smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@H](C)Nc2cccc(I)c2)cc1 ZINC000020479065 212135343 /nfs/dbraw/zinc/13/53/43/212135343.db2.gz FMNMLYAVPPMQDN-LBPRGKRZSA-N 0 0 337.204 4.773 10 0 EJAERN O[C@H](Cc1ccc(F)cc1Br)c1cccc(Cl)c1 ZINC000053782536 214197834 /nfs/dbraw/zinc/19/78/34/214197834.db2.gz FEEBXPRDCZMWPL-CQSZACIVSA-N 0 0 329.596 4.518 10 0 EJAERN C[C@H](Nc1ccc(Cl)cc1N)c1cccc(Br)c1 ZINC000049564142 214019924 /nfs/dbraw/zinc/01/99/24/214019924.db2.gz LSLFYYLTPGDQIH-VIFPVBQESA-N 0 0 325.637 4.858 10 0 EJAERN Cc1c(I)ccnc1NC1CCCCCCC1 ZINC000098180366 219086405 /nfs/dbraw/zinc/08/64/05/219086405.db2.gz OUZDPHHLFBSEAQ-UHFFFAOYSA-N 0 0 344.240 4.519 10 0 EJAERN FC(F)(F)C(F)(F)CCCOc1cccc(Br)c1 ZINC000098210653 219087320 /nfs/dbraw/zinc/08/73/20/219087320.db2.gz GDSCUOFHJHPCKE-UHFFFAOYSA-N 0 0 333.094 4.806 10 0 EJAERN O=c1sc(-c2ccccc2)cc(O)c1Cc1ccc(Cl)cc1 ZINC000100359253 219097643 /nfs/dbraw/zinc/09/76/43/219097643.db2.gz PTRPREDJTQIMRZ-UHFFFAOYSA-N 0 0 328.820 4.725 10 0 EJAERN CC(C)(C)c1ccc(C(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000004331587 210173561 /nfs/dbraw/zinc/17/35/61/210173561.db2.gz JQOBQIVXTRZYQC-UHFFFAOYSA-N 0 0 328.412 4.985 10 0 EJAERN COc1ccc(Oc2cc(C=O)cc(OC)c2OC)c(C(C)(C)C)c1 ZINC000004227105 210146412 /nfs/dbraw/zinc/14/64/12/210146412.db2.gz BVBORMLDDKREMZ-UHFFFAOYSA-N 0 0 344.407 4.615 10 0 EJAERN Cc1cc(C)nc(Oc2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000012090370 201824609 /nfs/dbraw/zinc/82/46/09/201824609.db2.gz BCPQNCWVYPALTF-UHFFFAOYSA-N 0 0 334.379 4.530 10 0 EJAERN C[C@@H](Nc1ncnc2sc(Br)cc21)c1ccccc1 ZINC000066348352 215034582 /nfs/dbraw/zinc/03/45/82/215034582.db2.gz VRNQAFKWBFDABH-SECBINFHSA-N 0 0 334.242 4.627 10 0 EJAERN FC(F)(F)c1ccnn1-c1nc(-c2ccc(Cl)s2)cs1 ZINC000003406272 210030117 /nfs/dbraw/zinc/03/01/17/210030117.db2.gz AQXDTTZMCHZNEP-UHFFFAOYSA-N 0 0 335.763 4.730 10 0 EJAERN C[C@@H](c1ccc(Cl)cc1)N(C)c1ccc(N)cc1Br ZINC000103940311 219331571 /nfs/dbraw/zinc/33/15/71/219331571.db2.gz MVKCMBHEXASYEN-JTQLQIEISA-N 0 0 339.664 4.882 10 0 EJAERN CCC[C@@H]1CCC(=O)[C@H](Cc2ccc(F)c(Br)c2)C1 ZINC000103934711 219330083 /nfs/dbraw/zinc/33/00/83/219330083.db2.gz VNPWQKRQZPVWRQ-YPMHNXCESA-N 0 0 327.237 4.916 10 0 EJAERN CCc1cc2c(s1)NC(CC)=N[C@@H]2SCC(=O)c1ccccc1 ZINC000041090521 213414791 /nfs/dbraw/zinc/41/47/91/213414791.db2.gz DWUGKVOXJMLAAP-QGZVFWFLSA-N 0 0 344.505 4.968 10 0 EJAERN Cc1ccc(C)c(OCC(=O)Nc2ccnc3c(Cl)cccc23)c1 ZINC000041057588 213411578 /nfs/dbraw/zinc/41/15/78/213411578.db2.gz YBPCODOTEXABLD-UHFFFAOYSA-N 0 0 340.810 4.523 10 0 EJAERN O=C(Nc1ccnc2ccc(C(F)(F)F)cc21)c1ccccc1F ZINC000041057148 213411035 /nfs/dbraw/zinc/41/10/35/213411035.db2.gz NBLQVABTNHYBGZ-UHFFFAOYSA-N 0 0 334.272 4.645 10 0 EJAERN Cc1c(Cl)ncnc1Nc1ccc(Br)cc1Cl ZINC000104221321 219361846 /nfs/dbraw/zinc/36/18/46/219361846.db2.gz CCXLQEOCQHXMKR-UHFFFAOYSA-N 0 0 333.016 4.598 10 0 EJAERN Cc1nc(Cl)c(C)c(Sc2ccccc2Br)n1 ZINC000104214188 219361960 /nfs/dbraw/zinc/36/19/60/219361960.db2.gz SZISXDFCQKBMRL-UHFFFAOYSA-N 0 0 329.650 4.661 10 0 EJAERN Cc1cc(C)c(C)c(OCC(=O)Nc2nc3c(cccc3C)s2)c1 ZINC000040965552 213404200 /nfs/dbraw/zinc/40/42/00/213404200.db2.gz CAPJYTSFONUXPT-UHFFFAOYSA-N 0 0 340.448 4.547 10 0 EJAERN O=C(Cc1nc2ccccc2s1)c1sccc1Br ZINC000104284474 219369725 /nfs/dbraw/zinc/36/97/25/219369725.db2.gz YCUQIMDMUGUBCO-UHFFFAOYSA-N 0 0 338.251 4.546 10 0 EJAERN Cc1nc(NC(=O)CCCOc2ccc(C(C)C)cc2)sc1C ZINC000040949942 213403591 /nfs/dbraw/zinc/40/35/91/213403591.db2.gz DJEFTNYHWYJKKQ-UHFFFAOYSA-N 0 0 332.469 4.681 10 0 EJAERN CC(C)Cc1ccc([C@@H](O)c2sccc2Br)cc1 ZINC000104284522 219369839 /nfs/dbraw/zinc/36/98/39/219369839.db2.gz FPUXRWZKZAFEAC-CQSZACIVSA-N 0 0 325.271 4.791 10 0 EJAERN Brc1ccc(Sc2ccccc2C[NH2+]C2CC2)cc1 ZINC000104297085 219371573 /nfs/dbraw/zinc/37/15/73/219371573.db2.gz IBZWRORBOSZJGZ-UHFFFAOYSA-N 0 0 334.282 4.852 10 0 EJAERN C[C@H](O)c1ccc(Sc2ccccc2Br)c(F)c1 ZINC000104296052 219371814 /nfs/dbraw/zinc/37/18/14/219371814.db2.gz SAAFDDNOJQNYCC-VIFPVBQESA-N 0 0 327.218 4.793 10 0 EJAERN C[C@H](O)c1cc(F)ccc1Sc1cccc(Br)c1 ZINC000104290013 219371193 /nfs/dbraw/zinc/37/11/93/219371193.db2.gz OZXQGWIRQVLUCI-VIFPVBQESA-N 0 0 327.218 4.793 10 0 EJAERN Nc1cccc(Cl)c1CSc1cccc(Br)c1 ZINC000104313399 219373497 /nfs/dbraw/zinc/37/34/97/219373497.db2.gz OOYPLMOXPPARMA-UHFFFAOYSA-N 0 0 328.662 4.977 10 0 EJAERN CCCc1nnc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)s1 ZINC000040882493 213397342 /nfs/dbraw/zinc/39/73/42/213397342.db2.gz WBALHZXLDOCPEG-SAPNQHFASA-N 0 0 349.459 4.670 10 0 EJAERN Cc1cc(Oc2ncnc(OC3CCCCC3)c2N)cc(C)c1Cl ZINC000040798040 213388275 /nfs/dbraw/zinc/38/82/75/213388275.db2.gz BDCZDLRYSKOYFF-UHFFFAOYSA-N 0 0 347.846 4.833 10 0 EJAERN Cc1ccccc1Nc1ncnc(Nc2cccc(Cl)c2)c1N ZINC000040781160 213386111 /nfs/dbraw/zinc/38/61/11/213386111.db2.gz CNGIXIJRBKNHKS-UHFFFAOYSA-N 0 0 325.803 4.508 10 0 EJAERN Nc1c(Nc2ccccc2)ncnc1Nc1ccc(Cl)cc1Cl ZINC000040781054 213385878 /nfs/dbraw/zinc/38/58/78/213385878.db2.gz ZKLSAWKAILIJCR-UHFFFAOYSA-N 0 0 346.221 4.853 10 0 EJAERN Cc1cc(Oc2ncnc(NC3CCCCCC3)c2N)ccc1Cl ZINC000040798147 213387732 /nfs/dbraw/zinc/38/77/32/213387732.db2.gz CGIIESUFLNWSPU-UHFFFAOYSA-N 0 0 346.862 4.948 10 0 EJAERN Nc1c(Nc2ccc(F)c(Cl)c2)ncnc1Sc1ccccc1 ZINC000040783212 213387100 /nfs/dbraw/zinc/38/71/00/213387100.db2.gz HBCHUXMESCTXCR-UHFFFAOYSA-N 0 0 346.818 4.746 10 0 EJAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1NC1CCCCCC1 ZINC000040782210 213386463 /nfs/dbraw/zinc/38/64/63/213386463.db2.gz NUUXCYAYHYAGAX-UHFFFAOYSA-N 0 0 331.851 4.591 10 0 EJAERN Nc1c(Nc2ccccc2)ncnc1Nc1cccc2ccccc21 ZINC000040758867 213383770 /nfs/dbraw/zinc/38/37/70/213383770.db2.gz RPIGTBHUDGPLMB-UHFFFAOYSA-N 0 0 327.391 4.699 10 0 EJAERN Nc1c(Nc2cccc3ccccc32)ncnc1Oc1ccccc1 ZINC000040758978 213383791 /nfs/dbraw/zinc/38/37/91/213383791.db2.gz CTYMQKCBPWYDAJ-UHFFFAOYSA-N 0 0 328.375 4.748 10 0 EJAERN CC(C)CN(CC(C)C)c1ncnc(Nc2ccc(Cl)cc2)c1N ZINC000040735670 213379294 /nfs/dbraw/zinc/37/92/94/213379294.db2.gz AXIDDIXHGJKKBM-UHFFFAOYSA-N 0 0 347.894 4.574 10 0 EJAERN Nc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Oc1ccccc1 ZINC000040701104 213372304 /nfs/dbraw/zinc/37/23/04/213372304.db2.gz UUTFOAAFKGVNQF-UHFFFAOYSA-N 0 0 347.205 4.902 10 0 EJAERN Cc1ccc(Nc2ncnc(Nc3ccc(Cl)cc3C)c2N)cc1 ZINC000040703298 213371315 /nfs/dbraw/zinc/37/13/15/213371315.db2.gz DXAMOIHXNQDXDW-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN Nc1c(Oc2ccc3ccccc3c2)ncnc1OC1CCCCC1 ZINC000040687921 213369009 /nfs/dbraw/zinc/36/90/09/213369009.db2.gz FXRSGHJSBDXZQM-UHFFFAOYSA-N 0 0 335.407 4.716 10 0 EJAERN Cc1ccc(Nc2ncnc(Nc3cccc(C)c3C)c2N)cc1C ZINC000040702784 213372058 /nfs/dbraw/zinc/37/20/58/213372058.db2.gz CKWGZKLFXORYFC-UHFFFAOYSA-N 0 0 333.439 4.780 10 0 EJAERN Cc1cc(Cl)ccc1Nc1ncnc(Oc2ccccc2)c1N ZINC000040703392 213371816 /nfs/dbraw/zinc/37/18/16/213371816.db2.gz AQZKESVADHVBKR-UHFFFAOYSA-N 0 0 326.787 4.557 10 0 EJAERN Cc1c(Cl)cccc1Nc1ncnc(Oc2ccccc2)c1N ZINC000040701625 213371845 /nfs/dbraw/zinc/37/18/45/213371845.db2.gz MXJKUCNDGGTJKM-UHFFFAOYSA-N 0 0 326.787 4.557 10 0 EJAERN Cc1cc(C)cc(Oc2ncnc(Oc3ccc(C)c(C)c3)c2N)c1 ZINC000040681649 213367501 /nfs/dbraw/zinc/36/75/01/213367501.db2.gz VRDSBOGHKUYKFV-UHFFFAOYSA-N 0 0 335.407 4.877 10 0 EJAERN Cc1ccc(OCc2noc(-c3ccc(Cl)cc3Cl)n2)cc1 ZINC000040427956 213302812 /nfs/dbraw/zinc/30/28/12/213302812.db2.gz MQIUPZZRKXUDII-UHFFFAOYSA-N 0 0 335.190 4.931 10 0 EJAERN COCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccc(C)cc1C ZINC000040404530 213298722 /nfs/dbraw/zinc/29/87/22/213298722.db2.gz SVOBYAUGTPGRHU-UHFFFAOYSA-N 0 0 348.368 4.985 10 0 EJAERN CC(C)OCc1ccc(C(=O)Nc2ccnc3ccc(Cl)cc32)o1 ZINC000040308386 213291439 /nfs/dbraw/zinc/29/14/39/213291439.db2.gz QLSSWWCTDALNMM-UHFFFAOYSA-N 0 0 344.798 4.659 10 0 EJAERN COc1cc(/C=C/c2ccc(Br)cc2)cc(OC)c1OC ZINC000001622340 209769718 /nfs/dbraw/zinc/76/97/18/209769718.db2.gz UBBBWYGKBDCYDY-SNAWJCMRSA-N 0 0 349.224 4.645 10 0 EJAERN CCC(CC)C(=O)NCCCc1nc2ccccc2n1CCC(C)C ZINC000040204275 213281747 /nfs/dbraw/zinc/28/17/47/213281747.db2.gz CRLFSGIRXOINOZ-UHFFFAOYSA-N 0 0 343.515 4.567 10 0 EJAERN COc1ccc(Oc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1 ZINC000040179170 213279469 /nfs/dbraw/zinc/27/94/69/213279469.db2.gz OUPSFQLDOIPWHD-UHFFFAOYSA-N 0 0 333.387 4.764 10 0 EJAERN CC(C)=CCN1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(C)n1 ZINC000019792413 202021333 /nfs/dbraw/zinc/02/13/33/202021333.db2.gz OUQRYEAYLMEGBJ-JOCHJYFZSA-N 0 0 331.463 4.785 10 0 EJAERN CC(=O)c1ccc(Oc2ccc(F)cc2Br)c(F)c1 ZINC000019871410 202023243 /nfs/dbraw/zinc/02/32/43/202023243.db2.gz PNZCWBRFHVGNBZ-UHFFFAOYSA-N 0 0 327.124 4.722 10 0 EJAERN Nc1cccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000020344632 202039100 /nfs/dbraw/zinc/03/91/00/202039100.db2.gz UOBKLUQAEBZHRE-UHFFFAOYSA-N 0 0 348.246 4.559 10 0 EJAERN OCc1ccc(Oc2ccc(Br)cc2Cl)c(F)c1 ZINC000020435474 202042270 /nfs/dbraw/zinc/04/22/70/202042270.db2.gz VUXSQIPUUUZARB-UHFFFAOYSA-N 0 0 331.568 4.526 10 0 EJAERN C[C@H]1[C@H](Nc2ncnc3onc(-c4ccc(F)cc4)c32)CCC[C@@H]1C ZINC000020574410 202048685 /nfs/dbraw/zinc/04/86/85/202048685.db2.gz RVOLYJSXEBGXKQ-YWPYICTPSA-N 0 0 340.402 4.661 10 0 EJAERN N[C@H](c1cc2cc(Cl)ccc2o1)c1ccc(Br)cc1 ZINC000020389712 202040113 /nfs/dbraw/zinc/04/01/13/202040113.db2.gz MKKKWCANRTYXGW-HNNXBMFYSA-N 0 0 336.616 4.897 10 0 EJAERN C[C@@H](Nc1nncc2ccccc21)c1cccc(Br)c1 ZINC000037984129 213182356 /nfs/dbraw/zinc/18/23/56/213182356.db2.gz NBGNFSNMYYVGAS-LLVKDONJSA-N 0 0 328.213 4.565 10 0 EJAERN O[C@](c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl ZINC000027431500 202155450 /nfs/dbraw/zinc/15/54/50/202155450.db2.gz AKDCDVNDPAZRSM-GOSISDBHSA-N 0 0 330.214 4.673 10 0 EJAERN O=[S@@](c1ccccc1)N(Cc1ccccc1)Sc1ccccc1 ZINC000027642907 202158802 /nfs/dbraw/zinc/15/88/02/202158802.db2.gz YWIMBYATENDVFE-HSZRJFAPSA-N 0 0 339.485 4.919 10 0 EJAERN Cc1ccc(Br)cc1NC[C@H](O)c1ccc(Cl)cc1 ZINC000037893624 213172330 /nfs/dbraw/zinc/17/23/30/213172330.db2.gz NFEOQQBSALKAGR-HNNXBMFYSA-N 0 0 340.648 4.556 10 0 EJAERN C[C@@H](Nc1ccc2nccnc2c1)c1sccc1Br ZINC000037773169 213165370 /nfs/dbraw/zinc/16/53/70/213165370.db2.gz PNEFQEZYOOSLEY-SECBINFHSA-N 0 0 334.242 4.627 10 0 EJAERN Cc1ncc2c(n1)-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 ZINC000029345316 202185239 /nfs/dbraw/zinc/18/52/39/202185239.db2.gz XBSBSLPEDKNWJF-UHFFFAOYSA-N 0 0 337.785 4.596 10 0 EJAERN Nc1cc(-c2nc3cc(Br)ccc3s2)c(F)cc1F ZINC000037605048 213160426 /nfs/dbraw/zinc/16/04/26/213160426.db2.gz HUEFHOSFAKGEBN-UHFFFAOYSA-N 0 0 341.180 4.586 10 0 EJAERN C[C@@](O)(Cc1cccc(Cl)c1)c1cccc(Br)c1 ZINC000037530940 213154396 /nfs/dbraw/zinc/15/43/96/213154396.db2.gz WSJVQQZIGQMJMA-OAHLLOKOSA-N 0 0 325.633 4.553 10 0 EJAERN CC(C)(C)C1CCC(O)(Cc2cccc(Br)c2)CC1 ZINC000037529970 213154408 /nfs/dbraw/zinc/15/44/08/213154408.db2.gz VSJXHZLIKMCIQI-UHFFFAOYSA-N 0 0 325.290 4.959 10 0 EJAERN CCc1ccc(C(=O)c2cc(Br)ccc2Cl)s1 ZINC000037287673 213137610 /nfs/dbraw/zinc/13/76/10/213137610.db2.gz XEBFDZIHOGCNLX-UHFFFAOYSA-N 0 0 329.646 4.957 10 0 EJAERN O=C(c1c[nH]c2ccc(Br)cc12)c1cccc(Cl)c1 ZINC000037364175 213141900 /nfs/dbraw/zinc/14/19/00/213141900.db2.gz OEYYILISIHZIPK-UHFFFAOYSA-N 0 0 334.600 4.815 10 0 EJAERN Cc1ccc(N=c2oc3ccccc3nc2Nc2ccc(C)cc2)cc1 ZINC000106071991 219609979 /nfs/dbraw/zinc/60/99/79/219609979.db2.gz QBBQXGWTAWEVJG-GYHWCHFESA-N 0 0 341.414 4.843 10 0 EJAERN Cc1ccc(Oc2cccc(F)c2[C@H](C)O)c(Br)c1 ZINC000035632431 213043701 /nfs/dbraw/zinc/04/37/01/213043701.db2.gz MADPMGGZWFTWIO-JTQLQIEISA-N 0 0 325.177 4.742 10 0 EJAERN CN(C)c1ccc(Br)cc1NCc1ccc(Cl)cc1 ZINC000035046187 213005220 /nfs/dbraw/zinc/00/52/20/213005220.db2.gz FMMMABIMSGVBIA-UHFFFAOYSA-N 0 0 339.664 4.781 10 0 EJAERN CCOC(=O)[C@@H](C)c1ccc2c(c1)N=C(c1ccc(Cl)cc1)CO2 ZINC000033890734 212967280 /nfs/dbraw/zinc/96/72/80/212967280.db2.gz DCJFFSZTRFMEAT-LBPRGKRZSA-N 0 0 343.810 4.520 10 0 EJAERN CCCOC(=O)c1ccc(NC(=O)/C=C\c2cccc(Cl)c2)cc1 ZINC000033519476 212949045 /nfs/dbraw/zinc/94/90/45/212949045.db2.gz HMHXRQMTPKDYRL-WDZFZDKYSA-N 0 0 343.810 4.559 10 0 EJAERN Cc1cccc2c(C)cc(=O)n(CCOc3ccc(C(C)(C)C)cc3)c12 ZINC000032530560 212808896 /nfs/dbraw/zinc/80/88/96/212808896.db2.gz QWEPLZCXPWTUNR-UHFFFAOYSA-N 0 0 349.474 4.995 10 0 EJAERN O=C(CSc1ccc(Br)cc1)c1cccc(F)c1 ZINC000035018487 202285654 /nfs/dbraw/zinc/28/56/54/202285654.db2.gz XZEIZFMXEZOSBE-UHFFFAOYSA-N 0 0 325.202 4.563 10 0 EJAERN Nc1ccc(SCc2ccc(Br)cc2F)c(F)c1 ZINC000035056814 202286325 /nfs/dbraw/zinc/28/63/25/202286325.db2.gz KHRCLTJQXSKIGR-UHFFFAOYSA-N 0 0 330.197 4.602 10 0 EJAERN COc1ccc(Cl)cc1C(=O)Cc1cccc(Br)c1 ZINC000072188008 216068340 /nfs/dbraw/zinc/06/83/40/216068340.db2.gz WTOWUAOLIRIDAP-UHFFFAOYSA-N 0 0 339.616 4.537 10 0 EJAERN Cc1ccc(CNc2nc(N3CCCCCC3)nc3ccccc32)cc1 ZINC000072260681 216085836 /nfs/dbraw/zinc/08/58/36/216085836.db2.gz NFIAGYPVUZUKFY-UHFFFAOYSA-N 0 0 346.478 4.931 10 0 EJAERN COc1ccc(Nc2nc(N3CCC(C)CC3)nc3ccccc32)cc1 ZINC000072261070 216085939 /nfs/dbraw/zinc/08/59/39/216085939.db2.gz FCYWNYOLQTTWSX-UHFFFAOYSA-N 0 0 348.450 4.618 10 0 EJAERN Cc1ccc([C@H](C)N(C)C(=O)c2csc(Br)c2)s1 ZINC000037845933 202371055 /nfs/dbraw/zinc/37/10/55/202371055.db2.gz OSOHFVMHMNCRIY-VIFPVBQESA-N 0 0 344.299 4.714 10 0 EJAERN Clc1ccc(-c2cn3nc(Br)sc3n2)cc1Cl ZINC000036939252 213126365 /nfs/dbraw/zinc/12/63/65/213126365.db2.gz NOJQAKUZVQRLNP-UHFFFAOYSA-N 0 0 349.040 4.527 10 0 EJAERN Cc1ccc(Cl)cc1Nc1ncnc(NC2CCCCC2)c1N ZINC000040704779 202460234 /nfs/dbraw/zinc/46/02/34/202460234.db2.gz UFJBTHJBEAKYBR-UHFFFAOYSA-N 0 0 331.851 4.509 10 0 EJAERN Cc1ccc(Sc2ncnc(Nc3cc(C)cc(C)c3)c2N)cc1 ZINC000040682036 202458318 /nfs/dbraw/zinc/45/83/18/202458318.db2.gz IXARAVLPMYICBH-UHFFFAOYSA-N 0 0 336.464 4.879 10 0 EJAERN COc1c(Br)cc(Cl)cc1NCCc1ccccc1 ZINC000036981725 213128371 /nfs/dbraw/zinc/12/83/71/213128371.db2.gz PABOQYHHKMLXRJ-UHFFFAOYSA-N 0 0 340.648 4.766 10 0 EJAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)c1ccccc1Br ZINC000037342373 213140867 /nfs/dbraw/zinc/14/08/67/213140867.db2.gz FZSWXDYHBIGCHB-WBMJQRKESA-N 0 0 325.246 4.617 10 0 EJAERN Cc1ccccc1/C=C/c1ccnc(N2CCc3ccccc3C2)n1 ZINC000072443612 216236411 /nfs/dbraw/zinc/23/64/11/216236411.db2.gz LYQQGWDEWNAYAW-ZHACJKMWSA-N 0 0 327.431 4.518 10 0 EJAERN Cc1ccc(-c2nc3nccc(-c4ccc5ccccc5c4)n3n2)cc1 ZINC000072451530 216240073 /nfs/dbraw/zinc/24/00/73/216240073.db2.gz LORHOMPUUUEHBP-UHFFFAOYSA-N 0 0 336.398 4.920 10 0 EJAERN Cc1nn(-c2cccc(F)c2)cc1-c1ccnc(Nc2ccccc2)n1 ZINC000072462081 216243498 /nfs/dbraw/zinc/24/34/98/216243498.db2.gz VHRDTXALMRGFTO-UHFFFAOYSA-N 0 0 345.381 4.520 10 0 EJAERN Cn1c2ccccc2nc(C=C(c2ccccc2)c2ccccc2)c1=O ZINC000196457278 241034564 /nfs/dbraw/zinc/03/45/64/241034564.db2.gz XMRMLRQNJYMXQF-UHFFFAOYSA-N 0 0 338.410 4.522 10 0 EJAERN Cc1cc2nc(Cc3ccccc3)c(-c3ccc(Cl)cc3)c(N)n2n1 ZINC000211796610 241085004 /nfs/dbraw/zinc/08/50/04/241085004.db2.gz BPXSXCLDAZZBPJ-UHFFFAOYSA-N 0 0 348.837 4.531 10 0 EJAERN Cc1cc2nc(C(F)(F)F)c(-c3ccc(C(C)(C)C)cc3)c(N)n2n1 ZINC000211797054 241085657 /nfs/dbraw/zinc/08/56/57/241085657.db2.gz SUEXLNBBVBLMHD-UHFFFAOYSA-N 0 0 348.372 4.603 10 0 EJAERN CC(=O)C(c1ccccc1)(c1ccccc1)c1cccc(N(C)C)c1 ZINC000215759137 241143406 /nfs/dbraw/zinc/14/34/06/241143406.db2.gz AHPUXTNYTKGZNM-UHFFFAOYSA-N 0 0 329.443 4.676 10 0 EJAERN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(Br)n1 ZINC000217024354 241234444 /nfs/dbraw/zinc/23/44/44/241234444.db2.gz YFLGFBOMQLCBMH-UHFFFAOYSA-N 0 0 337.526 4.578 10 0 EJAERN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2)cc1 ZINC000000503017 201481068 /nfs/dbraw/zinc/48/10/68/201481068.db2.gz VMZXVCPNKQSEOB-UHFFFAOYSA-N 0 0 346.883 4.764 10 0 EJAERN Fc1cccc(Cl)c1CNc1ccc(Br)cc1F ZINC000021788167 212250348 /nfs/dbraw/zinc/25/03/48/212250348.db2.gz VAEATBZBLDMEMW-UHFFFAOYSA-N 0 0 332.575 4.993 10 0 EJAERN CC(=O)Oc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000021025185 212200573 /nfs/dbraw/zinc/20/05/73/212200573.db2.gz CMFLEESLHFBEET-UHFFFAOYSA-N 0 0 331.371 4.531 10 0 EJAERN COc1ccccc1[C@H](c1ccc(Cl)cc1)n1nnc2ccccc21 ZINC000005362006 201648433 /nfs/dbraw/zinc/64/84/33/201648433.db2.gz DQFZZPKVUAIPJH-FQEVSTJZSA-N 0 0 349.821 4.731 10 0 EJAERN Nc1c(Br)cccc1-c1nc2cc(Cl)ccc2s1 ZINC000062826664 202802462 /nfs/dbraw/zinc/80/24/62/202802462.db2.gz AHLRWVIDPDLACM-UHFFFAOYSA-N 0 0 339.645 4.961 10 0 EJAERN Cc1ccc(OCC(=O)c2cccc(Cl)c2)c(Br)c1 ZINC000070131956 203072725 /nfs/dbraw/zinc/07/27/25/203072725.db2.gz PRPNBZFAOJDEGM-UHFFFAOYSA-N 0 0 339.616 4.673 10 0 EJAERN Ic1ccc(N[C@H]2CCCc3ccccc32)cc1 ZINC000020477236 212135515 /nfs/dbraw/zinc/13/55/15/212135515.db2.gz ZDFCQIDMAJGODN-INIZCTEOSA-N 0 0 349.215 4.781 10 0 EJAERN Cc1ccc([C@@H](C)Nc2cccc(I)c2)cc1 ZINC000020479063 212135656 /nfs/dbraw/zinc/13/56/56/212135656.db2.gz FMNMLYAVPPMQDN-GFCCVEGCSA-N 0 0 337.204 4.773 10 0 EJAERN CC(=O)Nc1ccc([C@@H](C)C(=O)Nc2ccc(C(C)C)s2)cc1 ZINC000255984271 244056563 /nfs/dbraw/zinc/05/65/63/244056563.db2.gz KWBNXVYYUVQAOY-GFCCVEGCSA-N 0 0 330.453 4.572 10 0 EJAERN CCSc1nc2nccc(-c3ccc(-c4ccccc4)cc3)n2n1 ZINC000072439820 203225048 /nfs/dbraw/zinc/22/50/48/203225048.db2.gz AFLCJFFDOOTUJS-UHFFFAOYSA-N 0 0 332.432 4.570 10 0 EJAERN Cc1cc(N[C@@H](C)c2nc3ccccc3n2C)ccc1Br ZINC000019908147 212082341 /nfs/dbraw/zinc/08/23/41/212082341.db2.gz QJZJIFAGCYZGHQ-LBPRGKRZSA-N 0 0 344.256 4.817 10 0 EJAERN CC(=O)c1cc(F)ccc1Oc1ccc(F)cc1Br ZINC000019871411 212077092 /nfs/dbraw/zinc/07/70/92/212077092.db2.gz UQOMSRADJRCKFO-UHFFFAOYSA-N 0 0 327.124 4.722 10 0 EJAERN