ARRNDAZYWPFNGR-XJKCOSOUSA-N 0 0 357.279 5.164 10 0 FKAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Nc1ccccc1I ZINC000104035304 209258616 /nfs/dbraw/zinc/25/86/16/209258616.db2.gz ARRNDAZYWPFNGR-DVOMOZLQSA-N 0 0 357.279 5.164 10 0 FKAERN Cc1cc(CNc2c(Cl)cc(Br)cc2Cl)c(C)s1 ZINC000104035322 209257529 /nfs/dbraw/zinc/25/75/29/209257529.db2.gz RHNYNHRMPBAHNP-UHFFFAOYSA-N 0 0 365.123 6.046 10 0 FKAERN Cc1cc(F)ccc1CNc1c(Cl)cc(Br)cc1Cl ZINC000104035329 209498775 /nfs/dbraw/zinc/49/87/75/209498775.db2.gz NJGDRZUTSCVDTL-UHFFFAOYSA-N 0 0 363.057 5.816 10 0 FKAERN Cc1nc2ccc(N[C@H](C)c3ccc(Br)s3)cc2s1 ZINC000104035583 222348737 /nfs/dbraw/zinc/34/87/37/222348737.db2.gz PUNUTOHQIHTCHI-MRVPVSSYSA-N 0 0 353.310 5.602 10 0 FKAERN Clc1cccc(N[C@H]2CCc3cc(Br)ccc32)c1Cl ZINC000104037250 206236574 /nfs/dbraw/zinc/23/65/74/206236574.db2.gz LUVBSUMQYMLXKL-ZDUSSCGKSA-N 0 0 357.078 5.855 10 0 FKAERN CCc1ccccc1CNc1c(Cl)cc(Br)cc1Cl ZINC000104037310 206236717 /nfs/dbraw/zinc/23/67/17/206236717.db2.gz GWYYXVDCTPMQPV-UHFFFAOYSA-N 0 0 359.094 5.930 10 0 FKAERN Clc1cc(Cl)cc(N[C@H]2CCc3cc(Br)ccc32)c1 ZINC000104038867 209499329 /nfs/dbraw/zinc/49/93/29/209499329.db2.gz LDBBUOYPPPARMQ-HNNXBMFYSA-N 0 0 357.078 5.855 10 0 FKAERN Clc1cc(Cl)cc(N[C@@H]2CCc3cc(Br)ccc32)c1 ZINC000104038872 206236339 /nfs/dbraw/zinc/23/63/39/206236339.db2.gz LDBBUOYPPPARMQ-OAHLLOKOSA-N 0 0 357.078 5.855 10 0 FKAERN Cc1cc(Br)c(N[C@@H](C)C2CCCC2)c(Br)c1 ZINC000104039016 222348885 /nfs/dbraw/zinc/34/88/85/222348885.db2.gz RZKAIJPCKYXVQP-JTQLQIEISA-N 0 0 361.121 5.511 10 0 FKAERN Cc1cc(Br)c(N[C@H](C)C2CCCC2)c(Br)c1 ZINC000104039021 222348982 /nfs/dbraw/zinc/34/89/82/222348982.db2.gz RZKAIJPCKYXVQP-SNVBAGLBSA-N 0 0 361.121 5.511 10 0 FKAERN C[C@H](Nc1c(Cl)cc(Br)cc1Cl)C1CCCCC1 ZINC000104039043 209258501 /nfs/dbraw/zinc/25/85/01/209258501.db2.gz LVAXOCGPSBALMN-VIFPVBQESA-N 0 0 351.115 6.137 10 0 FKAERN C[C@@H](Nc1c(Cl)cc(Br)cc1Cl)C1CCCCC1 ZINC000104039049 222348371 /nfs/dbraw/zinc/34/83/71/222348371.db2.gz LVAXOCGPSBALMN-SECBINFHSA-N 0 0 351.115 6.137 10 0 FKAERN Cc1cccc(CNc2ccc(I)cc2Cl)c1C ZINC000104040552 222348490 /nfs/dbraw/zinc/34/84/90/222348490.db2.gz RLQMQKDSCHASGD-UHFFFAOYSA-N 0 0 371.649 5.174 10 0 FKAERN CC(C)c1ccc(NCc2cc(Br)c(Br)o2)cc1 ZINC000104040642 222348686 /nfs/dbraw/zinc/34/86/86/222348686.db2.gz SXGRLZZXINUQPI-UHFFFAOYSA-N 0 0 373.088 5.540 10 0 FKAERN Clc1cc(Br)cc(Cl)c1NC1CCCCCCC1 ZINC000104040767 222348195 /nfs/dbraw/zinc/34/81/95/222348195.db2.gz UAWVHQMELFXWNV-UHFFFAOYSA-N 0 0 351.115 6.281 10 0 FKAERN CCCCCC[C@@H](C)Nc1c(Cl)cc(Br)cc1Cl ZINC000104040773 205996618 /nfs/dbraw/zinc/99/66/18/205996618.db2.gz MJAKKHVFHAUQFW-SNVBAGLBSA-N 0 0 353.131 6.527 10 0 FKAERN CCCCCC[C@H](C)Nc1ccc(I)cc1Cl ZINC000104042176 222348597 /nfs/dbraw/zinc/34/85/97/222348597.db2.gz WNOWPSKZLOCZSQ-NSHDSACASA-N 0 0 365.686 5.715 10 0 FKAERN Cc1cc(I)ccc1N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000104043616 209499656 /nfs/dbraw/zinc/49/96/56/209499656.db2.gz WEBALRGQHMGEAQ-SRCQZFHVSA-N 0 0 371.306 5.472 10 0 FKAERN Cc1cc(I)ccc1N[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000104043618 206236224 /nfs/dbraw/zinc/23/62/24/206236224.db2.gz WEBALRGQHMGEAQ-VMGRFDJRSA-N 0 0 371.306 5.472 10 0 FKAERN Cc1cc(I)ccc1N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000104043621 222347992 /nfs/dbraw/zinc/34/79/92/222347992.db2.gz WEBALRGQHMGEAQ-XGWLTEMNSA-N 0 0 371.306 5.472 10 0 FKAERN Cc1cc(I)ccc1N[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000104043626 222348833 /nfs/dbraw/zinc/34/88/33/222348833.db2.gz WEBALRGQHMGEAQ-MJEQTWJJSA-N 0 0 371.306 5.472 10 0 FKAERN CC[C@H](O)c1ccc(-c2c(Cl)cc(Br)cc2Cl)o1 ZINC000104045928 205998469 /nfs/dbraw/zinc/99/84/69/205998469.db2.gz WQAKVIHMNUNVNU-JTQLQIEISA-N 0 0 350.039 5.459 10 0 FKAERN CC[C@@H](O)c1ccc(-c2c(Cl)cc(Br)cc2Cl)o1 ZINC000104045930 222349168 /nfs/dbraw/zinc/34/91/68/222349168.db2.gz WQAKVIHMNUNVNU-SNVBAGLBSA-N 0 0 350.039 5.459 10 0 FKAERN CCOc1c(Br)cc(Cl)cc1N[C@@H](C)c1ccsc1 ZINC000104046725 222349077 /nfs/dbraw/zinc/34/90/77/222349077.db2.gz JDCDIVDXSWMAAQ-VIFPVBQESA-N 0 0 360.704 5.736 10 0 FKAERN CC(C)(C)c1ncc(CNc2ccc(Br)cc2Cl)s1 ZINC000104048033 209498543 /nfs/dbraw/zinc/49/85/43/209498543.db2.gz OAIMMVVMFXBFDG-UHFFFAOYSA-N 0 0 359.720 5.469 10 0 FKAERN CC[C@@H](Nc1cc(Br)ccc1Br)c1ccco1 ZINC000104049541 222348718 /nfs/dbraw/zinc/34/87/18/222348718.db2.gz JGBYNCOMSSCXNC-LLVKDONJSA-N 0 0 359.061 5.368 10 0 FKAERN CC(C)c1ccccc1NCc1cc(Br)c(Br)o1 ZINC000104049663 222349198 /nfs/dbraw/zinc/34/91/98/222349198.db2.gz QYYQPYWKBRJHFC-UHFFFAOYSA-N 0 0 373.088 5.540 10 0 FKAERN Cc1ccc(OCc2ccc(F)c(Br)c2)c(Br)c1 ZINC000104152182 209258931 /nfs/dbraw/zinc/25/89/31/209258931.db2.gz CUNVJMBKBARYPT-UHFFFAOYSA-N 0 0 374.047 5.238 10 0 FKAERN Cc1cc(Br)ccc1OCc1ccc(F)cc1Br ZINC000104154044 222351387 /nfs/dbraw/zinc/35/13/87/222351387.db2.gz LOZREYQUERVRSX-UHFFFAOYSA-N 0 0 374.047 5.238 10 0 FKAERN C[C@H](O)c1ccc(Oc2cccc(Br)c2)c(Br)c1 ZINC000104155820 205997743 /nfs/dbraw/zinc/99/77/43/205997743.db2.gz YTMQNAAYMKDION-VIFPVBQESA-N 0 0 372.056 5.057 10 0 FKAERN C[C@@H](O)c1ccc(Oc2ccc(Cl)cc2Br)c(Cl)c1 ZINC000104157132 206235784 /nfs/dbraw/zinc/23/57/84/206235784.db2.gz NSJKLUVNVRUWJZ-MRVPVSSYSA-N 0 0 362.050 5.602 10 0 FKAERN C[C@@H](O)c1ccc(Oc2ccc(Br)cc2Cl)c(Cl)c1 ZINC000104157852 206236362 /nfs/dbraw/zinc/23/63/62/206236362.db2.gz TVIVBMDFJWWCDJ-MRVPVSSYSA-N 0 0 362.050 5.602 10 0 FKAERN CC(=O)CCCCOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000104157933 205998424 /nfs/dbraw/zinc/99/84/24/205998424.db2.gz ACLYLVCWJYEUEP-UHFFFAOYSA-N 0 0 364.483 6.092 10 0 FKAERN CCNc1c(C)c(CC)nc2c(Br)cc(Br)cc21 ZINC000104168208 209260103 /nfs/dbraw/zinc/26/01/03/209260103.db2.gz DQKNMNHUQBAIBR-UHFFFAOYSA-N 0 0 372.104 5.062 10 0 FKAERN CC(=O)c1ccc(Oc2ccccc2Br)c(Br)c1 ZINC000104169633 209259629 /nfs/dbraw/zinc/25/96/29/209259629.db2.gz ALCVCGIXWLQKOQ-UHFFFAOYSA-N 0 0 370.040 5.207 10 0 FKAERN CC(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)c(Br)c1 ZINC000104173641 209258960 /nfs/dbraw/zinc/25/89/60/209258960.db2.gz CCXSQCVRBMLCFC-UHFFFAOYSA-N 0 0 360.034 5.751 10 0 FKAERN Nc1ccc(CSc2cccc(Br)c2)c(Br)c1 ZINC000104181767 222352074 /nfs/dbraw/zinc/35/20/74/222352074.db2.gz WUYRZVIGZUWFRH-UHFFFAOYSA-N 0 0 373.113 5.086 10 0 FKAERN O=C(Cc1ccc(Cl)c(Cl)c1)c1cc(F)cc(Br)c1 ZINC000104183499 222352048 /nfs/dbraw/zinc/35/20/48/222352048.db2.gz GTRAWRMTPFFXBW-UHFFFAOYSA-N 0 0 362.025 5.320 10 0 FKAERN O[C@@H](Cc1ccc(Cl)c(Cl)c1)c1cc(Br)ccc1F ZINC000104183992 222352748 /nfs/dbraw/zinc/35/27/48/222352748.db2.gz CTIDRJRNFLKMCB-AWEZNQCLSA-N 0 0 364.041 5.171 10 0 FKAERN O[C@H](Cc1ccc(Cl)c(Cl)c1)c1cc(Br)ccc1F ZINC000104183993 222352456 /nfs/dbraw/zinc/35/24/56/222352456.db2.gz CTIDRJRNFLKMCB-CQSZACIVSA-N 0 0 364.041 5.171 10 0 FKAERN CC(C)(C)c1ccc(COc2ccccc2I)cc1 ZINC000104184286 222352890 /nfs/dbraw/zinc/35/28/90/222352890.db2.gz FBAPVEAAVLFIOM-UHFFFAOYSA-N 0 0 366.242 5.168 10 0 FKAERN O=C(Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1Br ZINC000104184402 209259674 /nfs/dbraw/zinc/25/96/74/209259674.db2.gz WSKAEABYFHIBMC-UHFFFAOYSA-N 0 0 362.025 5.320 10 0 FKAERN O=C(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1F ZINC000104184407 222351970 /nfs/dbraw/zinc/35/19/70/222351970.db2.gz FVHHENGKVUXJSH-UHFFFAOYSA-N 0 0 362.025 5.320 10 0 FKAERN Cc1cc(Br)ccc1Oc1cc(Br)ccc1C=O ZINC000104184662 209258922 /nfs/dbraw/zinc/25/89/22/209258922.db2.gz ALFSSJVAWLKKJZ-UHFFFAOYSA-N 0 0 370.040 5.125 10 0 FKAERN O=Cc1cccc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000104185311 222352579 /nfs/dbraw/zinc/35/25/79/222352579.db2.gz XMAXPRZUNDGHKX-UHFFFAOYSA-N 0 0 360.034 5.147 10 0 FKAERN [NH3+][C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1F ZINC000104185469 206236319 /nfs/dbraw/zinc/23/63/19/206236319.db2.gz YWOUNFIUGSFWJI-AWEZNQCLSA-N 0 0 363.057 5.138 10 0 FKAERN O=C(Cc1c(F)cccc1Cl)c1ccc(Br)cc1Cl ZINC000104186384 222353143 /nfs/dbraw/zinc/35/31/43/222353143.db2.gz INSMSRGZQDPTAM-UHFFFAOYSA-N 0 0 362.025 5.320 10 0 FKAERN CCCc1c(Cl)ncnc1Oc1ccc(Cl)cc1Br ZINC000104206945 222352663 /nfs/dbraw/zinc/35/26/63/222352663.db2.gz SEIWUCJGPVLJNA-UHFFFAOYSA-N 0 0 362.054 5.291 10 0 FKAERN CCCc1c(Cl)ncnc1Oc1ccc(Br)cc1Cl ZINC000104210424 222352221 /nfs/dbraw/zinc/35/22/21/222352221.db2.gz UTUVXTAGHPWSEQ-UHFFFAOYSA-N 0 0 362.054 5.291 10 0 FKAERN Cc1c(Cl)c2c(Br)ccc(Cl)c2nc1C(F)(F)F ZINC000104211022 209259953 /nfs/dbraw/zinc/25/99/53/209259953.db2.gz ATKVAXVDNVYXQC-UHFFFAOYSA-N 0 0 358.972 5.631 10 0 FKAERN CCCc1c(Cl)ncnc1Nc1ccc(Br)cc1Cl ZINC000104219862 209259104 /nfs/dbraw/zinc/25/91/04/209259104.db2.gz FXDAMVIYNXJFTR-UHFFFAOYSA-N 0 0 361.070 5.242 10 0 FKAERN CN[C@H](c1sccc1Br)c1cc(Cl)ccc1Cl ZINC000104285695 222354288 /nfs/dbraw/zinc/35/42/88/222354288.db2.gz SULSVIVMRCTQGC-NSHDSACASA-N 0 0 351.096 5.126 10 0 FKAERN CN[C@@H](c1sccc1Br)c1cc(Cl)ccc1Cl ZINC000104285700 222353622 /nfs/dbraw/zinc/35/36/22/222353622.db2.gz SULSVIVMRCTQGC-LLVKDONJSA-N 0 0 351.096 5.126 10 0 FKAERN CC[NH2+][C@H](c1sccc1Br)c1ccc(Cl)c(Cl)c1 ZINC000104289221 209259904 /nfs/dbraw/zinc/25/99/04/209259904.db2.gz AABHDFZLGSYWCC-LBPRGKRZSA-N 0 0 365.123 5.516 10 0 FKAERN O[C@@H](Cc1ccc(Cl)c(Cl)c1)c1sccc1Br ZINC000104295450 209259097 /nfs/dbraw/zinc/25/90/97/209259097.db2.gz NPQAJXCOTGZENS-NSHDSACASA-N 0 0 352.080 5.094 10 0 FKAERN O[C@H](Cc1ccc(Cl)c(Cl)c1)c1sccc1Br ZINC000104295453 222353661 /nfs/dbraw/zinc/35/36/61/222353661.db2.gz NPQAJXCOTGZENS-LLVKDONJSA-N 0 0 352.080 5.094 10 0 FKAERN Cc1ccc(Cl)c(NC(=O)c2sccc2Br)c1Cl ZINC000104295485 209260035 /nfs/dbraw/zinc/26/00/35/209260035.db2.gz NRJKUDBCCXVNFJ-UHFFFAOYSA-N 0 0 365.079 5.378 10 0 FKAERN Cc1cc2c(nc(Cc3cccc(Br)c3)nc2Cl)s1 ZINC000104347199 222355650 /nfs/dbraw/zinc/35/56/50/222355650.db2.gz BSPJMOBQMRJJII-UHFFFAOYSA-N 0 0 353.672 5.006 10 0 FKAERN O=C(Cn1ccc2cc(Cl)ccc21)c1sccc1Br ZINC000104428365 222357775 /nfs/dbraw/zinc/35/77/75/222357775.db2.gz LHWUEHUCLNEBES-UHFFFAOYSA-N 0 0 354.656 5.002 10 0 FKAERN C[C@H](NC(=O)c1ccc(F)cc1Br)c1ccc2ccccc2c1 ZINC000104912821 222362668 /nfs/dbraw/zinc/36/26/68/222362668.db2.gz IJPYXIPCSNEGDX-LBPRGKRZSA-N 0 0 372.237 5.232 10 0 FKAERN C[C@@H](NC(=O)c1ccc(F)cc1Br)c1ccc2ccccc2c1 ZINC000104912824 222362663 /nfs/dbraw/zinc/36/26/63/222362663.db2.gz IJPYXIPCSNEGDX-GFCCVEGCSA-N 0 0 372.237 5.232 10 0 FKAERN CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000105027825 209264600 /nfs/dbraw/zinc/26/46/00/209264600.db2.gz QBEFIFWEOSUTKV-OKZBNKHCSA-N 0 0 370.577 7.457 10 0 FKAERN CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000105027829 209264721 /nfs/dbraw/zinc/26/47/21/209264721.db2.gz QBEFIFWEOSUTKV-BZSNNMDCSA-N 0 0 370.577 7.457 10 0 FKAERN Cc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1 ZINC000105621589 222372533 /nfs/dbraw/zinc/37/25/33/222372533.db2.gz OBDMZOGOOLBQNX-UHFFFAOYSA-N 0 0 367.452 5.159 10 0 FKAERN Cc1oc(-c2ccccc2)nc1CN(Cc1c(F)cccc1Cl)C1CC1 ZINC000105627488 209266638 /nfs/dbraw/zinc/26/66/38/209266638.db2.gz YMHJUYDKFRHSHR-UHFFFAOYSA-N 0 0 370.855 5.607 10 0 FKAERN CC1CCC(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000105663633 206008607 /nfs/dbraw/zinc/00/86/07/206008607.db2.gz OMPBXTXXEVVFAF-BACDZXNISA-N 0 0 354.519 5.041 10 0 FKAERN CC1CCC(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000105663635 209267395 /nfs/dbraw/zinc/26/73/95/209267395.db2.gz OMPBXTXXEVVFAF-GQGLESIBSA-N 0 0 354.519 5.041 10 0 FKAERN CC1CCC(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 ZINC000105663638 209267023 /nfs/dbraw/zinc/26/70/23/209267023.db2.gz OMPBXTXXEVVFAF-BHUNQDJPSA-N 0 0 354.519 5.041 10 0 FKAERN CC1CCC(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 ZINC000105663640 206008528 /nfs/dbraw/zinc/00/85/28/206008528.db2.gz OMPBXTXXEVVFAF-SJJHQCBESA-N 0 0 354.519 5.041 10 0 FKAERN CCC(=O)Nc1cccc(NC(=O)c2sccc2-c2ccc(C)cc2)c1 ZINC000105835703 222376675 /nfs/dbraw/zinc/37/66/75/222376675.db2.gz VUFVOWUFCKPTPF-UHFFFAOYSA-N 0 0 364.470 5.324 10 0 FKAERN COc1ccccc1[C@H](C)N(C)C(=O)c1oc2c(cccc2Cl)c1C ZINC000105865127 209269944 /nfs/dbraw/zinc/26/99/44/209269944.db2.gz OZGNUXOMWYQACA-ZDUSSCGKSA-N 0 0 357.837 5.236 10 0 FKAERN COc1ccccc1[C@@H](C)N(C)C(=O)c1oc2c(cccc2Cl)c1C ZINC000105865129 222378238 /nfs/dbraw/zinc/37/82/38/222378238.db2.gz OZGNUXOMWYQACA-CYBMUJFWSA-N 0 0 357.837 5.236 10 0 FKAERN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000105875088 222377999 /nfs/dbraw/zinc/37/79/99/222377999.db2.gz LIUJIBCUXOFFOH-SSKCKEOISA-N 0 0 366.263 5.456 10 0 FKAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1F)C(c1ccccc1)c1ccccc1 ZINC000105892592 209269496 /nfs/dbraw/zinc/26/94/96/209269496.db2.gz RSDXOBYDAXRRCZ-MTNREXPMSA-N 0 0 373.471 5.266 10 0 FKAERN O=C(c1csc(-c2ccco2)n1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000105904789 222379874 /nfs/dbraw/zinc/37/98/74/222379874.db2.gz OZWYNARGJSOXMG-SFHVURJKSA-N 0 0 364.470 5.085 10 0 FKAERN O=C(c1csc(-c2ccco2)n1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000105904791 222378838 /nfs/dbraw/zinc/37/88/38/222378838.db2.gz OZWYNARGJSOXMG-GOSISDBHSA-N 0 0 364.470 5.085 10 0 FKAERN CCC1CCC(N(C(=O)Cc2csc(-c3ccsc3)n2)C2CC2)CC1 ZINC000105917619 209269315 /nfs/dbraw/zinc/26/93/15/209269315.db2.gz XUDHUQYLTXGDSJ-UHFFFAOYSA-N 0 0 374.575 5.374 10 0 FKAERN Cc1nc(-c2ccc(CC(=O)Nc3ccc(C)cc3Cl)cc2)cs1 ZINC000105967618 209269897 /nfs/dbraw/zinc/26/98/97/209269897.db2.gz VJGHWNXREQEJHK-UHFFFAOYSA-N 0 0 356.878 5.262 10 0 FKAERN Cc1oc(C)c(C(=O)Nc2ccccc2-c2ccccc2)c1Br ZINC000105968097 206011046 /nfs/dbraw/zinc/01/10/46/206011046.db2.gz DZOATKUJYXEGLK-UHFFFAOYSA-N 0 0 370.246 5.578 10 0 FKAERN Cc1oc(C)c(C(=O)Nc2cccc(Cl)c2Cl)c1Br ZINC000105968576 222379253 /nfs/dbraw/zinc/37/92/53/222379253.db2.gz XRNVFOVEFZVMNY-UHFFFAOYSA-N 0 0 363.038 5.218 10 0 FKAERN Cc1nc(-c2ccc(CC(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2)cs1 ZINC000105973212 209269817 /nfs/dbraw/zinc/26/98/17/209269817.db2.gz ARXZOVNRFAPIAM-ZDUSSCGKSA-N 0 0 370.905 5.192 10 0 FKAERN Cc1nc(-c2ccc(CC(=O)N[C@H](C)c3ccc(Cl)cc3)cc2)cs1 ZINC000105973216 209269862 /nfs/dbraw/zinc/26/98/62/209269862.db2.gz ARXZOVNRFAPIAM-CYBMUJFWSA-N 0 0 370.905 5.192 10 0 FKAERN Cc1oc(C)c(C(=O)N[C@@H](C)c2cccc3ccccc32)c1Br ZINC000105974433 222379088 /nfs/dbraw/zinc/37/90/88/222379088.db2.gz BRTFLGWIRNFVIH-NSHDSACASA-N 0 0 372.262 5.303 10 0 FKAERN Cc1oc(C)c(C(=O)N[C@H](C)c2cccc3ccccc32)c1Br ZINC000105974435 222379665 /nfs/dbraw/zinc/37/96/65/222379665.db2.gz BRTFLGWIRNFVIH-LLVKDONJSA-N 0 0 372.262 5.303 10 0 FKAERN COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccccc1SC(F)(F)F ZINC000105977564 206011761 /nfs/dbraw/zinc/01/17/61/206011761.db2.gz DYTFLWRIHVHRDU-GFCCVEGCSA-N 0 0 369.408 5.107 10 0 FKAERN COc1ccc(C)cc1[C@H](C)NC(=O)c1ccccc1SC(F)(F)F ZINC000105977566 206012341 /nfs/dbraw/zinc/01/23/41/206012341.db2.gz DYTFLWRIHVHRDU-LBPRGKRZSA-N 0 0 369.408 5.107 10 0 FKAERN Cc1oc(C)c(C(=O)Nc2ccc3c4c(cccc42)CC3)c1Br ZINC000105980086 209270828 /nfs/dbraw/zinc/27/08/28/209270828.db2.gz NUIFLGZUQAIABR-UHFFFAOYSA-N 0 0 370.246 5.163 10 0 FKAERN CN(C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1)c1nc2ccccc2s1 ZINC000105981888 206012262 /nfs/dbraw/zinc/01/22/62/206012262.db2.gz ZUKQXRKIJPNPFW-UHFFFAOYSA-N 0 0 364.514 5.288 10 0 FKAERN Cc1cc(C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)c2ccc(F)cc2n1 ZINC000105984656 206011137 /nfs/dbraw/zinc/01/11/37/206011137.db2.gz WHYFYOODCUBOMM-ZDUSSCGKSA-N 0 0 356.828 5.169 10 0 FKAERN Cc1cc(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)c2ccc(F)cc2n1 ZINC000105984659 222381126 /nfs/dbraw/zinc/38/11/26/222381126.db2.gz WHYFYOODCUBOMM-CYBMUJFWSA-N 0 0 356.828 5.169 10 0 FKAERN CCC1CCC(N(C(=O)c2cc(C)nc3cc(F)ccc32)C2CC2)CC1 ZINC000105984918 222381077 /nfs/dbraw/zinc/38/10/77/222381077.db2.gz PCCQUTGFUXPTPJ-UHFFFAOYSA-N 0 0 354.469 5.256 10 0 FKAERN CCN(C(=O)c1cc(Cl)c(OC)c(OC)c1)c1cccc2ccccc21 ZINC000106005285 222380551 /nfs/dbraw/zinc/38/05/51/222380551.db2.gz CVQSKPULGZJIIK-UHFFFAOYSA-N 0 0 369.848 5.177 10 0 FKAERN CC(C)c1ccc(-c2nc(C(=O)N([C@@H](C)C(C)C)C3CC3)cs2)cc1 ZINC000106039420 222382235 /nfs/dbraw/zinc/38/22/35/222382235.db2.gz CILXUCVBUNSAQH-HNNXBMFYSA-N 0 0 356.535 5.583 10 0 FKAERN CC(C)c1ccc(-c2nc(C(=O)N([C@H](C)C(C)C)C3CC3)cs2)cc1 ZINC000106039422 222382175 /nfs/dbraw/zinc/38/21/75/222382175.db2.gz CILXUCVBUNSAQH-OAHLLOKOSA-N 0 0 356.535 5.583 10 0 FKAERN Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000106089240 222382116 /nfs/dbraw/zinc/38/21/16/222382116.db2.gz HVCFZUMOOMMNEE-UHFFFAOYSA-N 0 0 369.415 5.143 10 0 FKAERN Cc1ccc(NCc2ccc(-c3ccc(Br)cc3)o2)cc1C ZINC000106951525 222389680 /nfs/dbraw/zinc/38/96/80/222389680.db2.gz USABEYHXQQYDMW-UHFFFAOYSA-N 0 0 356.263 5.938 10 0 FKAERN Clc1ccc(-c2ccc(CNc3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000106951766 132266019 /nfs/dbraw/zinc/26/60/19/132266019.db2.gz ZHFCXKFXAZAQLX-UHFFFAOYSA-N 0 0 368.864 5.049 10 0 FKAERN CSc1cccc(NC(=O)N[C@H](C)c2cccc(Br)c2)c1 ZINC000107504211 222396492 /nfs/dbraw/zinc/39/64/92/222396492.db2.gz CUUUJRCZYLBSPC-LLVKDONJSA-N 0 0 365.296 5.054 10 0 FKAERN Cc1cc(C)c(NC(=O)N[C@@H](C)c2cccc(Br)c2)c(C)c1 ZINC000107504656 222396384 /nfs/dbraw/zinc/39/63/84/222396384.db2.gz NCHHESGTDYKBPB-AWEZNQCLSA-N 0 0 361.283 5.257 10 0 FKAERN Cc1cc(C)c(NC(=O)N[C@H](C)c2cccc(Br)c2)c(C)c1 ZINC000107504659 209277259 /nfs/dbraw/zinc/27/72/59/209277259.db2.gz NCHHESGTDYKBPB-CQSZACIVSA-N 0 0 361.283 5.257 10 0 FKAERN C[C@H](NC(=O)c1ccc(Oc2cccnc2)cc1)c1ccc(Cl)cc1 ZINC000109065810 206044979 /nfs/dbraw/zinc/04/49/79/206044979.db2.gz SBEYKFZHRKNGDR-AWEZNQCLSA-N 0 0 352.821 5.018 10 0 FKAERN Clc1nc2ccccc2c(Oc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000110238906 222482900 /nfs/dbraw/zinc/48/29/00/222482900.db2.gz WVYGAFXCDXPCIK-UHFFFAOYSA-N 0 0 360.027 6.036 10 0 FKAERN C[C@H](c1ccc(Cl)s1)n1c(=S)[nH]c2cc(Br)ccc21 ZINC000110450316 206268378 /nfs/dbraw/zinc/26/83/78/206268378.db2.gz CYUCPEGXWVUSDN-SSDOTTSWSA-N 0 0 373.728 5.412 10 0 FKAERN Cc1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000110463724 209323478 /nfs/dbraw/zinc/32/34/78/209323478.db2.gz WPPHULCMDZWZQA-UHFFFAOYSA-N 0 0 356.057 5.099 10 0 FKAERN CCCCc1ccc(CN2C=CN(Cc3ccc(CCCC)cc3)C2)cc1 ZINC000111864801 203931469 /nfs/dbraw/zinc/93/14/69/203931469.db2.gz CVGUYIHJQZWIMH-UHFFFAOYSA-N 0 0 362.561 6.118 10 0 FKAERN CCCCCCCCCCCCCCCCCC(=O)[N+](C)(C)CC(=O)[O-] ZINC000111884230 717148772 /nfs/dbraw/zinc/14/87/72/717148772.db2.gz RQFMXXMHBDZPOZ-UHFFFAOYSA-O 0 0 370.598 5.936 10 0 FKAERN CCN(CC)c1ccc([C@]2(c3ccc(C)cc3)OC(=O)c3ccccc32)cc1 ZINC000111895023 222494867 /nfs/dbraw/zinc/49/48/67/222494867.db2.gz ITVGBYWULHOXRJ-VWLOTQADSA-N 0 0 371.480 5.304 10 0 FKAERN CC(C)=CCC/C(C)=C/C(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21 ZINC000111903860 209333993 /nfs/dbraw/zinc/33/39/93/209333993.db2.gz PDIXICHEAZLDNO-XDJHFCHBSA-N 0 0 368.524 7.474 10 0 FKAERN C[C@@H]1CC[C@H](C)P1c1sc2ccccc2c1P1[C@@H](C)CC[C@@H]1C ZINC000112970010 206088636 /nfs/dbraw/zinc/08/86/36/206088636.db2.gz LDQZIAAVXCYZQO-SIYXQYAASA-N 0 0 362.459 6.257 10 0 FKAERN CCOC(=O)c1ccc2c(c1)sc(Br)c2C1CCCC1 ZINC000115684330 206096312 /nfs/dbraw/zinc/09/63/12/206096312.db2.gz DNFKOODYJMFAQH-UHFFFAOYSA-N 0 0 353.281 5.498 10 0 FKAERN Cc1cc(OC(F)(F)F)ccc1-c1ccc2cc(-n3ccnc3)ccc2n1 ZINC000117239487 209347223 /nfs/dbraw/zinc/34/72/23/209347223.db2.gz AJLDSFDDBIOXAN-UHFFFAOYSA-N 0 0 369.346 5.295 10 0 FKAERN O=C(Nc1ccccc1)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000118416140 209347959 /nfs/dbraw/zinc/34/79/59/209347959.db2.gz HKRMPJVDMMMYOC-UHFFFAOYSA-N 0 0 361.426 5.313 10 0 FKAERN CC(=O)O[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 ZINC000118912639 570559595 /nfs/dbraw/zinc/55/95/95/570559595.db2.gz OCALFWPYWJWRRG-DXPSHRSCSA-N 0 0 360.538 5.166 10 0 FKAERN CC(=O)O[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 ZINC000118912640 570559707 /nfs/dbraw/zinc/55/97/07/570559707.db2.gz OCALFWPYWJWRRG-QHGJAOADSA-N 0 0 360.538 5.166 10 0 FKAERN CC(=O)[C@@]12CC=CC[C@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000118914417 570559592 /nfs/dbraw/zinc/55/95/92/570559592.db2.gz HVHYRVHDTSSVNF-UZZVPUAOSA-N 0 0 368.561 5.462 10 0 FKAERN CC(=O)[C@]12CC=CC[C@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000118914418 209348437 /nfs/dbraw/zinc/34/84/37/209348437.db2.gz HVHYRVHDTSSVNF-YFZYAMFLSA-N 0 0 368.561 5.462 10 0 FKAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C/c1ccccc1)[C@@H]2O ZINC000118919675 209348840 /nfs/dbraw/zinc/34/88/40/209348840.db2.gz LZOCUXGUHLCYSF-FIYYXEJNSA-N 0 0 364.573 6.474 10 0 FKAERN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C/c1ccccc1)[C@@H]2O ZINC000118919676 206103487 /nfs/dbraw/zinc/10/34/87/206103487.db2.gz LZOCUXGUHLCYSF-YXPCGRPASA-N 0 0 364.573 6.474 10 0 FKAERN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C=CCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118930540 209348652 /nfs/dbraw/zinc/34/86/52/209348652.db2.gz SFBMPHLOQAKIBY-CJPSHIORSA-N 0 0 370.665 8.274 10 0 FKAERN CCc1ccc([C@@H]2CCCCN2C(=O)C[C@@H](C)c2ccccc2OC)o1 ZINC000128542729 567911452 /nfs/dbraw/zinc/91/14/52/567911452.db2.gz RRUGQAPUKPTLEI-APWZRJJASA-N 0 0 355.478 5.098 10 0 FKAERN CCc1ccc([C@H]2CCCCN2C(=O)C[C@@H](C)c2ccccc2OC)o1 ZINC000128542937 567953476 /nfs/dbraw/zinc/95/34/76/567953476.db2.gz RRUGQAPUKPTLEI-VQIMIIECSA-N 0 0 355.478 5.098 10 0 FKAERN CCc1ccc([C@@H]2CCCCN2C(=O)C[C@H](C)c2ccccc2OC)o1 ZINC000128543163 567953451 /nfs/dbraw/zinc/95/34/51/567953451.db2.gz RRUGQAPUKPTLEI-LPHOPBHVSA-N 0 0 355.478 5.098 10 0 FKAERN CCc1ccc([C@H]2CCCCN2C(=O)C[C@H](C)c2ccccc2OC)o1 ZINC000128543354 567953521 /nfs/dbraw/zinc/95/35/21/567953521.db2.gz RRUGQAPUKPTLEI-QFBILLFUSA-N 0 0 355.478 5.098 10 0 FKAERN Cc1ccc(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000138151960 209377528 /nfs/dbraw/zinc/37/75/28/209377528.db2.gz RRIFKENLUOFZAT-UHFFFAOYSA-N 0 0 372.346 5.453 10 0 FKAERN O=C(Nc1ccc(F)cc1F)c1cccc(Oc2cccc(Cl)c2)n1 ZINC000138152071 206134187 /nfs/dbraw/zinc/13/41/87/206134187.db2.gz WOUWRRPMKQOITQ-UHFFFAOYSA-N 0 0 360.747 5.058 10 0 FKAERN CCCn1c(C)c(C(=O)c2c(OC)ccc3ccccc32)c2ccccc21 ZINC000138850486 222545847 /nfs/dbraw/zinc/54/58/47/222545847.db2.gz KZZVAMWCIGECDF-UHFFFAOYSA-N 0 0 357.453 5.753 10 0 FKAERN COc1ccc(Cc2n[nH]c3cc(Sc4ccc(F)cc4)ccc32)cc1 ZINC000139687162 209378335 /nfs/dbraw/zinc/37/83/35/209378335.db2.gz DULPPZZZVMTHTP-UHFFFAOYSA-N 0 0 364.445 5.453 10 0 FKAERN CCOC(=O)c1cc2cc(-c3ccccc3)ncc2n1Cc1cccc(F)c1 ZINC000141052514 222547816 /nfs/dbraw/zinc/54/78/16/222547816.db2.gz VUUGQNQFCBONGU-UHFFFAOYSA-N 0 0 374.415 5.067 10 0 FKAERN COC(=O)c1ccc(-c2nc(CSc3ccc(C)cc3)c(C)o2)cc1 ZINC000145493156 567824971 /nfs/dbraw/zinc/82/49/71/567824971.db2.gz GNTBUPLEEABTEM-UHFFFAOYSA-N 0 0 353.443 5.037 10 0 FKAERN COc1ccc(Cn2c(C)cc3ccnc(NCc4ccccc4)c32)cc1 ZINC000145969662 206140025 /nfs/dbraw/zinc/14/00/25/206140025.db2.gz RALQNNLQCLVOLU-UHFFFAOYSA-N 0 0 357.457 5.014 10 0 FKAERN Cc1cc2ccnc(NCc3ccccc3)c2n1CCOCc1ccccc1 ZINC000145996973 206139749 /nfs/dbraw/zinc/13/97/49/206139749.db2.gz HIVZPQMJWRSHFM-UHFFFAOYSA-N 0 0 371.484 5.174 10 0 FKAERN CCOC(=O)c1ccc2c(n1)n(C)c(-c1ccccc1)c2C1CCCCC1 ZINC000147567575 206141573 /nfs/dbraw/zinc/14/15/73/206141573.db2.gz QEWHIUHPZDNTKV-UHFFFAOYSA-N 0 0 362.473 5.465 10 0 FKAERN CCc1nc(-c2cccc(C(C)C)c2)c(-c2ccnc(NC(C)=O)c2)s1 ZINC000148229960 206141761 /nfs/dbraw/zinc/14/17/61/206141761.db2.gz PRZLRMTWTAYKLM-UHFFFAOYSA-N 0 0 365.502 5.516 10 0 FKAERN CC1(C)c2ccccc2-c2ccc(Nc3cccc(-c4ccccc4)c3)cc21 ZINC000148284919 571307320 /nfs/dbraw/zinc/30/73/20/571307320.db2.gz SLMLVHPSGBYQPA-UHFFFAOYSA-N 0 0 361.488 7.404 10 0 FKAERN CCCc1cccc(-c2nc(CC)sc2-c2ccnc(NC(C)=O)c2)c1 ZINC000148352399 206141267 /nfs/dbraw/zinc/14/12/67/206141267.db2.gz FLPZMWLLHKOESI-UHFFFAOYSA-N 0 0 365.502 5.345 10 0 FKAERN CCc1nc(-c2ccc(Cl)cc2)c(-c2ccnc(NC(C)=O)c2)s1 ZINC000148663426 206140714 /nfs/dbraw/zinc/14/07/14/206140714.db2.gz WVACEECHLCKMGL-UHFFFAOYSA-N 0 0 357.866 5.046 10 0 FKAERN Clc1ccc2nc(Cc3nc4ccc(Cl)cc4s3)sc2c1 ZINC000148740088 571165581 /nfs/dbraw/zinc/16/55/81/571165581.db2.gz BFGXMWMMIZMHQQ-UHFFFAOYSA-N 0 0 351.283 5.804 10 0 FKAERN Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4cccnc4)cc23)c1F ZINC000148768832 206141243 /nfs/dbraw/zinc/14/12/43/206141243.db2.gz TWUODPGNABYEGW-UHFFFAOYSA-N 0 0 374.350 5.225 10 0 FKAERN Nc1nc(-c2cccc(Cl)c2)c(-c2ccnc(N3CCCCC3)c2)s1 ZINC000148823323 132252310 /nfs/dbraw/zinc/25/23/10/132252310.db2.gz ZXRPUWBGJKDVFA-UHFFFAOYSA-N 0 0 370.909 5.098 10 0 FKAERN CCn1ccc2cc(-c3ccc4oc(NC5CCCCC5)nc4c3)ccc21 ZINC000149275456 222549363 /nfs/dbraw/zinc/54/93/63/222549363.db2.gz CUMDRSHEJCGNBD-UHFFFAOYSA-N 0 0 359.473 6.214 10 0 FKAERN Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4ccccn4)cc23)c1F ZINC000150043697 209384517 /nfs/dbraw/zinc/38/45/17/209384517.db2.gz VYXFDRQGBWEGSE-UHFFFAOYSA-N 0 0 374.350 5.225 10 0 FKAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000159189965 567916311 /nfs/dbraw/zinc/91/63/11/567916311.db2.gz DHMZOGHENGBKPA-IERDGZPVSA-N 0 0 367.537 5.018 10 0 FKAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000159190115 567916442 /nfs/dbraw/zinc/91/64/42/567916442.db2.gz DHMZOGHENGBKPA-IIBYNOLFSA-N 0 0 367.537 5.018 10 0 FKAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000159190266 567916451 /nfs/dbraw/zinc/91/64/51/567916451.db2.gz DHMZOGHENGBKPA-KKSFZXQISA-N 0 0 367.537 5.018 10 0 FKAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000159190415 567916429 /nfs/dbraw/zinc/91/64/29/567916429.db2.gz DHMZOGHENGBKPA-HRAATJIYSA-N 0 0 367.537 5.018 10 0 FKAERN Cc1ccc2ccccc2c1[C@@H](O)c1cc(Br)ccc1Cl ZINC000160998027 203930665 /nfs/dbraw/zinc/93/06/65/203930665.db2.gz QOPKLALPDXGJHS-SFHVURJKSA-N 0 0 361.666 5.646 10 0 FKAERN COc1cnc2[nH]cc(-c3oncc3-c3cccc(Cl)c3Cl)c2c1 ZINC000165526359 206243263 /nfs/dbraw/zinc/24/32/63/206243263.db2.gz HHASHZXMZRNNQD-UHFFFAOYSA-N 0 0 360.200 5.200 10 0 FKAERN CCCCC/C=C/C/C=C/C/C=C\C/C=C/CC[C@H](C)C(=O)NCCF ZINC000169692768 206255115 /nfs/dbraw/zinc/25/51/15/206255115.db2.gz HMMNZALKMVCHHZ-CETHYRJRSA-N 0 0 363.561 6.464 10 0 FKAERN FC(F)(F)CCCCCCCCCCCCCCCCC(F)(F)F ZINC000169795199 209537585 /nfs/dbraw/zinc/53/75/85/209537585.db2.gz LHTRNLWYVFUZLR-UHFFFAOYSA-N 0 0 362.442 8.353 10 0 FKAERN CC(C)[Si](C(C)C)(C(C)C)N1c2ccccc2Sc2ccccc21 ZINC000169808692 535310405 /nfs/dbraw/zinc/31/04/05/535310405.db2.gz AMFVEBXDYMVBQK-UHFFFAOYSA-N 0 0 355.623 7.465 10 0 FKAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(-c3ccccc3)cc2)cs1 ZINC000186896821 568004085 /nfs/dbraw/zinc/00/40/85/568004085.db2.gz PJSGZWKFCNTDPV-FQEVSTJZSA-N 0 0 363.486 5.488 10 0 FKAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)c(Cl)c2)cs1 ZINC000186899001 568005562 /nfs/dbraw/zinc/00/55/62/568005562.db2.gz YEQZHAHOHIMOLN-AWEZNQCLSA-N 0 0 356.278 5.127 10 0 FKAERN C[C@H](N[C@@H](C)c1ncc(Br)cc1F)c1ccc(Cl)s1 ZINC000186967470 568029478 /nfs/dbraw/zinc/02/94/78/568029478.db2.gz DKCKTEHLHUUNHK-YUMQZZPRSA-N 0 0 363.683 5.110 10 0 FKAERN C[C@@H](N[C@@H](C)c1ncc(Br)cc1F)c1ccc(Cl)s1 ZINC000186967490 568029568 /nfs/dbraw/zinc/02/95/68/568029568.db2.gz DKCKTEHLHUUNHK-SFYZADRCSA-N 0 0 363.683 5.110 10 0 FKAERN C[C@@H](N[C@@H](C)c1ccc(Cl)s1)c1ncc(Br)cc1F ZINC000186967506 568029585 /nfs/dbraw/zinc/02/95/85/568029585.db2.gz DKCKTEHLHUUNHK-JGVFFNPUSA-N 0 0 363.683 5.110 10 0 FKAERN C[C@@H](N[C@H](C)c1ncc(Br)cc1F)c1ccc(Cl)s1 ZINC000186967524 568029535 /nfs/dbraw/zinc/02/95/35/568029535.db2.gz DKCKTEHLHUUNHK-HTQZYQBOSA-N 0 0 363.683 5.110 10 0 FKAERN CC(F)(F)c1cccc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000187014317 568050442 /nfs/dbraw/zinc/05/04/42/568050442.db2.gz OWKDUUZZKMLTDS-WCQYABFASA-N 0 0 350.331 5.041 10 0 FKAERN CC(F)(F)c1cccc(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000187014895 568050698 /nfs/dbraw/zinc/05/06/98/568050698.db2.gz OWKDUUZZKMLTDS-AAEUAGOBSA-N 0 0 350.331 5.041 10 0 FKAERN CC(F)(F)c1cccc(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000187014915 568050707 /nfs/dbraw/zinc/05/07/07/568050707.db2.gz OWKDUUZZKMLTDS-DGCLKSJQSA-N 0 0 350.331 5.041 10 0 FKAERN CC(F)(F)c1cccc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000187014937 568050725 /nfs/dbraw/zinc/05/07/25/568050725.db2.gz OWKDUUZZKMLTDS-YPMHNXCESA-N 0 0 350.331 5.041 10 0 FKAERN CC(C)C[C@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)c1cccs1 ZINC000188600683 567982544 /nfs/dbraw/zinc/98/25/44/567982544.db2.gz FEVBBRCNPPOJHM-SFHVURJKSA-N 0 0 366.534 5.076 10 0 FKAERN CC(C)C[C@@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)c1cccs1 ZINC000188600708 567982580 /nfs/dbraw/zinc/98/25/80/567982580.db2.gz FEVBBRCNPPOJHM-GOSISDBHSA-N 0 0 366.534 5.076 10 0 FKAERN Cc1c2ccccc2oc1[C@@H](C)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000188608047 567987655 /nfs/dbraw/zinc/98/76/55/567987655.db2.gz KGDZUNCFUVXXMJ-MRXNPFEDSA-N 0 0 372.472 5.043 10 0 FKAERN Cc1c2ccccc2oc1[C@H](C)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000188608068 567987657 /nfs/dbraw/zinc/98/76/57/567987657.db2.gz KGDZUNCFUVXXMJ-INIZCTEOSA-N 0 0 372.472 5.043 10 0 FKAERN CC[C@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)c1cccc(Cl)c1 ZINC000188609896 567988255 /nfs/dbraw/zinc/98/82/55/567988255.db2.gz BGHHFUDHDSHDFF-IBGZPJMESA-N 0 0 366.896 5.032 10 0 FKAERN CC[C@@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)c1cccc(Cl)c1 ZINC000188609921 567988207 /nfs/dbraw/zinc/98/82/07/567988207.db2.gz BGHHFUDHDSHDFF-LJQANCHMSA-N 0 0 366.896 5.032 10 0 FKAERN CC[C@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccc(Cl)s1 ZINC000188610364 567988469 /nfs/dbraw/zinc/98/84/69/567988469.db2.gz LUBCRNJKXISQRO-HNNXBMFYSA-N 0 0 372.925 5.093 10 0 FKAERN CC[C@@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccc(Cl)s1 ZINC000188610387 567988418 /nfs/dbraw/zinc/98/84/18/567988418.db2.gz LUBCRNJKXISQRO-OAHLLOKOSA-N 0 0 372.925 5.093 10 0 FKAERN Cc1cc(N[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nn1-c1ccc(C)cc1 ZINC000188654990 568050133 /nfs/dbraw/zinc/05/01/33/568050133.db2.gz JHGGEGLWQQJYNK-QGZVFWFLSA-N 0 0 373.460 5.021 10 0 FKAERN Cc1cc(N[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nn1-c1ccc(C)cc1 ZINC000188655008 568050170 /nfs/dbraw/zinc/05/01/70/568050170.db2.gz JHGGEGLWQQJYNK-KRWDZBQOSA-N 0 0 373.460 5.021 10 0 FKAERN O=c1[nH]c2ccccc2nc1-c1cc(Cl)c(Cl)c(Cl)c1Cl ZINC000196259374 209619127 /nfs/dbraw/zinc/61/91/27/209619127.db2.gz LVIROIBARQWYMA-UHFFFAOYSA-N 0 0 360.027 5.204 10 0 FKAERN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000196739849 209619676 /nfs/dbraw/zinc/61/96/76/209619676.db2.gz HBPWDJGJYVIOKT-UHFFFAOYSA-N 0 0 369.342 5.189 10 0 FKAERN CN(C)c1ccc(-c2cnc3c(ccn3[Si](C)(C)C(C)(C)C)c2)cc1 ZINC000200204858 206335445 /nfs/dbraw/zinc/33/54/45/206335445.db2.gz PETYJOKHQQXRNK-UHFFFAOYSA-N 0 0 351.570 5.623 10 0 FKAERN O=C(NCc1ccc(Cl)c(-c2ccccc2)c1)c1cc(Cl)ccc1O ZINC000201357664 206336250 /nfs/dbraw/zinc/33/62/50/206336250.db2.gz BUTBCUQMVFQSIC-UHFFFAOYSA-N 0 0 372.251 5.296 10 0 FKAERN COC(=O)c1cc2ccnc(Nc3ccc(-c4ccccc4)cc3)c2s1 ZINC000202090373 