Cc1ccc(C)c(Cn2c3cc(Cl)c(Cl)cc3nc2CO)c1 ZINC000076556491 203358522 /nfs/dbraw/zinc/35/85/22/203358522.db2.gz UKIMVFUGFJQZJH-UHFFFAOYSA-N 0 0 335.234 4.501 10 0 EJAERN Fc1ccc(Oc2ccc(Br)cn2)c(Br)c1 ZINC000019518867 212036353 /nfs/dbraw/zinc/03/63/53/212036353.db2.gz IKNWYCJXCACNOF-UHFFFAOYSA-N 0 0 346.981 4.538 10 0 EJAERN CC(C)[C@@H]1CCC(=O)[C@H](Cc2ccc(Br)cc2F)C1 ZINC000103940141 204090952 /nfs/dbraw/zinc/09/09/52/204090952.db2.gz OXBGJBAGZIPVMH-YPMHNXCESA-N 0 0 327.237 4.772 10 0 EJAERN CCc1c(Cl)ncnc1Sc1cccc(Br)c1 ZINC000104212563 204101184 /nfs/dbraw/zinc/10/11/84/204101184.db2.gz LXCIUPPFAWTVRT-UHFFFAOYSA-N 0 0 329.650 4.606 10 0 EJAERN C[C@@H](O)c1ccccc1N[C@@H](C)c1sccc1Br ZINC000049543121 214015168 /nfs/dbraw/zinc/01/51/68/214015168.db2.gz KXRQGTITYSJJLT-VHSXEESVSA-N 0 0 326.259 4.737 10 0 EJAERN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC(=O)[C@]4(C)[C@H]3CC[C@]12C ZINC000118912686 204614422 /nfs/dbraw/zinc/61/44/22/204614422.db2.gz VRKZRMXFPPHWKJ-HAFCSRAXSA-N 0 0 332.484 4.530 10 0 EJAERN C[C@H](NC(=O)Cc1c(F)cccc1Cl)c1cccc(Cl)c1 ZINC000016018223 211876514 /nfs/dbraw/zinc/87/65/14/211876514.db2.gz FTIGIKHYWNSYAB-JTQLQIEISA-N 0 0 326.198 4.552 10 0 EJAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000013464193 211561483 /nfs/dbraw/zinc/56/14/83/211561483.db2.gz JZLMMQSLSDGJJE-RCBQFDQVSA-N 0 0 327.390 4.896 10 0 EJAERN CC(C)(C)OC(=O)n1ccc2cc(C[C@@H](O)C3CCCCC3)ccc21 ZINC000089208941 217775302 /nfs/dbraw/zinc/77/53/02/217775302.db2.gz NTRNWRNNDPTWHL-LJQANCHMSA-N 0 0 343.467 4.908 10 0 EJAERN c1c[nH]c(CN2CCc3c4ccccc4[nH]c3[C@@H]2C2CCCCC2)n1 ZINC000012444749 211385425 /nfs/dbraw/zinc/38/54/25/211385425.db2.gz FGRGUJPSVCNTFV-NRFANRHFSA-N 0 0 334.467 4.571 10 0 EJAERN Cc1c(C(=O)OC(C)C)sc2ncnc(Nc3ccc(C)cc3)c12 ZINC000012084664 211288358 /nfs/dbraw/zinc/28/83/58/211288358.db2.gz BRVZWCDIBFOCSN-UHFFFAOYSA-N 0 0 341.436 4.617 10 0 EJAERN Cc1ccccc1Oc1ccc(I)cc1F ZINC000091690844 218048375 /nfs/dbraw/zinc/04/83/75/218048375.db2.gz JOJLWNYFONUUJQ-UHFFFAOYSA-N 0 0 328.124 4.531 10 0 EJAERN C[C@@H](OCCC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccco1 ZINC000095089504 218279061 /nfs/dbraw/zinc/27/90/61/218279061.db2.gz SQDPPQLQBDSNCD-CVEARBPZSA-N 0 0 337.460 4.927 10 0 EJAERN CC(C)(O)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000008785924 211007410 /nfs/dbraw/zinc/00/74/10/211007410.db2.gz CMCAGEWYGKERCU-UHFFFAOYSA-N 0 0 335.234 4.619 10 0 EJAERN COC(=O)c1sc(SC)c(-c2ccccc2)c1-n1cccc1 ZINC000095933065 218450697 /nfs/dbraw/zinc/45/06/97/218450697.db2.gz WYYIEFPBBGALAG-UHFFFAOYSA-N 0 0 329.446 4.714 10 0 EJAERN Cc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2C)c1 ZINC000006815873 210720228 /nfs/dbraw/zinc/72/02/28/210720228.db2.gz MOVJVDNUUBKRJM-OAQYLSRUSA-N 0 0 345.446 4.742 10 0 EJAERN C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000006335840 210620611 /nfs/dbraw/zinc/62/06/11/210620611.db2.gz LAPXGIBOPWLONT-NSHDSACASA-N 0 0 341.760 4.779 10 0 EJAERN C[C@@H]1c2ccccc2O[C@@H]1c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 ZINC000299752055 258007071 /nfs/dbraw/zinc/00/70/71/258007071.db2.gz SOMBAGLBFCGAKL-SKSLQVBQSA-N 0 0 348.402 4.552 10 0 EJAERN CC(=O)Oc1ccc2c(c1)OC(C)(C)C(c1ccc(F)cc1)=C2C ZINC000001639545 560183219 /nfs/dbraw/zinc/18/32/19/560183219.db2.gz HAPOCDJXLNLUQM-UHFFFAOYSA-N 0 0 326.367 4.853 10 0 in-vitro EJAERN CC(C)CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO ZINC000005757968 560202878 /nfs/dbraw/zinc/20/28/78/560202878.db2.gz NYBWZWSQGCROAE-IBGZPJMESA-N 0 0 344.536 4.610 10 0 in-vitro EJAERN O=C(Nc1ccc(Br)cc1)Sc1nc2ccccc2[nH]1 ZINC000000389395 563303792 /nfs/dbraw/zinc/30/37/92/563303792.db2.gz LPILOMOJORRSIL-UHFFFAOYSA-N 0 0 348.225 4.650 10 0 EJAERN O=C(/C=C/c1ccc(Br)cc1)Nc1ccccc1Cl ZINC000006336779 563565188 /nfs/dbraw/zinc/56/51/88/563565188.db2.gz BZIIWOBDYOHAGW-JXMROGBWSA-N 0 0 336.616 4.754 10 0 EJAERN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)Cc1cccs1 ZINC000006407531 563567603 /nfs/dbraw/zinc/56/76/03/563567603.db2.gz DHSZGWRVBKZKJO-UHFFFAOYSA-N 0 0 347.443 4.781 10 0 EJAERN CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C2 ZINC000012384187 563659757 /nfs/dbraw/zinc/65/97/57/563659757.db2.gz NGJIKNUKAYRYJI-RMLVOYDJSA-N 0 0 326.267 4.938 10 0 EJAERN O=c1c2ccc(OCc3ccccc3)cc2occ1-c1ccc(O)cc1 ZINC000013555059 563701500 /nfs/dbraw/zinc/70/15/00/563701500.db2.gz BUGRUMLINLUCCV-UHFFFAOYSA-N 0 0 344.366 4.745 10 0 EJAERN Cc1cc(Br)cn2cc(-c3ccc(Cl)s3)nc12 ZINC000129846118 563961677 /nfs/dbraw/zinc/96/16/77/563961677.db2.gz CROAMDBXPCUHNP-UHFFFAOYSA-N 0 0 327.634 4.787 10 0 EJAERN CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(N)cc2)CC1 ZINC000100542571 563982663 /nfs/dbraw/zinc/98/26/63/563982663.db2.gz XMGCWNYNENGZEL-GLRZTSSQSA-N 0 0 342.870 4.721 10 0 EJAERN Cc1ccccc1CSc1nnc(NC(=O)CC(C)(C)C)s1 ZINC000006735368 564096629 /nfs/dbraw/zinc/09/66/29/564096629.db2.gz MKXOQJRKKMSVFQ-UHFFFAOYSA-N 0 0 335.498 4.514 10 0 EJAERN COc1cccc2cc([C@@H](C)Nc3cccc(N(C)C(C)=O)c3)oc21 ZINC000170592477 564108923 /nfs/dbraw/zinc/10/89/23/564108923.db2.gz DNXGYTWBVVKAMI-CYBMUJFWSA-N 0 0 338.407 4.597 10 0 EJAERN O=C(C[C@H](CCc1ccccc1)c1c[nH]c2ccccc21)N1CCCC1 ZINC000096275374 564146203 /nfs/dbraw/zinc/14/62/03/564146203.db2.gz NZTPQLLOBGFVJC-IBGZPJMESA-N 0 0 346.474 4.897 10 0 EJAERN CC[C@H](C)[C@H](C)C(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960572 564177156 /nfs/dbraw/zinc/17/71/56/564177156.db2.gz SDERAKSSXJDGLE-HOTGVXAUSA-N 0 0 333.472 4.675 10 0 EJAERN CC[C@H](C)[C@@H](C)C(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960574 564177170 /nfs/dbraw/zinc/17/71/70/564177170.db2.gz SDERAKSSXJDGLE-JKSUJKDBSA-N 0 0 333.472 4.675 10 0 EJAERN C[C@@H](O)c1cc(Cl)ccc1OCc1ccccc1Br ZINC000050211135 214050298 /nfs/dbraw/zinc/05/02/98/214050298.db2.gz XJVROORXUPMZQK-SNVBAGLBSA-N 0 0 341.632 4.735 10 0 EJAERN CCNc1ccc(COc2ccc(Cl)cc2Br)cn1 ZINC000050831300 214071920 /nfs/dbraw/zinc/07/19/20/214071920.db2.gz DWWYRXLNUOOKCZ-UHFFFAOYSA-N 0 0 341.636 4.508 10 0 EJAERN CCc1ccc([C@H](NC)c2cc(Br)ccc2Cl)o1 ZINC000051727025 214101852 /nfs/dbraw/zinc/10/18/52/214101852.db2.gz OUCPLCRXSWHMTH-CQSZACIVSA-N 0 0 328.637 4.567 10 0 EJAERN COc1ccccc1Nc1ccnc2cc(Br)ccc21 ZINC000054202296 214223682 /nfs/dbraw/zinc/22/36/82/214223682.db2.gz KEZRQUUNGGMRRC-UHFFFAOYSA-N 0 0 329.197 4.750 10 0 EJAERN CCCCCNC(=O)/C=C/c1ccc(OCCCC)c(OCC)c1 ZINC000054624520 214246588 /nfs/dbraw/zinc/24/65/88/214246588.db2.gz NHDQVKQTINIMHV-ACCUITESSA-N 0 0 333.472 4.584 10 0 EJAERN O[C@H](Cc1ccc(Br)s1)c1cccc2ccccc21 ZINC000054438684 214238736 /nfs/dbraw/zinc/23/87/36/214238736.db2.gz NGJNQEFTXWPAQM-OAHLLOKOSA-N 0 0 333.250 4.940 10 0 EJAERN C/C=C\c1cc2c(c(OC)c1)O[C@@H](c1ccc(O)c(OC)c1)[C@H]2C ZINC000004683188 210246840 /nfs/dbraw/zinc/24/68/40/210246840.db2.gz ITDOFWOJEDZPCF-FZWBUAPGSA-N 0 0 326.392 4.680 10 0 EJAERN CCNC(=O)c1ccc2c(c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000004675973 210244607 /nfs/dbraw/zinc/24/46/07/210244607.db2.gz YZLBMKFWNDFUGQ-MEQDMEQOSA-N 0 0 346.474 4.733 10 0 EJAERN COc1ccc(-c2cn3cc(-c4ccc(Cl)cc4)nc3n2C)cc1 ZINC000004678602 210244315 /nfs/dbraw/zinc/24/43/15/210244315.db2.gz RFQCEWOCKPTAGM-UHFFFAOYSA-N 0 0 337.810 4.669 10 0 EJAERN Cc1cc(N)sc1-c1nc2cc(Br)ccc2s1 ZINC000101600706 219143902 /nfs/dbraw/zinc/14/39/02/219143902.db2.gz MEPBVVMOPLDCNU-UHFFFAOYSA-N 0 0 325.256 4.678 10 0 EJAERN CC(=O)OC1=C(c2ccccc2)Sc2ccccc2-n2cccc21 ZINC000013739852 201913010 /nfs/dbraw/zinc/91/30/10/201913010.db2.gz VTGMQPSNHKUDSJ-UHFFFAOYSA-N 0 0 333.412 4.972 10 0 EJAERN Brc1cccc(Nc2ncnc3c4ccccc4oc32)c1 ZINC000003815383 210076486 /nfs/dbraw/zinc/07/64/86/210076486.db2.gz IBILPMVWJIFCOY-UHFFFAOYSA-N 0 0 340.180 4.882 10 0 EJAERN S=C1CC(c2cccc(Br)c2)=Nc2ccccc2N1 ZINC000003651519 210072603 /nfs/dbraw/zinc/07/26/03/210072603.db2.gz WKLCRCKTSIBQSL-UHFFFAOYSA-N 0 0 331.238 4.713 10 0 EJAERN Cc1ccc(O)c([C@@H](CC(=O)NC2CCCCC2)c2ccccc2)c1 ZINC000003616002 210067793 /nfs/dbraw/zinc/06/77/93/210067793.db2.gz HFQFFTBBMFPMGN-IBGZPJMESA-N 0 0 337.463 4.672 10 0 EJAERN Cc1sc2ncnc(Oc3cccc(Br)c3)c2c1C ZINC000003568454 210057539 /nfs/dbraw/zinc/05/75/39/210057539.db2.gz ZRRUGBKCAUHBKI-UHFFFAOYSA-N 0 0 335.226 4.863 10 0 EJAERN CC[C@H]1CCCC[C@@H]1OCCOc1ccc(Br)cc1 ZINC000103982645 219335934 /nfs/dbraw/zinc/33/59/34/219335934.db2.gz GFGZUIWLDMLZIA-BBRMVZONSA-N 0 0 327.262 4.813 10 0 EJAERN CN(Cc1cccc(Cl)c1)Cc1ccc(F)cc1Br ZINC000103984118 219335940 /nfs/dbraw/zinc/33/59/40/219335940.db2.gz VAGYQJXUUWMBOK-UHFFFAOYSA-N 0 0 342.639 4.874 10 0 EJAERN Nc1cc(-c2ccccc2)nc2c(Cl)cc(Br)cc12 ZINC000104009914 219338748 /nfs/dbraw/zinc/33/87/48/219338748.db2.gz MPBNFIFFVIHDRL-UHFFFAOYSA-N 0 0 333.616 4.900 10 0 EJAERN CCNc1c2cc(Br)cc(Cl)c2nc(C)c1CC ZINC000104009929 219339137 /nfs/dbraw/zinc/33/91/37/219339137.db2.gz FOYLFKOVTWIRJP-UHFFFAOYSA-N 0 0 327.653 4.953 10 0 EJAERN Fc1ccc(OCCNc2ccc(Cl)cc2)c(Br)c1 ZINC000104016540 219339563 /nfs/dbraw/zinc/33/95/63/219339563.db2.gz BKBIBSVXWISLFR-UHFFFAOYSA-N 0 0 344.611 4.733 10 0 EJAERN CCCC[C@@H](CC)CO[C@H](C[NH3+])c1ccccc1Br ZINC000103970491 219333911 /nfs/dbraw/zinc/33/39/11/219333911.db2.gz MULKEEUBOYDYNP-CZUORRHYSA-N 0 0 328.294 4.682 10 0 EJAERN CC(C)Oc1ncccc1N[C@@H](C)c1sccc1Br ZINC000103968112 219334180 /nfs/dbraw/zinc/33/41/80/219334180.db2.gz YJUYQFJNIWRBGY-JTQLQIEISA-N 0 0 341.274 4.866 10 0 EJAERN CCNc1cc(C(C)(C)C)nc(-c2ccc(Br)s2)n1 ZINC000103976179 219335341 /nfs/dbraw/zinc/33/53/41/219335341.db2.gz ICLXECPHHDIPCB-UHFFFAOYSA-N 0 0 340.290 4.697 10 0 EJAERN COc1ccc(Br)cc1[C@H](O)C[C@@H](C)CC(C)(C)C ZINC000104040817 219341719 /nfs/dbraw/zinc/34/17/19/219341719.db2.gz LYBBKYLAPHNJMK-BXUZGUMPSA-N 0 0 329.278 4.954 10 0 EJAERN Cc1cc(Br)ccc1Oc1cccc(Cl)c1CO ZINC000104163111 219354544 /nfs/dbraw/zinc/35/45/44/219354544.db2.gz WECLAELVBXJFCV-UHFFFAOYSA-N 0 0 327.605 4.696 10 0 EJAERN Cc1ccc2c(ccn2CC(=O)c2ccc(Br)s2)c1 ZINC000104153529 219354571 /nfs/dbraw/zinc/35/45/71/219354571.db2.gz LEOIORKUMNQLQQ-UHFFFAOYSA-N 0 0 334.238 4.657 10 0 EJAERN Cc1cc(C)c2nccc(NC(=O)c3cc(C)nc4ccccc43)c2c1 ZINC000041057108 213411682 /nfs/dbraw/zinc/41/16/82/213411682.db2.gz NPMBCUVAACNQHD-UHFFFAOYSA-N 0 0 341.414 4.961 10 0 EJAERN Nc1cc(Br)cnc1Sc1ccc2ccccc2c1 ZINC000104179804 219355695 /nfs/dbraw/zinc/35/56/95/219355695.db2.gz NAYOPKFYJNDODK-UHFFFAOYSA-N 0 0 331.238 4.731 10 0 EJAERN O=C(Nc1ccnc2c1cccc2C(F)(F)F)c1ccc(F)cc1 ZINC000041057625 213411272 /nfs/dbraw/zinc/41/12/72/213411272.db2.gz LSSKZRGXWVGFFF-UHFFFAOYSA-N 0 0 334.272 4.645 10 0 EJAERN CC(C)c1c(Cl)ncnc1Nc1ccc(Br)cc1F ZINC000104206974 219361190 /nfs/dbraw/zinc/36/11/90/219361190.db2.gz NGRNYBPYXGOZDY-UHFFFAOYSA-N 0 0 344.615 4.899 10 0 EJAERN Nc1ccc(Nc2ccc(F)cc2Br)c(C(F)F)c1 ZINC000104206876 219360846 /nfs/dbraw/zinc/36/08/46/219360846.db2.gz MLIGQYGOIJJMLM-UHFFFAOYSA-N 0 0 331.135 4.852 10 0 EJAERN CCOc1ccc(CCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000041000012 213406785 /nfs/dbraw/zinc/40/67/85/213406785.db2.gz JLNPKSXFIZNISE-UHFFFAOYSA-N 0 0 347.842 4.627 10 0 EJAERN Cc1ccc(-c2c(N)onc2-c2sccc2Br)cc1 ZINC000104301289 219373370 /nfs/dbraw/zinc/37/33/70/219373370.db2.gz RRHOGEOULPGRTK-UHFFFAOYSA-N 0 0 335.226 4.723 10 0 EJAERN Cc1nc(C)c([C@H](C)Nc2ccc(F)cc2Br)s1 ZINC000104327087 219374600 /nfs/dbraw/zinc/37/46/00/219374600.db2.gz ITYCTYGTDCLEKX-QMMMGPOBSA-N 0 0 329.238 4.835 10 0 EJAERN COc1ccc(C(=O)Oc2ccc(C)cc2C(C)(C)C)cc1OC ZINC000040883255 213397315 /nfs/dbraw/zinc/39/73/15/213397315.db2.gz OJNSNMXEQFHVGA-UHFFFAOYSA-N 0 0 328.408 4.529 10 0 EJAERN CCOc1ccc(/C=C/C(=O)Oc2ccc(C(C)C)cc2)cc1OC ZINC000040853022 213393790 /nfs/dbraw/zinc/39/37/90/213393790.db2.gz BQBPECDYXGEBLP-NTUHNPAUSA-N 0 0 340.419 4.836 10 0 EJAERN CCc1ccc(Oc2ncnc(Nc3ccccc3Cl)c2N)cc1 ZINC000040781370 213385610 /nfs/dbraw/zinc/38/56/10/213385610.db2.gz OBOWSYXEHLVIRY-UHFFFAOYSA-N 0 0 340.814 4.811 10 0 EJAERN Nc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1Oc1ccccc1 ZINC000040796095 213387296 /nfs/dbraw/zinc/38/72/96/213387296.db2.gz JESRZPOSWKEBLC-UHFFFAOYSA-N 0 0 346.312 4.614 10 0 EJAERN Cc1ccc(Oc2ncnc(Nc3ccc(F)c(Cl)c3)c2N)cc1 ZINC000040796232 213387067 /nfs/dbraw/zinc/38/70/67/213387067.db2.gz DUGPYKXLDMKGEL-UHFFFAOYSA-N 0 0 344.777 4.696 10 0 EJAERN Cc1ccc(Nc2ncnc(Nc3cccc(C)c3C)c2N)c(C)c1 ZINC000040755011 213383795 /nfs/dbraw/zinc/38/37/95/213383795.db2.gz IKHLXEJAFPKGJH-UHFFFAOYSA-N 0 0 333.439 4.780 10 0 EJAERN Nc1c(Nc2cccc3ccccc32)ncnc1OC1CCCCC1 ZINC000040759080 213382619 /nfs/dbraw/zinc/38/26/19/213382619.db2.gz KFOHLCMLJFALKH-UHFFFAOYSA-N 0 0 334.423 4.667 10 0 EJAERN Cc1ccc2cccc(Oc3ncnc(Oc4ccccc4)c3N)c2n1 ZINC000040752350 213382262 /nfs/dbraw/zinc/38/22/62/213382262.db2.gz FGCMKTAAMISVPI-UHFFFAOYSA-N 0 0 344.374 4.500 10 0 EJAERN Cc1ccc(Sc2ncnc(N(CC(C)C)CC(C)C)c2N)cc1 ZINC000040735706 213378714 /nfs/dbraw/zinc/37/87/14/213378714.db2.gz AAFGDOUCDCHWQR-UHFFFAOYSA-N 0 0 344.528 4.637 10 0 EJAERN CC[C@H]1CCCC[C@@H]1Oc1ccc(Br)cc1[C@H](C)O ZINC000104387059 219383751 /nfs/dbraw/zinc/38/37/51/219383751.db2.gz RQZZTAIJYGAAKY-HUBLWGQQSA-N 0 0 327.262 4.850 10 0 EJAERN CC(C)c1ccc(Nc2ncnc(N3CCc4ccccc43)c2N)cc1 ZINC000040687274 213369889 /nfs/dbraw/zinc/36/98/89/213369889.db2.gz DNVRBWPOGGJSLL-UHFFFAOYSA-N 0 0 345.450 4.620 10 0 EJAERN Cc1cc(Cl)ccc1Nc1ncnc(NC2CCCCCC2)c1N ZINC000040703463 213371864 /nfs/dbraw/zinc/37/18/64/213371864.db2.gz DTACWTXYIHIUGS-UHFFFAOYSA-N 0 0 345.878 4.899 10 0 EJAERN Cc1ccc(Cl)cc1Nc1ncnc(Nc2ccccc2)c1N ZINC000040704924 213371660 /nfs/dbraw/zinc/37/16/60/213371660.db2.gz ZVRCLBFFSMULHW-UHFFFAOYSA-N 0 0 325.803 4.508 10 0 EJAERN Cc1c(Cl)cccc1Nc1ncnc(NC2CCCCC2)c1N ZINC000040701489 213371727 /nfs/dbraw/zinc/37/17/27/213371727.db2.gz LNDCCIPBVNTHRC-UHFFFAOYSA-N 0 0 331.851 4.509 10 0 EJAERN Cc1ccc(Nc2ncnc(Nc3ccccc3F)c2N)cc1Cl ZINC000040703664 213371775 /nfs/dbraw/zinc/37/17/75/213371775.db2.gz GMUNRBOLNWNUJL-UHFFFAOYSA-N 0 0 343.793 4.647 10 0 EJAERN CN(c1ccccc1)c1ncnc(Oc2cccc3ccccc32)c1N ZINC000040683141 213368498 /nfs/dbraw/zinc/36/84/98/213368498.db2.gz JOUQHZIDXXSCLJ-UHFFFAOYSA-N 0 0 342.402 4.772 10 0 EJAERN CCN(c1ccccc1)c1ncnc(Nc2ccc(C)c(C)c2)c1N ZINC000040679430 213368244 /nfs/dbraw/zinc/36/82/44/213368244.db2.gz GAMBTUICQAMOAK-UHFFFAOYSA-N 0 0 333.439 4.577 10 0 EJAERN Nc1c(Nc2ccccc2)ncnc1Oc1cccc2ccccc21 ZINC000040683204 213368071 /nfs/dbraw/zinc/36/80/71/213368071.db2.gz USLXLOCUYHIMLX-UHFFFAOYSA-N 0 0 328.375 4.748 10 0 EJAERN Cc1ccc(OCc2nc3cc(C(F)(F)F)ccc3n2C)c(C)c1 ZINC000040410213 213300090 /nfs/dbraw/zinc/30/00/90/213300090.db2.gz SVLSJFQJDFQMRQ-UHFFFAOYSA-N 0 0 334.341 4.788 10 0 EJAERN COCCCn1c(COc2cccc(C)c2)nc2cc(Cl)ccc21 ZINC000040402914 213299111 /nfs/dbraw/zinc/29/91/11/213299111.db2.gz QGSOVRFPJXGLKO-UHFFFAOYSA-N 0 0 344.842 4.614 10 0 EJAERN CCOCCCn1c(Cc2ccccc2)nc2cc(Cl)ccc21 ZINC000040403272 213298668 /nfs/dbraw/zinc/29/86/68/213298668.db2.gz YMGQXJDLHHCWSL-UHFFFAOYSA-N 0 0 328.843 4.707 10 0 EJAERN COCCCn1c(Cc2ccccc2)nc2cc(C(F)(F)F)ccc21 ZINC000040402641 213298701 /nfs/dbraw/zinc/29/87/01/213298701.db2.gz AGPWDRCQKXOMGI-UHFFFAOYSA-N 0 0 348.368 4.682 10 0 EJAERN CCOC(=O)c1cnc2ccc(Cl)cc2c1NNc1ccccc1 ZINC000040308762 213290990 /nfs/dbraw/zinc/29/09/90/213290990.db2.gz JZUZQEZZDMNGDN-UHFFFAOYSA-N 0 0 341.798 4.504 10 0 EJAERN Cc1cc2nc(CO)n(Cc3ccc(Cl)c(Cl)c3)c2cc1C ZINC000040308843 213290843 /nfs/dbraw/zinc/29/08/43/213290843.db2.gz WSEPOVZEZJXZAV-UHFFFAOYSA-N 0 0 335.234 4.501 10 0 EJAERN COc1cccc(-c2nc3ccccc3n2CCc2ccccc2)c1 ZINC000040250122 213285239 /nfs/dbraw/zinc/28/52/39/213285239.db2.gz JDGTZEUMPCZETM-UHFFFAOYSA-N 0 0 328.415 4.955 10 0 EJAERN COc1ccccc1Cn1c2ccccc2nc1-c1ccccc1F ZINC000040250636 213285079 /nfs/dbraw/zinc/28/50/79/213285079.db2.gz MPKSXJTWZASHCW-UHFFFAOYSA-N 0 0 332.378 4.899 10 0 EJAERN CCOCCn1c2ccccc2nc1-c1ccc(Br)cc1 ZINC000040249651 213284848 /nfs/dbraw/zinc/28/48/48/213284848.db2.gz LQTFMQDWUMVPEU-UHFFFAOYSA-N 0 0 345.240 4.502 10 0 EJAERN COCc1nc2ccccc2n1CCCOc1ccc(Cl)c(C)c1 ZINC000040232055 213283582 /nfs/dbraw/zinc/28/35/82/213283582.db2.gz XUPSLLWGKXMUAU-UHFFFAOYSA-N 0 0 344.842 4.614 10 0 EJAERN CCc1nc2ccccc2n1CCOc1cc(C)c(Cl)c(C)c1 ZINC000040227363 213283845 /nfs/dbraw/zinc/28/38/45/213283845.db2.gz JHSDIOBAPMAYID-UHFFFAOYSA-N 0 0 328.843 4.948 10 0 EJAERN O=C(Cn1c2ccccc2nc1-c1ccco1)c1ccc(Cl)cc1 ZINC000040239092 213283881 /nfs/dbraw/zinc/28/38/81/213283881.db2.gz OENRTMGUFZQYPS-UHFFFAOYSA-N 0 0 336.778 4.833 10 0 EJAERN COCCn1c(COc2cc(C)ccc2C(C)C)nc2ccccc21 ZINC000040233618 213283970 /nfs/dbraw/zinc/28/39/70/213283970.db2.gz BCZRPTJPSLOCSA-UHFFFAOYSA-N 0 0 338.451 4.694 10 0 EJAERN Cc1ccccc1OCCCn1c2ccccc2nc1C(F)(F)F ZINC000040231824 213284066 /nfs/dbraw/zinc/28/40/66/213284066.db2.gz VWHRTPZTOQJSOJ-UHFFFAOYSA-N 0 0 334.341 4.833 10 0 EJAERN Cc1c(C(=O)Nc2ccc(C(C)C)cc2)nnn1-c1ccc(C)c(C)c1 ZINC000040179362 213280984 /nfs/dbraw/zinc/28/09/84/213280984.db2.gz MAIBAAQQLQPHHP-UHFFFAOYSA-N 0 0 348.450 4.568 10 0 EJAERN CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)oc2C)cc1 ZINC000040178828 213279426 /nfs/dbraw/zinc/27/94/26/213279426.db2.gz KFDFDIGUAORESK-UHFFFAOYSA-N 0 0 337.350 4.849 10 0 EJAERN CC(C)[C@H]1CC[C@H](C)C[C@@]1(O)Cc1ccc(Br)cc1 ZINC000037529850 202006593 /nfs/dbraw/zinc/00/65/93/202006593.db2.gz NPQPFJPRUQYUJE-IAOVAPTHSA-N 0 0 325.290 4.815 10 0 EJAERN CC(C)(C)C1CCC(O)(Cc2ccc(Br)cc2)CC1 ZINC000037529969 202006729 /nfs/dbraw/zinc/00/67/29/202006729.db2.gz CRNPOOZLEKTMBZ-UHFFFAOYSA-N 0 0 325.290 4.959 10 0 EJAERN CCO[C@@]1(Cc2ccccc2)c2ccccc2C(=O)N1c1ccccc1 ZINC000039630428 213240581 /nfs/dbraw/zinc/24/05/81/213240581.db2.gz