206335034 /nfs/dbraw/zinc/33/50/34/206335034.db2.gz NZVJPRMSOBOEEA-UHFFFAOYSA-N 0 0 360.438 5.494 10 0 FKAERN COC(=O)CCCc1ccnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C ZINC000204227222 206334897 /nfs/dbraw/zinc/33/48/97/206334897.db2.gz XZDWPBYRPOUMNV-UHFFFAOYSA-N 0 0 374.601 5.556 10 0 FKAERN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccccc1Br ZINC000205367387 570936010 /nfs/dbraw/zinc/93/60/10/570936010.db2.gz RGUZUHJIFUHCKH-UHFFFAOYSA-N 0 0 372.259 5.126 10 0 FKAERN Clc1cc(Sc2nc3cc(Cl)c(Cl)cc3[nH]2)nc(Cl)n1 ZINC000211637800 206339702 /nfs/dbraw/zinc/33/97/02/206339702.db2.gz SSUPKTJMSPAEHG-UHFFFAOYSA-N 0 0 366.060 5.118 10 0 FKAERN COc1ccc(Cc2c[nH]c(-c3c(Cl)cccc3Cl)n2)cc1F ZINC000211930312 206340582 /nfs/dbraw/zinc/34/05/82/206340582.db2.gz ZYZWTKIETVQMJN-UHFFFAOYSA-N 0 0 351.208 5.122 10 0 FKAERN CCC[C@H](c1ccc(C(=O)OC(C)(C)C)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000214936474 521196759 /nfs/dbraw/zinc/19/67/59/521196759.db2.gz CGBLABISJYPMHT-WOJBJXKFSA-N 0 0 374.908 5.913 10 0 FKAERN Cn1c(=S)c(/C=C\c2ccc(Br)cc2)nc2ccccc21 ZINC000216062045 206354501 /nfs/dbraw/zinc/35/45/01/206354501.db2.gz PKDZNMQOOUWLBS-FLIBITNWSA-N 0 0 357.276 5.236 10 0 FKAERN Cc1sc(-c2n[nH]c3ccccc32)nc1-c1cccc(Br)c1 ZINC000216062635 206354711 /nfs/dbraw/zinc/35/47/11/206354711.db2.gz NNLINQPLNDHQDY-UHFFFAOYSA-N 0 0 370.275 5.424 10 0 FKAERN FC(F)(F)c1cc(-c2cccc3ccccc32)nc(Br)n1 ZINC000217028159 222669691 /nfs/dbraw/zinc/66/96/91/222669691.db2.gz JDOJWPOFHXYUHV-UHFFFAOYSA-N 0 0 353.141 5.078 10 0 FKAERN FC(F)(F)c1cc(-c2ccc(Cl)cc2Cl)nc(-c2ccccc2)n1 ZINC000217032769 206362927 /nfs/dbraw/zinc/36/29/27/206362927.db2.gz GEZNZWKHNPIQPI-UHFFFAOYSA-N 0 0 369.173 6.136 10 0 FKAERN FC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc(-c2ccccc2)n1 ZINC000217032824 222669814 /nfs/dbraw/zinc/66/98/14/222669814.db2.gz RQOUNWBXZKVZHF-UHFFFAOYSA-N 0 0 369.173 6.136 10 0 FKAERN O=C(OCc1ccccc1)c1ccc2cccnc2c1OCc1ccccc1 ZINC000221250759 206405109 /nfs/dbraw/zinc/40/51/09/206405109.db2.gz KHRZTUDKDVGMDA-UHFFFAOYSA-N 0 0 369.420 5.171 10 0 FKAERN Cc1ccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1Cl ZINC000224290286 571198616 /nfs/dbraw/zinc/19/86/16/571198616.db2.gz YNRQWLCVPYGNNY-UHFFFAOYSA-N 0 0 372.787 5.014 10 0 FKAERN O=C(Nc1ccc2ccccc2c1)Nc1cnc(Oc2ccccc2F)nc1 ZINC000224290478 571198753 /nfs/dbraw/zinc/19/87/53/571198753.db2.gz UBORRGJUXAPJII-UHFFFAOYSA-N 0 0 374.375 5.205 10 0 FKAERN Cc1ccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)c(Cl)c1 ZINC000224291853 222811142 /nfs/dbraw/zinc/81/11/42/222811142.db2.gz OEKHLQSGPPXMNR-UHFFFAOYSA-N 0 0 372.787 5.014 10 0 FKAERN O=S(=O)(Oc1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000225701441 570609903 /nfs/dbraw/zinc/60/99/03/570609903.db2.gz LGPQGVBPWOVECD-UHFFFAOYSA-N 0 0 372.056 5.068 10 0 FKAERN Clc1cc2nc(C(c3ccccc3)c3ccccc3)oc2c(Cl)c1 ZINC000226236574 206119166 /nfs/dbraw/zinc/11/91/66/206119166.db2.gz JDHBTFUWEQIASE-UHFFFAOYSA-N 0 0 354.236 6.315 10 0 FKAERN c1ccc(-c2ccc3oc(C(c4ccccc4)c4ccccc4)nc3c2)cc1 ZINC000226236592 209365584 /nfs/dbraw/zinc/36/55/84/209365584.db2.gz AJPHEAZCGLBOOG-UHFFFAOYSA-N 0 0 361.444 6.675 10 0 FKAERN CCOC(=O)c1ccc2[nH]c(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000226236853 206119847 /nfs/dbraw/zinc/11/98/47/206119847.db2.gz CUQHYMPBPLZGSI-UHFFFAOYSA-N 0 0 350.805 5.213 10 0 FKAERN Cc1cc2nc(-c3ccc(I)c(C)c3)oc2c(C)c1 ZINC000226239469 571275968 /nfs/dbraw/zinc/27/59/68/571275968.db2.gz JDDKYFWWURJPEP-UHFFFAOYSA-N 0 0 363.198 5.025 10 0 FKAERN Cc1cc2nc(-c3ccc(I)c(C)c3)oc2cc1C ZINC000226239482 571275985 /nfs/dbraw/zinc/27/59/85/571275985.db2.gz CEHKKZDZQGSOPQ-UHFFFAOYSA-N 0 0 363.198 5.025 10 0 FKAERN Cc1cc(-c2nc3cc(Cl)ccc3o2)ccc1I ZINC000226239515 571275876 /nfs/dbraw/zinc/27/58/76/571275876.db2.gz XGQBTBPBLNBFAT-UHFFFAOYSA-N 0 0 369.589 5.061 10 0 FKAERN Cc1cccc(NCc2ccc(-c3ccc(Br)cc3)o2)c1C ZINC000226239873 571276088 /nfs/dbraw/zinc/27/60/88/571276088.db2.gz ZDDYAXFKCRRWMU-UHFFFAOYSA-N 0 0 356.263 5.938 10 0 FKAERN Cc1ccc(NCc2ccc(-c3ccc(Br)cc3)o2)c(C)c1 ZINC000226239898 210176896 /nfs/dbraw/zinc/17/68/96/210176896.db2.gz RCOVTUKOMSBGDK-UHFFFAOYSA-N 0 0 356.263 5.938 10 0 FKAERN Cc1ccc(C)c(NCc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000226239908 210178163 /nfs/dbraw/zinc/17/81/63/210178163.db2.gz ZDBIIFWIUPSLFR-UHFFFAOYSA-N 0 0 356.263 5.938 10 0 FKAERN Cc1cc(C)cc(NCc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000226239945 571276092 /nfs/dbraw/zinc/27/60/92/571276092.db2.gz QMNRZOXLTSFSDM-UHFFFAOYSA-N 0 0 356.263 5.938 10 0 FKAERN CC(C)c1ccc(NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000226239978 571276067 /nfs/dbraw/zinc/27/60/67/571276067.db2.gz CNGPZHCQLWBXJP-UHFFFAOYSA-N 0 0 370.290 6.445 10 0 FKAERN CCc1ccc(NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000226239990 571276080 /nfs/dbraw/zinc/27/60/80/571276080.db2.gz XVYPFQHPOKMQDI-UHFFFAOYSA-N 0 0 356.263 5.884 10 0 FKAERN CC(C)c1ccccc1NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000226240075 571276069 /nfs/dbraw/zinc/27/60/69/571276069.db2.gz PCWLZBGVUCFESR-UHFFFAOYSA-N 0 0 370.290 6.445 10 0 FKAERN CCc1ccccc1NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000226240084 571276089 /nfs/dbraw/zinc/27/60/89/571276089.db2.gz NPSDDBDKOREGKL-UHFFFAOYSA-N 0 0 356.263 5.884 10 0 FKAERN Clc1ccc(-c2ccc(CNc3ccccc3N3CCOCC3)o2)cc1 ZINC000226240311 132287922 /nfs/dbraw/zinc/28/79/22/132287922.db2.gz BTKKQGKBIFIMIT-UHFFFAOYSA-N 0 0 368.864 5.049 10 0 FKAERN Clc1ccc(CNc2cc(Cl)ccc2N2CCOCC2)c(Cl)c1 ZINC000226240449 132374541 /nfs/dbraw/zinc/37/45/41/132374541.db2.gz JDNUKIVZASKUBN-UHFFFAOYSA-N 0 0 371.695 5.096 10 0 FKAERN Clc1ccc(CNc2cccc(Cl)c2N2CCOCC2)c(Cl)c1 ZINC000226240464 132374609 /nfs/dbraw/zinc/37/46/09/132374609.db2.gz DOTLXMFJXJLYJE-UHFFFAOYSA-N 0 0 371.695 5.096 10 0 FKAERN Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1O ZINC000226242572 209365846 /nfs/dbraw/zinc/36/58/46/209365846.db2.gz BKAOEHQGWNYOSA-UHFFFAOYSA-N 0 0 362.267 5.013 10 0 FKAERN CCOC(=O)c1ccc(-c2cc(Cl)c(Br)cc2Cl)o1 ZINC000226244382 210177435 /nfs/dbraw/zinc/17/74/35/210177435.db2.gz HCNHCQHFYWRENT-UHFFFAOYSA-N 0 0 364.022 5.193 10 0 FKAERN Cc1cc(-n2cccc2)cc2nc(-c3ccc(-c4ccccc4)cc3)oc21 ZINC000226246531 571276086 /nfs/dbraw/zinc/27/60/86/571276086.db2.gz ICBZOLLUAJUFGN-UHFFFAOYSA-N 0 0 350.421 6.261 10 0 FKAERN Cc1cc(-n2cccc2)cc2nc(Cc3ccc(Br)cc3)oc21 ZINC000226246635 571276063 /nfs/dbraw/zinc/27/60/63/571276063.db2.gz CCYUBNBXTPDZEZ-UHFFFAOYSA-N 0 0 367.246 5.280 10 0 FKAERN c1ccn(-c2ccc3oc(C(c4ccccc4)c4ccccc4)nc3c2)c1 ZINC000226246660 571276081 /nfs/dbraw/zinc/27/60/81/571276081.db2.gz KGUOBJXJZCIBKZ-UHFFFAOYSA-N 0 0 350.421 5.799 10 0 FKAERN Cc1cc(-n2cccc2)cc2nc(C(c3ccccc3)c3ccccc3)oc21 ZINC000226246674 210177186 /nfs/dbraw/zinc/17/71/86/210177186.db2.gz AHMRIVWWNSZCRM-UHFFFAOYSA-N 0 0 364.448 6.107 10 0 FKAERN Cc1cc(-n2cccc2)cc2nc(-c3cccc4c(Cl)cccc34)oc21 ZINC000226246737 571276101 /nfs/dbraw/zinc/27/61/01/571276101.db2.gz WZYWCHQEJUIIAV-UHFFFAOYSA-N 0 0 358.828 6.401 10 0 FKAERN COc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)cc1Br ZINC000226246946 571276073 /nfs/dbraw/zinc/27/60/73/571276073.db2.gz DCDXOFPRZBBDKT-UHFFFAOYSA-N 0 0 369.218 5.057 10 0 FKAERN COc1c(Cl)cc(-c2nc3cc(-n4cccc4)ccc3o2)cc1Cl ZINC000226246956 571276056 /nfs/dbraw/zinc/27/60/56/571276056.db2.gz ZQLQWRBBWVLNCK-UHFFFAOYSA-N 0 0 359.212 5.601 10 0 FKAERN COc1c(Cl)cc(-c2nc3cc(-n4cccc4)cc(C)c3o2)cc1Cl ZINC000226246969 571276090 /nfs/dbraw/zinc/27/60/90/571276090.db2.gz PZMDBIZYIBVODM-UHFFFAOYSA-N 0 0 373.239 5.909 10 0 FKAERN Cc1cc(-n2cccc2)cc2nc(-c3ccccc3Br)oc21 ZINC000226247097 571276102 /nfs/dbraw/zinc/27/61/02/571276102.db2.gz GFWGBYKLRZBZKW-UHFFFAOYSA-N 0 0 353.219 5.356 10 0 FKAERN Cc1cc(-n2cccc2)cc2nc(-c3cccc(Br)c3)oc21 ZINC000226247129 203880400 /nfs/dbraw/zinc/88/04/00/203880400.db2.gz IJVQJYMXQARPKX-UHFFFAOYSA-N 0 0 353.219 5.356 10 0 FKAERN Cc1cc(-n2cccc2)cc2nc(-c3ccc(Br)cc3)oc21 ZINC000226247589 571276031 /nfs/dbraw/zinc/27/60/31/571276031.db2.gz USPYYENREPQZNW-UHFFFAOYSA-N 0 0 353.219 5.356 10 0 FKAERN Clc1ccc(Br)cc1-c1nc2cc(-n3cccc3)ccc2o1 ZINC000226247998 571276085 /nfs/dbraw/zinc/27/60/85/571276085.db2.gz VZESQTWGBHBKBX-UHFFFAOYSA-N 0 0 373.637 5.701 10 0 FKAERN Cc1cc(-c2nc3cc(-n4cccc4)ccc3o2)ccc1Br ZINC000226248117 206761751 /nfs/dbraw/zinc/76/17/51/206761751.db2.gz PHKZQXBPQYVQRT-UHFFFAOYSA-N 0 0 353.219 5.356 10 0 FKAERN Cc1cc(-n2cccc2)cc2nc(-c3ccc(Br)c(C)c3)oc21 ZINC000226248128 571276019 /nfs/dbraw/zinc/27/60/19/571276019.db2.gz UIZBPGVXDUJKPA-UHFFFAOYSA-N 0 0 367.246 5.665 10 0 FKAERN Cc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)cc1Br ZINC000226248197 210177822 /nfs/dbraw/zinc/17/78/22/210177822.db2.gz MOGYGXVMOAZUBX-UHFFFAOYSA-N 0 0 353.219 5.356 10 0 FKAERN Cc1cc(-n2cccc2)cc2nc(-c3ccc(C)c(Br)c3)oc21 ZINC000226248203 571276091 /nfs/dbraw/zinc/27/60/91/571276091.db2.gz SLZXAAAWROVNAZ-UHFFFAOYSA-N 0 0 367.246 5.665 10 0 FKAERN Cc1cc(-n2cccc2)cc2nc(-c3cccc(Br)c3C)oc21 ZINC000226248416 571276027 /nfs/dbraw/zinc/27/60/27/571276027.db2.gz GCXRYCDAQWXCJF-UHFFFAOYSA-N 0 0 367.246 5.665 10 0 FKAERN Clc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)cc1Br ZINC000226248472 571276093 /nfs/dbraw/zinc/27/60/93/571276093.db2.gz KJPNQAPDFQHSKI-UHFFFAOYSA-N 0 0 373.637 5.701 10 0 FKAERN Clc1cc(Br)ccc1-c1nc2cc(-n3cccc3)ccc2o1 ZINC000226248547 210176625 /nfs/dbraw/zinc/17/66/25/210176625.db2.gz PGOFDHKITKZOED-UHFFFAOYSA-N 0 0 373.637 5.701 10 0 FKAERN Cc1cc(-n2cccc2)cc2nc(-c3c(F)c(F)c(F)c(F)c3F)oc21 ZINC000226248586 571276074 /nfs/dbraw/zinc/27/60/74/571276074.db2.gz ZMLSDCPXMZVSNI-UHFFFAOYSA-N 0 0 364.273 5.289 10 0 FKAERN COc1c(Cl)cc(-c2nc3ccc(-n4cccc4)cc3o2)cc1Cl ZINC000226249077 571276094 /nfs/dbraw/zinc/27/60/94/571276094.db2.gz WJGTZRJNPYWQBB-UHFFFAOYSA-N 0 0 359.212 5.601 10 0 FKAERN COc1ccc(-c2nc3ccc(-n4cccc4)cc3o2)cc1Br ZINC000226249090 206120558 /nfs/dbraw/zinc/12/05/58/206120558.db2.gz YMDAYTOUPZUFES-UHFFFAOYSA-N 0 0 369.218 5.057 10 0 FKAERN Cc1cc2nc(C3=CCN(Cc4ccc(Cl)cc4)CC3)oc2cc1C ZINC000226251280 210178087 /nfs/dbraw/zinc/17/80/87/210178087.db2.gz SRVLWDKVNYTCSY-UHFFFAOYSA-N 0 0 352.865 5.387 10 0 FKAERN Cc1cc2nc(C3=CCN(Cc4ccc(Cl)cc4)CC3)oc2c(C)c1 ZINC000226251294 571276195 /nfs/dbraw/zinc/27/61/95/571276195.db2.gz IJMVJHWSLFGKNX-UHFFFAOYSA-N 0 0 352.865 