IUOKHUBZFNROAG-QHCPKHFHSA-N 0 0 343.426 4.779 10 0 EJAERN Fc1ccc(Br)cc1CNc1cccc(Cl)c1F ZINC000020472487 202044522 /nfs/dbraw/zinc/04/45/22/202044522.db2.gz GXCDFCSMVICZAQ-UHFFFAOYSA-N 0 0 332.575 4.993 10 0 EJAERN CC[C@H](C)C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000021142296 202062259 /nfs/dbraw/zinc/06/22/59/202062259.db2.gz CUPJIHAYZWTGSG-NSHDSACASA-N 0 0 327.815 4.868 10 0 EJAERN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccnc(Cl)c1 ZINC000037978827 202073040 /nfs/dbraw/zinc/07/30/40/202073040.db2.gz OSICIYZBJLKTIA-UHFFFAOYSA-N 0 0 335.112 4.660 10 0 EJAERN COc1cc(Br)cc(C)c1NCc1ccc(Cl)o1 ZINC000037776835 213166613 /nfs/dbraw/zinc/16/66/13/213166613.db2.gz HDAVOEACJPUPMY-UHFFFAOYSA-N 0 0 330.609 4.625 10 0 EJAERN C[C@H]1C[C@H](OCc2c(N)cccc2Br)CC(C)(C)C1 ZINC000037402287 213145124 /nfs/dbraw/zinc/14/51/24/213145124.db2.gz YHAAVCDCCFMBIG-RYUDHWBXSA-N 0 0 326.278 4.763 10 0 EJAERN O=C(c1c[nH]c2ccccc12)c1cc(Br)ccc1Cl ZINC000037287680 213138209 /nfs/dbraw/zinc/13/82/09/213138209.db2.gz ODAJCFAJYZLWDQ-UHFFFAOYSA-N 0 0 334.600 4.815 10 0 EJAERN O=C(c1cc(Br)ccc1Cl)c1c(F)cc(F)cc1F ZINC000037287665 213137195 /nfs/dbraw/zinc/13/71/95/213137195.db2.gz ALKYDBULWPLWKI-UHFFFAOYSA-N 0 0 349.533 4.751 10 0 EJAERN Nc1ccc(SCc2cc(Br)ccc2F)c(F)c1 ZINC000037194574 213135235 /nfs/dbraw/zinc/13/52/35/213135235.db2.gz CPKIKEDMIFIEPJ-UHFFFAOYSA-N 0 0 330.197 4.602 10 0 EJAERN C/C(=C/c1ccccc1)C(=O)Nc1ccc(Br)cc1F ZINC000000466481 209618793 /nfs/dbraw/zinc/61/87/93/209618793.db2.gz PDXBFCFXFKKPHU-LUAWRHEFSA-N 0 0 334.188 4.630 10 0 EJAERN Cc1nc(NC(=O)C(C)C)sc1Cc1ccc(Cl)c(Cl)c1 ZINC000036639357 213106845 /nfs/dbraw/zinc/10/68/45/213106845.db2.gz JUQCJBSAVLYEGV-UHFFFAOYSA-N 0 0 343.279 4.944 10 0 EJAERN Cc1ccc(CCC(=O)Nc2nc(C)c(Cc3ccccc3)s2)o1 ZINC000036639874 213106789 /nfs/dbraw/zinc/10/67/89/213106789.db2.gz GWYDQTGZFSSHCA-UHFFFAOYSA-N 0 0 340.448 4.515 10 0 EJAERN COC(=O)Nc1c(Cl)nsc1-c1cc(Cl)cc(Cl)c1 ZINC000035973677 213052831 /nfs/dbraw/zinc/05/28/31/213052831.db2.gz VEGQTFREQLQGFQ-UHFFFAOYSA-N 0 0 337.615 4.949 10 0 EJAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2Cc1c(F)cccc1Cl ZINC000032530612 202226662 /nfs/dbraw/zinc/22/66/62/202226662.db2.gz FOXPLKJQJGPURJ-UHFFFAOYSA-N 0 0 329.802 4.768 10 0 EJAERN Cc1cc(Nc2ccc(Br)cc2)c2cc(F)ccc2n1 ZINC000032606647 202228750 /nfs/dbraw/zinc/22/87/50/202228750.db2.gz YHAOVDDCWMEFSW-UHFFFAOYSA-N 0 0 331.188 4.610 10 0 EJAERN Nc1c2ncsc2ccc1Nc1ccc(F)cc1Br ZINC000035344560 213022965 /nfs/dbraw/zinc/02/29/65/213022965.db2.gz HFUBGYCSGNUOCH-UHFFFAOYSA-N 0 0 338.205 4.524 10 0 EJAERN COc1ccc(C)cc1NC(=O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000033316705 202257414 /nfs/dbraw/zinc/25/74/14/202257414.db2.gz MJCJNNTYROTKFI-YVMONPNESA-N 0 0 336.218 4.962 10 0 EJAERN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)C2CC2)cc1 ZINC000033115576 202250702 /nfs/dbraw/zinc/25/07/02/202250702.db2.gz RANHCSXBYZLLJZ-JOCHJYFZSA-N 0 0 342.442 4.627 10 0 EJAERN O=C(C1CCC1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907702 212997291 /nfs/dbraw/zinc/99/72/91/212997291.db2.gz PRGVCHYCYNDGLI-IBGZPJMESA-N 0 0 346.430 4.958 10 0 EJAERN O=C(Nc1c(-c2ccccc2)n[nH]c1-c1ccccc1)c1ccccc1 ZINC000034796409 212988445 /nfs/dbraw/zinc/98/84/45/212988445.db2.gz KHNYHAZIRXVRLJ-UHFFFAOYSA-N 0 0 339.398 4.996 10 0 EJAERN Cc1cccc2c(C)cc(=O)n(Cc3ccc(Cl)cc3Cl)c12 ZINC000032530494 212808515 /nfs/dbraw/zinc/80/85/15/212808515.db2.gz VGFMHEZHQXZMAN-UHFFFAOYSA-N 0 0 332.230 4.973 10 0 EJAERN CCCCn1nc(Cc2ccc(SC)cc2)c2ccccc2c1=O ZINC000034821358 202278126 /nfs/dbraw/zinc/27/81/26/202278126.db2.gz QCZMQTAEOZZPJG-UHFFFAOYSA-N 0 0 338.476 4.509 10 0 EJAERN Fc1ccc(Br)cc1CNc1cc(Cl)ccc1F ZINC000035056723 202286606 /nfs/dbraw/zinc/28/66/06/202286606.db2.gz AZCBYEOEHNPTHT-UHFFFAOYSA-N 0 0 332.575 4.993 10 0 EJAERN Brc1nc(C2CCCCC2)c(Br)s1 ZINC000072192945 216068263 /nfs/dbraw/zinc/06/82/63/216068263.db2.gz UTCQEHYCKDXHLB-UHFFFAOYSA-N 0 0 325.069 4.716 10 0 EJAERN C[C@@H](Nc1nc(Nc2cccnc2)nc2ccccc21)c1ccccc1 ZINC000072260993 216085915 /nfs/dbraw/zinc/08/59/15/216085915.db2.gz FBHIRYSVQPFARV-OAHLLOKOSA-N 0 0 341.418 4.942 10 0 EJAERN Cc1ccc(CNc2nc(N3CCC[C@@H](C)C3)nc3ccccc32)cc1 ZINC000072260660 216086021 /nfs/dbraw/zinc/08/60/21/216086021.db2.gz QXBYBPSRVBFESQ-QGZVFWFLSA-N 0 0 346.478 4.787 10 0 EJAERN Nc1cccc(Br)c1CSc1ccc(Cl)cc1 ZINC000037402343 202340232 /nfs/dbraw/zinc/34/02/32/202340232.db2.gz ZMLKVKYRYRXLQP-UHFFFAOYSA-N 0 0 328.662 4.977 10 0 EJAERN C[C@@](O)(Cc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000037530892 202345221 /nfs/dbraw/zinc/34/52/21/202345221.db2.gz MDGPYJUCISNQQL-OAHLLOKOSA-N 0 0 325.633 4.553 10 0 EJAERN C[C@@](O)(Cc1ccccc1Cl)c1cccc(Br)c1 ZINC000037530984 202345516 /nfs/dbraw/zinc/34/55/16/202345516.db2.gz HDRARWVSQZMCEA-OAHLLOKOSA-N 0 0 325.633 4.553 10 0 EJAERN C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(C(C)(C)C)cc1 ZINC000071861969 202355164 /nfs/dbraw/zinc/35/51/64/202355164.db2.gz AVLLOBNABVQOAE-HNNXBMFYSA-N 0 0 334.463 4.885 10 0 EJAERN FC(F)(F)c1ccc(-c2nc(-c3ccccn3)cc(=S)[nH]2)cc1 ZINC000073695459 202371976 /nfs/dbraw/zinc/37/19/76/202371976.db2.gz IVRANQBWXORTET-UHFFFAOYSA-N 0 0 333.338 4.513 10 0 EJAERN CC(C)C[C@@H](C)N(C)C(=O)c1cc(Br)ccc1Cl ZINC000037982954 202382237 /nfs/dbraw/zinc/38/22/37/202382237.db2.gz CLFPRAJXGPXKCR-SNVBAGLBSA-N 0 0 332.669 4.609 10 0 EJAERN Cc1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccccc2)cc1 ZINC000040307234 202433732 /nfs/dbraw/zinc/43/37/32/202433732.db2.gz IMMXURPRFDMDRJ-UHFFFAOYSA-N 0 0 341.414 4.650 10 0 EJAERN CC(C)n1cc(Cl)cc1C(=O)Nc1cccc(Br)c1 ZINC000036857359 213124153 /nfs/dbraw/zinc/12/41/53/213124153.db2.gz ZSJDYNNZHKSAOE-UHFFFAOYSA-N 0 0 341.636 4.737 10 0 EJAERN Cc1ccc(C)c(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)c1 ZINC000040704552 202459922 /nfs/dbraw/zinc/45/99/22/202459922.db2.gz GDWGSNYKDPFAAJ-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN CC[C@H]1CCCC[C@H]1OCC(=O)c1ccccc1Br ZINC000037342376 213140935 /nfs/dbraw/zinc/14/09/35/213140935.db2.gz FZSWXDYHBIGCHB-BLLLJJGKSA-N 0 0 325.246 4.617 10 0 EJAERN O=C(c1ccc(Cl)cc1)c1cc(Br)ccc1Cl ZINC000037287661 213137531 /nfs/dbraw/zinc/13/75/31/213137531.db2.gz JSYQUNUCKIEJDB-UHFFFAOYSA-N 0 0 330.008 4.987 10 0 EJAERN CN(Cc1ccccc1)c1cc(Oc2ccc(Cl)cc2)ncn1 ZINC000037376901 213142381 /nfs/dbraw/zinc/14/23/81/213142381.db2.gz SEMYAEIVKMPZRN-UHFFFAOYSA-N 0 0 325.799 4.559 10 0 EJAERN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2nn(C)c3ccccc23)cc1 ZINC000000118059 209433222 /nfs/dbraw/zinc/43/32/22/209433222.db2.gz UFKHKRYZOJUWJQ-OAHLLOKOSA-N 0 0 335.451 4.514 10 0 EJAERN OCc1ccc(Br)cc1Oc1ccc(F)cc1Cl ZINC000037902333 213172775 /nfs/dbraw/zinc/17/27/75/213172775.db2.gz BSIVXAPMZKLNRC-UHFFFAOYSA-N 0 0 331.568 4.526 10 0 EJAERN C(=C/c1ccnc(N2CCc3ccccc3C2)n1)\C=C/c1ccccc1 ZINC000072443619 216236827 /nfs/dbraw/zinc/23/68/27/216236827.db2.gz AGJHIXVUZFMSPN-ZIDUXJNWSA-N 0 0 339.442 4.766 10 0 EJAERN COc1nc2cccc(Br)c2cc1Cc1ccccc1 ZINC000090555746 201371388 /nfs/dbraw/zinc/37/13/88/201371388.db2.gz ASUNDMLNVNFWMS-UHFFFAOYSA-N 0 0 328.209 4.597 10 0 EJAERN Cc1ccc(C(=O)Nc2c(-c3ccccc3)nc3sccn32)cc1 ZINC000025739318 201378074 /nfs/dbraw/zinc/37/80/74/201378074.db2.gz DBELRPNDVWJCMJ-UHFFFAOYSA-N 0 0 333.416 4.624 10 0 EJAERN NC(=S)c1c(Cl)cccc1Oc1ccc(Br)cc1 ZINC000052908321 202652106 /nfs/dbraw/zinc/65/21/06/202652106.db2.gz CJQQIGJHYTVIBN-UHFFFAOYSA-N 0 0 342.645 4.529 10 0 EJAERN O=C(c1cccs1)N1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000023307036 212368312 /nfs/dbraw/zinc/36/83/12/212368312.db2.gz MGIDNXLDYRTZTQ-LJQANCHMSA-N 0 0 337.419 4.675 10 0 EJAERN CC(=O)Nc1cc2ccc(-c3ccccc3)cc2c(N2CCCCC2)n1 ZINC000211744524 241084079 /nfs/dbraw/zinc/08/40/79/241084079.db2.gz SOPISPBCYCLKNY-UHFFFAOYSA-N 0 0 345.446 4.851 10 0 EJAERN Cc1ccccc1-c1nnc(-c2ccc(NC(=O)CC(C)C)cc2)o1 ZINC000021127893 212210329 /nfs/dbraw/zinc/21/03/29/212210329.db2.gz XFTDOMWPMVWTBA-UHFFFAOYSA-N 0 0 335.407 4.697 10 0 EJAERN Cc1ccc(C)c(NC(=O)COc2ccc(C)cc2C(C)(C)C)c1 ZINC000005542117 201654688 /nfs/dbraw/zinc/65/46/88/201654688.db2.gz JCTDJMZRILGRBU-UHFFFAOYSA-N 0 0 325.452 4.927 10 0 EJAERN COc1cccc(C(=O)Nc2nc3ccc(C(C)(C)C)cc3s2)c1 ZINC000065003061 202823090 /nfs/dbraw/zinc/82/30/90/202823090.db2.gz DNPLYIQBNQKRFA-UHFFFAOYSA-N 0 0 340.448 4.855 10 0 EJAERN Cc1cc(Cl)ccc1OCCOc1cccc(Br)c1 ZINC000070133536 203073806 /nfs/dbraw/zinc/07/38/06/203073806.db2.gz NQVFDOYQHQVYEP-UHFFFAOYSA-N 0 0 341.632 4.869 10 0 EJAERN Cc1ccc(C(=O)COc2ccc(Cl)cc2Br)cc1 ZINC000070133288 203073839 /nfs/dbraw/zinc/07/38/39/203073839.db2.gz HERITJKMMZPLGQ-UHFFFAOYSA-N 0 0 339.616 4.673 10 0 EJAERN Cc1cc([C@@H](C)Nc2cccc(I)c2)c(C)o1 ZINC000020478204 212136086 /nfs/dbraw/zinc/13/60/86/212136086.db2.gz ZWJKOAYQAGPLFX-SNVBAGLBSA-N 0 0 341.192 4.674 10 0 EJAERN CC(C)(C)OC(=O)N(Cc1ccccc1)Cc1cccnc1Cl ZINC000253576496 244024664 /nfs/dbraw/zinc/02/46/64/244024664.db2.gz VXJWFSYWHATARE-UHFFFAOYSA-N 0 0 332.831 4.672 10 0 EJAERN Cc1nc2sc3c(c2c(Nc2ccc(O)cc2)n1)CC[C@H](C)C3 ZINC000020323899 212119562 /nfs/dbraw/zinc/11/95/62/212119562.db2.gz ORHZRWHXCZXXPM-JTQLQIEISA-N 0 0 325.437 4.574 10 0 EJAERN CCOC(=O)c1cccc(Nc2ccnc3c(OCC)cccc23)c1 ZINC000072237116 203184466 /nfs/dbraw/zinc/18/44/66/203184466.db2.gz FTTBOSKUZXKKHW-UHFFFAOYSA-N 0 0 336.391 4.554 10 0 EJAERN Cc1ccc(Nc2nc(N3CCC[C@@H](C)C3)nc3ccccc32)cc1 ZINC000072260468 203186136 /nfs/dbraw/zinc/18/61/36/203186136.db2.gz FILQXZOXLWBPFY-MRXNPFEDSA-N 0 0 332.451 4.918 10 0 EJAERN CC(C)c1ccc(NCC(=O)Nc2cccc(Br)c2)cc1 ZINC000020047428 212098159 /nfs/dbraw/zinc/09/81/59/212098159.db2.gz AMVIUYMKAPFEQO-UHFFFAOYSA-N 0 0 347.256 4.623 10 0 EJAERN COc1ccc(OC)c([C@H](C)Nc2ccccc2Br)c1 ZINC000019922729 212084988 /nfs/dbraw/zinc/08/49/88/212084988.db2.gz FVVBBVYNOQLEDI-NSHDSACASA-N 0 0 336.229 4.639 10 0 EJAERN C[C@H](Nc1ccccc1Br)c1nc2ccccc2n1C ZINC000019922834 212084908 /nfs/dbraw/zinc/08/49/08/212084908.db2.gz IVTQQLXGKGBZHF-NSHDSACASA-N 0 0 330.229 4.509 10 0 EJAERN COc1ccc([C@H](C)Nc2ccccc2Br)cc1OC ZINC000019922882 212084914 /nfs/dbraw/zinc/08/49/14/212084914.db2.gz JSVYJYPIHCNXHS-NSHDSACASA-N 0 0 336.229 4.639 10 0 EJAERN Nc1cc(Cl)ccc1SCc1ccc(Br)cc1 ZINC000019815537 212071614 /nfs/dbraw/zinc/07/16/14/212071614.db2.gz GOVNNMDZEZTLAN-UHFFFAOYSA-N 0 0 328.662 4.977 10 0 EJAERN Nc1cc(Cl)ccc1SCc1ccccc1Br ZINC000019815446 212071726 /nfs/dbraw/zinc/07/17/26/212071726.db2.gz ULPAKRJNFTUVGE-UHFFFAOYSA-N 0 0 328.662 4.977 10 0 EJAERN Cc1ccc(OCCOc2ccc(Br)cc2)c(Cl)c1 ZINC000103971941 204090170 /nfs/dbraw/zinc/09/01/70/204090170.db2.gz LPZKPHUIYBVVKE-UHFFFAOYSA-N 0 0 341.632 4.869 10 0 EJAERN CCCc1c(Cl)ncnc1Sc1ccc(Br)cc1 ZINC000104210762 204102125 /nfs/dbraw/zinc/10/21/25/204102125.db2.gz KTSCFTSLKQHXST-UHFFFAOYSA-N 0 0 343.677 4.996 10 0 EJAERN O[C@@H](Cc1c(F)cccc1Cl)c1cccc(Br)c1 ZINC000049346822 214001140 /nfs/dbraw/zinc/00/11/40/214001140.db2.gz DXKAUDAWMJLDNZ-AWEZNQCLSA-N 0 0 329.596 4.518 10 0 EJAERN Cc1cc([C@H](C)Nc2ccc(Br)cc2N)c(C)s1 ZINC000049506120 214012513 /nfs/dbraw/zinc/01/25/13/214012513.db2.gz BBXSSHGYNPTIHR-VIFPVBQESA-N 0 0 325.275 4.883 10 0 EJAERN C[C@@H](Nc1ccccc1[C@H](C)O)c1ccc(Br)s1 ZINC000049543200 214014785 /nfs/dbraw/zinc/01/47/85/214014785.db2.gz YEHHXUZSDUDGOJ-ZJUUUORDSA-N 0 0 326.259 4.737 10 0 EJAERN C[C@@H](Nc1ccccc1[C@H](C)O)c1sccc1Br ZINC000049543124 214015616 /nfs/dbraw/zinc/01/56/16/214015616.db2.gz KXRQGTITYSJJLT-ZJUUUORDSA-N 0 0 326.259 4.737 10 0 EJAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc(Cl)ccc1Cl ZINC000125366496 205007709 /nfs/dbraw/zinc/00/77/09/205007709.db2.gz TZZCRISTGMTZSS-WCBMZHEXSA-N 0 0 340.172 4.844 10 0 EJAERN C[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1cccc(Cl)c1 ZINC000016018222 211875762 /nfs/dbraw/zinc/87/57/62/211875762.db2.gz FTIGIKHYWNSYAB-SNVBAGLBSA-N 0 0 326.198 4.552 10 0 EJAERN COc1cc(-c2oc(-c3ccc(O)c(OC)c3)c(C)c2C)ccc1O ZINC000000019047 205396383 /nfs/dbraw/zinc/39/63/83/205396383.db2.gz OIXPKFRMEUTHOG-UHFFFAOYSA-N 0 0 340.375 4.659 10 0 EJAERN C[C@H](c1cccc(Cl)c1)N(C)c1ccc(N)cc1Br ZINC000103941728 206478990 /nfs/dbraw/zinc/47/89/90/206478990.db2.gz DTZIZNGBAKXSGC-SNVBAGLBSA-N 0 0 339.664 4.882 10 0 EJAERN CC(C)c1ccccc1NCC(=O)Nc1cccc(Br)c1 ZINC000011621476 211227867 /nfs/dbraw/zinc/22/78/67/211227867.db2.gz FOIAZZIGEQQPJJ-UHFFFAOYSA-N 0 0 347.256 4.623 10 0 EJAERN CC[C@@H](C)[C@H](CSC(F)(F)F)NC(=O)OCc1ccccc1 ZINC000095918487 218450283 /nfs/dbraw/zinc/45/02/83/218450283.db2.gz IAHBOUIYIJQXRM-YPMHNXCESA-N 0 0 335.391 4.581 10 0 EJAERN Cc1ccc(NC(=O)C2[C@@H]3CC[C@@H]4[C@H](CC[C@@H]23)C4(Cl)Cl)cc1 ZINC000005340535 210442524 /nfs/dbraw/zinc/44/25/24/210442524.db2.gz RBSXVVJDEPZIAL-YFVFXCHESA-N 0 0 338.278 4.790 10 0 EJAERN CC[C@@H](Cc1ccccc1)NC(=O)c1cc2sc(Cl)cc2n1C ZINC000005036576 210371505 /nfs/dbraw/zinc/37/15/05/210371505.db2.gz PIEHJGJTZUZLND-ZDUSSCGKSA-N 0 0 346.883 4.644 10 0 EJAERN CN(C(=O)C1CCCCC1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000004965927 210341788 /nfs/dbraw/zinc/34/17/88/210341788.db2.gz HASAFUHHKOINNV-FQEVSTJZSA-N 0 0 347.886 4.717 10 0 EJAERN Cc1cccc2c(C)cc(SCC(=O)Nc3ccc(F)cc3)nc12 ZINC000004801540 210279899 /nfs/dbraw/zinc/27/98/99/210279899.db2.gz FSSRWJBHMRMRSR-UHFFFAOYSA-N 0 0 340.423 4.722 10 0 EJAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(Cl)ccc1Cl ZINC000125366721 222553324 /nfs/dbraw/zinc/55/33/24/222553324.db2.gz TZZCRISTGMTZSS-WPRPVWTQSA-N 0 0 340.172 4.844 10 0 EJAERN COc1ccc(-c2cnc(/C=C/c3ccc(OC)c(OC)c3)o2)cc1 ZINC000004098768 560196130 /nfs/dbraw/zinc/19/61/30/560196130.db2.gz VGJRJYYLGKAWDE-VZUCSPMQSA-N 0 0 337.375 4.538 10 0 in-vitro EJAERN Cc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)c1cccc(Cl)c1 ZINC000034794766 563479613 /nfs/dbraw/zinc/47/96/13/563479613.db2.gz KBDBYHRLVFQNPK-UHFFFAOYSA-N 0 0 339.826 4.908 10 0 EJAERN O=C(Nc1cccc(Cl)c1)N(Cc1ccccn1)C1CCCC1 ZINC000006616603 563574671 /nfs/dbraw/zinc/57/46/71/563574671.db2.gz FNOPRFJMRAXAGD-UHFFFAOYSA-N 0 0 329.831 4.712 10 0 EJAERN CC(C)(C)OC(=O)N1CCC(C)(C)c2cc(Br)ccc21 ZINC000095635120 563977583 /nfs/dbraw/zinc/97/75/83/563977583.db2.gz PVUAPECQGXLGSZ-UHFFFAOYSA-N 0 0 340.261 4.872 10 0 EJAERN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1 ZINC000005603936 564128963 /nfs/dbraw/zinc/12/89/63/564128963.db2.gz IPRMLKPPCKTEIO-ACCUITESSA-N 0 0 334.331 4.507 10 0 EJAERN COc1ccc(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl ZINC000048544513 564129342 /nfs/dbraw/zinc/12/93/42/564129342.db2.gz YURMXQADPIVELE-XVNBXDOJSA-N 0 0 340.181 4.793 10 0 EJAERN CN(C(=O)c1ccc(Cl)cc1)C1CCC(c2ccc(N)cc2)CC1 ZINC000096034531 564129481 /nfs/dbraw/zinc/12/94/81/564129481.db2.gz XMGCWNYNENGZEL-UHFFFAOYSA-N 0 0 342.870 4.721 10 0 EJAERN CC(C)[C@H](NC(=O)CC(C)(C)C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096276108 564146238 /nfs/dbraw/zinc/14/62/38/564146238.db2.gz RWQAHBRQGXTHNE-HNNXBMFYSA-N 0 0 349.862 4.640 10 0 EJAERN CC(C)c1ccc(C(=O)CSc2nccn2-c2ccccc2)cc1 ZINC000057486251 564154473 /nfs/dbraw/zinc/15/44/73/564154473.db2.gz VXQMWOIBRXITEE-UHFFFAOYSA-N 0 0 336.460 4.971 10 0 EJAERN COc1ccc(Cl)cc1CC(=O)c1ccccc1Br ZINC000053779598 214198179 /nfs/dbraw/zinc/19/81/79/214198179.db2.gz WCTQPOVXGIABDK-UHFFFAOYSA-N 0 0 339.616 4.537 10 0 EJAERN CCc1ccc(C(=O)N[C@@H](C)c2cccc(Br)c2)s1 ZINC000055460306 214325293 /nfs/dbraw/zinc/32/52/93/214325293.db2.gz VAXKEFPSWXOSKO-JTQLQIEISA-N 0 0 338.270 4.564 10 0 EJAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000057342059 214420198 /nfs/dbraw/zinc/42/01/98/214420198.db2.gz TZHWVFGAKMFQTA-UHFFFAOYSA-N 0 0 345.324 4.508 10 0 EJAERN C[C@@H](Nc1c(N)cccc1Cl)c1ccc(Br)cc1 ZINC000049525285 214013803 /nfs/dbraw/zinc/01/38/03/214013803.db2.gz OQHGCZYYLWQBGQ-SECBINFHSA-N 0 0 325.637 4.858 10 0 EJAERN NC(=S)c1ccc(Oc2cccc(Br)c2)cc1Cl ZINC000061850480 214680807 /nfs/dbraw/zinc/68/08/07/214680807.db2.gz FXGTVHZCDWDXGC-UHFFFAOYSA-N 0 0 342.645 4.529 10 0 EJAERN O=c1c2cc(Cl)ccc2nc(Nc2ccccc2)n1-c1ccccc1 ZINC000098180023 219086672 /nfs/dbraw/zinc/08/66/72/219086672.db2.gz GLGKOEQYTGTNJC-UHFFFAOYSA-N 0 0 347.805 4.783 10 0 EJAERN O[C@@H](Cc1ccc(F)cc1)c1ccc(Br)cc1Cl ZINC000062140455 214701923 /nfs/dbraw/zinc/70/19/23/214701923.db2.gz CWXIZJPSQRDPDP-AWEZNQCLSA-N 0 0 329.596 4.518 10 0 EJAERN Cc1ccc(NC=Cc2nc(SCc3ccccc3)nnc2C)cc1 ZINC000100142799 219092641 /nfs/dbraw/zinc/09/26/41/219092641.db2.gz ULWOIBSTYCJJCO-SEYXRHQNSA-N 0 0 348.475 4.864 10 0 EJAERN CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C2 ZINC000004300872 210163350 /nfs/dbraw/zinc/16/33/50/210163350.db2.gz BXPOLJAFDWDHFH-DXCKQFNASA-N 0 0 325.374 4.650 10 0 EJAERN Clc1nc(-c2cccs2)nc2ccc(Br)cc12 ZINC000021953407 212266580 /nfs/dbraw/zinc/26/65/80/212266580.db2.gz HOBNLSMQEOKFJZ-UHFFFAOYSA-N 0 0 325.618 4.774 10 0 EJAERN Cc1ccc2nc(NC(=O)/C=C/c3cccc(Cl)c3)sc2c1 ZINC000003592171 210060350 /nfs/dbraw/zinc/06/03/50/210060350.db2.gz XFHVCNHMTKFVID-SOFGYWHQSA-N 0 0 328.824 4.910 10 0 EJAERN CCC[C@H]1CCC(=O)[C@@H](Cc2ccc(F)cc2Br)C1 ZINC000103937262 219330465 /nfs/dbraw/zinc/33/04/65/219330465.db2.gz LRRQTGMBTKNSKI-WCQYABFASA-N 0 0 327.237 4.916 10 0 EJAERN CC(C)[C@H]1CCC(=O)[C@@H](Cc2ccc(F)cc2Br)C1 ZINC000103942776 219331276 /nfs/dbraw/zinc/33/12/76/219331276.db2.gz LQYLCWRQVUXILN-WCQYABFASA-N 0 0 327.237 4.772 10 0 EJAERN CC(C)[C@@H]1CCC(=O)[C@H](Cc2ccc(F)cc2Br)C1 ZINC000103942767 219331318 /nfs/dbraw/zinc/33/13/18/219331318.db2.gz LQYLCWRQVUXILN-YPMHNXCESA-N 0 0 327.237 4.772 10 0 EJAERN CC[C@@H]1CCCC[C@@H]1OCc1ccc(OC)c(Br)c1 ZINC000103984149 219336409 /nfs/dbraw/zinc/33/64/09/219336409.db2.gz