5.387 10 0 FKAERN C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cccc2ccccc21 ZINC000226253886 132249841 /nfs/dbraw/zinc/24/98/41/132249841.db2.gz FIEFVZULTMBAQN-MRXNPFEDSA-N 0 0 359.473 5.053 10 0 FKAERN C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cccc2ccccc21 ZINC000226253895 132249883 /nfs/dbraw/zinc/24/98/83/132249883.db2.gz FIEFVZULTMBAQN-INIZCTEOSA-N 0 0 359.473 5.053 10 0 FKAERN CC1CCN(c2ccc(N)cc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000226254346 132249927 /nfs/dbraw/zinc/24/99/27/132249927.db2.gz PTHCOQOHEDKEGW-UHFFFAOYSA-N 0 0 365.521 5.055 10 0 FKAERN C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000226254453 132250591 /nfs/dbraw/zinc/25/05/91/132250591.db2.gz FNNYPXVZOJWSPV-MRXNPFEDSA-N 0 0 365.521 5.197 10 0 FKAERN C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000226254462 132250529 /nfs/dbraw/zinc/25/05/29/132250529.db2.gz FNNYPXVZOJWSPV-INIZCTEOSA-N 0 0 365.521 5.197 10 0 FKAERN CC(C)c1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)cc1 ZINC000226254477 132250502 /nfs/dbraw/zinc/25/05/02/132250502.db2.gz FUPAFJFQIHPONJ-INIZCTEOSA-N 0 0 351.494 5.023 10 0 FKAERN CC(C)c1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1 ZINC000226254489 132250275 /nfs/dbraw/zinc/25/02/75/132250275.db2.gz FUPAFJFQIHPONJ-MRXNPFEDSA-N 0 0 351.494 5.023 10 0 FKAERN Nc1ccc(N2CCCCC2)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000226254550 132250462 /nfs/dbraw/zinc/25/04/62/132250462.db2.gz RXDBSBLCBBFQKV-UHFFFAOYSA-N 0 0 371.484 5.178 10 0 FKAERN CCN(CC)c1ccc(N)cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000226260736 210177049 /nfs/dbraw/zinc/17/70/49/210177049.db2.gz CZKNSQYQAIZNBS-UHFFFAOYSA-N 0 0 359.473 5.034 10 0 FKAERN C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccc3ccccc32)cc1N ZINC000226263198 132374780 /nfs/dbraw/zinc/37/47/80/132374780.db2.gz FJXKUQHOVLHRDF-MRXNPFEDSA-N 0 0 359.473 5.053 10 0 FKAERN C[C@H]1CCCCN1c1ccc(NC(=O)c2cccc3ccccc32)cc1N ZINC000226263207 132374784 /nfs/dbraw/zinc/37/47/84/132374784.db2.gz FJXKUQHOVLHRDF-INIZCTEOSA-N 0 0 359.473 5.053 10 0 FKAERN CC1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2N)CC1 ZINC000226265840 132374868 /nfs/dbraw/zinc/37/48/68/132374868.db2.gz YHGYQYIXSSJISF-UHFFFAOYSA-N 0 0 365.521 5.055 10 0 FKAERN C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N ZINC000226265982 132374836 /nfs/dbraw/zinc/37/48/36/132374836.db2.gz IUYRMMFVGHYLSM-MRXNPFEDSA-N 0 0 365.521 5.197 10 0 FKAERN C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N ZINC000226265991 132374934 /nfs/dbraw/zinc/37/49/34/132374934.db2.gz IUYRMMFVGHYLSM-INIZCTEOSA-N 0 0 365.521 5.197 10 0 FKAERN CC(C)c1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)cc1 ZINC000226266006 132374921 /nfs/dbraw/zinc/37/49/21/132374921.db2.gz CMAGJRVIVDFFQE-INIZCTEOSA-N 0 0 351.494 5.023 10 0 FKAERN CC(C)c1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)cc1 ZINC000226266016 132374897 /nfs/dbraw/zinc/37/48/97/132374897.db2.gz CMAGJRVIVDFFQE-MRXNPFEDSA-N 0 0 351.494 5.023 10 0 FKAERN CN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 ZINC000226269237 571276234 /nfs/dbraw/zinc/27/62/34/571276234.db2.gz IOTNIFDIKWUXEA-UHFFFAOYSA-N 0 0 370.330 5.173 10 0 FKAERN CN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000226269252 210176228 /nfs/dbraw/zinc/17/62/28/210176228.db2.gz QFDQDRALCOXWFQ-UHFFFAOYSA-N 0 0 370.330 5.173 10 0 FKAERN CC(C)c1ccc(-c2nc3cc(N(C)C(=O)C(F)(F)F)ccc3o2)cc1 ZINC000226269329 210176430 /nfs/dbraw/zinc/17/64/30/210176430.db2.gz XERQHPWBOJKRKL-UHFFFAOYSA-N 0 0 362.351 5.143 10 0 FKAERN Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3ccc(C(C)C)cc3)oc21 ZINC000226269449 210177076 /nfs/dbraw/zinc/17/70/76/210177076.db2.gz PLXXKDWYDQCOIX-UHFFFAOYSA-N 0 0 362.351 5.427 10 0 FKAERN Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3cccc4ccccc43)oc21 ZINC000226269475 571276166 /nfs/dbraw/zinc/27/61/66/571276166.db2.gz GUTGKVZGAYGAHA-UHFFFAOYSA-N 0 0 370.330 5.457 10 0 FKAERN Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3ccc4ccccc4c3)oc21 ZINC000226269519 571276221 /nfs/dbraw/zinc/27/62/21/571276221.db2.gz DZRNMADLEAMICB-UHFFFAOYSA-N 0 0 370.330 5.457 10 0 FKAERN O=C(Nc1ccc2nc(-c3cccc4ccccc43)oc2c1)C(F)(F)F ZINC000226269733 571276164 /nfs/dbraw/zinc/27/61/64/571276164.db2.gz UMLNUPVSYHFHFI-UHFFFAOYSA-N 0 0 356.303 5.149 10 0 FKAERN O=C(Nc1ccc2nc(-c3ccc4ccccc4c3)oc2c1)C(F)(F)F ZINC000226269777 571276202 /nfs/dbraw/zinc/27/62/02/571276202.db2.gz OYGVGYBFHKRHHT-UHFFFAOYSA-N 0 0 356.303 5.149 10 0 FKAERN CN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccc4ccccc4c3)oc2c1 ZINC000226269792 210177259 /nfs/dbraw/zinc/17/72/59/210177259.db2.gz IUPVCDFZUKSQQP-UHFFFAOYSA-N 0 0 370.330 5.173 10 0 FKAERN CN(C(=O)C(F)(F)F)c1ccc2nc(-c3cccc4ccccc43)oc2c1 ZINC000226269806 571276194 /nfs/dbraw/zinc/27/61/94/571276194.db2.gz AZLWHYDBXLPOHW-UHFFFAOYSA-N 0 0 370.330 5.173 10 0 FKAERN CC(C)c1ccc(-c2nc3ccc(N(C)C(=O)C(F)(F)F)cc3o2)cc1 ZINC000226269899 571276180 /nfs/dbraw/zinc/27/61/80/571276180.db2.gz NKSIHQKCFWKKHS-UHFFFAOYSA-N 0 0 362.351 5.143 10 0 FKAERN Cc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)cc(C)c3o2)c(Cl)c1 ZINC000226271597 571276222 /nfs/dbraw/zinc/27/62/22/571276222.db2.gz HUSNHQALFFPSNP-UHFFFAOYSA-N 0 0 368.742 5.266 10 0 FKAERN Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3ccc(C)c(Cl)c3)oc21 ZINC000226271652 571276228 /nfs/dbraw/zinc/27/62/28/571276228.db2.gz FIHZJALQYOGFBY-UHFFFAOYSA-N 0 0 368.742 5.266 10 0 FKAERN CC(C)c1ccc2oc(-c3cccc(N(C)C(=O)C(F)(F)F)c3)nc2c1 ZINC000226280979 571276313 /nfs/dbraw/zinc/27/63/13/571276313.db2.gz UERCTILLIDAYLD-UHFFFAOYSA-N 0 0 362.351 5.143 10 0 FKAERN CC(C)c1ccc2oc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)nc2c1 ZINC000226281139 571276350 /nfs/dbraw/zinc/27/63/50/571276350.db2.gz KAVNKHZKDNJMRU-UHFFFAOYSA-N 0 0 362.351 5.143 10 0 FKAERN CCN(C(=O)C(F)(F)F)c1cc2nc(-c3ccccc3C)oc2c(C)c1 ZINC000226281992 571276348 /nfs/dbraw/zinc/27/63/48/571276348.db2.gz JNWDBTGESMJOFH-UHFFFAOYSA-N 0 0 362.351 5.027 10 0 FKAERN CCN(C(=O)C(F)(F)F)c1cc2nc(-c3cccc(C)c3)oc2c(C)c1 ZINC000226282000 571276304 /nfs/dbraw/zinc/27/63/04/571276304.db2.gz REWKUKMSKIGTDM-UHFFFAOYSA-N 0 0 362.351 5.027 10 0 FKAERN CCN(C(=O)C(F)(F)F)c1cc2nc(-c3ccc(C)cc3)oc2c(C)c1 ZINC000226282027 571276338 /nfs/dbraw/zinc/27/63/38/571276338.db2.gz FYRGJDVHFHRZQU-UHFFFAOYSA-N 0 0 362.351 5.027 10 0 FKAERN CCNc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 ZINC000226282183 571276277 /nfs/dbraw/zinc/27/62/77/571276277.db2.gz PHPOYXHHMXPRNM-UHFFFAOYSA-N 0 0 367.246 5.842 10 0 FKAERN CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000226282449 571276265 /nfs/dbraw/zinc/27/62/65/571276265.db2.gz YWJANFPWKLWOCC-UHFFFAOYSA-N 0 0 368.742 5.063 10 0 FKAERN CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000226282481 571276258 /nfs/dbraw/zinc/27/62/58/571276258.db2.gz ODFJSDTXMFHETG-UHFFFAOYSA-N 0 0 368.742 5.063 10 0 FKAERN CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000226282793 571276327 /nfs/dbraw/zinc/27/63/27/571276327.db2.gz GDPOGIVBIYCIPL-UHFFFAOYSA-N 0 0 368.742 5.063 10 0 FKAERN CCNc1cc2nc(-c3ccc(OC)c(Br)c3)oc2c(C)c1 ZINC000226283673 571276341 /nfs/dbraw/zinc/27/63/41/571276341.db2.gz FMDGOTDXXYTJDB-UHFFFAOYSA-N 0 0 361.239 5.006 10 0 FKAERN CCNc1cc2nc(-c3cc(Cl)c(OC)c(Cl)c3)oc2c(C)c1 ZINC000226283702 210177095 /nfs/dbraw/zinc/17/70/95/210177095.db2.gz XFWWNDZBMKTTCA-UHFFFAOYSA-N 0 0 351.233 5.550 10 0 FKAERN CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccccc3Cl)oc2c1 ZINC000226283867 571276263 /nfs/dbraw/zinc/27/62/63/571276263.db2.gz CKXIDBQIYHEAPI-UHFFFAOYSA-N 0 0 368.742 5.063 10 0 FKAERN CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3cccc(Cl)c3)oc2c1 ZINC000226283890 206761651 /nfs/dbraw/zinc/76/16/51/206761651.db2.gz FYWHXYUCRKDQTL-UHFFFAOYSA-N 0 0 368.742 5.063 10 0 FKAERN CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccc(Cl)cc3)oc2c1 ZINC000226283916 571276325 /nfs/dbraw/zinc/27/63/25/571276325.db2.gz FHFDSXCHZGEEDR-UHFFFAOYSA-N 0 0 368.742 5.063 10 0 FKAERN CCNc1ccc2nc(-c3cccc4c(Br)cccc34)oc2c1 ZINC000226284209 571276276 /nfs/dbraw/zinc/27/62/76/571276276.db2.gz HFIQQZQCVSJUEA-UHFFFAOYSA-N 0 0 367.246 5.842 10 0 FKAERN CCN(C(=O)C(F)(F)F)c1cccc(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000226284525 571276267 /nfs/dbraw/zinc/27/62/67/571276267.db2.gz WSAFSEWNMYVRKY-UHFFFAOYSA-N 0 0 362.351 5.027 10 0 FKAERN CCN(C(=O)C(F)(F)F)c1cccc(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000226284536 571276260 /nfs/dbraw/zinc/27/62/60/571276260.db2.gz XVIZWRRQDSVUBM-UHFFFAOYSA-N 0 0 362.351 5.027 10 0 FKAERN CCN(C(=O)C(F)(F)F)c1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000226284558 210176986 /nfs/dbraw/zinc/17/69/86/210176986.db2.gz MSRKJTHUONXUOW-UHFFFAOYSA-N 0 0 368.742 5.063 10 0 FKAERN CCN(C(=O)C(F)(F)F)c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000226284626 571276339 /nfs/dbraw/zinc/27/63/39/571276339.db2.gz SPRIVYZSAPHJDR-UHFFFAOYSA-N 0 0 368.742 5.063 10 0 FKAERN CCN(C(=O)C(F)(F)F)c1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 ZINC000226284675 571276307 /nfs/dbraw/zinc/27/63/07/571276307.db2.gz PBXMEUAWXQIKER-UHFFFAOYSA-N 0 0 362.351 5.027 10 0 FKAERN CCN(C(=O)C(F)(F)F)c1ccc(-c2nc3cc(C)cc(C)c3o2)cc1 ZINC000226284685 206761558 /nfs/dbraw/zinc/76/15/58/206761558.db2.gz ADLDOTUXVPOHPV-UHFFFAOYSA-N 0 0 362.351 5.027 10 0 FKAERN CC(C)c1ccc(-c2nc3cc(N4Cc5ccccc5C4=O)ccc3o2)cc1 ZINC000226286092 571276365 /nfs/dbraw/zinc/27/63/65/571276365.db2.gz YGMAEBKNHVTNTF-UHFFFAOYSA-N 0 0 368.436 5.779 10 0 FKAERN CCc1ccc(-c2nc3cc(N4Cc5ccccc5C4=O)ccc3o2)cc1 ZINC000226286102 210176647 /nfs/dbraw/zinc/17/66/47/210176647.db2.gz JRYDLCVFYJHTSO-UHFFFAOYSA-N 0 0 354.409 5.218 10 0 FKAERN Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3ccccc3C)oc21 ZINC000226286221 210177923 /nfs/dbraw/zinc/17/79/23/210177923.db2.gz ZJTCUTFOHYZCIM-UHFFFAOYSA-N 0 0 354.409 5.272 10 0 FKAERN Cc1cccc(-c2nc3cc(N4Cc5ccccc5C4=O)cc(C)c3o2)c1 ZINC000226286231 571276385 /nfs/dbraw/zinc/27/63/85/571276385.db2.gz MYGQXZNLTGFVJB-UHFFFAOYSA-N 0 0 354.409 5.272 10 0 FKAERN Cc1ccc(-c2nc3cc(N4Cc5ccccc5C4=O)cc(C)c3o2)cc1 ZINC000226286239 571276397 /nfs/dbraw/zinc/27/63/97/571276397.db2.gz VUJCLEWRXWZGJK-UHFFFAOYSA-N 0 0 354.409 5.272 10 0 FKAERN