XFDJWWYVSQALJN-HIFRSBDPSA-N 0 0 327.262 4.943 10 0 EJAERN Cc1ccccc1NCCOc1ccc(Br)cc1Cl ZINC000103996914 219337210 /nfs/dbraw/zinc/33/72/10/219337210.db2.gz ONXMSQGAANQXHJ-UHFFFAOYSA-N 0 0 340.648 4.902 10 0 EJAERN CCOc1ccc(OCc2ccc(F)cc2Br)cc1 ZINC000103968560 219334081 /nfs/dbraw/zinc/33/40/81/219334081.db2.gz ZUFCSWBXZWAIFW-UHFFFAOYSA-N 0 0 325.177 4.566 10 0 EJAERN Cc1cc(Br)ccc1OCc1ccc(Cl)cc1N ZINC000103968669 219334264 /nfs/dbraw/zinc/33/42/64/219334264.db2.gz QNAZSSBCNYBDAH-UHFFFAOYSA-N 0 0 326.621 4.572 10 0 EJAERN CCCC[C@@H](CC)CO[C@@H](C[NH3+])c1ccccc1Br ZINC000103970481 219334388 /nfs/dbraw/zinc/33/43/88/219334388.db2.gz MULKEEUBOYDYNP-CJNGLKHVSA-N 0 0 328.294 4.682 10 0 EJAERN Fc1ccc(CNc2cc(Br)ccc2Cl)c(F)c1 ZINC000103978945 219335421 /nfs/dbraw/zinc/33/54/21/219335421.db2.gz FTWDJMDNBBXZLU-UHFFFAOYSA-N 0 0 332.575 4.993 10 0 EJAERN Cc1ccc(NC2=N[C@@H](CC(C)C)CS2)cc1Br ZINC000104052136 219342354 /nfs/dbraw/zinc/34/23/54/219342354.db2.gz KBIRSCBJAIIOJD-LBPRGKRZSA-N 0 0 327.291 4.687 10 0 EJAERN O=Cc1ccc(OCc2ccc(F)cc2Br)c(Cl)c1 ZINC000104170693 219354449 /nfs/dbraw/zinc/35/44/49/219354449.db2.gz VUNSWWOBPJFBNF-UHFFFAOYSA-N 0 0 343.579 4.633 10 0 EJAERN Fc1ccc2sc(NCc3cccc(Br)c3)nc2c1 ZINC000104156609 219355072 /nfs/dbraw/zinc/35/50/72/219355072.db2.gz AOMKIOOFYVCLRI-UHFFFAOYSA-N 0 0 337.217 4.810 10 0 EJAERN O=C(Cc1cccc(Cl)c1)c1ccc(Br)c(F)c1 ZINC000104178350 219355967 /nfs/dbraw/zinc/35/59/67/219355967.db2.gz BTIYPRCBXCRARQ-UHFFFAOYSA-N 0 0 327.580 4.667 10 0 EJAERN Cc1cccc(OC(=O)c2cc3cc(Br)ccc3o2)c1 ZINC000041007401 213408448 /nfs/dbraw/zinc/40/84/48/213408448.db2.gz PMNWSWVNUXXCMW-UHFFFAOYSA-N 0 0 331.165 4.723 10 0 EJAERN CCOc1ccc(CCC(=O)Nc2ccc(Cl)cc2C)cc1OC ZINC000041000046 213407630 /nfs/dbraw/zinc/40/76/30/213407630.db2.gz PKLNCJFSZFZRQQ-UHFFFAOYSA-N 0 0 347.842 4.627 10 0 EJAERN COC(=O)c1c(NC(=O)C=C(C)C)sc(C)c1-c1ccc(F)cc1 ZINC000040939198 213402670 /nfs/dbraw/zinc/40/26/70/213402670.db2.gz GDOUOMBRNRKCEM-UHFFFAOYSA-N 0 0 347.411 4.554 10 0 EJAERN Cc1ccc(NC(=O)c2ccc(OC(=O)c3ccccc3)cc2)c(C)c1 ZINC000040902465 213399124 /nfs/dbraw/zinc/39/91/24/213399124.db2.gz HLAMJHBZCGQBCH-UHFFFAOYSA-N 0 0 345.398 4.775 10 0 EJAERN c1cc2c(ncnc2Nc2ccc(-c3nc4ccccc4s3)cc2)[nH]1 ZINC000040862206 213394460 /nfs/dbraw/zinc/39/44/60/213394460.db2.gz CZUVMGAHFHQKLM-UHFFFAOYSA-N 0 0 343.415 4.978 10 0 EJAERN Brc1ccc2c(c1)[C@@H](Nc1nc3ccccc3[nH]1)CCC2 ZINC000040834778 213391496 /nfs/dbraw/zinc/39/14/96/213391496.db2.gz YZTVKYVCOFHLKO-AWEZNQCLSA-N 0 0 342.240 4.815 10 0 EJAERN CC(C)CCNc1ncnc(Nc2ccc(Cl)cc2Cl)c1N ZINC000040783311 213387035 /nfs/dbraw/zinc/38/70/35/213387035.db2.gz PEZWODDOURWXDB-UHFFFAOYSA-N 0 0 340.258 4.567 10 0 EJAERN Cc1cccc(Nc2ncnc(Oc3ccc(Cl)c(C)c3)c2N)c1 ZINC000040781678 213386227 /nfs/dbraw/zinc/38/62/27/213386227.db2.gz HXYAPTRQMJRMBY-UHFFFAOYSA-N 0 0 340.814 4.865 10 0 EJAERN Nc1c(NC2CCCCCC2)ncnc1Oc1cccc2cccnc21 ZINC000040752224 213382308 /nfs/dbraw/zinc/38/23/08/213382308.db2.gz OXOMVRSWUYBTFO-UHFFFAOYSA-N 0 0 349.438 4.534 10 0 EJAERN Nc1c(NC2CCCCCC2)ncnc1Sc1ccc(Cl)cc1 ZINC000040723119 213376386 /nfs/dbraw/zinc/37/63/86/213376386.db2.gz OXNQSIVWOSYFGJ-UHFFFAOYSA-N 0 0 348.903 4.998 10 0 EJAERN CCc1ccc(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)cc1 ZINC000040688496 213369417 /nfs/dbraw/zinc/36/94/17/213369417.db2.gz YUYVRTINYWGQKN-UHFFFAOYSA-N 0 0 339.830 4.762 10 0 EJAERN Nc1c(Nc2ccccc2)ncnc1Oc1ccc2ccccc2c1 ZINC000040687815 213369432 /nfs/dbraw/zinc/36/94/32/213369432.db2.gz HWPJBELKDRBRGG-UHFFFAOYSA-N 0 0 328.375 4.748 10 0 EJAERN Cc1ccc(Nc2ncnc(Nc3ccccc3)c2N)cc1Cl ZINC000040703707 213372099 /nfs/dbraw/zinc/37/20/99/213372099.db2.gz MJXROZUJDXTCOS-UHFFFAOYSA-N 0 0 325.803 4.508 10 0 EJAERN Cc1ccc(Nc2ncnc(Nc3cccc(Cl)c3)c2N)cc1C ZINC000040702869 213371849 /nfs/dbraw/zinc/37/18/49/213371849.db2.gz PMYUMZUSSWBKFA-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN Cc1ccc(Nc2ncnc(N(C)c3ccccc3)c2N)cc1Cl ZINC000040703654 213371740 /nfs/dbraw/zinc/37/17/40/213371740.db2.gz PGJMWFIDCGWAGB-UHFFFAOYSA-N 0 0 339.830 4.532 10 0 EJAERN Cc1c(Cl)cccc1Nc1ncnc(N(C)c2ccccc2)c1N ZINC000040701544 213371752 /nfs/dbraw/zinc/37/17/52/213371752.db2.gz VRTKYOLVHSVKGB-UHFFFAOYSA-N 0 0 339.830 4.532 10 0 EJAERN CC(C)c1ccc(Nc2ncnc(Nc3ccc(F)cc3)c2N)cc1 ZINC000040706167 213371769 /nfs/dbraw/zinc/37/17/69/213371769.db2.gz UCJQOINEXNKRIZ-UHFFFAOYSA-N 0 0 337.402 4.809 10 0 EJAERN Cc1ccccc1Nc1ncnc(Nc2ccc(Cl)cc2C)c1N ZINC000040703284 213371406 /nfs/dbraw/zinc/37/14/06/213371406.db2.gz IMQKQEIQJFZMSK-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN CC(C)CCNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1N ZINC000040701119 213371452 /nfs/dbraw/zinc/37/14/52/213371452.db2.gz SFYWIJTYXBPLSC-UHFFFAOYSA-N 0 0 340.258 4.567 10 0 EJAERN Cc1cc(C)cc(Nc2ncnc(Oc3cc(C)cc(C)c3)c2N)c1 ZINC000040681203 213368000 /nfs/dbraw/zinc/36/80/00/213368000.db2.gz NELLCGXEWPGJRS-UHFFFAOYSA-N 0 0 334.423 4.828 10 0 EJAERN Cc1ccc(C)c(Nc2ncnc(Oc3cc(C)cc(C)c3)c2N)c1 ZINC000040681263 213368064 /nfs/dbraw/zinc/36/80/64/213368064.db2.gz UCCUPBORLJVKNM-UHFFFAOYSA-N 0 0 334.423 4.828 10 0 EJAERN COc1cc(/C=C/C(=O)Nc2ccc(Cl)cc2)ccc1OC(C)C ZINC000001945436 209808262 /nfs/dbraw/zinc/80/82/62/209808262.db2.gz KXQFPSMLYJFPAS-VZUCSPMQSA-N 0 0 345.826 4.788 10 0 EJAERN Cc1nc(C)c([C@@H](C)NCc2cc(F)ccc2Br)s1 ZINC000040518812 213331725 /nfs/dbraw/zinc/33/17/25/213331725.db2.gz XXFYOIPKVJYLJE-MRVPVSSYSA-N 0 0 343.265 4.512 10 0 EJAERN CCOCCCn1c(Cc2ccc(Cl)cc2)nc2ccccc21 ZINC000040389500 213297127 /nfs/dbraw/zinc/29/71/27/213297127.db2.gz HTTCZRJRQIFKPI-UHFFFAOYSA-N 0 0 328.843 4.707 10 0 EJAERN COCCn1c(COc2ccc(C)cc2C)nc2ccc(Cl)cc21 ZINC000040404777 213299167 /nfs/dbraw/zinc/29/91/67/213299167.db2.gz SKKIFRHWIRPZTJ-UHFFFAOYSA-N 0 0 344.842 4.532 10 0 EJAERN COCCn1c2ccc(C(F)(F)F)cc2nc1C1CCCCC1 ZINC000040404471 213298706 /nfs/dbraw/zinc/29/87/06/213298706.db2.gz ZGULSBIKRXEHIM-UHFFFAOYSA-N 0 0 326.362 4.749 10 0 EJAERN Cc1ccc(C(=O)NCc2nc3ccccc3n2CCC(C)C)c(C)c1 ZINC000040276215 213286614 /nfs/dbraw/zinc/28/66/14/213286614.db2.gz LWDGQRIBYWQAMR-UHFFFAOYSA-N 0 0 349.478 4.629 10 0 EJAERN Cc1ccc(-c2nc3ccccc3n2CC(=O)N(C(C)C)C(C)C)cc1 ZINC000040249359 213284791 /nfs/dbraw/zinc/28/47/91/213284791.db2.gz YCTZYSHSMVOSNR-UHFFFAOYSA-N 0 0 349.478 4.657 10 0 EJAERN CC(C)N(C(=O)Cn1c2ccccc2nc1C(C)(C)C)c1ccccc1 ZINC000040239307 213284626 /nfs/dbraw/zinc/28/46/26/213284626.db2.gz IQCQOORJPSFVAP-UHFFFAOYSA-N 0 0 349.478 4.775 10 0 EJAERN COc1ccc(Cn2c(/C=C/c3ccco3)nc3ccccc32)cc1 ZINC000040238640 213284379 /nfs/dbraw/zinc/28/43/79/213284379.db2.gz AYZWWEGEZLALDU-OUKQBFOZSA-N 0 0 330.387 4.857 10 0 EJAERN CCOCCn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 ZINC000040238598 213284033 /nfs/dbraw/zinc/28/40/33/213284033.db2.gz XQBLAOSOSDQAJE-FMIVXFBMSA-N 0 0 326.827 4.897 10 0 EJAERN Cc1ccc(OCCn2c3ccccc3nc2-c2ccco2)cc1C ZINC000040239049 213283417 /nfs/dbraw/zinc/28/34/17/213283417.db2.gz USPJYZCXDSHLLO-UHFFFAOYSA-N 0 0 332.403 4.992 10 0 EJAERN CCCCCn1c(CCCCCNC(=O)CCC)nc2ccccc21 ZINC000040211236 213281712 /nfs/dbraw/zinc/28/17/12/213281712.db2.gz FLSSWLSMEKHAFL-UHFFFAOYSA-N 0 0 343.515 4.856 10 0 EJAERN CCOc1ccccc1C(=O)Nc1cc(C)nc2c(C)cc(C)cc12 ZINC000040177065 213279957 /nfs/dbraw/zinc/27/99/57/213279957.db2.gz MZBAPTRVIGZURF-UHFFFAOYSA-N 0 0 334.419 4.811 10 0 EJAERN COc1ccc(Oc2ccc(C(=O)Nc3cccc(OC)c3)cc2)cc1 ZINC000040179104 213279743 /nfs/dbraw/zinc/27/97/43/213279743.db2.gz WUJRJTZUWWLCJS-UHFFFAOYSA-N 0 0 349.386 4.748 10 0 EJAERN CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)oc2C)cc1 ZINC000040178738 213279234 /nfs/dbraw/zinc/27/92/34/213279234.db2.gz OCJDHBXSSNBNPO-UHFFFAOYSA-N 0 0 348.402 4.774 10 0 EJAERN COC(=O)c1ccc(CSc2cc(C)c3cccc(C)c3n2)cc1 ZINC000040167133 213278409 /nfs/dbraw/zinc/27/84/09/213278409.db2.gz SJECFVRJEVWGAW-UHFFFAOYSA-N 0 0 337.444 4.931 10 0 EJAERN COCOC(C)(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2C(=O)CCC[C@]12C ZINC000069592732 215489825 /nfs/dbraw/zinc/48/98/25/215489825.db2.gz HSGIZUAUGQQEEU-OYDFLUDBSA-N 0 0 336.516 4.999 10 0 EJAERN O=C1S/C(=C\c2cccc3ccccc23)C(=O)N1c1ccc(O)cc1 ZINC000039860467 213243941 /nfs/dbraw/zinc/24/39/41/213243941.db2.gz SHKWQDZIZQZKLO-PDGQHHTCSA-N 0 0 347.395 4.786 10 0 EJAERN FC(F)(F)c1ccn2cc(-c3ccc(Br)cc3)nc2c1 ZINC000039325716 213234480 /nfs/dbraw/zinc/23/44/80/213234480.db2.gz VNLJYBKDRJKULM-UHFFFAOYSA-N 0 0 341.130 4.783 10 0 EJAERN CCn1c(CNc2ccc(Br)c(C)c2)nc2ccccc21 ZINC000038046586 202092226 /nfs/dbraw/zinc/09/22/26/202092226.db2.gz UOEYZNQGXFZPKD-UHFFFAOYSA-N 0 0 344.256 4.739 10 0 EJAERN C[C@@H](CC(=O)N[C@@H](C)c1ccccc1Br)c1ccccc1 ZINC000023525671 202105493 /nfs/dbraw/zinc/10/54/93/202105493.db2.gz SMUMXGBWYYKGAA-KBPBESRZSA-N 0 0 346.268 4.820 10 0 EJAERN CCCCC[C@H](O)c1cccc(OCc2ccc(C(=O)OC)cc2)c1 ZINC000025985417 202137960 /nfs/dbraw/zinc/13/79/60/202137960.db2.gz VXAFPCWAXPAVLW-FQEVSTJZSA-N 0 0 342.435 4.666 10 0 EJAERN CCSc1cc2c(cc1O)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000026838194 202148872 /nfs/dbraw/zinc/14/88/72/202148872.db2.gz CCMAIFADJCJQDX-IDLUEMFASA-N 0 0 330.493 4.929 10 0 EJAERN CN(C)c1ccc(NCc2cc(Br)cs2)cc1Cl ZINC000037781338 213167539 /nfs/dbraw/zinc/16/75/39/213167539.db2.gz YNRCQTCHDQTTNO-UHFFFAOYSA-N 0 0 345.693 4.842 10 0 EJAERN COc1cc(Br)cc(C)c1NCc1sccc1C ZINC000037776748 213166991 /nfs/dbraw/zinc/16/69/91/213166991.db2.gz FNSYRUMSNYVQNB-UHFFFAOYSA-N 0 0 326.259 4.748 10 0 EJAERN FC(F)Oc1c(Cl)cc(NC2CCSCC2)cc1Cl ZINC000037777802 213167200 /nfs/dbraw/zinc/16/72/00/213167200.db2.gz KXMNXARJUXRNRD-UHFFFAOYSA-N 0 0 328.211 4.902 10 0 EJAERN COc1cc(Br)cc(C)c1NCc1ccc(C)s1 ZINC000037776849 213166525 /nfs/dbraw/zinc/16/65/25/213166525.db2.gz KMJQKZCRMYIPLF-UHFFFAOYSA-N 0 0 326.259 4.748 10 0 EJAERN Clc1cccc(NCc2nc3cc(Br)ccc3[nH]2)c1 ZINC000037599877 213159721 /nfs/dbraw/zinc/15/97/21/213159721.db2.gz JGLIYPJCUSQLKI-UHFFFAOYSA-N 0 0 336.620 4.591 10 0 EJAERN CC(C)(C)[C@@H]1CCCC[C@@]1(O)Cc1ccccc1Br ZINC000037530035 213154676 /nfs/dbraw/zinc/15/46/76/213154676.db2.gz VDZCBDOJJVBOOY-DOTOQJQBSA-N 0 0 325.290 4.959 10 0 EJAERN CC(C)=CCn1c(C(=O)NCc2ccco2)cc2sc(C)cc21 ZINC000037526091 213154697 /nfs/dbraw/zinc/15/46/97/213154697.db2.gz JOQTUPDENSCTDW-UHFFFAOYSA-N 0 0 328.437 4.500 10 0 EJAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)Cc1ccc(Br)cc1 ZINC000037529851 213154568 /nfs/dbraw/zinc/15/45/68/213154568.db2.gz NPQPFJPRUQYUJE-XOKHGSTOSA-N 0 0 325.290 4.815 10 0 EJAERN C[C@@H]1C[C@H](OCc2c(N)cccc2Br)CC(C)(C)C1 ZINC000037402284 213144646 /nfs/dbraw/zinc/14/46/46/213144646.db2.gz YHAAVCDCCFMBIG-NEPJUHHUSA-N 0 0 326.278 4.763 10 0 EJAERN COc1ccc(C(=O)c2ccc3ccccc3c2)c(Br)c1 ZINC000037444605 213147826 /nfs/dbraw/zinc/14/78/26/213147826.db2.gz DCCKFTMTEIOSAR-UHFFFAOYSA-N 0 0 341.204 4.842 10 0 EJAERN C[C@@H](Nc1cc(Br)ccc1N(C)C)C1CCCCC1 ZINC000037318286 213139141 /nfs/dbraw/zinc/13/91/41/213139141.db2.gz KBKYNVYNYGJVDN-GFCCVEGCSA-N 0 0 325.294 4.896 10 0 EJAERN Cc1nc(N)sc1SCc1csc(-c2ccsc2)n1 ZINC000037036933 213131242 /nfs/dbraw/zinc/13/12/42/213131242.db2.gz ILTFSIWHRRYSOX-UHFFFAOYSA-N 0 0 325.509 4.511 10 0 EJAERN Clc1ncccc1NC1CC(c2cccc(Br)c2)C1 ZINC000036982976 213128357 /nfs/dbraw/zinc/12/83/57/213128357.db2.gz UBNMQWZTXQDHOM-UHFFFAOYSA-N 0 0 337.648 4.856 10 0 EJAERN Cc1cc(C)cc(CNc2cccc(I)c2)c1 ZINC000070138840 215677402 /nfs/dbraw/zinc/67/74/02/215677402.db2.gz KEENTWBJCALQOA-UHFFFAOYSA-N 0 0 337.204 4.520 10 0 EJAERN CCCc1cc(Br)c2cccc(OC(F)(F)F)c2n1 ZINC000036075716 213059416 /nfs/dbraw/zinc/05/94/16/213059416.db2.gz WAXVDAPFROYJDW-UHFFFAOYSA-N 0 0 334.135 4.848 10 0 EJAERN COc1cncc(-c2cncc(NCc3ccc4ccccc4c3)c2)c1 ZINC000035876195 213051781 /nfs/dbraw/zinc/05/17/81/213051781.db2.gz NDQRSYJSJLBCEJ-UHFFFAOYSA-N 0 0 341.414 4.918 10 0 EJAERN C[C@H](O)c1ccc(Oc2ccc(F)cc2Br)c(F)c1 ZINC000035632036 213044097 /nfs/dbraw/zinc/04/40/97/213044097.db2.gz WYIOQUIWOCSDAB-QMMMGPOBSA-N 0 0 329.140 4.573 10 0 EJAERN C[C@@H](Sc1ccc(F)cc1)C(=O)c1ccc(Br)cc1 ZINC000035181517 213013642 /nfs/dbraw/zinc/01/36/42/213013642.db2.gz ZFUAKGXRSCZQHX-SNVBAGLBSA-N 0 0 339.229 4.952 10 0 EJAERN N[C@@H](c1cc2cc(Br)ccc2o1)c1ccc(Cl)s1 ZINC000035057085 213007349 /nfs/dbraw/zinc/00/73/49/213007349.db2.gz VVONUSGUFBWQJL-ZDUSSCGKSA-N 0 0 342.645 4.958 10 0 EJAERN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccnc2ccc(F)cc21 ZINC000032608185 212817280 /nfs/dbraw/zinc/81/72/80/212817280.db2.gz RSLHEHAPPSPAFW-FPYGCLRLSA-N 0 0 326.758 4.679 10 0 EJAERN C[C@@H](O)c1cc(F)ccc1Oc1ccc(F)cc1Br ZINC000035632041 213043478 /nfs/dbraw/zinc/04/34/78/213043478.db2.gz NGTHRSWDECDRHW-MRVPVSSYSA-N 0 0 329.140 4.573 10 0 EJAERN Cc1ccc(-c2n[nH]c(C)c2NC(=O)c2ccc(C(F)(F)F)cc2)o1 ZINC000034796497 202278000 /nfs/dbraw/zinc/27/80/00/202278000.db2.gz CIJQHHLEEIGNSJ-UHFFFAOYSA-N 0 0 349.312 4.558 10 0 EJAERN C[C@H](SCc1ccccc1)C(=O)c1ccc(Br)cc1 ZINC000034980336 202282170 /nfs/dbraw/zinc/28/21/70/202282170.db2.gz ITBFIVJXPJPZJK-LBPRGKRZSA-N 0 0 335.266 4.954 10 0 EJAERN Cc1cccc(-c2nc(Br)c(Br)s2)c1 ZINC000072192869 216068346 /nfs/dbraw/zinc/06/83/46/216068346.db2.gz YAZMZGMTUSOWHV-UHFFFAOYSA-N 0 0 333.048 4.644 10 0 EJAERN Fc1cc(Br)cc(-c2cc3ncnc(Cl)c3s2)c1 ZINC000037034504 202335542 /nfs/dbraw/zinc/33/55/42/202335542.db2.gz VGWANZGFVPNAMT-UHFFFAOYSA-N 0 0 343.608 4.913 10 0 EJAERN Cc1ccc(Cl)c(OCc2c(N)cccc2Br)c1 ZINC000036669575 202329660 /nfs/dbraw/zinc/32/96/60/202329660.db2.gz DOGSZJZKRAQHIE-UHFFFAOYSA-N 0 0 326.621 4.572 10 0 EJAERN COc1ccc(Nc2nc(N3CCC[C@@H](C)C3)nc3ccccc32)cc1 ZINC000072261068 216085992 /nfs/dbraw/zinc/08/59/92/216085992.db2.gz PMSDFHKZHUHLQL-OAHLLOKOSA-N 0 0 348.450 4.618 10 0 EJAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2ccccc2O)s1 ZINC000072260836 216086081 /nfs/dbraw/zinc/08/60/81/216086081.db2.gz QMTLREXKZAMWPS-UHFFFAOYSA-N 0 0 334.404 4.511 10 0 EJAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2cc(C)ccc2O)s1 ZINC000072260870 216086190 /nfs/dbraw/zinc/08/61/90/216086190.db2.gz YBVAAAUMXHKQAU-UHFFFAOYSA-N 0 0 348.431 4.819 10 0 EJAERN O=C(c1c[nH]c2ccccc12)c1ccc(Br)cc1Cl ZINC000037365597 202340194 /nfs/dbraw/zinc/34/01/94/202340194.db2.gz XFNCMMGJTNTLHC-UHFFFAOYSA-N 0 0 334.600 4.815 10 0 EJAERN CCSc1ccccc1NC(=O)c1cccc(Br)c1 ZINC000037790930 202365428 /nfs/dbraw/zinc/36/54/28/202365428.db2.gz JWCDOGQZJOOBMH-UHFFFAOYSA-N 0 0 336.254 4.813 10 0 EJAERN Nc1ccccc1Oc1nc(Cl)nc2c(-c3ccccc3)c[nH]c21 ZINC000073735870 202366360 /nfs/dbraw/zinc/36/63/60/202366360.db2.gz SPYZTJKNQQNCJT-UHFFFAOYSA-N 0 0 336.782 4.653 10 0 EJAERN Nc1cc(F)c(Oc2ccc(Br)cc2Cl)c(F)c1 ZINC000038040342 202389238 /nfs/dbraw/zinc/38/92/38/202389238.db2.gz KJJOLKGRXJDILB-UHFFFAOYSA-N 0 0 334.547 4.755 10 0 EJAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)NCc1ccccc1Cl ZINC000040178864 202429017 /nfs/dbraw/zinc/42/90/17/202429017.db2.gz KYKAKKJQFUAYDM-UHFFFAOYSA-N 0 0 343.785 4.978 10 0 EJAERN Cc1cc(C)cc(OCCn2c3ccccc3nc2C(F)(F)F)c1 ZINC000040231804 202429962 /nfs/dbraw/zinc/42/99/62/202429962.db2.gz FIXWDRPCCYOGBQ-UHFFFAOYSA-N 0 0 334.341 4.751 10 0 EJAERN Fc1ccc(CNc2ccc(Br)cc2Cl)c(F)c1 ZINC000036963699 213127242 /nfs/dbraw/zinc/12/72/42/213127242.db2.gz PDYZZTBJLMORFR-UHFFFAOYSA-N 0 0 332.575 4.993 10 0 EJAERN CCOc1ccccc1/C=C/C(=O)Nc1nc2ccc(C)cc2s1 ZINC000040950237 202469392 /nfs/dbraw/zinc/46/93/92/202469392.db2.gz PJVVETVMXBZJHP-PKNBQFBNSA-N 0 0 338.432 4.655 10 0 EJAERN COc1ccc(Br)cc1CNc1ccc(SC)cc1 ZINC000037302220 213139251 /nfs/dbraw/zinc/13/92/51/213139251.db2.gz AARRJJBUPOWOPU-UHFFFAOYSA-N 0 0 338.270 4.792 10 0 EJAERN Cc1ccc(Br)cc1-n1c2ccc(F)cc2[nH]c1=S ZINC000037368767 213141126 /nfs/dbraw/zinc/14/11/26/213141126.db2.gz SFTYUMGYWIAAMZ-UHFFFAOYSA-N 0 0 337.217 4.898 10 0 EJAERN Nc1ccc(COc2c(Cl)cccc2Cl)c(Br)c1 ZINC000037543402 213155557 /nfs/dbraw/zinc/15/55/57/213155557.db2.gz HMHXSUUVUWAWTR-UHFFFAOYSA-N 0 0 347.039 4.917 10 0 EJAERN Cc1cc2nc(-c3ccccc3)cc(N[C@H](C)c3ccc(C)nc3)n2n1 ZINC000072419171 216207525 /nfs/dbraw/zinc/20/75/25/216207525.db2.gz NOOYUKNOPNMDJW-MRXNPFEDSA-N 0 0 343.434 4.581 10 0 EJAERN Cc1nn(-c2ccc(F)cc2)cc1-c1ccnc(Nc2ccccc2)n1 ZINC000072462025 216244170 /nfs/dbraw/zinc/24/41/70/216244170.db2.gz WFUQCJBEZWRNBX-UHFFFAOYSA-N 0 0 345.381 4.520 10 0 EJAERN c1csc(-c2nc3nccc(-c4ccc5ccccc5c4)n3n2)c1 ZINC000072451433 216239953 /nfs/dbraw/zinc/23/99/53/216239953.db2.gz DSHBCUHZGLEGSW-UHFFFAOYSA-N 0 0 328.400 4.673 10 0 EJAERN Cc1nn(-c2ccccc2)cc1-c1ccnc(Nc2cccc(C)c2)n1 ZINC000072461865 216243814 /nfs/dbraw/zinc/24/38/14/216243814.db2.gz RRCVMPLTGUHOGL-UHFFFAOYSA-N 0 0 341.418 4.690 10 0 EJAERN CC(C)CC(=O)Nc1sc(Br)nc1-c1ccccc1 ZINC000032500046 201070239 /nfs/dbraw/zinc/07/02/39/201070239.db2.gz IBSPPDXAOLPBNQ-UHFFFAOYSA-N 0 0 339.258 4.557 10 0 EJAERN C[C@H](Nc1cccc(-n2cccn2)c1)c1ccc(Br)s1 ZINC000038003135 213187184 /nfs/dbraw/zinc/18/71/84/213187184.db2.gz SOGHUAQXZMORSM-NSHDSACASA-N 0 0 348.269 4.869 10 0 EJAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(Cl)sc1Cl ZINC000073434377 216386758 /nfs/dbraw/zinc/38/67/58/216386758.db2.gz ZGROTFCZSSDWKW-BQBZGAKWSA-N 0 0 346.201 4.906 10 0 EJAERN Cc1[nH]c2ccc(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)cc2c1C ZINC000022408800 212295306 /nfs/dbraw/zinc/29/53/06/212295306.db2.gz MKBKKQDPHNRXQX-ZIAGYGMSSA-N 0 0 338.373 4.636 10 0 EJAERN O=C(c1cc(-c2ccc(C3CCCCC3)cc2)on1)N1CC=CCC1 ZINC000022342012 212292465 /nfs/dbraw/zinc/29/24/65/212292465.db2.gz CDVYBVRGOQZZJX-UHFFFAOYSA-N 0 0 336.435 4.791 10 0 EJAERN O=C(Nc1ccc(F)cc1F)c1cccc(Oc2ccc(F)cc2)n1 ZINC000211682194 241083384 /nfs/dbraw/zinc/08/33/84/241083384.db2.gz XSEOSWGJAVVKCI-UHFFFAOYSA-N 