CCc1ccc(-c2nc3cc(N4Cc5ccccc5C4=O)cc(C)c3o2)cc1 ZINC000226286268 571276454 /nfs/dbraw/zinc/27/64/54/571276454.db2.gz MPFYRNIVSHGVBP-UHFFFAOYSA-N 0 0 368.436 5.526 10 0 FKAERN Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3ccccc3Cl)oc21 ZINC000226286287 571276373 /nfs/dbraw/zinc/27/63/73/571276373.db2.gz JYPCPRTXFWCKIU-UHFFFAOYSA-N 0 0 374.827 5.617 10 0 FKAERN O=C1c2ccccc2CN1c1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000226286295 210177589 /nfs/dbraw/zinc/17/75/89/210177589.db2.gz GOYNSNAXSXAXKK-UHFFFAOYSA-N 0 0 360.800 5.309 10 0 FKAERN Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3ccccc3F)oc21 ZINC000226286313 210177904 /nfs/dbraw/zinc/17/79/04/210177904.db2.gz KKOPKETZVXGATH-UHFFFAOYSA-N 0 0 358.372 5.103 10 0 FKAERN Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3cccc(Cl)c3)oc21 ZINC000226286367 571276391 /nfs/dbraw/zinc/27/63/91/571276391.db2.gz RUDFYUQEZYAFAS-UHFFFAOYSA-N 0 0 374.827 5.617 10 0 FKAERN O=C1c2ccccc2CN1c1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000226286377 203880000 /nfs/dbraw/zinc/88/00/00/203880000.db2.gz ONUBLECKCGHJOP-UHFFFAOYSA-N 0 0 360.800 5.309 10 0 FKAERN Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3cccc(F)c3)oc21 ZINC000226286397 571276408 /nfs/dbraw/zinc/27/64/08/571276408.db2.gz NZYPOVLHFJPELD-UHFFFAOYSA-N 0 0 358.372 5.103 10 0 FKAERN Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3ccc(F)cc3)oc21 ZINC000226286406 210177296 /nfs/dbraw/zinc/17/72/96/210177296.db2.gz JLTYUHXVKQVNRY-UHFFFAOYSA-N 0 0 358.372 5.103 10 0 FKAERN O=C1c2ccccc2CN1c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000226286425 210177431 /nfs/dbraw/zinc/17/74/31/210177431.db2.gz DMHXDCLTGYEUEI-UHFFFAOYSA-N 0 0 360.800 5.309 10 0 FKAERN Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3ccc(Cl)cc3)oc21 ZINC000226286436 571276412 /nfs/dbraw/zinc/27/64/12/571276412.db2.gz RMANSOROBDYBCH-UHFFFAOYSA-N 0 0 374.827 5.617 10 0 FKAERN Cc1ccc(-c2nc3cc(N4Cc5ccccc5C4=O)ccc3o2)cc1Cl ZINC000226286467 571276459 /nfs/dbraw/zinc/27/64/59/571276459.db2.gz YNZCIYFVGQMWDY-UHFFFAOYSA-N 0 0 374.827 5.617 10 0 FKAERN CC(C)c1ccc(-c2nc3ccc(N4Cc5ccccc5C4=O)cc3o2)cc1 ZINC000226286877 222883257 /nfs/dbraw/zinc/88/32/57/222883257.db2.gz WAEQSVDPMOUCFC-UHFFFAOYSA-N 0 0 368.436 5.779 10 0 FKAERN CCc1ccc(-c2nc3ccc(N4Cc5ccccc5C4=O)cc3o2)cc1 ZINC000226286888 571276429 /nfs/dbraw/zinc/27/64/29/571276429.db2.gz PPJCWGGTBLPTGV-UHFFFAOYSA-N 0 0 354.409 5.218 10 0 FKAERN O=C1c2ccccc2CN1c1ccc2nc(-c3ccccc3Cl)oc2c1 ZINC000226286961 571276410 /nfs/dbraw/zinc/27/64/10/571276410.db2.gz VUAWDCMCBJKYLZ-UHFFFAOYSA-N 0 0 360.800 5.309 10 0 FKAERN O=C1c2ccccc2CN1c1ccc2nc(-c3cccc(Cl)c3)oc2c1 ZINC000226287015 210178026 /nfs/dbraw/zinc/17/80/26/210178026.db2.gz JJXMGKXOHPXFLQ-UHFFFAOYSA-N 0 0 360.800 5.309 10 0 FKAERN O=C1c2ccccc2CN1c1ccc2nc(-c3ccc(Cl)cc3)oc2c1 ZINC000226287024 210177177 /nfs/dbraw/zinc/17/71/77/210177177.db2.gz UPVJTQGQBSWBRB-UHFFFAOYSA-N 0 0 360.800 5.309 10 0 FKAERN Cc1ccc(-c2nc3ccc(N4Cc5ccccc5C4=O)cc3o2)cc1Cl ZINC000226287090 571276450 /nfs/dbraw/zinc/27/64/50/571276450.db2.gz OBOWVROTXPYZLL-UHFFFAOYSA-N 0 0 374.827 5.617 10 0 FKAERN CC(C)c1ccc2oc(-c3ccc(N4Cc5ccccc5C4=O)cc3)nc2c1 ZINC000226287208 571276436 /nfs/dbraw/zinc/27/64/36/571276436.db2.gz YKOQVAGEDMPRQU-UHFFFAOYSA-N 0 0 368.436 5.779 10 0 FKAERN CCc1ccc2oc(-c3ccc(N4Cc5ccccc5C4=O)cc3)nc2c1 ZINC000226287220 203879564 /nfs/dbraw/zinc/87/95/64/203879564.db2.gz KGUSOKUXRPAMBB-UHFFFAOYSA-N 0 0 354.409 5.218 10 0 FKAERN Cc1cc2nc(-c3ccc(N4Cc5ccccc5C4=O)cc3)oc2c(C)c1 ZINC000226287227 206119721 /nfs/dbraw/zinc/11/97/21/206119721.db2.gz QHQRBWWUBZRULH-UHFFFAOYSA-N 0 0 354.409 5.272 10 0 FKAERN Cc1cc2nc(-c3ccc(N4Cc5ccccc5C4=O)cc3)oc2cc1C ZINC000226287236 571276421 /nfs/dbraw/zinc/27/64/21/571276421.db2.gz KSGBRHJVULZOLH-UHFFFAOYSA-N 0 0 354.409 5.272 10 0 FKAERN O=C1c2ccccc2CN1c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000226287248 210177413 /nfs/dbraw/zinc/17/74/13/210177413.db2.gz OIMFHSAYAZOUGU-UHFFFAOYSA-N 0 0 360.800 5.309 10 0 FKAERN CC(C)c1ccc2oc(-c3cccc(N4Cc5ccccc5C4=O)c3)nc2c1 ZINC000226287299 571276461 /nfs/dbraw/zinc/27/64/61/571276461.db2.gz RPEMAGJRORIXNO-UHFFFAOYSA-N 0 0 368.436 5.779 10 0 FKAERN CCc1ccc2oc(-c3cccc(N4Cc5ccccc5C4=O)c3)nc2c1 ZINC000226287308 571276398 /nfs/dbraw/zinc/27/63/98/571276398.db2.gz TZNVGEFFYHIZNW-UHFFFAOYSA-N 0 0 354.409 5.218 10 0 FKAERN Cc1cc2nc(-c3cccc(N4Cc5ccccc5C4=O)c3)oc2cc1C ZINC000226287318 571276448 /nfs/dbraw/zinc/27/64/48/571276448.db2.gz KENWXSRKNQNERO-UHFFFAOYSA-N 0 0 354.409 5.272 10 0 FKAERN Cc1cc2nc(-c3cccc(N4Cc5ccccc5C4=O)c3)oc2c(C)c1 ZINC000226287327 222883389 /nfs/dbraw/zinc/88/33/89/222883389.db2.gz MWPRMQMODQGMAD-UHFFFAOYSA-N 0 0 354.409 5.272 10 0 FKAERN O=C1c2ccccc2CN1c1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000226287337 209365859 /nfs/dbraw/zinc/36/58/59/209365859.db2.gz RBSSUYHQVXFQKR-UHFFFAOYSA-N 0 0 360.800 5.309 10 0 FKAERN COc1cc(C=O)cc(CSC)c1OCc1ccc(Cl)cc1Cl ZINC000226288322 571276367 /nfs/dbraw/zinc/27/63/67/571276367.db2.gz GVWIBHBBZBYJHV-UHFFFAOYSA-N 0 0 371.285 5.257 10 0 FKAERN Cc1ccccc1COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 ZINC000226295108 263460349 /nfs/dbraw/zinc/46/03/49/263460349.db2.gz DAJUWZJGZGESEA-UHFFFAOYSA-N 0 0 357.453 6.506 10 0 FKAERN Cc1ccc(COc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1 ZINC000226295121 203880395 /nfs/dbraw/zinc/88/03/95/203880395.db2.gz BWKWSHDLMBIJFL-UHFFFAOYSA-N 0 0 357.453 6.506 10 0 FKAERN Cc1cc2nc(-c3ccc(OCc4ccccc4Cl)cc3)oc2cc1C ZINC000226295163 263460383 /nfs/dbraw/zinc/46/03/83/263460383.db2.gz XITMLIQDJLPYLU-UHFFFAOYSA-N 0 0 363.844 6.344 10 0 FKAERN Cc1cc2nc(-c3ccc(OCc4ccccc4Cl)cc3)oc2c(C)c1 ZINC000226295170 210178186 /nfs/dbraw/zinc/17/81/86/210178186.db2.gz QAJXOEGKRMTIOL-UHFFFAOYSA-N 0 0 363.844 6.344 10 0 FKAERN Clc1ccc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2c1 ZINC000226295322 210177267 /nfs/dbraw/zinc/17/72/67/210177267.db2.gz JETLFTIIUSWSJD-UHFFFAOYSA-N 0 0 370.235 6.381 10 0 FKAERN Clc1ccc(COc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 ZINC000226295339 206120811 /nfs/dbraw/zinc/12/08/11/206120811.db2.gz VNAGOQYTGVHQGC-UHFFFAOYSA-N 0 0 370.235 6.381 10 0 FKAERN O[C@@H](c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)oc1ccccc12 ZINC000226296456 210178220 /nfs/dbraw/zinc/17/82/20/210178220.db2.gz FNVLLNYFDBSCLM-VWLOTQADSA-N 0 0 350.417 6.335 10 0 FKAERN O[C@H](c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)oc1ccccc12 ZINC000226296462 263460345 /nfs/dbraw/zinc/46/03/45/263460345.db2.gz FNVLLNYFDBSCLM-RUZDIDTESA-N 0 0 350.417 6.335 10 0 FKAERN O=C(c1ccc2c(c1)oc1ccccc12)c1ccccc1Br ZINC000226296556 209365235 /nfs/dbraw/zinc/36/52/35/209365235.db2.gz YAEOXPSZJXJIEB-UHFFFAOYSA-N 0 0 351.199 5.580 10 0 FKAERN O[C@@H](c1ccc2c(c1)oc1ccccc12)c1cccc(Br)c1 ZINC000226296583 209366265 /nfs/dbraw/zinc/36/62/65/209366265.db2.gz UJBJNCHRMVVGTR-LJQANCHMSA-N 0 0 353.215 5.430 10 0 FKAERN O=C(c1ccc2c(c1)oc1ccccc12)c1cccc(Br)c1 ZINC000226296602 203879256 /nfs/dbraw/zinc/87/92/56/203879256.db2.gz WIUXVVUJUKSHJH-UHFFFAOYSA-N 0 0 351.199 5.580 10 0 FKAERN O[C@@H](c1ccc(Br)cc1)c1ccc2c(c1)oc1ccccc12 ZINC000226296723 210177573 /nfs/dbraw/zinc/17/75/73/210177573.db2.gz QTGFIORPDJULRH-IBGZPJMESA-N 0 0 353.215 5.430 10 0 FKAERN Cc1ccccc1Cc1nnc(SCc2ccc(Cl)cc2Cl)[nH]1 ZINC000226299413 209366136 /nfs/dbraw/zinc/36/61/36/209366136.db2.gz OSFKLUYXKZSTJM-UHFFFAOYSA-N 0 0 364.301 5.303 10 0 FKAERN Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3Cl)[nH]2)cc1 ZINC000226299456 206119458 /nfs/dbraw/zinc/11/94/58/206119458.db2.gz QUEJDCFUIDHYBC-UHFFFAOYSA-N 0 0 364.301 5.303 10 0 FKAERN CC(C)c1ccc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)cc1 ZINC000226299955 263460377 /nfs/dbraw/zinc/46/03/77/263460377.db2.gz NCQLZSWKTJPZNV-UHFFFAOYSA-N 0 0 368.893 5.220 10 0 FKAERN Ic1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000226300291 209365810 /nfs/dbraw/zinc/36/58/10/209365810.db2.gz WZFMUVCTKFDDOD-UHFFFAOYSA-N 0 0 371.177 5.253 10 0 FKAERN Clc1ccc(Br)cc1-c1nc2c(ccc3ccccc23)o1 ZINC000226300324 209366452 /nfs/dbraw/zinc/36/64/52/209366452.db2.gz FMDFVCXPCZPDME-UHFFFAOYSA-N 0 0 358.622 6.064 10 0 FKAERN Cc1cc(C)n(-c2nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3s2)n1 ZINC000226302950 263460341 /nfs/dbraw/zinc/46/03/41/263460341.db2.gz HGDDTQGAAHZSEK-UHFFFAOYSA-N 0 0 363.530 5.567 10 0 FKAERN CCN(C(=O)C(F)(F)F)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000226303003 209365403 /nfs/dbraw/zinc/36/54/03/209365403.db2.gz MXTPIJOHHULEDR-UHFFFAOYSA-N 0 0 351.412 5.070 10 0 FKAERN Cc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1N ZINC000226303252 206119160 /nfs/dbraw/zinc/11/91/60/206119160.db2.gz XPFZYDHXOYULAZ-UHFFFAOYSA-N 0 0 360.501 5.297 10 0 FKAERN Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1cccc(N)c1 ZINC000226303410 206120295 /nfs/dbraw/zinc/12/02/95/206120295.db2.gz KRQDBFYRUCMVAK-UHFFFAOYSA-N 0 0 360.501 5.297 10 0 FKAERN Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1cccc(N)c1C ZINC000226303465 206119405 /nfs/dbraw/zinc/11/94/05/206119405.db2.gz KYWPFIMEVVAHAA-UHFFFAOYSA-N 0 0 374.528 5.606 10 0 FKAERN Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)Cc1ccccc1 ZINC000226303504 206119281 /nfs/dbraw/zinc/11/92/81/206119281.db2.gz MMZMUQUHXTZVQD-UHFFFAOYSA-N 0 0 359.513 5.644 10 0 FKAERN Cc1ccc(-c2nc3c(cc(C45CC6CC(CC(C6)C4)C5)cc3C)[nH]2)cc1 ZINC000226303608 206120156 /nfs/dbraw/zinc/12/01/56/206120156.db2.gz KHFSATGXXKNBJU-UHFFFAOYSA-N 0 0 356.513 6.315 10 0 FKAERN c1ccc(-c2ccc3oc(-c4ccc5c(c4)-c4ccccc4C5)nc3c2)cc1 ZINC000226305277 206120355 /nfs/dbraw/zinc/12/03/55/206120355.db2.gz KYBPNWCBZZCRDD-UHFFFAOYSA-N 0 0 359.428 6.733 10 0 FKAERN Cc1cc2nc(C3=CCN(Cc4ccc(F)cc4Cl)CC3)oc2cc1C ZINC000226307834 206119388 /nfs/dbraw/zinc/11/93/88/206119388.db2.gz XUKRMOMMKZDLON-UHFFFAOYSA-N 0 0 370.855 5.526 10 0 FKAERN Nc1nc2c(cc(NC(=O)c3ccc(Cl)cc3Cl)cc2Cl)s1 ZINC000226310553 222883854 /nfs/dbraw/zinc/88/38/54/222883854.db2.gz PTOYSCNEFFWLLP-UHFFFAOYSA-N 0 0 372.664 5.091 10 0 FKAERN Cc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1 ZINC000226317836 222883762 /nfs/dbraw/zinc/88/37/62/222883762.db2.gz FAICTENHXMEMCA-UHFFFAOYSA-N 0 0 369.589 5.061 10 0 FKAERN CCOC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1 ZINC000226318495 206121122 /nfs/dbraw/zinc/12/11/22/206121122.db2.gz