0 0 344.292 4.544 10 0 EJAERN FC(F)(F)c1cc(-c2ccccc2Cl)nc(Br)n1 ZINC000217024843 241233837 /nfs/dbraw/zinc/23/38/37/241233837.db2.gz NWLZEYHUCPJYQG-UHFFFAOYSA-N 0 0 337.526 4.578 10 0 EJAERN COc1cc2c(cc1CC=C(C)C)[C@H]1Oc3cc(O)ccc3[C@H]1CO2 ZINC000001653270 201515190 /nfs/dbraw/zinc/51/51/90/201515190.db2.gz FZFGGNNUYSILSL-DYESRHJHSA-N 0 0 338.403 4.519 10 0 endogenous,in-man EJAERN COC(=O)c1sc(-c2ccc(Oc3ccccc3)cc2)c(C)c1N ZINC000002528750 201535449 /nfs/dbraw/zinc/53/54/49/201535449.db2.gz ORYBQUCVJVTEIO-UHFFFAOYSA-N 0 0 339.416 4.885 10 0 EJAERN O[C@@H](Cc1ccccc1Cl)c1cc(F)cc(Br)c1 ZINC000062137301 202794016 /nfs/dbraw/zinc/79/40/16/202794016.db2.gz MIXKJVNINAQUST-AWEZNQCLSA-N 0 0 329.596 4.518 10 0 EJAERN CCCOc1ccc2ccccc2c1C[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000020930690 212190419 /nfs/dbraw/zinc/19/04/19/212190419.db2.gz XUWXTWFVKDIDOA-UHFFFAOYSA-N 0 0 349.430 4.617 10 0 EJAERN O=C1CCCN1[C@@H]1C[C@H](c2ccccc2)c2c(ccc3ccccc32)O1 ZINC000005489883 201652382 /nfs/dbraw/zinc/65/23/82/201652382.db2.gz DIVISKLPOWSRBC-KNQAVFIVSA-N 0 0 343.426 4.703 10 0 EJAERN C[C@H](c1ccc(Cl)cc1)N(C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000071854610 203128958 /nfs/dbraw/zinc/12/89/58/203128958.db2.gz HMGAACWVSURCEO-SUMDDJOVSA-N 0 0 348.918 4.514 10 0 EJAERN Fc1ccc(NCc2c(F)cccc2Cl)c(Br)c1 ZINC000020430392 212127905 /nfs/dbraw/zinc/12/79/05/212127905.db2.gz YEXDZECDNSFVGC-UHFFFAOYSA-N 0 0 332.575 4.993 10 0 EJAERN Fc1ccc([C@]2(CC3CCOCC3)c3ccccc3-c3nccn32)cc1 ZINC000072109255 203162964 /nfs/dbraw/zinc/16/29/64/203162964.db2.gz RXXVIEXCMOKUEL-JOCHJYFZSA-N 0 0 348.421 4.611 10 0 EJAERN CC(C)c1ccc(-c2csc3ncnc(NC(C)(C)CO)c23)cc1 ZINC000020322198 212119770 /nfs/dbraw/zinc/11/97/70/212119770.db2.gz PAALDTXGPMPKBF-UHFFFAOYSA-N 0 0 341.480 4.665 10 0 EJAERN Cc1ccc(/C=C/c2ccnc(N3CCc4ccccc4C3)n2)cc1 ZINC000072443610 203225997 /nfs/dbraw/zinc/22/59/97/203225997.db2.gz ZNZZKPKMCRDNME-ZHACJKMWSA-N 0 0 327.431 4.518 10 0 EJAERN CCc1nn2c(nccc2-c2ccncc2)c1-c1cccc(Cl)c1 ZINC000072451750 203226811 /nfs/dbraw/zinc/22/68/11/203226811.db2.gz NRPNFSBREWMMSL-UHFFFAOYSA-N 0 0 334.810 4.674 10 0 EJAERN COc1ccc(OC)c(N[C@H](C)c2cccc(Br)c2)c1 ZINC000019910481 212082397 /nfs/dbraw/zinc/08/23/97/212082397.db2.gz CXHCDIHRCFDAES-LLVKDONJSA-N 0 0 336.229 4.639 10 0 EJAERN Cc1ccc(N[C@H](C)c2ccc3c(c2)OCCO3)c(Br)c1 ZINC000019901643 212080383 /nfs/dbraw/zinc/08/03/83/212080383.db2.gz NNVUTSZUCLLNMM-GFCCVEGCSA-N 0 0 348.240 4.702 10 0 EJAERN Cc1ccc(N[C@@H](C)c2ccc3c(c2)OCO3)c(Br)c1 ZINC000019901638 212080400 /nfs/dbraw/zinc/08/04/00/212080400.db2.gz SFHOVTYHOVFPMH-NSHDSACASA-N 0 0 334.213 4.659 10 0 EJAERN C[C@H](Nc1ccc(Br)cc1F)c1nc2ccccc2n1C ZINC000019908038 212082102 /nfs/dbraw/zinc/08/21/02/212082102.db2.gz OHWDAYARJLELCQ-JTQLQIEISA-N 0 0 348.219 4.648 10 0 EJAERN Nc1cccc(COc2ccc3cc(Br)ccc3c2)c1 ZINC000019803199 212070045 /nfs/dbraw/zinc/07/00/45/212070045.db2.gz DQVYRQITZVPLKM-UHFFFAOYSA-N 0 0 328.209 4.764 10 0 EJAERN FC(F)(F)c1nc2cccnc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000095076873 203710975 /nfs/dbraw/zinc/71/09/75/203710975.db2.gz WRJXJHIRCZQDRU-UHFFFAOYSA-N 0 0 346.139 4.805 10 0 EJAERN CC(C)(C)CN(C(=O)Oc1ccccc1)C(=O)Oc1ccccc1 ZINC000098090334 203985952 /nfs/dbraw/zinc/98/59/52/203985952.db2.gz QIYWQAMAOFCDPE-UHFFFAOYSA-N 0 0 327.380 4.733 10 0 EJAERN CCN1c2cc(Cl)ccc2N=C(c2ccc(Cl)cc2)CC1=O ZINC000100898176 204000014 /nfs/dbraw/zinc/00/00/14/204000014.db2.gz VASCMGXJWHQJCJ-UHFFFAOYSA-N 0 0 333.218 4.871 10 0 EJAERN Fc1ccc(COCc2ccccc2Cl)cc1Br ZINC000103980926 204092366 /nfs/dbraw/zinc/09/23/66/204092366.db2.gz XMYPMTBUQGIODA-UHFFFAOYSA-N 0 0 329.596 4.958 10 0 EJAERN Cc1ccc2cccc(OCc3sccc3Br)c2n1 ZINC000103980931 204091612 /nfs/dbraw/zinc/09/16/12/204091612.db2.gz LGEYOMZXSVHVSQ-UHFFFAOYSA-N 0 0 334.238 4.946 10 0 EJAERN CC(C)[C@@H](Nc1ccc(Br)cc1N)c1cccs1 ZINC000049555078 214018538 /nfs/dbraw/zinc/01/85/38/214018538.db2.gz WFDUIWSGWXIRSQ-CQSZACIVSA-N 0 0 325.275 4.902 10 0 EJAERN Oc1ccc(C[C@@H](c2ccc(O)cc2)C(F)(F)C(F)(F)F)cc1 ZINC000013470350 211563326 /nfs/dbraw/zinc/56/33/26/211563326.db2.gz GIUJCBHHSDJLCS-AWEZNQCLSA-N 0 0 332.268 4.622 10 0 EJAERN Nc1cccc(Cl)c1C[S@](=O)c1cc(Cl)ccc1Cl ZINC000104316113 206490303 /nfs/dbraw/zinc/49/03/03/206490303.db2.gz IZVRIOOPIVZJGK-LJQANCHMSA-N 0 0 334.655 4.537 10 0 EJAERN O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)NC1(CCCCC1)CC3 ZINC000012349504 211354237 /nfs/dbraw/zinc/35/42/37/211354237.db2.gz FJUPCQHIHYXXFT-UHFFFAOYSA-N 0 0 336.357 4.608 10 0 EJAERN Cc1nc2ncnc(N)c2c(-c2ccc(C(F)(F)F)cc2)c1C(C)C ZINC000009694668 211116329 /nfs/dbraw/zinc/11/63/29/211116329.db2.gz BDCTWTNJVVNPRC-UHFFFAOYSA-N 0 0 346.356 4.725 10 0 EJAERN Cc1nc(SCc2ccc(Br)cc2F)nc(C)c1C ZINC000095081049 218275203 /nfs/dbraw/zinc/27/52/03/218275203.db2.gz ZUZCRQAJQODEBY-UHFFFAOYSA-N 0 0 341.249 4.596 10 0 EJAERN CCOc1ccccc1OC(=O)C1=Cc2sc(C)c(C)c2CS1 ZINC000009211430 211052781 /nfs/dbraw/zinc/05/27/81/211052781.db2.gz QZSMGNSYCYOWCQ-UHFFFAOYSA-N 0 0 346.473 4.957 10 0 EJAERN C[C@@H](OCCC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000095089514 218278994 /nfs/dbraw/zinc/27/89/94/218278994.db2.gz YRJZONJXUMVYMZ-IAGOWNOFSA-N 0 0 348.487 4.729 10 0 EJAERN C[C@@H](OCCC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc[nH]1 ZINC000095089500 218279025 /nfs/dbraw/zinc/27/90/25/218279025.db2.gz KHVCCZRWIMVEDB-CVEARBPZSA-N 0 0 336.476 4.662 10 0 EJAERN C[C@@H](OCCCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc[nH]1 ZINC000095089548 218279261 /nfs/dbraw/zinc/27/92/61/218279261.db2.gz GEENSIOBQZAVDK-OAHLLOKOSA-N 0 0 336.476 4.520 10 0 EJAERN CC(C)(O)c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000008785929 211008223 /nfs/dbraw/zinc/00/82/23/211008223.db2.gz YEEZHZSYLLSEEJ-UHFFFAOYSA-N 0 0 335.234 4.619 10 0 EJAERN c1csc(Cc2nc3ccccc3n2CCOc2ccccc2)c1 ZINC000008787041 211007644 /nfs/dbraw/zinc/00/76/44/211007644.db2.gz RNVXPOPDTHMFJY-UHFFFAOYSA-N 0 0 334.444 4.768 10 0 EJAERN O=[S@@]1c2ccccc2SN1C(c1ccccc1)c1ccccc1 ZINC000006578928 210657219 /nfs/dbraw/zinc/65/72/19/210657219.db2.gz JJKCNFOMDYVOON-QHCPKHFHSA-N 0 0 337.469 4.822 10 0 EJAERN CCCCC(=O)Nc1ccc(C(=O)N[C@@H](C)CCCC(C)C)cc1 ZINC000006396692 210628165 /nfs/dbraw/zinc/62/81/65/210628165.db2.gz UGUPVAFYAGWYES-INIZCTEOSA-N 0 0 332.488 4.760 10 0 EJAERN Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000005542772 210485509 /nfs/dbraw/zinc/48/55/09/210485509.db2.gz BOHXUKRORDIXQO-UHFFFAOYSA-N 0 0 325.452 4.927 10 0 EJAERN Cc1ccc(NC(=O)C2[C@@H]3CC[C@@H]4[C@H](CC[C@H]23)C4(Cl)Cl)cc1 ZINC000005340528 210443387 /nfs/dbraw/zinc/44/33/87/210443387.db2.gz RBSXVVJDEPZIAL-GJZITSJHSA-N 0 0 338.278 4.790 10 0 EJAERN C/C=C/c1cc2c(c(OC)c1)O[C@@H](c1ccc(OC)c(OC)c1)[C@@H]2C ZINC000005132927 210397104 /nfs/dbraw/zinc/39/71/04/210397104.db2.gz ITFKWUHXYCXXFF-XSOBDOKWSA-N 0 0 340.419 4.983 10 0 biogenic,in-vitro EJAERN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccncc4)c3)oc2c1 ZINC000004976702 210346712 /nfs/dbraw/zinc/34/67/12/210346712.db2.gz CJLAFTDTUPIQCR-UHFFFAOYSA-N 0 0 343.386 4.759 10 0 EJAERN c1ccc(CC2(c3nnc([C@H]4CCO[C@@H]4c4ccccc4)o3)CC2)cc1 ZINC000299739231 258011419 /nfs/dbraw/zinc/01/14/19/258011419.db2.gz MDDQHAIKIUVIAU-RBUKOAKNSA-N 0 0 346.430 4.589 10 0 EJAERN Cc1nc([C@@H](C)N[C@@H](C)c2ccccc2Br)cs1 ZINC000036945688 527032503 /nfs/dbraw/zinc/03/25/03/527032503.db2.gz UTUKITOKXZJSST-VHSXEESVSA-N 0 0 325.275 4.626 10 0 EJAERN COC(c1ccccc1[Si](C)(C)C)c1ccccc1[Si](C)(C)C ZINC000195807339 536512978 /nfs/dbraw/zinc/51/29/78/536512978.db2.gz AIJFWKIEWFJHTI-UHFFFAOYSA-N 0 0 342.631 4.513 10 0 EJAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000000133335 563239396 /nfs/dbraw/zinc/23/93/96/563239396.db2.gz JZLMMQSLSDGJJE-MAZHCROVSA-N 0 0 327.390 4.896 10 0 EJAERN Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(F)cc3)cn2)cc1 ZINC000034898344 563483200 /nfs/dbraw/zinc/48/32/00/563483200.db2.gz MDRRYVLDXAPBJV-UHFFFAOYSA-N 0 0 337.354 4.965 10 0 EJAERN CC1CCC(CC[NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000070539335 563919631 /nfs/dbraw/zinc/91/96/31/563919631.db2.gz APTUIXOZULVQCC-UHFFFAOYSA-N 0 0 328.269 4.894 10 0 EJAERN Cc1nn(C(C)C)cc1NCc1cc(Br)ccc1Cl ZINC000725242777 563975098 /nfs/dbraw/zinc/97/50/98/563975098.db2.gz YDAIJBKXDPPLDO-UHFFFAOYSA-N 0 0 342.668 4.800 10 0 EJAERN CCOC(=O)c1sc(Cl)nc1-c1ccc(C(F)(F)F)cc1 ZINC000095912942 563977744 /nfs/dbraw/zinc/97/77/44/563977744.db2.gz KISQOFNQDMMSMA-UHFFFAOYSA-N 0 0 335.734 4.659 10 0 EJAERN Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1cccc(F)c1F ZINC000000256978 563989565 /nfs/dbraw/zinc/98/95/65/563989565.db2.gz GSTGZKDMDRMCFD-UHFFFAOYSA-N 0 0 349.720 4.801 10 0 EJAERN Cc1ccc(NC(=O)[C@H]2[C@@H]3CC[C@@H]4[C@H](CC[C@@H]32)C4(Cl)Cl)cc1 ZINC000253495802 563999331 /nfs/dbraw/zinc/99/93/31/563999331.db2.gz RBSXVVJDEPZIAL-HUSMAVQQSA-N 0 0 338.278 4.790 10 0 EJAERN Cc1ccc(NC(=O)C2[C@@H]3CC[C@@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)cc1 ZINC000253495804 563999354 /nfs/dbraw/zinc/99/93/54/563999354.db2.gz RBSXVVJDEPZIAL-KBUPBQIOSA-N 0 0 338.278 4.790 10 0 EJAERN COc1cc(Cl)ccc1NC(=O)Oc1cc(C)c2ccccc2n1 ZINC000048523975 564031793 /nfs/dbraw/zinc/03/17/93/564031793.db2.gz NDUVIVXNMDWOHN-UHFFFAOYSA-N 0 0 342.782 4.816 10 0 EJAERN O=C(/C=C/c1ccc(-c2cccc(Cl)c2)o1)NCc1ccccc1 ZINC000048534140 564031794 /nfs/dbraw/zinc/03/17/94/564031794.db2.gz QATHCPABOPYHOO-ZRDIBKRKSA-N 0 0 337.806 4.930 10 0 EJAERN O=C(C[C@@H](c1cccs1)n1cccc1)N1CCCc2ccccc21 ZINC000020997089 564032957 /nfs/dbraw/zinc/03/29/57/564032957.db2.gz VMEQTGNWFPGJEA-SFHVURJKSA-N 0 0 336.460 4.509 10 0 EJAERN Cc1cc2c(cc1Cl)N(C(=O)Nc1cccc3ncccc31)CC2 ZINC000000007442 564042148 /nfs/dbraw/zinc/04/21/48/564042148.db2.gz HOVMHIRTZYQSKM-UHFFFAOYSA-N 0 0 337.810 4.791 10 0 in-vitro EJAERN CC(C)(C)OC(=O)N1CC=C(c2cc(Br)cs2)CC1 ZINC000536959850 564091804 /nfs/dbraw/zinc/09/18/04/564091804.db2.gz MDMALNBVKDWXAC-UHFFFAOYSA-N 0 0 344.274 4.535 10 0 EJAERN O=c1cccc2[nH]c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc1-2 ZINC000006861684 564099878 /nfs/dbraw/zinc/09/98/78/564099878.db2.gz FIWSEWWNBPEOGP-UHFFFAOYSA-N 0 0 334.325 4.948 10 0 EJAERN CC1=C(C#N)[C@H](c2ccc(-c3ccccc3)s2)C2=C(CCCC2=O)N1 ZINC000048534158 564129322 /nfs/dbraw/zinc/12/93/22/564129322.db2.gz DALYHXKYQBOYGB-HXUWFJFHSA-N 0 0 346.455 4.907 10 0 EJAERN CC(C)CCCC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960363 564177091 /nfs/dbraw/zinc/17/70/91/564177091.db2.gz GLWVXRKROLZFKC-UHFFFAOYSA-N 0 0 333.472 4.819 10 0 EJAERN CC(C)C[C@@H](C)C(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960486 564177139 /nfs/dbraw/zinc/17/71/39/564177139.db2.gz MSHAFBRXRDEGEM-MRXNPFEDSA-N 0 0 333.472 4.675 10 0 EJAERN CC1(C)Cc2nc(-c3cccc(Br)c3)sc2[C@H](O)C1 ZINC000050335550 214052962 /nfs/dbraw/zinc/05/29/62/214052962.db2.gz LCGMLMYDVSPZHK-GFCCVEGCSA-N 0 0 338.270 4.578 10 0 EJAERN CCn1cc(CNc2c(Cl)cc(Br)cc2Cl)cn1 ZINC000050539469 214059667 /nfs/dbraw/zinc/05/96/67/214059667.db2.gz YLFQMKXIPAVRPM-UHFFFAOYSA-N 0 0 349.059 4.584 10 0 EJAERN O=C(Cc1cc(Br)cs1)C12CC3CC(CC(C3)C1)C2 ZINC000055270307 214299073 /nfs/dbraw/zinc/29/90/73/214299073.db2.gz DNLXKEAMPVYARA-UHFFFAOYSA-N 0 0 339.298 4.839 10 0 EJAERN c1cc(CN(Cc2cccnc2)Cc2ccnc3ccccc23)cs1 ZINC000055359544 214311724 /nfs/dbraw/zinc/31/17/24/214311724.db2.gz DLQUYERYLNVKNR-UHFFFAOYSA-N 0 0 345.471 4.894 10 0 EJAERN COc1cc(C)ccc1C[C@H](C)[C@H](C)Cc1ccc(O)cc1OC ZINC000098214436 219088177 /nfs/dbraw/zinc/08/81/77/219088177.db2.gz RCQMGHJJRPUIPT-JKSUJKDBSA-N 0 0 328.452 4.775 10 0 EJAERN CC(C)c1ccc(NC(=S)N[C@H]2C[C@H]3C[C@@H]2[C@H]2C=CC[C@H]32)cc1 ZINC000004307292 210165883 /nfs/dbraw/zinc/16/58/83/210165883.db2.gz PBMKSBCBTDGDDZ-FTWQHDNSSA-N 0 0 326.509 4.697 10 0 EJAERN CCCCN(CCCC)c1c2c([nH+]c3ccc(C(=O)[O-])cc31)CCC2 ZINC000004226636 210146854 /nfs/dbraw/zinc/14/68/54/210146854.db2.gz XPCZFVSMFNLFOM-UHFFFAOYSA-N 0 0 340.467 4.828 10 0 EJAERN COc1c(O)cc2oc(-c3cc(O)cc(O)c3)cc2c1CC=C(C)C ZINC000101775560 219163386 /nfs/dbraw/zinc/16/33/86/219163386.db2.gz BILBQNGVYFSUOZ-UHFFFAOYSA-N 0 0 340.375 4.734 10 0 biogenic EJAERN CC(C)c1ccc(NC(=S)N[C@H]2C[C@H]3C[C@@H]2[C@@H]2C=CC[C@@H]32)cc1 ZINC000013465102 201896005 /nfs/dbraw/zinc/89/60/05/201896005.db2.gz PBMKSBCBTDGDDZ-QTUASDBPSA-N 0 0 326.509 4.697 10 0 EJAERN COC(=O)c1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000003905423 210089803 /nfs/dbraw/zinc/08/98/03/210089803.db2.gz RTXPMZKUZAJFAX-LYNWBYMPSA-N 0 0 333.431 4.770 10 0 EJAERN Cc1cc(Br)c2ncc(Br)c(Cl)c2c1 ZINC000041702539 213462830 /nfs/dbraw/zinc/46/28/30/213462830.db2.gz JLXCNVBUOIJUKO-UHFFFAOYSA-N 0 0 335.426 4.722 10 0 EJAERN CC[C@H]1CCC(=O)[C@H](CCOc2cccc(Br)c2)C1 ZINC000103933262 219330525 /nfs/dbraw/zinc/33/05/25/219330525.db2.gz ALUSFYATOIHBTD-QWHCGFSZSA-N 0 0 325.246 4.613 10 0 EJAERN Clc1ccccc1NCCOc1ccc(Br)cc1 ZINC000104003150 219337165 /nfs/dbraw/zinc/33/71/65/219337165.db2.gz SPBYASMZMMDSCJ-UHFFFAOYSA-N 0 0 326.621 4.593 10 0 EJAERN Cc1ccc(NCCOc2ccc(Br)cc2)cc1Cl ZINC000103995897 219337427 /nfs/dbraw/zinc/33/74/27/219337427.db2.gz SETFYBSVKDDLTK-UHFFFAOYSA-N 0 0 340.648 4.902 10 0 EJAERN Fc1ccc(OCCNc2ccccc2Br)cc1Cl ZINC000104006688 219338256 /nfs/dbraw/zinc/33/82/56/219338256.db2.gz YBESVQXRGXYPDP-UHFFFAOYSA-N 0 0 344.611 4.733 10 0 EJAERN CCNc1c(CC)c(C)nc2c(Cl)ccc(Br)c21 ZINC000104017179 219339407 /nfs/dbraw/zinc/33/94/07/219339407.db2.gz VQZNYNICGNPCGK-UHFFFAOYSA-N 0 0 327.653 4.953 10 0 EJAERN Cc1ccc(C)c(CNc2c(F)cc(F)cc2Br)c1 ZINC000104025887 219339754 /nfs/dbraw/zinc/33/97/54/219339754.db2.gz FLHACYRLADQYCB-UHFFFAOYSA-N 0 0 326.184 4.956 10 0 EJAERN Cc1ccc2[nH]c(SCc3sccc3Br)nc2c1 ZINC000103979227 219335333 /nfs/dbraw/zinc/33/53/33/219335333.db2.gz CXQBYSMXEJSHOV-UHFFFAOYSA-N 0 0 339.283 4.988 10 0 EJAERN COc1ccc(Br)cc1NCc1c(F)cccc1Cl ZINC000103980508 219335384 /nfs/dbraw/zinc/33/53/84/219335384.db2.gz NJQHUARZDKJMHF-UHFFFAOYSA-N 0 0 344.611 4.862 10 0 EJAERN Cc1cc(Nc2nnc(Cl)c(C)c2C)ccc1Br ZINC000104160420 219354087 /nfs/dbraw/zinc/35/40/87/219354087.db2.gz UHLKMFKOPUNZEC-UHFFFAOYSA-N 0 0 326.625 4.561 10 0 EJAERN O=C(Nc1ccnc2cc(C(F)(F)F)ccc21)c1ccccc1F ZINC000041057385 213411091 /nfs/dbraw/zinc/41/10/91/213411091.db2.gz SAZXSRZOOGLTFE-UHFFFAOYSA-N 0 0 334.272 4.645 10 0 EJAERN COc1ccc(C(=O)Nc2ccnc3cc(C(F)(F)F)ccc32)cc1 ZINC000041057439 213410961 /nfs/dbraw/zinc/41/09/61/213410961.db2.gz VCSGEBRXZSOSMI-UHFFFAOYSA-N 0 0 346.308 4.515 10 0 EJAERN CCCCCCNC(=O)c1sc2ccc(OC)cc2c1Cl ZINC000041007622 213408119 /nfs/dbraw/zinc/40/81/19/213408119.db2.gz YUOSQXOLIJTJIG-UHFFFAOYSA-N 0 0 325.861 4.873 10 0 EJAERN CC(C)c1c(Cl)ncnc1Nc1cccc(Br)c1 ZINC000104227824 219363316 /nfs/dbraw/zinc/36/33/16/219363316.db2.gz FMCSVFLLTKXMMA-UHFFFAOYSA-N 0 0 326.625 4.760 10 0 EJAERN CCCOc1cc(Sc2ccc(Br)cc2)ccc1N ZINC000104238688 219364269 /nfs/dbraw/zinc/36/42/69/219364269.db2.gz ULLHQFJDMXMREH-UHFFFAOYSA-N 0 0 338.270 4.971 10 0 EJAERN COc1cccc2sc(NC(=O)/C=C/c3ccccc3Cl)nc21 ZINC000040970446 213404516 /nfs/dbraw/zinc/40/45/16/213404516.db2.gz YNWZMLLCHDJOHE-MDZDMXLPSA-N 0 0 344.823 4.610 10 0 EJAERN C[C@@H](O)c1ccc(Sc2ccc(F)cc2)c(Br)c1 ZINC000104300786 219371526 /nfs/dbraw/zinc/37/15/26/219371526.db2.gz SSDKKGRCFQVZPQ-SECBINFHSA-N 0 0 327.218 4.793 10 0 EJAERN Cc1nc(C)c([C@@H](C)Nc2ccc(F)cc2Br)s1 ZINC000104327086 219374383 /nfs/dbraw/zinc/37/43/83/219374383.db2.gz ITYCTYGTDCLEKX-MRVPVSSYSA-N 0 0 329.238 4.835 10 0 EJAERN COc1cccc(OCC(=O)NC2CCCCCCCCCCC2)c1 ZINC000040945007 213401879 /nfs/dbraw/zinc/40/18/79/213401879.db2.gz UCBJFNNEKBYKCV-UHFFFAOYSA-N 0 0 347.499 4.864 10 0 EJAERN Cc1cc(OCCCC(=O)Nc2cccc(F)c2)cc(C)c1Cl ZINC000040912625 213399431 /nfs/dbraw/zinc/39/94/31/213399431.db2.gz SBGGIMMQGFIVIZ-UHFFFAOYSA-N 0 0 335.806 4.894 10 0 EJAERN CSc1ccccc1OCc1ccc(F)cc1Br ZINC000104339138 219376400 /nfs/dbraw/zinc/37/64/00/219376400.db2.gz BGJHJYHITDYFTC-UHFFFAOYSA-N 0 0 327.218 4.889 10 0 EJAERN CCOc1ccc(/C=C/C(=O)Oc2ccc(Cl)c(C)c2)cc1OC ZINC000040853025 213392615 /nfs/dbraw/zinc/39/26/15/213392615.db2.gz UNTBLBNFBCEMSY-UXBLZVDNSA-N 0 0 346.810 4.675 10 0 EJAERN Cc1ccc(Oc2ncnc(Oc3ccc(C)c(C)c3)c2N)cc1C ZINC000040801977 213388491 /nfs/dbraw/zinc/38/84/91/213388491.db2.gz AZENANZYPUQRGS-UHFFFAOYSA-N 0 0 335.407 4.877 10 0 EJAERN Nc1c(Nc2ccc(F)c(Cl)c2)ncnc1NC1CCCCCC1 ZINC000040797683 213388047 /nfs/dbraw/zinc/38/80/47/213388047.db2.gz SYSRYJFTDGLESW-UHFFFAOYSA-N 0 0 349.841 4.730 10 0 EJAERN Cc1ccc(Sc2ncnc(Sc3ccccc3)c2N)cc1 ZINC000040783169 213387161 /nfs/dbraw/zinc/38/71/61/213387161.db2.gz BJZZZZAIOMKMFZ-UHFFFAOYSA-N 0 0 325.462 4.670 10 0 EJAERN Cc1cc(Oc2ncnc(Oc3ccccc3)c2N)cc(C)c1Cl ZINC000040796052 213386644 /nfs/dbraw/zinc/38/66/44/213386644.db2.gz VRRJYXYDKOFUGY-UHFFFAOYSA-N 0 0 341.798 4.914 10 0 EJAERN Nc1c(Nc2ccccc2Cl)ncnc1Sc1ccccc1 ZINC000040781289 213386224 /nfs/dbraw/zinc/38/62/24/213386224.db2.gz CDAPBVIUSAQWPJ-UHFFFAOYSA-N 0 0 328.828 4.607 10 0 EJAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1cccc2ccccc21 ZINC000040758891 213383380 /nfs/dbraw/zinc/38/33/80/213383380.db2.gz SOKUWKZIEFDNGQ-UHFFFAOYSA-N 0 0 345.381 4.838 10 0 EJAERN Cc1ccc(Nc2ncnc(Nc3cccc(Cl)c3)c2N)c(C)c1 ZINC000040755392 213382696 /nfs/dbraw/zinc/38/26/96/213382696.db2.gz IZYXMLFKKNRNIS-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN Nc1c(OC2CCCCC2)ncnc1Sc1ccc(Cl)cc1 ZINC000040723135 213376568 /nfs/dbraw/zinc/37/65/68/213376568.db2.gz WIJSXUOLTKELGO-UHFFFAOYSA-N 0 0 335.860 4.575 10 0 EJAERN Cc1cc(Oc2ncnc(NC3CCCCC3)c2N)cc(C)c1Cl ZINC000040708698 213372375 /nfs/dbraw/zinc/37/23/75/213372375.db2.gz CIRUTDPCMFXMEO-UHFFFAOYSA-N 0 0 346.862 4.866 10 0 EJAERN Nc1c(NC2CCCCC2)ncnc1Oc1ccc2ccccc2c1 ZINC000040687733 213369525 /nfs/dbraw/zinc/36/95/25/213369525.db2.gz JLBORNQOZOFTRR-UHFFFAOYSA-N 0 0 334.423 4.749 10 0 EJAERN Cc1ccc(C)c(Nc2ncnc(Nc3cccc(C)c3C)c2N)c1 ZINC000040704464 213371827 /nfs/dbraw/zinc/37/18/27/213371827.db2.gz YRWZYGKSFVUHOW-UHFFFAOYSA-N 0 0 333.439 4.780 10 0 EJAERN Cc1ccc(Nc2ncnc(Nc3ccccc3Cl)c2N)cc1C ZINC000040702861 213371903 /nfs/dbraw/zinc/37/19/03/213371903.db2.gz JJWXFZXNPKMMSV-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN Cc1ccc(Nc2ncnc(Oc3cc(C)cc(C)c3)c2N)c(C)c1 ZINC000040681376 213368624 /nfs/dbraw/zinc/36/86/24/213368624.db2.gz VMOSXOLXCIIIOU-UHFFFAOYSA-N 0 0 334.423 4.828 10 0 EJAERN Cc1cc(C)cc(Oc2ncnc(NC3CCCCCC3)c2N)c1 ZINC000040681624 213368202 /nfs/dbraw/zinc/36/82/02/213368202.db2.gz QEZMTNNKYIRMRZ-UHFFFAOYSA-N 0 0 326.444 4.603 10 0 EJAERN CCN(c1ccccc1)c1ncnc(NCCC2=CCCCC2)c1N ZINC000040679558 213368154 /nfs/dbraw/zinc/36/81/54/213368154.db2.gz QUCVUVMZILVEKR-UHFFFAOYSA-N 0 0 337.471 4.519 10 0 EJAERN CCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000001946528 209807753 /nfs/dbraw/zinc/80/77/53/209807753.db2.gz QVHPSFJEKREPKE-JXMROGBWSA-N 0 0 345.826 4.708 10 0 EJAERN CCN(CC)c1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1 ZINC000001927177 209806682 /nfs/dbraw/zinc/80/66/82/209806682.db2.gz QWDXVVMIKBPTEI-MDWZMJQESA-N 0 0 328.843 4.838 10 0 EJAERN Cn1c2ccc(C(F)(F)F)cc2nc1COc1ccccc1Cl ZINC000040410217 213300201 /nfs/dbraw/zinc/30/02/01/213300201.db2.gz BJUVPHLTFIYPMR-UHFFFAOYSA-N 0 0 340.732 4.825 10 0 EJAERN COCCn1c(COc2cccc(C)c2C)nc2cc(Cl)ccc21 ZINC000040404768 213298744 /nfs/dbraw/zinc/29/87/44/213298744.db2.gz HVAABRAZFVPCJN-UHFFFAOYSA-N 0 0 344.842 4.532 10 0 EJAERN CCOCCn1c(Cc2cccc3ccccc32)nc2ccccc21 ZINC000040389698 213296629 /nfs/dbraw/zinc/29/66/29/213296629.db2.gz LLSRNUYUDBPXMD-UHFFFAOYSA-N 0 0 330.431 4.817 10 0 EJAERN COc1ccc(OC)c(Nc2ccnc3c(C)c(Cl)ccc23)c1 ZINC000040358938 213293143 /nfs/dbraw/zinc/29/31/43/213293143.db2.gz GAAKLBWFOFYJKM-UHFFFAOYSA-N 0 0 328.799 4.957 10 0 EJAERN Cc1c2cc(C)ccc2oc1C(=O)NCc1nc2ccccc2s1 ZINC000040324141 213292399 /nfs/dbraw/zinc/29/23/99/213292399.db2.gz QFVGOPLEWBEBKD-UHFFFAOYSA-N 0 0 336.416 4.589 10 0 EJAERN Cc1cccc(NC(=O)Cn2c3ccccc3nc2-c2ccco2)c1C ZINC000040307850 213289844 /nfs/dbraw/zinc/28/98/44/213289844.db2.gz MPTDCIRFDXJFLD-UHFFFAOYSA-N 0 0 345.402 4.552 10 0 EJAERN Cc1ccccc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1 ZINC000040306577 213289873 /nfs/dbraw/zinc/28/98/73/213289873.db2.gz UFMGQGMQCXYFGS-UHFFFAOYSA-N 0 0 341.414 4.650 10 0 EJAERN COc1ccc(Cn2c3ccccc3nc2-c2cccc(OC)c2)cc1 ZINC000040250113 213284921 /nfs/dbraw/zinc/28/49/21/213284921.db2.gz BWCWSZZUTQTADA-UHFFFAOYSA-N 0 0 344.414 4.769 10 0 EJAERN CCc1ccc(OCCn2c3ccccc3nc2-c2ccco2)cc1 ZINC000040239017 213283214 /nfs/dbraw/zinc/28/32/14/213283214.db2.gz KOGGYLUDUIEVBP-UHFFFAOYSA-N 0 0 332.403 4.938 10 0 EJAERN Cc1ccc(C)c(OCCn2c3ccccc3nc2-c2ccco2)c1 ZINC000040239005 213283315 /nfs/dbraw/zinc/28/33/15/213283315.db2.gz QGLLLEWIMHRBHU-UHFFFAOYSA-N 0 0 332.403 4.992 10 0 EJAERN CCCC(=O)NCCCCCc1nc2ccccc2n1CCC(C)C ZINC000040211235 213281570 /nfs/dbraw/zinc/28/15/70/213281570.db2.gz BYSQOLQKQCWGFD-UHFFFAOYSA-N 0 0 343.515 4.712 10 0 EJAERN CCCCCCn1c(CCCCCNC(=O)CC)nc2ccccc21 ZINC000040211073 213281573 /nfs/dbraw/zinc/28/15/73/213281573.db2.gz WALZRXORSVMRJX-UHFFFAOYSA-N 0 0 343.515 4.856 10 0 EJAERN Cc1ccc(Cl)cc1NC(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000040180091 213281096 /nfs/dbraw/zinc/28/10/96/213281096.db2.gz VSCNENFOJVQDEG-UHFFFAOYSA-N 0 0 334.202 4.716 10 0 EJAERN O=C(Nc1cccc2ccccc21)C1=Cc2cc(Cl)ccc2OC1 ZINC000040180069 213281020 /nfs/dbraw/zinc/28/10/20/213281020.db2.gz JLKHIGJLJUBZHM-UHFFFAOYSA-N 0 0 335.790 4.908 10 0 EJAERN CC(C)[C@@H]1CC[C@H](C)C[C@@]1(O)Cc1ccc(Br)cc1 ZINC000037529852 202006600 /nfs/dbraw/zinc/00/66/00/202006600.db2.gz NPQPFJPRUQYUJE-RRQGHBQHSA-N 0 0 325.290 4.815 10 0 EJAERN Cc1cc(-c2oc(=O)n3c2-c2c(C)sc(C)c2CC3)c(C)s1 ZINC000038861199 213230010 /nfs/dbraw/zinc/23/00/10/213230010.db2.gz YEODLKJPLGPRDR-UHFFFAOYSA-N 0 0 331.462 4.688 10 0 EJAERN CC(=O)Oc1ccccc1Nc1nc2c(s1)c(C)c(O)c(C)c2C ZINC000039127714 213231149 /nfs/dbraw/zinc/23/11/49/213231149.db2.gz BTTOPMZLEMCUQB-UHFFFAOYSA-N 0 0 342.420 4.596 10 0 EJAERN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1Cl ZINC000000577312 209670993 /nfs/dbraw/zinc/67/09/93/209670993.db2.gz HZLMWLSMCLGIEO-UHFFFAOYSA-N 0 0 332.787 4.855 10 0 EJAERN COc1cc(Cl)c(C)cc1NCc1ccc(Br)o1 ZINC000019904251 202024826 /nfs/dbraw/zinc/02/48/26/202024826.db2.gz FBFLIOXAOUBCLW-UHFFFAOYSA-N 0 0 330.609 4.625 10 0 EJAERN CCn1c2ccccc2nc1CNc1ccc(F)cc1Br ZINC000038046716 213196827 /nfs/dbraw/zinc/19/68/27/213196827.db2.gz TWJRFBPUAYZGEU-UHFFFAOYSA-N 0 0 348.219 4.570 10 0 EJAERN COc1cc(Br)cc(C)c1N[C@H](C)c1csc(C)n1 ZINC000037776819 202036766 /nfs/dbraw/zinc/03/67/66/202036766.db2.gz RTXVNFJSIDLXDN-SECBINFHSA-N 0 0 341.274 4.704 10 0 EJAERN CC[C@H](CO)Nc1ncnc2scc(-c3ccc(C(C)C)cc3)c21 ZINC000020322194 202038179 /nfs/dbraw/zinc/03/81/79/202038179.db2.gz PUCKRIRCXWHKHR-OAHLLOKOSA-N 0 0 341.480 4.665 10 0 EJAERN C[C@@H](Nc1ccccc1N(C)C)c1ccc(Br)s1 ZINC000038002964 213187700 /nfs/dbraw/zinc/18/77/00/213187700.db2.gz CMXZABFIZKJFHS-SNVBAGLBSA-N 0 0 325.275 4.750 10 0 EJAERN COCc1ccccc1N[C@H](C)c1ccc(Br)s1 ZINC000038002502 213187773 /nfs/dbraw/zinc/18/77/73/213187773.db2.gz VFRYYIMAQYQZFK-SNVBAGLBSA-N 0 0 326.259 4.830 10 0 EJAERN CCC(=CCN1Cc2cc(Cl)cc3[nH]c(=S)n(c32)C[C@H]1C)CC ZINC000026951148 202149765 /nfs/dbraw/zinc/14/97/65/202149765.db2.gz FSSMMXGYUTZUEJ-GFCCVEGCSA-N 0 0 349.931 4.929 10 0 EJAERN Clc1ccc(Oc2ccc3ccccc3c2Br)nn1 ZINC000037977879 213179561 /nfs/dbraw/zinc/17/95/61/213179561.db2.gz ABGPWIUUWHVSSL-UHFFFAOYSA-N 0 0 335.588 4.838 10 0 EJAERN Cc1ccc([C@H](C)N(C)C(=O)c2ccccc2Br)s1 ZINC000037845909 213170261 /nfs/dbraw/zinc/17/02/61/213170261.db2.gz GDUPWSUVTZHOQF-NSHDSACASA-N 0 0 338.270 4.652 10 0 EJAERN COc1cc(Br)cc(C)c1N[C@@H](C)c1csc(C)n1 ZINC000037776818 213166660 /nfs/dbraw/zinc/16/66/60/213166660.db2.gz RTXVNFJSIDLXDN-VIFPVBQESA-N 0 0 341.274 4.704 10 0 EJAERN COc1cc(C)ccc1OCc1cncc(-c2ccc(F)cc2F)c1 ZINC000037554198 213156211 /nfs/dbraw/zinc/15/62/11/213156211.db2.gz QJTGAXRQDPXUGF-UHFFFAOYSA-N 0 0 341.357 4.923 10 0 EJAERN C[C@](O)(Cc1ccccc1Br)c1ccccc1Cl ZINC000037530853 213154467 /nfs/dbraw/zinc/15/44/67/213154467.db2.gz RSIZYYZILCZNGZ-HNNXBMFYSA-N 0 0 325.633 4.553 10 0 EJAERN C[C@](O)(Cc1cccc(Br)c1)c1ccccc1Cl ZINC000037530865 213154257 /nfs/dbraw/zinc/15/42/57/213154257.db2.gz VHECEHBUXYIGFH-HNNXBMFYSA-N 0 0 325.633 4.553 10 0 EJAERN C[C@](O)(Cc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000037530891 213154111 /nfs/dbraw/zinc/15/41/11/213154111.db2.gz FUKSUAHYVVOOLK-HNNXBMFYSA-N 0 0 325.633 4.553 10 0 EJAERN Cc1ccc(OCc2cc(N)ccc2Cl)c(Br)c1 ZINC000037403450 213144431 /nfs/dbraw/zinc/14/44/31/213144431.db2.gz RBXTWKSWBUYQTK-UHFFFAOYSA-N 0 0 326.621 4.572 10 0 EJAERN COc1ccc(Cc2sc(NC(=O)C3CCCCC3)nc2C)cc1 ZINC000036639533 213106444 /nfs/dbraw/zinc/10/64/44/213106444.db2.gz NAVRQIQIXIICIQ-UHFFFAOYSA-N 0 0 344.480 4.570 10 0 EJAERN COc1ccc(COc2ccc(Cl)cc2C)cc1Br ZINC000070138130 215677312 /nfs/dbraw/zinc/67/73/12/215677312.db2.gz UPFGULVPIFOSJE-UHFFFAOYSA-N 0 0 341.632 4.999 10 0 EJAERN CC[C@@H](C)N(Cc1csc(COc2ccccc2)n1)C(=O)C(C)C ZINC000036114505 213070247 /nfs/dbraw/zinc/07/02/47/213070247.db2.gz ALFLWOWFZNVGQD-OAHLLOKOSA-N 0 0 346.496 4.505 10 0 EJAERN CC[C@H](C)N(Cc1csc(COc2ccccc2)n1)C(=O)C(C)C ZINC000036114507 213069986 /nfs/dbraw/zinc/06/99/86/213069986.db2.gz ALFLWOWFZNVGQD-HNNXBMFYSA-N 0 0 346.496 4.505 10 0 EJAERN Cc1ccc(Oc2ccc([C@H](C)O)cc2F)c(Br)c1 ZINC000035632435 213044252 /nfs/dbraw/zinc/04/42/52/213044252.db2.gz LDBNTXNEGRCSIS-JTQLQIEISA-N 0 0 325.177 4.742 10 0 EJAERN CCN[C@@H](c1cc(Cl)sc1Cl)C(F)(F)C(F)(F)F ZINC000035559268 213037873 /nfs/dbraw/zinc/03/78/73/213037873.db2.gz GDYIYGMCOYHNIY-LURJTMIESA-N 0 0 328.133 4.903 10 0 EJAERN CCOC(=O)c1cc2cc(OC)ccc2c(OCc2ccccc2)c1 ZINC000034468772 212977793 /nfs/dbraw/zinc/97/77/93/212977793.db2.gz CRKFYKFGIQZYNI-UHFFFAOYSA-N 0 0 336.387 4.604 10 0 EJAERN O=C(/C=C\c1c(Cl)cccc1Cl)Nc1cc(Cl)ccn1 ZINC000033317175 212924143 /nfs/dbraw/zinc/92/41/43/212924143.db2.gz BPMONPWNCWZZLA-PLNGDYQASA-N 0 0 327.598 4.694 10 0 EJAERN C[C@@H](Nc1ncnc2ccccc21)c1cccc(Br)c1 ZINC000031948949 212770211 /nfs/dbraw/zinc/77/02/11/212770211.db2.gz QUDVISQIVDFLRW-LLVKDONJSA-N 0 0 328.213 4.565 10 0 EJAERN CC(=O)c1cccc(NC(=O)C=Cc2ccc(Cl)c(Cl)c2)c1 ZINC000033606829 202267764 /nfs/dbraw/zinc/26/77/64/202267764.db2.gz NRZNKFIBRUNKOR-VURMDHGXSA-N 0 0 334.202 4.848 10 0 EJAERN Nc1c2ncsc2ccc1Sc1ccc(Br)cc1 ZINC000035060992 202286552 /nfs/dbraw/zinc/28/65/52/202286552.db2.gz LZCPIRAHMSPSAE-UHFFFAOYSA-N 0 0 337.267 4.792 10 0 EJAERN Cc1sc2nc(CCc3ccccc3)nc(N3CCCC3)c2c1C ZINC000035892869 202310898 /nfs/dbraw/zinc/31/08/98/202310898.db2.gz JMGPKOGCXJNBRM-UHFFFAOYSA-N 0 0 337.492 4.694 10 0 EJAERN Cc1cc(Br)cn2cc(-c3ccc4c(c3)CCCC4)nc12 ZINC000036317405 202321725 /nfs/dbraw/zinc/32/17/25/202321725.db2.gz RFZKSRHRFJCWSJ-UHFFFAOYSA-N 0 0 341.252 4.951 10 0 EJAERN C[C@H](Nc1nc(Nc2cccnc2)nc2ccccc21)c1ccccc1 ZINC000072260992 216085573 /nfs/dbraw/zinc/08/55/73/216085573.db2.gz FBHIRYSVQPFARV-HNNXBMFYSA-N 0 0 341.418 4.942 10 0 EJAERN Cc1ccc(CNc2nc(N3CCCCC3)nc3ccccc32)cc1 ZINC000072260658 216085753 /nfs/dbraw/zinc/08/57/53/216085753.db2.gz USIXVOVRJMWFKY-UHFFFAOYSA-N 0 0 332.451 4.541 10 0 EJAERN CC(C)(C)c1cc(Cl)nc(-c2ccc(Br)s2)n1 ZINC000036755846 202330771 /nfs/dbraw/zinc/33/07/71/202330771.db2.gz JLPMJBCFJXFSCC-UHFFFAOYSA-N 0 0 331.666 4.919 10 0 EJAERN COCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccc(C)cc1 ZINC000040404533 202438156 /nfs/dbraw/zinc/43/81/56/202438156.db2.gz UDTRBKOEAYSGPI-UHFFFAOYSA-N 0 0 334.341 4.677 10 0 EJAERN Cc1ccc(Nc2ncnc(Nc3cccc(Cl)c3C)c2N)cc1 ZINC000040701578 202460426 /nfs/dbraw/zinc/46/04/26/202460426.db2.gz MSTSYSYGWUTZRC-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN CCOc1c(Br)cc(Cl)cc1N[C@@H]1C[C@@H]2CC=C[C@H]12 ZINC000037283958 213137437 /nfs/dbraw/zinc/13/74/37/213137437.db2.gz YDVGKRMIIZIWKW-XHVZSJERSA-N 0 0 342.664 4.878 10 0 EJAERN COC(=O)c1sc(Nc2cccc(Cl)c2Cl)nc1Cl ZINC000037578998 213158578 /nfs/dbraw/zinc/15/85/78/213158578.db2.gz CZZKHZYMPLERMC-UHFFFAOYSA-N 0 0 337.615 4.634 10 0 EJAERN CCOc1ccc(NCc2cc(Br)cs2)c(C)c1 ZINC000037781891 213167135 /nfs/dbraw/zinc/16/71/35/213167135.db2.gz PQCFVNJOLFNUES-UHFFFAOYSA-N 0 0 326.259 4.830 10 0 EJAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000057342063 201138412 /nfs/dbraw/zinc/13/84/12/201138412.db2.gz GCTYMXZAYLGONG-UHFFFAOYSA-N 0 0 345.324 4.508 10 0 EJAERN Clc1nc(Nc2cccc(Br)c2)nc2c1CCCC2 ZINC000057343390 201139421 /nfs/dbraw/zinc/13/94/21/201139421.db2.gz ZXEAYGWKIPSBOY-UHFFFAOYSA-N 0 0 338.636 4.515 10 0 EJAERN Cc1cccc2c1nc(-c1cccnc1)n2Cc1c(F)cccc1F ZINC000005931359 201361639 /nfs/dbraw/zinc/36/16/39/201361639.db2.gz DHLYGJHIIZQQKU-UHFFFAOYSA-N 0 0 335.357 4.733 10 0 EJAERN CCOP(=O)(OCC)Oc1noc(-c2ccccc2)c1Cl ZINC000003624058 201359962 /nfs/dbraw/zinc/35/99/62/201359962.db2.gz BBCWAAAUDNPDNG-UHFFFAOYSA-N 0 0 331.692 4.555 10 0 EJAERN FC(F)(F)c1ccc(-c2nc(Cl)cc(-c3cccnc3)n2)cc1 ZINC000073695387 216413349 /nfs/dbraw/zinc/41/33/49/216413349.db2.gz RLBNRGFQEJHTRY-UHFFFAOYSA-N 0 0 335.716 4.878 10 0 EJAERN C[C@@H](NCc1cc(F)ccc1Br)c1cc(F)ccc1F ZINC000038038951 213195993 /nfs/dbraw/zinc/19/59/93/213195993.db2.gz IPVGAIYQEWVSPA-SECBINFHSA-N 0 0 344.174 4.717 10 0 EJAERN O=C(c1cccc(C(F)(F)F)c1)c1ccccc1Br ZINC000055200099 202684426 /nfs/dbraw/zinc/68/44/26/202684426.db2.gz MRGHHWURPQBOGL-UHFFFAOYSA-N 0 0 329.115 4.699 10 0 EJAERN O=C(c1cccs1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000023307033 212368173 /nfs/dbraw/zinc/36/81/73/212368173.db2.gz MGIDNXLDYRTZTQ-IBGZPJMESA-N 0 0 337.419 4.675 10 0 EJAERN O=C(Nc1ccc(F)cc1F)c1cccc(Oc2cccc(F)c2)n1 ZINC000211681884 241082931 /nfs/dbraw/zinc/08/29/31/241082931.db2.gz KOWVWPSXIVLULZ-UHFFFAOYSA-N 0 0 344.292 4.544 10 0 EJAERN COC(=O)c1cc2c(cncc2Oc2ccc(-c3ccccc3)cc2)[nH]1 ZINC000202093245 241039400 /nfs/dbraw/zinc/03/94/00/241039400.db2.gz UGGHUZUYYXXTFV-UHFFFAOYSA-N 0 0 344.370 4.809 10 0 EJAERN CSc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000000423954 201470883 /nfs/dbraw/zinc/47/08/83/201470883.db2.gz GXLJJUXLRPAEAN-INIZCTEOSA-N 0 0 335.881 4.841 10 0 EJAERN Brc1ccc(COc2cccc(Br)c2)s1 ZINC000021023198 212200968 /nfs/dbraw/zinc/20/09/68/212200968.db2.gz BOOUNECJTHGLBH-UHFFFAOYSA-N 0 0 348.059 4.852 10 0 EJAERN CCOc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(OC)cc1 ZINC000021022555 212200186 /nfs/dbraw/zinc/20/01/86/212200186.db2.gz GNDCDBLNRGFDKQ-UHFFFAOYSA-N 0 0 340.206 4.653 10 0 EJAERN Cc1ccc(NC(=O)C2[C@H]3CC[C@@H]4[C@H](CC[C@H]23)C4(Cl)Cl)cc1 ZINC000005340500 201647731 /nfs/dbraw/zinc/64/77/31/201647731.db2.gz RBSXVVJDEPZIAL-WDFJATGCSA-N 0 0 338.278 4.790 10 0 EJAERN CC1(C)CC/C(=C\c2ccc(Cl)cc2)C[C@]1(O)Cn1ccnc1 ZINC000020568271 212148097 /nfs/dbraw/zinc/14/80/97/212148097.db2.gz DMYSWZSVMPWRKX-SKTWIKFTSA-N 0 0 330.859 4.561 10 0 EJAERN C[C@@H](CNc1ccc(I)cc1)c1ccccc1 ZINC000020477213 212135527 /nfs/dbraw/zinc/13/55/27/212135527.db2.gz RFUKEUNDTFNTHI-LBPRGKRZSA-N 0 0 337.204 4.507 10 0 EJAERN O=C(c1ccc(C2CCCCC2)cc1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000071933844 203154246 /nfs/dbraw/zinc/15/42/46/203154246.db2.gz AOSDZHQGIFNHCB-PMACEKPBSA-N 0 0 327.468 4.518 10 0 EJAERN Fc1ccc(Br)c(CNc2ccc(F)c(F)c2F)c1 ZINC000020044829 212097068 /nfs/dbraw/zinc/09/70/68/212097068.db2.gz IJDIQSBVLSZRCE-UHFFFAOYSA-N 0 0 334.110 4.618 10 0 EJAERN Fc1ccc(CNc2ccc(Br)cc2F)c(Cl)c1 ZINC000020002164 212093582 /nfs/dbraw/zinc/09/35/82/212093582.db2.gz BBYDWHNDUKFZRV-UHFFFAOYSA-N 0 0 332.575 4.993 10 0 EJAERN Cc1cc(N[C@@H](C)c2ccc3c(c2)OCO3)ccc1Br ZINC000019908126 212083022 /nfs/dbraw/zinc/08/30/22/212083022.db2.gz GAWNQAVLFHPVAW-NSHDSACASA-N 0 0 334.213 4.659 10 0 EJAERN COc1ccc([C@@H](C)Nc2ccccc2Br)cc1OC ZINC000019922880 212084799 /nfs/dbraw/zinc/08/47/99/212084799.db2.gz JSVYJYPIHCNXHS-LLVKDONJSA-N 0 0 336.229 4.639 10 0 EJAERN C[C@H](Nc1ccc(Br)cc1)c1ccc2c(c1)OCCCO2 ZINC000019923213 212084403 /nfs/dbraw/zinc/08/44/03/212084403.db2.gz LVMPKLRBJZRCIV-LBPRGKRZSA-N 0 0 348.240 4.784 10 0 EJAERN NC(=S)c1ccc(Oc2ccc(Cl)cc2Br)cc1 ZINC000019867173 212077997 /nfs/dbraw/zinc/07/79/97/212077997.db2.gz GYQPXUXBXYZGFW-UHFFFAOYSA-N 0 0 342.645 4.529 10 0 EJAERN O=C(Nc1ccccc1Br)c1ccc2ccccc2c1O ZINC000019807267 212071324 /nfs/dbraw/zinc/07/13/24/212071324.db2.gz SRMZKWHBFQHZGU-UHFFFAOYSA-N 0 0 342.192 4.560 10 0 EJAERN Fc1ccc(Oc2ncccc2C(F)(F)F)c(Br)c1 ZINC000019806535 212070772 /nfs/dbraw/zinc/07/07/72/212070772.db2.gz LNMAHYFBJGDBMT-UHFFFAOYSA-N 0 0 336.082 4.794 10 0 EJAERN Oc1ccc(CN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)cc1 ZINC000019742656 212060212 /nfs/dbraw/zinc/06/02/12/212060212.db2.gz MJXAAAREBDBFNQ-JOCHJYFZSA-N 0 0 349.405 4.667 10 0 EJAERN CC(C)(C)OC(=O)N1CC(c2cccc(OCc3ccccc3)c2)C1 ZINC000085210406 203542204 /nfs/dbraw/zinc/54/22/04/203542204.db2.gz SCJCVBHVQBPKFR-UHFFFAOYSA-N 0 0 339.435 4.600 10 0 EJAERN C[C@H](OCCCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc[nH]1 ZINC000095089547 203712700 /nfs/dbraw/zinc/71/27/00/203712700.db2.gz GEENSIOBQZAVDK-HNNXBMFYSA-N 0 0 336.476 4.520 10 0 EJAERN CC[C@@H]1CCC(=O)[C@H](CCOc2cccc(Br)c2)C1 ZINC000103933258 204088772 /nfs/dbraw/zinc/08/87/72/204088772.db2.gz ALUSFYATOIHBTD-CHWSQXEVSA-N 0 0 325.246 4.613 10 0 EJAERN Cc1c(N)c2cc(Br)cc(Cl)c2nc1C(F)(F)F ZINC000104218801 204101355 /nfs/dbraw/zinc/10/13/55/204101355.db2.gz PLBWCBIDUGISGN-UHFFFAOYSA-N 0 0 339.542 4.560 10 0 EJAERN O[C@H](Cc1ccc(F)c(Br)c1)c1cccc(Cl)c1 ZINC000049598385 214021757 /nfs/dbraw/zinc/02/17/57/214021757.db2.gz PFAGRPLSZUTTQP-CQSZACIVSA-N 0 0 329.596 4.518 10 0 EJAERN C[C@@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1cccc(Cl)c1 ZINC000015562096 211830762 /nfs/dbraw/zinc/83/07/62/211830762.db2.gz QUJSXWCVUPCFEN-MRVPVSSYSA-N 0 0 329.614 4.533 10 0 EJAERN C[C@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1cccc(Cl)c1 ZINC000015562097 211830519 /nfs/dbraw/zinc/83/05/19/211830519.db2.gz QUJSXWCVUPCFEN-QMMMGPOBSA-N 0 0 329.614 4.533 10 0 EJAERN CCNc1ncccc1COc1ccc(Cl)cc1Br ZINC000052754633 206085265 /nfs/dbraw/zinc/08/52/65/206085265.db2.gz CLOZQDLHZBJASG-UHFFFAOYSA-N 0 0 341.636 4.508 10 0 EJAERN Cc1cc(NC(=O)c2cccc(OC(C)C)c2)ccc1Br ZINC000000514191 206238797 /nfs/dbraw/zinc/23/87/97/206238797.db2.gz RIDGYLDWFFSCPI-UHFFFAOYSA-N 0 0 348.240 4.797 10 0 EJAERN Cc1cccc(NC(=O)c2ccccc2-c2nc3ccccc3[nH]2)c1 ZINC000013233617 211537887 /nfs/dbraw/zinc/53/78/87/211537887.db2.gz UYYYPIOBIOCJLR-UHFFFAOYSA-N 0 0 327.387 4.791 10 0 EJAERN C[C@@H](O)c1ccc(N(C)CC2CCCCC2)c(Br)c1 ZINC000104172574 206486988 /nfs/dbraw/zinc/48/69/88/206486988.db2.gz VGDGQYUUUOYKRH-GFCCVEGCSA-N 0 0 326.278 4.519 10 0 EJAERN c1c[nH]c(CN2CCc3c4ccccc4[nH]c3[C@H]2C2CCCCC2)n1 ZINC000012444751 211385094 /nfs/dbraw/zinc/38/50/94/211385094.db2.gz FGRGUJPSVCNTFV-OAQYLSRUSA-N 0 0 334.467 4.571 10 0 EJAERN C[C@H](NC(=O)[C@H](C)Sc1ccc2ccccc2n1)c1ccccc1 ZINC000010962091 211197269 /nfs/dbraw/zinc/19/72/69/211197269.db2.gz VWVKGXNWSSWNIA-GJZGRUSLSA-N 0 0 336.460 4.593 10 0 EJAERN O=C(C1CCCCC1)n1c(COc2ccccc2)nc2ccccc21 ZINC000010151129 211150135 /nfs/dbraw/zinc/15/01/35/211150135.db2.gz QXJSKBVASAECBO-UHFFFAOYSA-N 0 0 334.419 4.836 10 0 EJAERN O=C(NCc1ccc(F)cc1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000009528913 