OUQZEYFMJALKRS-UHFFFAOYSA-N 0 0 369.244 5.148 10 0 FKAERN CCOC(=O)c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000226321842 206121055 /nfs/dbraw/zinc/12/10/55/206121055.db2.gz MSUQXJPTKGSGLZ-UHFFFAOYSA-N 0 0 359.636 5.403 10 0 FKAERN CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000226321896 209367149 /nfs/dbraw/zinc/36/71/49/209367149.db2.gz XXXLZVXDPBJNAU-UHFFFAOYSA-N 0 0 359.636 5.403 10 0 FKAERN COC(=O)c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Cl)c1 ZINC000226321942 206121204 /nfs/dbraw/zinc/12/12/04/206121204.db2.gz PBZHBXLUYYICLK-UHFFFAOYSA-N 0 0 363.599 5.152 10 0 FKAERN COC(=O)c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000226324957 206121525 /nfs/dbraw/zinc/12/15/25/206121525.db2.gz YCWPZJLXOQUDGH-UHFFFAOYSA-N 0 0 361.224 5.512 10 0 FKAERN CCOC(=O)c1cc(Cl)c(OCc2cccc3ccccc32)c(OC)c1 ZINC000226325145 209367005 /nfs/dbraw/zinc/36/70/05/209367005.db2.gz ZHULIUFTIIDWNM-UHFFFAOYSA-N 0 0 370.832 5.258 10 0 FKAERN CCOC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000226327043 209366792 /nfs/dbraw/zinc/36/67/92/209366792.db2.gz NJGICFLDCVPXHN-UHFFFAOYSA-N 0 0 359.636 5.403 10 0 FKAERN Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N1CCCCC1 ZINC000226329712 132250478 /nfs/dbraw/zinc/25/04/78/132250478.db2.gz SVULYNANDDWJJI-UHFFFAOYSA-N 0 0 365.521 5.117 10 0 FKAERN Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1[C@@H](C)CCC[C@@H]1C ZINC000226330022 132250441 /nfs/dbraw/zinc/25/04/41/132250441.db2.gz ATXYIAIRMVDFJE-GJZGRUSLSA-N 0 0 371.912 5.250 10 0 FKAERN Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1[C@H](C)CCC[C@@H]1C ZINC000226330030 132250384 /nfs/dbraw/zinc/25/03/84/132250384.db2.gz ATXYIAIRMVDFJE-GASCZTMLSA-N 0 0 371.912 5.250 10 0 FKAERN Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1[C@H](C)CCC[C@H]1C ZINC000226330039 132250436 /nfs/dbraw/zinc/25/04/36/132250436.db2.gz ATXYIAIRMVDFJE-HUUCEWRRSA-N 0 0 371.912 5.250 10 0 FKAERN Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1[C@@H](C)CCC[C@@H]1C ZINC000226330331 132250291 /nfs/dbraw/zinc/25/02/91/132250291.db2.gz MTMVFYNXDLGWKK-GJZGRUSLSA-N 0 0 371.912 5.250 10 0 FKAERN Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1[C@H](C)CCC[C@@H]1C ZINC000226330334 132250270 /nfs/dbraw/zinc/25/02/70/132250270.db2.gz MTMVFYNXDLGWKK-GASCZTMLSA-N 0 0 371.912 5.250 10 0 FKAERN Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1[C@H](C)CCC[C@H]1C ZINC000226330338 132250546 /nfs/dbraw/zinc/25/05/46/132250546.db2.gz MTMVFYNXDLGWKK-HUUCEWRRSA-N 0 0 371.912 5.250 10 0 FKAERN Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1[C@@H](C)CCC[C@@H]1C ZINC000226330343 132250306 /nfs/dbraw/zinc/25/03/06/132250306.db2.gz WLGWXDFQCBCHQO-GJZGRUSLSA-N 0 0 371.912 5.250 10 0 FKAERN Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1[C@H](C)CCC[C@@H]1C ZINC000226330347 132250377 /nfs/dbraw/zinc/25/03/77/132250377.db2.gz WLGWXDFQCBCHQO-GASCZTMLSA-N 0 0 371.912 5.250 10 0 FKAERN Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1[C@H](C)CCC[C@H]1C ZINC000226330350 132250517 /nfs/dbraw/zinc/25/05/17/132250517.db2.gz WLGWXDFQCBCHQO-HUUCEWRRSA-N 0 0 371.912 5.250 10 0 FKAERN CCN(CC)c1ccc(-c2nc3cc(C)ccc3o2)cc1Br ZINC000226332111 206122001 /nfs/dbraw/zinc/12/20/01/206122001.db2.gz PGVXAFYUAGQXBC-UHFFFAOYSA-N 0 0 359.267 5.412 10 0 FKAERN CCN(CC)c1ccc(-c2nc3cc(C)c(C)cc3o2)cc1Br ZINC000226332121 222884140 /nfs/dbraw/zinc/88/41/40/222884140.db2.gz DZAJJCRXESDDHW-UHFFFAOYSA-N 0 0 373.294 5.720 10 0 FKAERN CCN(CC)c1ccc(-c2nc3cc(C)cc(C)c3o2)cc1Br ZINC000226332129 222884646 /nfs/dbraw/zinc/88/46/46/222884646.db2.gz FKXLZMUYQRXMNO-UHFFFAOYSA-N 0 0 373.294 5.720 10 0 FKAERN CCc1ccc2oc(-c3ccc(N(CC)CC)c(Br)c3)nc2c1 ZINC000226332152 206122402 /nfs/dbraw/zinc/12/24/02/206122402.db2.gz WLIDIVJJXNTNHI-UHFFFAOYSA-N 0 0 373.294 5.666 10 0 FKAERN CCN(CC)c1ccc(-c2nc3ccccc3s2)cc1Br ZINC000226332188 206121788 /nfs/dbraw/zinc/12/17/88/206121788.db2.gz RTNVJGCFMSCZBQ-UHFFFAOYSA-N 0 0 361.308 5.572 10 0 FKAERN CCN(CC)c1ccc(-c2nc3cc(C)ccc3[nH]2)cc1Br ZINC000226332204 209367320 /nfs/dbraw/zinc/36/73/20/209367320.db2.gz IOAFGMZPTYPCJQ-UHFFFAOYSA-N 0 0 358.283 5.147 10 0 FKAERN COC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000226333853 209367357 /nfs/dbraw/zinc/36/73/57/209367357.db2.gz FBNNHGLFGPVRBK-XVNBXDOJSA-N 0 0 371.647 5.412 10 0 FKAERN CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1 ZINC000226334231 206122221 /nfs/dbraw/zinc/12/22/21/206122221.db2.gz XHHSSFOUWRIHAG-XBXARRHUSA-N 0 0 369.219 5.288 10 0 FKAERN CCOC(=O)/C=C/c1ccc(OCc2cccc3ccccc32)c(Cl)c1 ZINC000226334884 209367252 /nfs/dbraw/zinc/36/72/52/209367252.db2.gz WKVIXJOKVBSFMP-ACCUITESSA-N 0 0 366.844 5.649 10 0 FKAERN Cc1cc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2c(Br)c1 ZINC000226342577 206123776 /nfs/dbraw/zinc/12/37/76/206123776.db2.gz IHJWDYLIPQEGCL-UHFFFAOYSA-N 0 0 363.258 5.968 10 0 FKAERN Cc1cccc(-c2nc3c(cc(Br)cc3Br)[nH]2)c1 ZINC000226342776 206122822 /nfs/dbraw/zinc/12/28/22/206122822.db2.gz ZENUMPHXZWPVSZ-UHFFFAOYSA-N 0 0 366.056 5.063 10 0 FKAERN Clc1cc2[nH]c(Cc3ccc(Br)cc3)nc2c(Cl)c1 ZINC000226342850 206122337 /nfs/dbraw/zinc/12/23/37/206122337.db2.gz JNOGSPGACBFZNM-UHFFFAOYSA-N 0 0 356.050 5.223 10 0 FKAERN Clc1ccc(Cc2nc3c(cc(Cl)cc3Br)[nH]2)cc1 ZINC000226342870 206121948 /nfs/dbraw/zinc/12/19/48/206121948.db2.gz SFITUORXFQHSMB-UHFFFAOYSA-N 0 0 356.050 5.223 10 0 FKAERN Cc1cc2[nH]c(-c3ccccc3Br)nc2c(Br)c1 ZINC000226343143 206121577 /nfs/dbraw/zinc/12/15/77/206121577.db2.gz KBSQBEXERJLOLB-UHFFFAOYSA-N 0 0 366.056 5.063 10 0 FKAERN Cc1cc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c(Br)c1 ZINC000226343331 206122266 /nfs/dbraw/zinc/12/22/66/206122266.db2.gz BVACYRQANOIADX-UHFFFAOYSA-N 0 0 356.050 5.608 10 0 FKAERN COc1cc2[nH]c(-c3cc(Cl)ccc3Cl)nc2c(Br)c1 ZINC000226343399 206122106 /nfs/dbraw/zinc/12/21/06/206122106.db2.gz VYWOLDABHDLGHJ-UHFFFAOYSA-N 0 0 372.049 5.308 10 0 FKAERN Cc1ccc(-c2nc3c(cc(Br)cc3Cl)[nH]2)cc1Cl ZINC000226343409 206121361 /nfs/dbraw/zinc/12/13/61/206121361.db2.gz ZCZORHJNTVHYOH-UHFFFAOYSA-N 0 0 356.050 5.608 10 0 FKAERN Cc1ccc(-c2nc3c(cc(Cl)cc3Br)[nH]2)cc1Cl ZINC000226343421 206121744 /nfs/dbraw/zinc/12/17/44/206121744.db2.gz OFGDJQASUOLKHA-UHFFFAOYSA-N 0 0 356.050 5.608 10 0 FKAERN COc1ccc(-c2nc3c(cc(Cl)cc3Cl)[nH]2)cc1Br ZINC000226343509 206122369 /nfs/dbraw/zinc/12/23/69/206122369.db2.gz WVKKBWSNLNCPDX-UHFFFAOYSA-N 0 0 372.049 5.308 10 0 FKAERN COc1ccc(-c2nc3c(cc(Br)cc3Cl)[nH]2)cc1Cl ZINC000226343619 206122112 /nfs/dbraw/zinc/12/21/12/206122112.db2.gz DHPUUQBKQPPTHX-UHFFFAOYSA-N 0 0 372.049 5.308 10 0 FKAERN CCOC(=O)c1cc2nc(-c3ccc(Cl)cc3Cl)[nH]c2c(Cl)c1 ZINC000226344678 206121463 /nfs/dbraw/zinc/12/14/63/206121463.db2.gz XVCCNZQJVSPIQM-UHFFFAOYSA-N 0 0 369.635 5.367 10 0 FKAERN Cc1cc(N)c(NC(=O)C(c2ccccc2)c2ccccc2)cc1Cl ZINC000226346905 206122065 /nfs/dbraw/zinc/12/20/65/206122065.db2.gz VMPPFGHZOQKVBS-UHFFFAOYSA-N 0 0 350.849 5.001 10 0 FKAERN Cc1cc(N)c(NC(=O)c2sc3ccccc3c2Cl)cc1Cl ZINC000226347253 206121315 /nfs/dbraw/zinc/12/13/15/206121315.db2.gz LSQSCNYRFJJLRC-UHFFFAOYSA-N 0 0 351.258 5.351 10 0 FKAERN Cc1cc(C)c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(N)c1 ZINC000226347365 206121996 /nfs/dbraw/zinc/12/19/96/206121996.db2.gz HYAZSNFNOGKZIT-UHFFFAOYSA-N 0 0 365.285 5.659 10 0 FKAERN Cc1cc(N)c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1Cl ZINC000226348228 206121826 /nfs/dbraw/zinc/12/18/26/206121826.db2.gz GDJMFASYBDYONJ-UHFFFAOYSA-N 0 0 361.228 5.396 10 0 FKAERN Cc1cc(N)c(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1Cl ZINC000226348277 206122470 /nfs/dbraw/zinc/12/24/70/206122470.db2.gz LHBVXUCHQRILFM-UHFFFAOYSA-N 0 0 361.228 5.396 10 0 FKAERN CCOc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3C)o2)c(N)c1 ZINC000226348353 206122570 /nfs/dbraw/zinc/12/25/70/206122570.db2.gz CNXWRPRLPSCKLF-UHFFFAOYSA-N 0 0 370.836 5.142 10 0 FKAERN Cc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c(N)c1 ZINC000226348825 206121985 /nfs/dbraw/zinc/12/19/85/206121985.db2.gz FFVFBXMCEIEIHY-UHFFFAOYSA-N 0 0 361.228 5.396 10 0 FKAERN C[C@H]1CCC[C@H](OC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)C1 ZINC000226357853 222885678 /nfs/dbraw/zinc/88/56/78/222885678.db2.gz CICGXGGFHBMCLY-KXBFYZLASA-N 0 0 362.425 5.196 10 0 FKAERN Cc1ccc(-c2cc3ccccc3oc2=O)cc1C(=O)OC1CCCCC1 ZINC000226357880 206121809 /nfs/dbraw/zinc/12/18/09/206121809.db2.gz UHBCARYEJIYUCH-UHFFFAOYSA-N 0 0 362.425 5.258 10 0 FKAERN Cc1c(C(=O)OC2CCCCC2)cccc1-c1cc2ccccc2oc1=O ZINC000226357926 222885295 /nfs/dbraw/zinc/88/52/95/222885295.db2.gz VPMJFRXGPOCAPU-UHFFFAOYSA-N 0 0 362.425 5.258 10 0 FKAERN C[C@H]1CCC[C@H](OC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)C1 ZINC000226358003 222885235 /nfs/dbraw/zinc/88/52/35/222885235.db2.gz STNOHSOGHQPZAB-KXBFYZLASA-N 0 0 362.425 5.196 10 0 FKAERN CCc1ccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 ZINC000226363005 132250908 /nfs/dbraw/zinc/25/09/08/132250908.db2.gz HMNHWSAEHIQNBA-UHFFFAOYSA-N 0 0 365.885 6.346 10 0 FKAERN O=C(c1cccc(Cl)c1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000226363075 132251059 /nfs/dbraw/zinc/25/10/59/132251059.db2.gz IALZCYJDTNJNJV-UHFFFAOYSA-N 0 0 372.276 6.437 10 0 FKAERN O=C(c1cccc(F)c1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000226363082 132250937 /nfs/dbraw/zinc/25/09/37/132250937.db2.gz CFBIZTBJTZZJDR-UHFFFAOYSA-N 0 0 355.821 5.922 10 0 FKAERN COc1ccccc1C(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000226363427 132251111 /nfs/dbraw/zinc/25/11/11/132251111.db2.gz NAWGTOWFQNKHQJ-UHFFFAOYSA-N 0 0 367.857 5.792 10 0 FKAERN COc1cccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)c1 ZINC000226363438 132251188 /nfs/dbraw/zinc/25/11/88/132251188.db2.gz AQAZJOFHIHBSHN-UHFFFAOYSA-N 0 0 367.857 5.792 10 0 FKAERN COC(=O)c1c(C)n(C(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 ZINC000226365973 209369156 /nfs/dbraw/zinc/36/91/56/209369156.db2.gz LNZTZBLWGCHYCT-UHFFFAOYSA-N 0 0 369.420 5.092 10 0 FKAERN Cc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000226756052 206123585 /nfs/dbraw/zinc/12/35/85/206123585.db2.gz PSIUFIPWKQHKSD-UHFFFAOYSA-N 0 0 361.228 5.396 10 0 FKAERN Cc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000226756116 209368674 /nfs/dbraw/zinc/36/86/74/209368674.db2.gz WJKDOLKHZDUOLS-UHFFFAOYSA-N 