211097887 /nfs/dbraw/zinc/09/78/87/211097887.db2.gz DNFLTZTYDQIGPO-UHFFFAOYSA-N 0 0 346.361 4.564 10 0 EJAERN Cc1cc(-c2csc(N)n2)c(C)n1Cc1ccc(C(C)C)cc1 ZINC000009330689 211070108 /nfs/dbraw/zinc/07/01/08/211070108.db2.gz SAVOXAVBRFTKDC-UHFFFAOYSA-N 0 0 325.481 4.982 10 0 EJAERN FC(F)(F)c1nc2cccnc2n1Cc1ccc(Cl)cc1Cl ZINC000095076875 218274122 /nfs/dbraw/zinc/27/41/22/218274122.db2.gz ZPLOMJHDUIRRCO-UHFFFAOYSA-N 0 0 346.139 4.805 10 0 EJAERN C[C@H](OCCCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccco1 ZINC000095089549 218279058 /nfs/dbraw/zinc/27/90/58/218279058.db2.gz FGGRKLMUXQAMKS-HNNXBMFYSA-N 0 0 337.460 4.785 10 0 EJAERN C[C@@H](OC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000095089344 218279250 /nfs/dbraw/zinc/27/92/50/218279250.db2.gz ZWNKMUJCMLLGJB-ZIAGYGMSSA-N 0 0 325.474 4.615 10 0 EJAERN CC(C)CNC(=O)C[C@H](c1c[nH]c2ccccc21)c1cccc(F)c1 ZINC000006739810 210695828 /nfs/dbraw/zinc/69/58/28/210695828.db2.gz DKGGEVDOEFFYKD-SFHVURJKSA-N 0 0 338.426 4.601 10 0 EJAERN Cc1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(C(C)(C)C)c1 ZINC000005542122 210485527 /nfs/dbraw/zinc/48/55/27/210485527.db2.gz WHZIZDHTGLYSEY-UHFFFAOYSA-N 0 0 325.452 4.927 10 0 EJAERN Cc1ccc(Oc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1C ZINC000005363770 210449578 /nfs/dbraw/zinc/44/95/78/210449578.db2.gz JHBXHHJTAQZXCN-UHFFFAOYSA-N 0 0 343.382 4.896 10 0 EJAERN COc1ccccc1[C@@H](c1ccc(Cl)cc1)n1nnc2ccccc21 ZINC000005361996 210449694 /nfs/dbraw/zinc/44/96/94/210449694.db2.gz DQFZZPKVUAIPJH-HXUWFJFHSA-N 0 0 349.821 4.731 10 0 EJAERN C/C=C/c1cc2c(c(OC)c1)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C ZINC000005132926 210396800 /nfs/dbraw/zinc/39/68/00/210396800.db2.gz ITFKWUHXYCXXFF-DTTGGASTSA-N 0 0 340.419 4.983 10 0 biogenic,in-vitro EJAERN CN(C(=O)C1CCCCC1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000004965929 210342260 /nfs/dbraw/zinc/34/22/60/210342260.db2.gz HASAFUHHKOINNV-HXUWFJFHSA-N 0 0 347.886 4.717 10 0 EJAERN O=C1c2ccccc2[C@H](Nc2ccc(F)cc2)N1Cc1ccccc1 ZINC000004960453 210341017 /nfs/dbraw/zinc/34/10/17/210341017.db2.gz QEQJLQSFVRRDIF-HXUWFJFHSA-N 0 0 332.378 4.592 10 0 EJAERN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC(=O)[C@]4(C)[C@H]3CC[C@]12C ZINC000118912685 221202217 /nfs/dbraw/zinc/20/22/17/221202217.db2.gz VRKZRMXFPPHWKJ-LHWNCXSESA-N 0 0 332.484 4.530 10 0 EJAERN C[C@@H]1C(=O)N(c2cnc3ccccc3c2)c2cccc(F)c2C1(C)C ZINC000090660238 135642466 /nfs/dbraw/zinc/64/24/66/135642466.db2.gz WWQWPLDEULNUJX-CYBMUJFWSA-N 0 0 334.394 4.966 10 0 EJAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Cl)ccc1Cl ZINC000125366935 222553676 /nfs/dbraw/zinc/55/36/76/222553676.db2.gz TZZCRISTGMTZSS-PSASIEDQSA-N 0 0 340.172 4.844 10 0 EJAERN C[C@H](C1C(C)(C)C1(C)C)N(C(=O)c1ccc(N)cc1)c1ccccc1 ZINC000000045173 563213262 /nfs/dbraw/zinc/21/32/62/563213262.db2.gz RQBIIVCGYWGOPX-OAHLLOKOSA-N 0 0 336.479 4.986 10 0 EJAERN Cc1nn(C(=O)c2ccccc2)c(C)c1Oc1ccc(Cl)cc1 ZINC000000124146 563235861 /nfs/dbraw/zinc/23/58/61/563235861.db2.gz UTCQVNWZRDIMIH-UHFFFAOYSA-N 0 0 326.783 4.634 10 0 EJAERN CCc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)Cc1cccs1 ZINC000034794281 563479643 /nfs/dbraw/zinc/47/96/43/563479643.db2.gz YQKKZAPXOWQXBI-UHFFFAOYSA-N 0 0 345.855 4.535 10 0 EJAERN O=C(Nc1ccc(Cl)cc1)c1c2[nH]c3ccccc3c2ccc1O ZINC000005935079 563554721 /nfs/dbraw/zinc/55/47/21/563554721.db2.gz AIYBQVVTHZHPDG-UHFFFAOYSA-N 0 0 336.778 4.932 10 0 EJAERN COc1ccccc1CNCc1ccc(-c2cccc(Cl)c2)o1 ZINC000013720656 563716475 /nfs/dbraw/zinc/71/64/75/563716475.db2.gz ROWNIOXAJSBAGU-UHFFFAOYSA-N 0 0 327.811 4.898 10 0 EJAERN Cc1nn(C(C)C)cc1NCc1cc(Cl)ccc1Br ZINC000725242792 563975093 /nfs/dbraw/zinc/97/50/93/563975093.db2.gz YWSZXVNPUFRYSS-UHFFFAOYSA-N 0 0 342.668 4.800 10 0 EJAERN Cc1nn(C(C)C)cc1NCc1ccc(Cl)cc1Br ZINC000725242714 563975099 /nfs/dbraw/zinc/97/50/99/563975099.db2.gz WSOPURVXLPRKRH-UHFFFAOYSA-N 0 0 342.668 4.800 10 0 EJAERN Cc1c(Br)cncc1-c1nn(C(C)C)cc1C(F)F ZINC000725271181 563988063 /nfs/dbraw/zinc/98/80/63/563988063.db2.gz YXUZKZDZQZSATR-UHFFFAOYSA-N 0 0 330.176 4.535 10 0 EJAERN FC(F)(F)c1ccccc1-c1cc(C(F)(F)F)c(Cl)nn1 ZINC000536959946 564091795 /nfs/dbraw/zinc/09/17/95/564091795.db2.gz MUHAWXDKLVPGMZ-UHFFFAOYSA-N 0 0 326.627 4.835 10 0 EJAERN S=C1c2cccc3cccc(c32)C(=S)N1c1nc2ccccc2[nH]1 ZINC000048554237 564129396 /nfs/dbraw/zinc/12/93/96/564129396.db2.gz BAWLRZQHPGKUSI-UHFFFAOYSA-N 0 0 345.452 4.587 10 0 EJAERN CCC[C@H](C)C(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960405 564177134 /nfs/dbraw/zinc/17/71/34/564177134.db2.gz JFDOIPSUTRYCOB-INIZCTEOSA-N 0 0 333.472 4.819 10 0 EJAERN CCCCCCC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960583 564177143 /nfs/dbraw/zinc/17/71/43/564177143.db2.gz SQLOPVZYZIMGOT-UHFFFAOYSA-N 0 0 333.472 4.963 10 0 EJAERN Cc1ccc(N2C(=O)/C(=C\C=C\c3ccco3)SC2=S)c(C)c1 ZINC000027533624 564177406 /nfs/dbraw/zinc/17/74/06/564177406.db2.gz FBYZRCCCCSZSDA-FWPHUCDGSA-N 0 0 341.457 4.858 10 0 EJAERN NC(=S)c1ccccc1Oc1ccc(Cl)cc1Br ZINC000020077482 212099267 /nfs/dbraw/zinc/09/92/67/212099267.db2.gz BZRIEFJJNHDKOO-UHFFFAOYSA-N 0 0 342.645 4.529 10 0 EJAERN Nc1onc(-c2ccc(Br)cc2F)c1-c1cccs1 ZINC000052901982 214153118 /nfs/dbraw/zinc/15/31/18/214153118.db2.gz OKUXPRZQLINTRO-UHFFFAOYSA-N 0 0 339.189 4.554 10 0 EJAERN O=C(Cc1ccc(Cl)cc1)Cc1cc(Br)ccc1F ZINC000053764400 214197681 /nfs/dbraw/zinc/19/76/81/214197681.db2.gz UNYFDDWOHWECON-UHFFFAOYSA-N 0 0 341.607 4.596 10 0 EJAERN CCCCc1nnc(NC(=O)c2oc3ccc(CC)cc3c2C)s1 ZINC000054644914 214246895 /nfs/dbraw/zinc/24/68/95/214246895.db2.gz RQOCHFIWSFQIBA-UHFFFAOYSA-N 0 0 343.452 4.750 10 0 EJAERN Cc1cc([C@H]2CCCCN2Cc2ccc(OC(F)(F)F)cc2)no1 ZINC000097756377 219054575 /nfs/dbraw/zinc/05/45/75/219054575.db2.gz RNGCOODSDWGRAT-MRXNPFEDSA-N 0 0 340.345 4.609 10 0 EJAERN Nc1cc(CSc2cccc(Br)c2)ccc1Cl ZINC000055306798 214303762 /nfs/dbraw/zinc/30/37/62/214303762.db2.gz RAHICZWLQSUQSF-UHFFFAOYSA-N 0 0 328.662 4.977 10 0 EJAERN Nc1ccc(Sc2cccc(Br)c2)c2cccnc12 ZINC000055306696 214303900 /nfs/dbraw/zinc/30/39/00/214303900.db2.gz TWZFLJRPWZAYBL-UHFFFAOYSA-N 0 0 331.238 4.731 10 0 EJAERN Cc1ccc([C@H](C)NC(=O)c2c(C)onc2-c2ccccc2Cl)o1 ZINC000098076783 219079572 /nfs/dbraw/zinc/07/95/72/219079572.db2.gz SBDKOJRVEJCUFW-NSHDSACASA-N 0 0 344.798 4.696 10 0 EJAERN Fc1ccc(C(F)(F)c2nc(Cl)c3ccc(F)cc3n2)cc1 ZINC000098178748 219086666 /nfs/dbraw/zinc/08/66/66/219086666.db2.gz JTCZHABGAOIZRS-UHFFFAOYSA-N 0 0 326.680 4.702 10 0 EJAERN COC(=O)c1ccc(-c2nc(-c3ccccc3)sc2Cl)cc1 ZINC000066054668 215004173 /nfs/dbraw/zinc/00/41/73/215004173.db2.gz CKHPHIRZKAONSH-UHFFFAOYSA-N 0 0 329.808 4.917 10 0 EJAERN O=C(Cc1c(F)cccc1Cl)c1cccc(Br)c1 ZINC000103946253 219331046 /nfs/dbraw/zinc/33/10/46/219331046.db2.gz LDDCTNZKYPTUEZ-UHFFFAOYSA-N 0 0 327.580 4.667 10 0 EJAERN C[C@](O)(Cc1ccc(F)c(Br)c1)c1ccc(Cl)cc1 ZINC000103939292 219331458 /nfs/dbraw/zinc/33/14/58/219331458.db2.gz HVKSWCZLJGQTEF-HNNXBMFYSA-N 0 0 343.623 4.692 10 0 EJAERN Cc1ccc(OCCNc2ccc(Cl)cc2)c(Br)c1 ZINC000104013055 219339118 /nfs/dbraw/zinc/33/91/18/219339118.db2.gz YILIZSUPCGYSLK-UHFFFAOYSA-N 0 0 340.648 4.902 10 0 EJAERN Ic1ccc(N[C@@H](c2ccccc2)C2CC2)cc1 ZINC000104027506 219340317 /nfs/dbraw/zinc/34/03/17/219340317.db2.gz LNQWLQYTMOUGLC-INIZCTEOSA-N 0 0 349.215 4.854 10 0 EJAERN COc1ccc(Br)cc1[C@H](O)C[C@H](C)CC(C)(C)C ZINC000104040814 219341024 /nfs/dbraw/zinc/34/10/24/219341024.db2.gz LYBBKYLAPHNJMK-SMDDNHRTSA-N 0 0 329.278 4.954 10 0 EJAERN CC(C)C1CCC(Nc2ccc(I)cc2)CC1 ZINC000104027494 219340634 /nfs/dbraw/zinc/34/06/34/219340634.db2.gz WAFVFLQUBRBFOD-UHFFFAOYSA-N 0 0 343.252 4.918 10 0 EJAERN COc1ccc(Cl)cc1COc1ccc(Br)cc1C ZINC000104171941 219354042 /nfs/dbraw/zinc/35/40/42/219354042.db2.gz LXCDKZNSRZFFII-UHFFFAOYSA-N 0 0 341.632 4.999 10 0 EJAERN Ic1ccc(Oc2ccnc3ccccc32)cc1 ZINC000104176913 219355521 /nfs/dbraw/zinc/35/55/21/219355521.db2.gz YINHUFJRGXFYJE-UHFFFAOYSA-N 0 0 347.155 4.632 10 0 EJAERN NC(=S)c1cc(Cl)ccc1Oc1ccc(Br)cc1 ZINC000104180277 219355569 /nfs/dbraw/zinc/35/55/69/219355569.db2.gz KZQMZJYWUZRZLO-UHFFFAOYSA-N 0 0 342.645 4.529 10 0 EJAERN Cc1cc(Br)ccc1[C@@H](O)Cc1ccc(Cl)cc1 ZINC000104177778 219355872 /nfs/dbraw/zinc/35/58/72/219355872.db2.gz UKFFXXVLYSJXRZ-HNNXBMFYSA-N 0 0 325.633 4.687 10 0 EJAERN CC(C)c1c(Cl)ncnc1Nc1cc(Br)ccc1F ZINC000104212348 219361081 /nfs/dbraw/zinc/36/10/81/219361081.db2.gz RUHCHJYSSWPZCY-UHFFFAOYSA-N 0 0 344.615 4.899 10 0 EJAERN C[C@@H](O)c1cc(F)ccc1Sc1cccc(Br)c1 ZINC000104291121 219371157 /nfs/dbraw/zinc/37/11/57/219371157.db2.gz OZXQGWIRQVLUCI-SECBINFHSA-N 0 0 327.218 4.793 10 0 EJAERN Nc1onc(-c2sccc2Br)c1-c1ccccc1F ZINC000104301282 219372823 /nfs/dbraw/zinc/37/28/23/219372823.db2.gz BZDVOIMKKZIBJN-UHFFFAOYSA-N 0 0 339.189 4.554 10 0 EJAERN Cc1cccc(C(C)C)c1NC(=S)NC(=O)CCc1ccccc1 ZINC000040898534 213398439 /nfs/dbraw/zinc/39/84/39/213398439.db2.gz CPFSLCWPWQKRDQ-UHFFFAOYSA-N 0 0 340.492 4.564 10 0 EJAERN Cc1ccc(/C=C/C(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000040883561 213397805 /nfs/dbraw/zinc/39/78/05/213397805.db2.gz YMJIBRLXZYUSQP-VAWYXSNFSA-N 0 0 327.453 4.546 10 0 EJAERN Cc1ccc(C)c(NC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1 ZINC000040883961 213397132 /nfs/dbraw/zinc/39/71/32/213397132.db2.gz JNYDTHJMVITAOC-UHFFFAOYSA-N 0 0 325.408 4.507 10 0 EJAERN CCOc1ccc(/C=C/C(=O)Oc2cccc(Cl)c2)cc1OCC ZINC000040869465 213396500 /nfs/dbraw/zinc/39/65/00/213396500.db2.gz OAKIYCXVLJSTPI-PKNBQFBNSA-N 0 0 346.810 4.756 10 0 EJAERN Nc1c(Nc2cccc(Cl)c2)ncnc1Nc1cccc(Cl)c1 ZINC000040781743 213385641 /nfs/dbraw/zinc/38/56/41/213385641.db2.gz BDJNQRBVLVMQPZ-UHFFFAOYSA-N 0 0 346.221 4.853 10 0 EJAERN Cc1ccc(Oc2ncnc(Nc3cccc(C)c3C)c2N)cc1C ZINC000040755282 213383258 /nfs/dbraw/zinc/38/32/58/213383258.db2.gz QVGNCRHDMMDEHS-UHFFFAOYSA-N 0 0 334.423 4.828 10 0 EJAERN Cc1ccc(Nc2ncnc(Nc3ccccc3Cl)c2N)c(C)c1 ZINC000040755384 213382761 /nfs/dbraw/zinc/38/27/61/213382761.db2.gz QDKHHIYANCNMDN-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN Cc1ccc(C)c(Nc2ncnc(NC3CCCCCC3)c2N)c1 ZINC000040704713 213371949 /nfs/dbraw/zinc/37/19/49/213371949.db2.gz JKCMZBJPTWDQBD-UHFFFAOYSA-N 0 0 325.460 4.554 10 0 EJAERN Nc1c(Nc2ccccc2C(F)(F)F)ncnc1Oc1ccccc1 ZINC000040701842 213371284 /nfs/dbraw/zinc/37/12/84/213371284.db2.gz PISGCJJWYJIQEV-UHFFFAOYSA-N 0 0 346.312 4.614 10 0 EJAERN Cc1cccc(Nc2ncnc(Nc3ccc(C)c(Cl)c3)c2N)c1 ZINC000040703715 213372064 /nfs/dbraw/zinc/37/20/64/213372064.db2.gz JNRRWMUXERZIEC-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN Cc1cccc(Nc2ncnc(Nc3ccc(Cl)cc3C)c2N)c1 ZINC000040703292 213372191 /nfs/dbraw/zinc/37/21/91/213372191.db2.gz TYPZSHJTFBEMQP-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN CCN(c1cccc2ccccc21)c1ncnc(NC(C)(C)C)c1N ZINC000040680392 213368541 /nfs/dbraw/zinc/36/85/41/213368541.db2.gz CJEKZOOMRYTKJP-UHFFFAOYSA-N 0 0 335.455 4.580 10 0 EJAERN CCc1ccc(Oc2ncnc(N(CC)c3ccccc3)c2N)cc1 ZINC000040679818 213368628 /nfs/dbraw/zinc/36/86/28/213368628.db2.gz FGZCTSOEUYQMTA-UHFFFAOYSA-N 0 0 334.423 4.572 10 0 EJAERN Nc1c(Nc2ccccc2F)ncnc1Oc1cccc2ccccc21 ZINC000040683154 213368424 /nfs/dbraw/zinc/36/84/24/213368424.db2.gz UVXQUMGILZKNCE-UHFFFAOYSA-N 0 0 346.365 4.887 10 0 EJAERN Cc1cc(C)cc(Oc2ncnc(Nc3ccc(Cl)cc3)c2N)c1 ZINC000040681462 213368512 /nfs/dbraw/zinc/36/85/12/213368512.db2.gz MFJIVAHZKKPKEY-UHFFFAOYSA-N 0 0 340.814 4.865 10 0 EJAERN Cc1cc(C)cc(Oc2ncnc(Nc3cccc(Cl)c3)c2N)c1 ZINC000040681456 213368182 /nfs/dbraw/zinc/36/81/82/213368182.db2.gz JZDABOVJOOUGLB-UHFFFAOYSA-N 0 0 340.814 4.865 10 0 EJAERN CCc1ccc(Oc2ncnc(Oc3cc(C)cc(C)c3)c2N)cc1 ZINC000040681643 213368302 /nfs/dbraw/zinc/36/83/02/213368302.db2.gz JUCVBJMPOSKQJX-UHFFFAOYSA-N 0 0 335.407 4.823 10 0 EJAERN CCCC(=O)Nc1scc(-c2ccc(C)c(C)c2)c1C(=O)OCC ZINC000001906297 209803346 /nfs/dbraw/zinc/80/33/46/209803346.db2.gz SMWIJSMXIGKLPU-UHFFFAOYSA-N 0 0 345.464 4.947 10 0 EJAERN FC(F)(F)c1cc(Br)ccc1NCc1cscn1 ZINC000040505182 213325339 /nfs/dbraw/zinc/32/53/39/213325339.db2.gz YMVFTACCTHATMC-UHFFFAOYSA-N 0 0 337.164 4.537 10 0 EJAERN FC(F)(F)c1ccc2c(c1)nc(-c1ccco1)n2Cc1ccco1 ZINC000040409690 213299781 /nfs/dbraw/zinc/29/97/81/213299781.db2.gz VTYBIVHVKWYWCH-UHFFFAOYSA-N 0 0 332.281 4.956 10 0 EJAERN CCOCCCn1c(COc2ccccc2)nc2cc(Cl)ccc21 ZINC000040403367 213298895 /nfs/dbraw/zinc/29/88/95/213298895.db2.gz UFRFKNVOOPVKFF-UHFFFAOYSA-N 0 0 344.842 4.695 10 0 EJAERN CCOCCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccco1 ZINC000040403130 213298929 /nfs/dbraw/zinc/29/89/29/213298929.db2.gz WYMRYPVBQMEXRA-UHFFFAOYSA-N 0 0 338.329 4.742 10 0 EJAERN COCCCn1c2ccc(C(F)(F)F)cc2nc1-c1cccs1 ZINC000040402677 213298551 /nfs/dbraw/zinc/29/85/51/213298551.db2.gz VSPSZUZQHFNGNF-UHFFFAOYSA-N 0 0 340.370 4.820 10 0 EJAERN CCOCCn1c(COc2ccc(C)cc2)nc2ccc(Cl)cc21 ZINC000040405217 213298663 /nfs/dbraw/zinc/29/86/63/213298663.db2.gz LKIKGJCQYVSXHR-UHFFFAOYSA-N 0 0 344.842 4.614 10 0 EJAERN COCCCn1c(COc2ccc3ccccc3c2)nc2ccccc21 ZINC000040389415 213296469 /nfs/dbraw/zinc/29/64/69/213296469.db2.gz ZVOOPHOOPVQRRP-UHFFFAOYSA-N 0 0 346.430 4.805 10 0 EJAERN COc1cccc(C(=O)Nc2cc(C)nc3c(C)c(Cl)ccc23)c1 ZINC000040359548 213293900 /nfs/dbraw/zinc/29/39/00/213293900.db2.gz QHQLTUMAGNRUML-UHFFFAOYSA-N 0 0 340.810 4.766 10 0 EJAERN Cc1cccc(-c2nc3ccccc3n2CC(=O)Nc2ccccc2)c1 ZINC000040306725 213290015 /nfs/dbraw/zinc/29/00/15/213290015.db2.gz BDSLDQIWLWAZBI-UHFFFAOYSA-N 0 0 341.414 4.650 10 0 EJAERN Cc1cc(C)cc(NC(=O)Cn2c3ccccc3nc2-c2ccco2)c1 ZINC000040307854 213291019 /nfs/dbraw/zinc/29/10/19/213291019.db2.gz GSKIKWVQNFZOFV-UHFFFAOYSA-N 0 0 345.402 4.552 10 0 EJAERN COc1cccc(OCCn2c3ccccc3nc2-c2ccccc2)c1 ZINC000040239366 213285313 /nfs/dbraw/zinc/28/53/13/213285313.db2.gz SLFGODBWYPQOMX-UHFFFAOYSA-N 0 0 344.414 4.791 10 0 EJAERN CCOCCn1c(COc2ccc3ccccc3c2)nc2ccccc21 ZINC000040237977 213283292 /nfs/dbraw/zinc/28/32/92/213283292.db2.gz IYMABOMTAUMSEP-UHFFFAOYSA-N 0 0 346.430 4.805 10 0 EJAERN COc1ccc(NC(=O)c2ccc(Oc3ccc(OC)cc3)cc2)cc1 ZINC000040179103 213279389 /nfs/dbraw/zinc/27/93/89/213279389.db2.gz SFJFVHLONHWIRF-UHFFFAOYSA-N 0 0 349.386 4.748 10 0 EJAERN Cc1ccc(Oc2ccc(C(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000040179069 213279395 /nfs/dbraw/zinc/27/93/95/213279395.db2.gz UOJQNNDHSPMEDM-UHFFFAOYSA-N 0 0 343.426 4.986 10 0 EJAERN CC(C)(C)[C@H]1CCCC[C@]1(O)Cc1ccccc1Br ZINC000037530034 202007401 /nfs/dbraw/zinc/00/74/01/202007401.db2.gz VDZCBDOJJVBOOY-WBVHZDCISA-N 0 0 325.290 4.959 10 0 EJAERN C[C@H](NCc1cc(F)ccc1Br)c1cc(F)ccc1F ZINC000038038950 213196099 /nfs/dbraw/zinc/19/60/99/213196099.db2.gz IPVGAIYQEWVSPA-VIFPVBQESA-N 0 0 344.174 4.717 10 0 EJAERN C[C@H](NCc1cc(F)ccc1Br)c1ccc(F)c(F)c1 ZINC000038038935 213195832 /nfs/dbraw/zinc/19/58/32/213195832.db2.gz ZDHSVGXYWBHFND-VIFPVBQESA-N 0 0 344.174 4.717 10 0 EJAERN CC(=O)c1ccc(Oc2ccc(Br)cc2F)c(F)c1 ZINC000020358829 202038676 /nfs/dbraw/zinc/03/86/76/202038676.db2.gz PJDINDNFTQTGNX-UHFFFAOYSA-N 0 0 327.124 4.722 10 0 EJAERN C[C@H](Nc1nncc2ccccc21)c1cccc(Br)c1 ZINC000037984128 202077279 /nfs/dbraw/zinc/07/72/79/202077279.db2.gz NBGNFSNMYYVGAS-NSHDSACASA-N 0 0 328.213 4.565 10 0 EJAERN C[C@H](NCc1cc(F)ccc1Br)c1ccc(F)cc1 ZINC000038038974 202091917 /nfs/dbraw/zinc/09/19/17/202091917.db2.gz SMNSOVHUOVNIRJ-JTQLQIEISA-N 0 0 326.184 4.578 10 0 EJAERN C[C@@H](Nc1ccccc1-n1ccnc1)c1ccc(Br)s1 ZINC000038002432 213187908 /nfs/dbraw/zinc/18/79/08/213187908.db2.gz LCTDHSORQSXYDI-LLVKDONJSA-N 0 0 348.269 4.869 10 0 EJAERN COCc1ccccc1N[C@@H](C)c1ccc(Br)s1 ZINC000038002501 213186975 /nfs/dbraw/zinc/18/69/75/213186975.db2.gz VFRYYIMAQYQZFK-JTQLQIEISA-N 0 0 326.259 4.830 10 0 EJAERN CCc1ccc(N2C(=O)S/C(=C/C=C/c3ccco3)C2=O)cc1 ZINC000027230254 202152926 /nfs/dbraw/zinc/15/29/26/202152926.db2.gz OIBXUSCTGAMEGB-FWPHUCDGSA-N 0 0 325.389 4.639 10 0 EJAERN Cc1nn(C(C)C)c(C)c1NCc1csc(Br)c1 ZINC000037787611 213166779 /nfs/dbraw/zinc/16/67/79/213166779.db2.gz FFVJPSGBNSTCEW-UHFFFAOYSA-N 0 0 328.279 4.517 10 0 EJAERN CSCCCNc1ccc(Br)cc1C(F)(F)F ZINC000037518598 213153526 /nfs/dbraw/zinc/15/35/26/213153526.db2.gz QFLQIQZJUARQIW-UHFFFAOYSA-N 0 0 328.197 4.633 10 0 EJAERN Cc1ccc(NC(=O)Nc2ncc(Br)s2)cc1Cl ZINC000037437287 213147057 /nfs/dbraw/zinc/14/70/57/213147057.db2.gz KFSOCTLRXFJQQW-UHFFFAOYSA-N 0 0 346.637 4.511 10 0 EJAERN CC[C@H]1CCCC[C@@H]1OCC(=O)c1ccccc1Br ZINC000037342374 213140174 /nfs/dbraw/zinc/14/01/74/213140174.db2.gz FZSWXDYHBIGCHB-LRDDRELGSA-N 0 0 325.246 4.617 10 0 EJAERN Fc1ccc(OCc2ccc(Br)o2)c(Br)c1 ZINC000036896529 213125855 /nfs/dbraw/zinc/12/58/55/213125855.db2.gz DPGQUAUMMNNUHJ-UHFFFAOYSA-N 0 0 349.981 4.523 10 0 EJAERN CCCN(Cc1cc(-c2ccc(C)cc2C)on1)C(=O)c1ccco1 ZINC000036012363 213054811 /nfs/dbraw/zinc/05/48/11/213054811.db2.gz RJDAQXZJJWLBFU-UHFFFAOYSA-N 0 0 338.407 4.604 10 0 EJAERN O=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1F ZINC000035185296 213013569 /nfs/dbraw/zinc/01/35/69/213013569.db2.gz KJJYOMNRVOPUEX-UHFFFAOYSA-N 0 0 343.579 4.633 10 0 EJAERN Clc1ccc(Cl)c(-c2cn3nc(Br)sc3n2)c1 ZINC000034976300 213003505 /nfs/dbraw/zinc/00/35/05/213003505.db2.gz NGEAIVHFMDPTOM-UHFFFAOYSA-N 0 0 349.040 4.527 10 0 EJAERN O=C(OCc1ccccc1)n1ccc2cc(Br)ccc21 ZINC000034032893 212973155 /nfs/dbraw/zinc/97/31/55/212973155.db2.gz OXGRKLRYMJPWTG-UHFFFAOYSA-N 0 0 330.181 4.589 10 0 EJAERN CCOP(=O)(OCC)[C@@H](O)/C=C(/Cl)c1ccc(Cl)cc1 ZINC000033376671 212931384 /nfs/dbraw/zinc/93/13/84/212931384.db2.gz SMPMXJWZKBAUIM-CNELAYHGSA-N 0 0 339.155 4.504 10 0 EJAERN COc1ccc(CNc2ccc(F)cc2Cl)cc1Br ZINC000035040094 213005740 /nfs/dbraw/zinc/00/57/40/213005740.db2.gz