0 0 361.228 5.396 10 0 FKAERN Nc1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c1 ZINC000226764605 222888314 /nfs/dbraw/zinc/88/83/14/222888314.db2.gz CERLAVQMAKHQFF-UHFFFAOYSA-N 0 0 365.191 5.227 10 0 FKAERN CCCCc1ccc(NS(=O)(=O)c2ccc3c4c(cccc42)CC3)cc1 ZINC000226861962 222887601 /nfs/dbraw/zinc/88/76/01/222887601.db2.gz STUNJVMKMXXZGT-UHFFFAOYSA-N 0 0 365.498 5.082 10 0 FKAERN Cc1cc(N)ccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000227144658 222888655 /nfs/dbraw/zinc/88/86/55/222888655.db2.gz ZEKDNHBJZWGCDR-UHFFFAOYSA-N 0 0 361.228 5.396 10 0 FKAERN Cc1cc(N)ccc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000227144668 209367982 /nfs/dbraw/zinc/36/79/82/209367982.db2.gz CSTBDRGMLOSENA-UHFFFAOYSA-N 0 0 361.228 5.396 10 0 FKAERN Cc1cc(N)cc(Cl)c1NC(=O)/C=C/c1ccc(-c2ccccc2F)o1 ZINC000227145623 525035776 /nfs/dbraw/zinc/03/57/76/525035776.db2.gz MWERZBYSWCYGEV-VQHVLOKHSA-N 0 0 370.811 5.282 10 0 FKAERN Cc1cc(N)ccc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 ZINC000227145657 206124365 /nfs/dbraw/zinc/12/43/65/206124365.db2.gz IZXOPQZPRHUEQK-DHZHZOJOSA-N 0 0 352.821 5.143 10 0 FKAERN Cc1cc(N)ccc1NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000227145706 222889350 /nfs/dbraw/zinc/88/93/50/222889350.db2.gz AVDWZIXAAACNMG-JXMROGBWSA-N 0 0 352.821 5.143 10 0 FKAERN Cc1cc(N)ccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000227145754 209369359 /nfs/dbraw/zinc/36/93/59/209369359.db2.gz GUMKJSUHJJIBSX-DHZHZOJOSA-N 0 0 352.821 5.143 10 0 FKAERN CC(C)(C)c1ccc(C(=O)n2c3ccc(Cl)cc3c3c2CCCC3)cc1 ZINC000227158259 209368280 /nfs/dbraw/zinc/36/82/80/209368280.db2.gz ZYHJIBZZBUSPMT-UHFFFAOYSA-N 0 0 365.904 6.160 10 0 FKAERN Cc1cccc(C(=O)n2c3ccc(Br)cc3c3c2CCCC3)c1 ZINC000227158339 222889410 /nfs/dbraw/zinc/88/94/10/222889410.db2.gz ONINDMLGCFKFQY-UHFFFAOYSA-N 0 0 368.274 5.280 10 0 FKAERN C[C@]1([C@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)CCC(=O)O1 ZINC000245238342 525314282 /nfs/dbraw/zinc/31/42/82/525314282.db2.gz KYUZKRJIOGSDGT-UMFWJPOXSA-N 0 0 372.549 5.022 10 0 FKAERN CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@H](O)C[C@H]21 ZINC000248291695 222966403 /nfs/dbraw/zinc/96/64/03/222966403.db2.gz UEKGZFCGRQYMRM-GBESFXJTSA-N 0 0 374.565 6.056 10 0 FKAERN c1ccc(-c2cc(N3CCCCC3)c3cc(N4CCCCC4)ccc3n2)nc1 ZINC000253495183 132293836 /nfs/dbraw/zinc/29/38/36/132293836.db2.gz GCZXKJJOQQPEFI-UHFFFAOYSA-N 0 0 372.516 5.277 10 0 FKAERN C[C@]1([C@@H]2CC[C@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)CCC(=O)O1 ZINC000253534588 525314435 /nfs/dbraw/zinc/31/44/35/525314435.db2.gz KYUZKRJIOGSDGT-PFZOMXFUSA-N 0 0 372.549 5.022 10 0 FKAERN Cc1ccc(-n2c(-c3ccccc3)csc2=NC(=O)c2ccccc2)cc1 ZINC000254309384 203910846 /nfs/dbraw/zinc/91/08/46/203910846.db2.gz MRIQLGKJMSQYQU-UHFFFAOYSA-N 0 0 370.477 5.255 10 0 FKAERN COc1ccc(N=c2nc(-c3ccc(C)cc3)n(-c3ccccc3)s2)cc1 ZINC000254682647 524449720 /nfs/dbraw/zinc/44/97/20/524449720.db2.gz JYXZQYHEHNCACA-UHFFFAOYSA-N 0 0 373.481 5.150 10 0 FKAERN Cc1ccc(NC(=O)c2ccccc2NCc2ccccc2)cc1Cl ZINC000255187535 222997502 /nfs/dbraw/zinc/99/75/02/222997502.db2.gz FEWQVRKWIPXZCG-UHFFFAOYSA-N 0 0 350.849 5.513 10 0 FKAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@]1(c2ccccc2)OC(=O)c2ccccc21 ZINC000255979519 527808909 /nfs/dbraw/zinc/80/89/09/527808909.db2.gz IRVNXTZDUTXMJY-SRBYMVNNSA-N 0 0 364.485 5.536 10 0 FKAERN C[C@@H]1CP(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@H]2[C@@H]1CCC2(C)C ZINC000255986304 210217498 /nfs/dbraw/zinc/21/74/98/210217498.db2.gz LTXIQCIVTVZGOA-CKKISIDZSA-N 0 0 358.550 6.843 10 0 FKAERN C[C@@H]1CP(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@H]2[C@H]1CCC2(C)C ZINC000255986305 223000084 /nfs/dbraw/zinc/00/00/84/223000084.db2.gz LTXIQCIVTVZGOA-TWPDXFCUSA-N 0 0 358.550 6.843 10 0 FKAERN Cc1ccc(N2CCN(c3ccccc3)[C@H]2C(Cl)(Cl)Cl)cc1 ZINC000255987688 222999470 /nfs/dbraw/zinc/99/94/70/222999470.db2.gz MJRIGANXWCCZOF-MRXNPFEDSA-N 0 0 355.696 5.018 10 0 FKAERN Cc1cc(C)cc(N2CCN(c3ccccc3)[C@H]2C(Cl)(Cl)Cl)c1 ZINC000255990763 223000705 /nfs/dbraw/zinc/00/07/05/223000705.db2.gz NTBCSCRRHWBSQY-QGZVFWFLSA-N 0 0 369.723 5.326 10 0 FKAERN Cc1c(-c2ccccc2)sc(=NC(=O)c2ccccc2)n1-c1ccccc1 ZINC000256008418 203913322 /nfs/dbraw/zinc/91/33/22/203913322.db2.gz WCXNUUDVDSNLSW-UHFFFAOYSA-N 0 0 370.477 5.255 10 0 FKAERN CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCCN1C(=O)C=CC1=O ZINC000256072139 209952799 /nfs/dbraw/zinc/95/27/99/209952799.db2.gz GZNZRHSGGQUYAP-BHVWNTRMSA-N 0 0 369.549 6.057 10 0 FKAERN CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCCN1C(=O)C=CC1=O ZINC000256072140 528093182 /nfs/dbraw/zinc/09/31/82/528093182.db2.gz GZNZRHSGGQUYAP-LIJGZOPESA-N 0 0 369.549 6.057 10 0 FKAERN CCCCC[C@@H]1O[C@@H]1C[C@H]1O[C@@H]1CCCCCCCCCC(=O)OCC ZINC000256089339 528266017 /nfs/dbraw/zinc/26/60/17/528266017.db2.gz PEZIQWVKZYIKRH-DOIPELPJSA-N 0 0 368.558 5.566 10 0 FKAERN C=Cc1c(N)c(-c2nc(-c3ccc(Cl)cc3)cs2)c2ccccn12 ZINC000257173666 570525959 /nfs/dbraw/zinc/52/59/59/570525959.db2.gz UQFBZGSDCNLWJN-UHFFFAOYSA-N 0 0 351.862 5.608 10 0 FKAERN CCCCC[C@H]1CC[C@H](c2ccc(Oc3ccc(N)cc3N)cc2)CC1 ZINC000257354258 206629206 /nfs/dbraw/zinc/62/92/06/206629206.db2.gz WRUJHIOBEVPDML-IYARVYRRSA-N 0 0 352.522 6.497 10 0 FKAERN CC(C)(C)OC(=O)N[C@H]1CCCCc2cc(-c3ccnc(Cl)n3)ccc21 ZINC000261507730 210221535 /nfs/dbraw/zinc/22/15/35/210221535.db2.gz LPPVKASAUROTBP-KRWDZBQOSA-N 0 0 373.884 5.089 10 0 FKAERN CC(C)(C)OC(=O)N[C@@H]1CCCCc2cc(-c3ccnc(Cl)n3)ccc21 ZINC000261507731 206795067 /nfs/dbraw/zinc/79/50/67/206795067.db2.gz LPPVKASAUROTBP-QGZVFWFLSA-N 0 0 373.884 5.089 10 0 FKAERN FC(F)(F)c1ccc(Br)c(C(F)(F)F)c1Br ZINC000261508184 534418331 /nfs/dbraw/zinc/41/83/31/534418331.db2.gz QHADGXFREZISAE-UHFFFAOYSA-N 0 0 371.900 5.249 10 0 FKAERN CC(C)(C)C(C(=O)c1ccccc1)[C@@]12CC[C@@H]([C@H](C(C)(C)C)C1=O)C2(C)C ZINC000263583808 527545108 /nfs/dbraw/zinc/54/51/08/527545108.db2.gz AVEAKUXEUBBFLC-FHIKGNHPSA-N 0 0 368.561 6.669 10 0 FKAERN CCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(F)cc3)cc2)CC1 ZINC000263584088 529005255 /nfs/dbraw/zinc/00/52/55/529005255.db2.gz JSLAYZBQHHXVJR-IYARVYRRSA-N 0 0 354.465 6.509 10 0 FKAERN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CCCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000263584116 527118356 /nfs/dbraw/zinc/11/83/56/527118356.db2.gz KDLNOQQQEBKBQM-JMYRFEBBSA-N 0 0 372.549 5.476 10 0 FKAERN C1=C2C=CCC3=C2[C@]2(C1)c1c(cccc1CPC3)C[C@@H]2c1ccccc1 ZINC000263584564 263464854 /nfs/dbraw/zinc/46/48/54/263464854.db2.gz WNSOXOMTYBAEBG-RCZVLFRGSA-N 0 0 354.433 6.043 10 0 FKAERN CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@@H]3CC[C@@]12C ZINC000263603501 571318551 /nfs/dbraw/zinc/31/85/51/571318551.db2.gz NOTIQUSPUUHHEH-MUVYUBHNSA-N 0 0 360.538 5.166 10 0 FKAERN CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@@H]3CC[C@]21C ZINC000263603502 571318503 /nfs/dbraw/zinc/31/85/03/571318503.db2.gz NOTIQUSPUUHHEH-WTBQIVMNSA-N 0 0 360.538 5.166 10 0 FKAERN CC(C)(C)c1csc(=Nc2ccccn2)n1-c1ccc(C(C)(C)C)cc1 ZINC000263629878 210006841 /nfs/dbraw/zinc/00/68/41/210006841.db2.gz RWBHJJDAQMTOHH-UHFFFAOYSA-N 0 0 365.546 5.761 10 0 FKAERN CCCCC/C=C/C/C=C/C/C=C/C/C=C\CC[C@H](C)C(=O)NCCF ZINC000271775023 206631587 /nfs/dbraw/zinc/63/15/87/206631587.db2.gz HMMNZALKMVCHHZ-AKFHZTFZSA-N 0 0 363.561 6.464 10 0 FKAERN C[C@@]12CCC[C@@H]1[C@H]1CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)[C@]1(C)CC2 ZINC000299754834 210007070 /nfs/dbraw/zinc/00/70/70/210007070.db2.gz XBNRGUOCXSKYLM-PIRYZJJHSA-N 0 0 370.665 8.252 10 0 FKAERN CC(C)(C)OC(=O)n1c2ccccc2c(Br)c1C(C)(C)C ZINC000299888919 526535278 /nfs/dbraw/zinc/53/52/78/526535278.db2.gz ANLYPQZOQUVTSE-UHFFFAOYSA-N 0 0 352.272 5.485 10 0 FKAERN Cn1nnc(CSc2ccc(F)cc2)c1-c1ccc(Cl)c(Cl)c1 ZINC000334161841 534334831 /nfs/dbraw/zinc/33/48/31/534334831.db2.gz GBWFLBOCSJJIQG-UHFFFAOYSA-N 0 0 368.264 5.220 10 0 FKAERN CCc1ccc(-c2cn3cc(-c4ccc(C)c(C)c4)n4c3c2CCCC4)cc1 ZINC000334163360 529575473 /nfs/dbraw/zinc/57/54/73/529575473.db2.gz ZJDOIWFVBGBWOX-UHFFFAOYSA-N 0 0 368.524 6.590 10 0 FKAERN Brc1ccc(OCc2ccncc2)cc1OCc1ccccc1 ZINC000498050489 263667432 /nfs/dbraw/zinc/66/74/32/263667432.db2.gz FDRADKQXBZWXPC-UHFFFAOYSA-N 0 0 370.246 5.002 10 0 FKAERN CCCC(CCC)c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000498050517 263667345 /nfs/dbraw/zinc/66/73/45/263667345.db2.gz JUDMWXJZJZZISD-UHFFFAOYSA-N 0 0 361.323 6.712 10 0 FKAERN Brc1ccc(OCc2ccccc2)cc1OCc1ccncc1 ZINC000498050538 571272435 /nfs/dbraw/zinc/27/24/35/571272435.db2.gz LZRBQDMZEFXAAV-UHFFFAOYSA-N 0 0 370.246 5.002 10 0 FKAERN CC(C)(C)OC(=O)N1CCCc2ccccc2[C@H]1c1ccnc(Cl)c1 ZINC000503852590 263721741 /nfs/dbraw/zinc/72/17/41/263721741.db2.gz HJWPTFMPFCRBNZ-GOSISDBHSA-N 0 0 358.869 5.008 10 0 FKAERN CC(C)(C)OC(=O)N1CCCc2ccccc2[C@@H]1c1ccnc(Cl)c1 ZINC000503852591 263721101 /nfs/dbraw/zinc/72/11/01/263721101.db2.gz HJWPTFMPFCRBNZ-SFHVURJKSA-N 0 0 358.869 5.008 10 0 FKAERN CCCCCc1oc([C@H](O)CCCCCCCC(=O)OC)c(C)c1C ZINC000504568984 263749386 /nfs/dbraw/zinc/74/93/86/263749386.db2.gz HFLZHCKHKNWVOH-GOSISDBHSA-N 0 0 352.515 5.566 10 0 FKAERN CCCCCc1oc([C@@H](O)CCCCCCCC(=O)OC)c(C)c1C ZINC000504568985 263749004 /nfs/dbraw/zinc/74/90/04/263749004.db2.gz HFLZHCKHKNWVOH-SFHVURJKSA-N 0 0 352.515 5.566 10 0 FKAERN CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C(=O)OCC)=C[C@H]21 ZINC000504610338 263750742 /nfs/dbraw/zinc/75/07/42/263750742.db2.gz SOCHNPHPKBRBTC-ZWKOTPCHSA-N 0 0 372.505 5.279 10 0 FKAERN FC(F)(Br)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000584881693 571156461 /nfs/dbraw/zinc/15/64/61/571156461.db2.gz MRNALQOXIYKYKW-UHFFFAOYSA-N 0 0 362.011 5.560 10 0 FKAERN FC(F)(F)c1ccccc1-c1ccc(C(F)(F)Br)cc1 ZINC000584881774 571156454 /nfs/dbraw/zinc/15/64/54/571156454.db2.gz QUCKGOBGRJFQMR-UHFFFAOYSA-N 0 0 351.112 5.817 10 0 FKAERN Cc1cc(C(F)F)nc2cc(Br)cc(Br)c12 ZINC000667363400 571151521 /nfs/dbraw/zinc/15/15/21/571151521.db2.gz YOPBWFOCCHFTFB-UHFFFAOYSA-N 0 0 350.988 5.006 10 0 FKAERN Cc1cc(C(F)F)nc2cc(Br)c(Br)cc12 ZINC000669372275 571174082 /nfs/dbraw/zinc/17/40/82/571174082.db2.gz MCJMNIXDLOUPFI-UHFFFAOYSA-N 0 0 350.988 5.006 10 0 FKAERN CC(C)(C)OC(=O)/C=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000725273783 570543336 /nfs/dbraw/zinc/54/33/36/570543336.db2.gz GFQUTUKAPBZRNC-IZZDOVSWSA-N 0 0 362.828 5.413 10 0 FKAERN