DIYRQPQBDIIUEP-UHFFFAOYSA-N 0 0 344.611 4.862 10 0 EJAERN CN[C@@H](c1ccc(Br)cc1)c1c(F)cccc1Cl ZINC000035463012 213029963 /nfs/dbraw/zinc/02/99/63/213029963.db2.gz ONWCTJAHQVNHPU-AWEZNQCLSA-N 0 0 328.612 4.550 10 0 EJAERN COc1c(F)cc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1F ZINC000071997806 215990789 /nfs/dbraw/zinc/99/07/89/215990789.db2.gz DGXNPNKVBDZGEY-SECBINFHSA-N 0 0 340.757 4.510 10 0 EJAERN Cc1cccc(OCCCCn2c(=O)cc(C)c3cccc(C)c32)c1 ZINC000032530544 212808176 /nfs/dbraw/zinc/80/81/76/212808176.db2.gz XEIUFDQROLBCCS-UHFFFAOYSA-N 0 0 335.447 4.786 10 0 EJAERN Cc1ccc(SCc2ccc(Br)cc2F)c(N)c1 ZINC000035056810 202286125 /nfs/dbraw/zinc/28/61/25/202286125.db2.gz ZCLLZBKCLJJZMZ-UHFFFAOYSA-N 0 0 326.234 4.771 10 0 EJAERN CCOC(=O)c1cnc2cc(C(F)(F)F)c(Cl)cc2c1Cl ZINC000072237265 216076228 /nfs/dbraw/zinc/07/62/28/216076228.db2.gz NIHJXGAANWFQBX-UHFFFAOYSA-N 0 0 338.112 4.737 10 0 EJAERN CCC(=O)Nc1nc(C)c(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000036639177 202328344 /nfs/dbraw/zinc/32/83/44/202328344.db2.gz QLZVXYSDMDIYNT-UHFFFAOYSA-N 0 0 329.252 4.698 10 0 EJAERN CC(C)Cc1nc2ccccc2n1Cc1nc2cc(Cl)ccc2[nH]1 ZINC000073636107 202369900 /nfs/dbraw/zinc/36/99/00/202369900.db2.gz YVABAPBQWQWPHB-UHFFFAOYSA-N 0 0 338.842 4.813 10 0 EJAERN Cc1ccc([C@@H](C)N(C)C(=O)c2cccc(Br)c2)s1 ZINC000037845906 202371089 /nfs/dbraw/zinc/37/10/89/202371089.db2.gz NMZDOBQMGFGNGH-LLVKDONJSA-N 0 0 338.270 4.652 10 0 EJAERN Cc1cc(Cl)ccc1Nc1ncnc(Sc2ccccc2)c1N ZINC000040703320 202460104 /nfs/dbraw/zinc/46/01/04/202460104.db2.gz TVAXXMHXPRBYCF-UHFFFAOYSA-N 0 0 342.855 4.915 10 0 EJAERN Cc1ccccc1Nc1ncnc(Nc2cc(Cl)ccc2C)c1N ZINC000040704926 202460294 /nfs/dbraw/zinc/46/02/94/202460294.db2.gz GYFSPWPKXLGORK-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN CCc1ccc(Oc2ncnc(Nc3ccc(Cl)cc3)c2N)cc1 ZINC000040782220 202464496 /nfs/dbraw/zinc/46/44/96/202464496.db2.gz QLQMOBRFQFJJET-UHFFFAOYSA-N 0 0 340.814 4.811 10 0 EJAERN CCOc1ccc(C(=O)c2ccc(Br)cc2Cl)cc1 ZINC000037365562 213141382 /nfs/dbraw/zinc/14/13/82/213141382.db2.gz RUOANZAJZWUKFZ-UHFFFAOYSA-N 0 0 339.616 4.732 10 0 EJAERN Clc1ccc(/C=C/c2ccnc(N3CCc4ccccc43)n2)cc1 ZINC000072443627 216236459 /nfs/dbraw/zinc/23/64/59/216236459.db2.gz CRRXHVMAFVPIAE-JXMROGBWSA-N 0 0 333.822 4.995 10 0 EJAERN CCc1nn2c(ncc3c2CCCCC3)c1-c1cccc(Cl)c1 ZINC000072451773 216239669 /nfs/dbraw/zinc/23/96/69/216239669.db2.gz GOFOGCZCBCNWGX-UHFFFAOYSA-N 0 0 325.843 4.881 10 0 EJAERN Cc1nn(-c2ccc(C)cc2)cc1-c1ccnc(-c2ccccc2)n1 ZINC000072462225 216243863 /nfs/dbraw/zinc/24/38/63/216243863.db2.gz RMORUFPLSQXNMU-UHFFFAOYSA-N 0 0 326.403 4.613 10 0 EJAERN Cc1nn(-c2ccccc2)cc1-c1ccnc(Nc2ccccc2C)n1 ZINC000072461861 216243920 /nfs/dbraw/zinc/24/39/20/216243920.db2.gz FOUPPVZCFGPUNS-UHFFFAOYSA-N 0 0 341.418 4.690 10 0 EJAERN COc1cc2ccc(=O)oc2cc1OC/C=C(/C)CCC=C(C)C ZINC000111958485 201065213 /nfs/dbraw/zinc/06/52/13/201065213.db2.gz NLNMITFNBJXRRP-GDNBJRDFSA-N 0 0 328.408 4.873 10 0 EJAERN c1ccc(-c2nc(=NC3CCCCC3)sn2-c2ccccc2)cc1 ZINC000254406351 201188206 /nfs/dbraw/zinc/18/82/06/201188206.db2.gz VXLXXFRDIHCYQV-UHFFFAOYSA-N 0 0 335.476 4.834 10 0 EJAERN Cc1ccc(Oc2nnc(C)c3ccccc32)c(Br)c1 ZINC000025512837 212485377 /nfs/dbraw/zinc/48/53/77/212485377.db2.gz YBCSQCNMLQYSDM-UHFFFAOYSA-N 0 0 329.197 4.801 10 0 EJAERN CCOC(=O)c1sc(SC(F)(F)F)nc1-c1ccccc1 ZINC000090471005 201371780 /nfs/dbraw/zinc/37/17/80/201371780.db2.gz CNCRWGIRPRAYTA-UHFFFAOYSA-N 0 0 333.356 4.599 10 0 EJAERN Nc1ccccc1Oc1cc(Cl)nc(-c2ccc(Cl)cc2)n1 ZINC000073737671 216420378 /nfs/dbraw/zinc/42/03/78/216420378.db2.gz MNISLFLYDSNWEW-UHFFFAOYSA-N 0 0 332.190 4.825 10 0 EJAERN Clc1nc2ccccc2c(Oc2ccc(Br)cc2)n1 ZINC000052811358 202650802 /nfs/dbraw/zinc/65/08/02/202650802.db2.gz BJIFLNLPSDOPSY-UHFFFAOYSA-N 0 0 335.588 4.838 10 0 EJAERN FC(F)(F)c1cc(-c2cccc(Cl)c2)nc(Br)n1 ZINC000217024788 241233081 /nfs/dbraw/zinc/23/30/81/241233081.db2.gz VWKIMURGJCOIDP-UHFFFAOYSA-N 0 0 337.526 4.578 10 0 EJAERN CCN(C(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C)c1cccc2ccccc21 ZINC000000531439 201483742 /nfs/dbraw/zinc/48/37/42/201483742.db2.gz OWURTVWOMUFHAE-XZOQPEGZSA-N 0 0 349.474 4.978 10 0 EJAERN O=C(Nc1nc2c(cccc2F)s1)c1ccc(Cl)cc1Cl ZINC000001040653 201497023 /nfs/dbraw/zinc/49/70/23/201497023.db2.gz CBKLGESLQISMAG-UHFFFAOYSA-N 0 0 341.194 4.995 10 0 EJAERN O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000001504813 201510483 /nfs/dbraw/zinc/51/04/83/201510483.db2.gz LMOANJRZSUSKOB-UHFFFAOYSA-N 0 0 332.790 4.706 10 0 EJAERN Cc1occc1C(=O)Nc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 ZINC000021142039 212210795 /nfs/dbraw/zinc/21/07/95/212210795.db2.gz SOTHULRKUPKGPT-UHFFFAOYSA-N 0 0 331.375 4.692 10 0 EJAERN Cc1ccc(Oc2c(F)cc(C=O)cc2F)c(Br)c1 ZINC000062708817 202800882 /nfs/dbraw/zinc/80/08/82/202800882.db2.gz IWYGXSPIVSAQJI-UHFFFAOYSA-N 0 0 327.124 4.641 10 0 EJAERN S=C1N=NC(c2cccs2)N1c1cccc(Cl)c1Cl ZINC000020591287 212150069 /nfs/dbraw/zinc/15/00/69/212150069.db2.gz ATDXAJHOYFTOSW-UHFFFAOYSA-N 0 0 328.249 4.591 10 0 EJAERN CCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000249699752 243705833 /nfs/dbraw/zinc/70/58/33/243705833.db2.gz XECLXJZDYKMJFL-YMDUPTGGSA-N 0 0 344.495 4.840 10 0 EJAERN C[C@@H](Oc1cccc(Br)c1)C(=O)c1cccc(Cl)c1 ZINC000070132758 203073597 /nfs/dbraw/zinc/07/35/97/203073597.db2.gz DDSMJCDEFLZSJW-SNVBAGLBSA-N 0 0 339.616 4.753 10 0 EJAERN Cc1cccc(/C(=C\CC[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c2ccccc2)c1 ZINC000256006455 244063567 /nfs/dbraw/zinc/06/35/67/244063567.db2.gz VGQXGJBVQVGGBP-BHMTVCBESA-N 0 0 349.474 4.613 10 0 EJAERN CCc1ccc2oc([C@@H](N)c3ccc(Br)cc3)cc2c1 ZINC000020389489 212124754 /nfs/dbraw/zinc/12/47/54/212124754.db2.gz YYPIXCNJNIBYAD-KRWDZBQOSA-N 0 0 330.225 4.806 10 0 EJAERN COc1ccc(OC)c(N[C@H](C)c2ccc(Br)cc2)c1 ZINC000019910469 212082453 /nfs/dbraw/zinc/08/24/53/212082453.db2.gz RRRVWAWWOXYKDR-LLVKDONJSA-N 0 0 336.229 4.639 10 0 EJAERN COc1ccc(OC)c(N[C@@H](C)c2ccc(Br)cc2)c1 ZINC000019910466 212082716 /nfs/dbraw/zinc/08/27/16/212082716.db2.gz RRRVWAWWOXYKDR-NSHDSACASA-N 0 0 336.229 4.639 10 0 EJAERN COc1ccc(OC)c(N[C@@H](C)c2ccccc2Br)c1 ZINC000019910580 212082840 /nfs/dbraw/zinc/08/28/40/212082840.db2.gz NEHVMSWNANYLTQ-NSHDSACASA-N 0 0 336.229 4.639 10 0 EJAERN COc1ccc(OC)c([C@@H](C)Nc2ccccc2Br)c1 ZINC000019922726 212084788 /nfs/dbraw/zinc/08/47/88/212084788.db2.gz FVVBBVYNOQLEDI-LLVKDONJSA-N 0 0 336.229 4.639 10 0 EJAERN Cc1cc(Br)ccc1N[C@@H](C)c1nc2ccccc2n1C ZINC000019905640 212081925 /nfs/dbraw/zinc/08/19/25/212081925.db2.gz ULXUEDFNNUJPGL-LBPRGKRZSA-N 0 0 344.256 4.817 10 0 EJAERN COc1ccc(OCCn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000040239365 213284994 /nfs/dbraw/zinc/28/49/94/213284994.db2.gz NNAXMKBDIYWYDQ-UHFFFAOYSA-N 0 0 344.414 4.791 10 0 EJAERN CC(C)=CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(C)n1 ZINC000019792412 212067657 /nfs/dbraw/zinc/06/76/57/212067657.db2.gz OUQRYEAYLMEGBJ-QFIPXVFZSA-N 0 0 331.463 4.785 10 0 EJAERN FC(F)(F)c1nc2cccnc2n1Cc1c(Cl)cccc1Cl ZINC000095076870 203710972 /nfs/dbraw/zinc/71/09/72/203710972.db2.gz UEAGUZDCUQOPJR-UHFFFAOYSA-N 0 0 346.139 4.805 10 0 EJAERN Ic1cccc(Oc2ccnc3ccccc32)c1 ZINC000104178170 204098507 /nfs/dbraw/zinc/09/85/07/204098507.db2.gz SDNNXHBMENCWNB-UHFFFAOYSA-N 0 0 347.155 4.632 10 0 EJAERN CCc1c(Cl)ncnc1Nc1ccc(C)cc1Br ZINC000104212280 204101375 /nfs/dbraw/zinc/10/13/75/204101375.db2.gz FANRMOHDZBSQIN-UHFFFAOYSA-N 0 0 326.625 4.507 10 0 EJAERN OCc1c(Cl)cccc1Sc1ccc(Br)cc1 ZINC000104287733 204104430 /nfs/dbraw/zinc/10/44/30/204104430.db2.gz VGWIXYPVLMIIII-UHFFFAOYSA-N 0 0 329.646 4.746 10 0 EJAERN Cc1cc(C)c(C)c([C@@H](O)c2sccc2Br)c1C ZINC000104287014 204104566 /nfs/dbraw/zinc/10/45/66/204104566.db2.gz ABTJGJMXUXYKCH-CQSZACIVSA-N 0 0 325.271 4.826 10 0 EJAERN CCc1ccc(CNc2cc(Br)ccc2OC)s1 ZINC000049566862 214020119 /nfs/dbraw/zinc/02/01/19/214020119.db2.gz HBISGOHFAJAZEA-UHFFFAOYSA-N 0 0 326.259 4.694 10 0 EJAERN COc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1OC ZINC000144144056 223720869 /nfs/dbraw/zinc/72/08/69/223720869.db2.gz HPNDTXXNHSZCMN-UHFFFAOYSA-N 0 0 330.387 4.710 10 0 EJAERN Nc1ccc(Br)cc1Oc1ccc(Br)cc1 ZINC000083732074 217552439 /nfs/dbraw/zinc/55/24/39/217552439.db2.gz LUGNGMTUORMJMZ-UHFFFAOYSA-N 0 0 343.018 4.586 10 0 EJAERN CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C2 ZINC000013464182 211560639 /nfs/dbraw/zinc/56/06/39/211560639.db2.gz BXPOLJAFDWDHFH-RVSPLBMKSA-N 0 0 325.374 4.650 10 0 EJAERN CC(C)CNc1cc(NC(=O)OC(C)(C)C)c(N)cc1C(F)(F)F ZINC000089194843 217774868 /nfs/dbraw/zinc/77/48/68/217774868.db2.gz XTFQHQUHVPJOCG-UHFFFAOYSA-N 0 0 347.381 4.703 10 0 EJAERN CC(C)c1nc2cc(C(=O)N3CCCC[C@H]3c3cccnc3)ccc2o1 ZINC000012320063 211344075 /nfs/dbraw/zinc/34/40/75/211344075.db2.gz QKVZYGMZOFDRRK-SFHVURJKSA-N 0 0 349.434 4.714 10 0 EJAERN COc1nccc2nc(-c3ccc(C=O)cc3)c(-c3ccccc3)cc21 ZINC000090555796 217939726 /nfs/dbraw/zinc/93/97/26/217939726.db2.gz FFLTXGFHEQUVJO-UHFFFAOYSA-N 0 0 340.382 4.785 10 0 EJAERN O=C([O-])c1ccc(C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000011833702 211254785 /nfs/dbraw/zinc/25/47/85/211254785.db2.gz LVLFRFFNPLOMON-UHFFFAOYSA-N 0 0 331.415 4.587 10 0 EJAERN COc1cc2c(Br)ccnc2cc1OCc1ccccc1 ZINC000095930009 218450316 /nfs/dbraw/zinc/45/03/16/218450316.db2.gz DMQFRWPGTMHXHO-UHFFFAOYSA-N 0 0 344.208 4.585 10 0 EJAERN Cc1ccc(/C=C/C(=O)Oc2c(C)cc(Br)cc2C)cc1 ZINC000006922751 210744958 /nfs/dbraw/zinc/74/49/58/210744958.db2.gz QZKIFTBTFUMFIY-CMDGGOBGSA-N 0 0 345.236 4.993 10 0 EJAERN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1OCc1ccc(Cl)cc1 ZINC000503852599 257753941 /nfs/dbraw/zinc/75/39/41/257753941.db2.gz IBXGZPRXBKZDFT-HZPDHXFCSA-N 0 0 339.863 4.693 10 0 EJAERN Cc1ccc(NC(=O)/C(Br)=C\c2ccccc2)c(C)c1 ZINC000006130810 258012402 /nfs/dbraw/zinc/01/24/02/258012402.db2.gz RSMMEFDSWCVURK-RVDMUPIBSA-N 0 0 330.225 4.678 10 0 EJAERN CCn1nnc(-c2cccs2)c1SCc1cccc(Cl)c1 ZINC000334162107 258015738 /nfs/dbraw/zinc/01/57/38/258015738.db2.gz JMUATLXAOHXGOD-UHFFFAOYSA-N 0 0 335.885 4.972 10 0 EJAERN O=C(Nc1ccc(CO)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000002541564 258049770 /nfs/dbraw/zinc/04/97/70/258049770.db2.gz AMCNVVZGRKIDRW-UHFFFAOYSA-N 0 0 345.398 4.540 10 0 EJAERN Cc1ccc(Sc2ncnc(N3CCCc4ccccc43)c2N)cc1 ZINC000040780141 132406728 /nfs/dbraw/zinc/40/67/28/132406728.db2.gz RTEDCAKTJULZSY-UHFFFAOYSA-N 0 0 348.475 4.603 10 0 EJAERN O=C(c1ccsc1)C(F)(F)Sc1nc2ccccc2s1 ZINC000057354378 526861053 /nfs/dbraw/zinc/86/10/53/526861053.db2.gz VVSQDUAKDSYJCI-UHFFFAOYSA-N 0 0 327.402 4.926 10 0 EJAERN Cc1cccc(NC(C(Cl)=C(Cl)Cl)=C(Cl)[N+](=O)[O-])c1 ZINC000003048052 563470274 /nfs/dbraw/zinc/47/02/74/563470274.db2.gz FAGOOXRULUTJAP-PKNBQFBNSA-N 0 0 342.009 4.977 10 0 EJAERN Fc1ccc(C2=CN3C(c4ccc(Cl)cc4)=CSC3=NN2)cc1 ZINC000005750423 563549190 /nfs/dbraw/zinc/54/91/90/563549190.db2.gz ISIQCHLRWFFZCA-UHFFFAOYSA-N 0 0 343.814 4.699 10 0 EJAERN CN(C)c1ncc(-c2ccc(Br)cc2)cc1C(F)(F)F ZINC000584881658 563879114 /nfs/dbraw/zinc/87/91/14/563879114.db2.gz YRGMRKWWTFTKJQ-UHFFFAOYSA-N 0 0 345.162 4.596 10 0 EJAERN CC1CCC(CC[NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000070539449 563919662 /nfs/dbraw/zinc/91/96/62/563919662.db2.gz DJMXDOIOLVRKQL-UHFFFAOYSA-N 0 0 328.269 4.894 10 0 EJAERN Cc1nn(C(C)C)cc1NCc1ccc(Br)c(Cl)c1 ZINC000725242468 563975075 /nfs/dbraw/zinc/97/50/75/563975075.db2.gz IHSCNSVIDCJDQI-UHFFFAOYSA-N 0 0 342.668 4.800 10 0 EJAERN Fc1c(F)c(C(Cl)(Cl)Cl)c(F)c(F)c1Br ZINC000091251912 563975146 /nfs/dbraw/zinc/97/51/46/563975146.db2.gz MWFMQKIRWQAUPD-UHFFFAOYSA-N 0 0 346.332 4.832 10 0 EJAERN C=Cc1ccc(Br)c(NC(=O)OCc2ccccc2)c1 ZINC000095938735 563977797 /nfs/dbraw/zinc/97/77/97/563977797.db2.gz UBIKYGYFLCXPQZ-UHFFFAOYSA-N 0 0 332.197 4.841 10 0 EJAERN COc1cc(/C=C/C(=O)OC(C)(C)C)cc(Cl)c1OCC(C)C ZINC000725273767 563988775 /nfs/dbraw/zinc/98/87/75/563988775.db2.gz BZOJTXGWJAVHJZ-BQYQJAHWSA-N 0 0 340.847 4.738 10 0 EJAERN NNc1c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Cl ZINC000163532280 563999659 /nfs/dbraw/zinc/99/96/59/563999659.db2.gz JNXYWGUQXKYJRP-UHFFFAOYSA-N 0 0 345.045 4.568 10 0 EJAERN BrC(Br)=Cc1cc(Br)cs1 ZINC000142211708 564000564 /nfs/dbraw/zinc/00/05/64/564000564.db2.gz SKEJAYFILBSZBS-UHFFFAOYSA-N 0 0 346.869 4.599 10 0 EJAERN COc1cccc2cc([C@H](C)Nc3cccc(N(C)C(C)=O)c3)oc21 ZINC000170592476 564108916 /nfs/dbraw/zinc/10/89/16/564108916.db2.gz DNXGYTWBVVKAMI-ZDUSSCGKSA-N 0 0 338.407 4.597 10 0 EJAERN Brc1ccc(-c2cnc3sc4ccccc4n23)cc1 ZINC000048546796 564129377 /nfs/dbraw/zinc/12/93/77/564129377.db2.gz XKKCPBVFCPZPAE-UHFFFAOYSA-N 0 0 329.222 4.979 10 0 EJAERN CCOc1cc2oc(C)c(-c3ccc(F)cc3)c(=O)c2cc1CC ZINC000048533764 564129304 /nfs/dbraw/zinc/12/93/04/564129304.db2.gz AMYWBTIZENXWLP-UHFFFAOYSA-N 0 0 326.367 4.869 10 0 EJAERN C=C/C(=C\C=C(/C)OC)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000048533148 564129329 /nfs/dbraw/zinc/12/93/29/564129329.db2.gz IADLFIAFXGZSHU-YXLFCKQPSA-N 0 0 347.414 4.519 10 0 EJAERN C[C@@H]1c2ccccc2O[C@H]1c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 ZINC000299752057 564150686 /nfs/dbraw/zinc/15/06/86/564150686.db2.gz SOMBAGLBFCGAKL-ZFKCKOODSA-N 0 0 348.402 4.552 10 0 EJAERN CCC(C)(C)CC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685961100 564177155 /nfs/dbraw/zinc/17/71/55/564177155.db2.gz BTHNERFIGNYYLN-UHFFFAOYSA-N 0 0 333.472 4.819 10 0 EJAERN CC(C)(C)CCC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960618 564177161 /nfs/dbraw/zinc/17/71/61/564177161.db2.gz UYYJFWOYCLNGLU-UHFFFAOYSA-N 0 0 333.472 4.819 10 0 EJAERN CC1(C)Cc2nc(-c3ccc(Br)s3)sc2C(=O)C1 ZINC000050331064 214052744 /nfs/dbraw/zinc/05/27/44/214052744.db2.gz MDKAOFXHLIGXEV-UHFFFAOYSA-N 0 0 342.283 4.789 10 0 EJAERN CC1(C)Cc2nc(-c3ccc(Br)cc3)sc2C(=O)C1 ZINC000050330991 214053715 /nfs/dbraw/zinc/05/37/15/214053715.db2.gz HSFJJXVIHIERFF-UHFFFAOYSA-N 0 0 336.254 4.728 10 0 EJAERN COc1ccc([C@H](C)Nc2ccccc2Br)c(OC)c1 ZINC000019922861 212084844 /nfs/dbraw/zinc/08/48/44/212084844.db2.gz DBUQXRAYDZKKHF-NSHDSACASA-N 0 0 336.229 4.639 10 0 EJAERN Nc1onc(-c2ccc(F)cc2Br)c1-c1cccs1 ZINC000052902052 214153355 /nfs/dbraw/zinc/15/33/55/214153355.db2.gz FJPXRAPWSFVVPO-UHFFFAOYSA-N 0 0 339.189 4.554 10 0 EJAERN Cc1ccc([C@H]([NH2+]Cc2ccccc2)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000053995104 214209954 /nfs/dbraw/zinc/20/99/54/214209954.db2.gz FPLVGQAIYDGXMD-VXKWHMMOSA-N 0 0 345.442 4.694 10 0 EJAERN Nc1cccc(Br)c1CSc1cccc(Cl)c1 ZINC000054185133 214221550 /nfs/dbraw/zinc/22/15/50/214221550.db2.gz XFIZUBFNDALLQB-UHFFFAOYSA-N 0 0 328.662 4.977 10 0 EJAERN COc1ccc(Nc2ccnc3cc(Br)ccc32)cc1 ZINC000054202294 214223471 /nfs/dbraw/zinc/22/34/71/214223471.db2.gz UJACLHMWAQTLBN-UHFFFAOYSA-N 0 0 329.197 4.750 10 0 EJAERN Nc1ccc(Cn2cc(Br)c3ccccc32)c(Cl)c1 ZINC000055310039 214305043 /nfs/dbraw/zinc/30/50/43/214305043.db2.gz DFDYOBFFIDNHEU-UHFFFAOYSA-N 0 0 335.632 4.688 10 0 EJAERN O=c1n(CC2CC2)c2ccc(-c3ccccc3)cc2n1-c1ccccc1 ZINC000098180443 219086415 /nfs/dbraw/zinc/08/64/15/219086415.db2.gz MGICDAUXMJONEP-UHFFFAOYSA-N 0 0 340.426 4.869 10 0 EJAERN CCOC(=O)Cc1cnc(Nc2ccc(-c3ccccc3)cc2)s1 ZINC000098181434 219087648 /nfs/dbraw/zinc/08/76/48/219087648.db2.gz WUFJZDFMHOMWLQ-UHFFFAOYSA-N 0 0 338.432 4.659 10 0 EJAERN O[C@@H](Cc1c(F)cccc1Cl)c1ccc(Br)cc1F ZINC000062138041 214701553 /nfs/dbraw/zinc/70/15/53/214701553.db2.gz LPVSLSNGILKDPG-AWEZNQCLSA-N 0 0 347.586 4.657 10 0 EJAERN F[C@H]1C[C@](c2nnc(C3CC3)n2C2CC2)(c2ccc(Cl)cc2)C1 ZINC000101133386 219116830 /nfs/dbraw/zinc/11/68/30/219116830.db2.gz OGYZYOKAXYFLIU-PPUGGXLSSA-N 0 0 331.822 4.562 10 0 EJAERN Cc1cc(N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2ccc(C(=O)[O-])cc2[nH+]1 ZINC000004226520 210146942 /nfs/dbraw/zinc/14/69/42/210146942.db2.gz ZZNLUUMTKFDDOD-BTYIYWSLSA-N 0 0 338.451 4.646 10 0 EJAERN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013760825 201914292 /nfs/dbraw/zinc/91/42/92/201914292.db2.gz PGTVWKLGGCQMBR-HNABIGDDSA-N 0 0 332.528 4.985 10 0 in-vitro EJAERN CS(=O)(=O)c1ccc(-c2ccccc2-c2ccc(F)cc2)cc1 ZINC000003814660 210076384 /nfs/dbraw/zinc/07/63/84/210076384.db2.gz RFPZMXMBYMEQHZ-UHFFFAOYSA-N 0 0 326.392 4.563 10 0 EJAERN O=C(CCNc1ccccc1-c1ccccc1)OCc1ccccc1 ZINC000044857427 213652182 /nfs/dbraw/zinc/65/21/82/213652182.db2.gz JZZKRQBOFVEKTN-UHFFFAOYSA-N 0 0 331.415 4.899 10 0 EJAERN FC(F)(F)Oc1cccc2c(Cl)c(Br)cnc12 ZINC000041702378 213462498 /nfs/dbraw/zinc/46/24/98/213462498.db2.gz STJMYTWBYFSXSM-UHFFFAOYSA-N 0 0 326.499 4.549 10 0 EJAERN COc1ccccc1C1=CN(c2ccccc2)CN1c1ccccc1 ZINC000103592055 219315524 /nfs/dbraw/zinc/31/55/24/219315524.db2.gz OTYALBSEXZXXPT-UHFFFAOYSA-N 0 0 328.415 4.978 10 0 EJAERN COc1ccc(COC[C@@H]2CC=CC[C@@H]2C)cc1Br ZINC000103987690 219335789 /nfs/dbraw/zinc/33/57/89/219335789.db2.gz RFUXLPJJKOZWDZ-JSGCOSHPSA-N 0 0 325.246 4.577 10 0 EJAERN C[C@H](c1cccc(Cl)c1)N(C)c1ccc(Br)cn1 ZINC000103989306 219336156 /nfs/dbraw/zinc/33/61/56/219336156.db2.gz PSVSZAKTMMBJRK-SNVBAGLBSA-N 0 0 325.637 4.695 10 0 EJAERN Fc1ccc(SCCNc2ccccc2Br)cc1 ZINC000103995407 219336670 /nfs/dbraw/zinc/33/66/70/219336670.db2.gz IVTKJGWTJKEJAU-UHFFFAOYSA-N 0 0 326.234 4.792 10 0 EJAERN CCCNc1cc(C(C)C)nc(-c2ccc(Br)s2)n1 ZINC000103991881 219336771 /nfs/dbraw/zinc/33/67/71/219336771.db2.gz SZWZHWKJQFPYOQ-UHFFFAOYSA-N 0 0 340.290 4.913 10 0 EJAERN CCCC[C@H](CC)CO[C@@H](C[NH3+])c1ccccc1Br ZINC000103970488 219333919 /nfs/dbraw/zinc/33/39/19/219333919.db2.gz MULKEEUBOYDYNP-BBRMVZONSA-N 0 0 328.294 4.682 10 0 EJAERN COc1ccc(Br)cc1[C@@H](O)C[C@H](C)CC(C)(C)C ZINC000104040810 219340813 /nfs/dbraw/zinc/34/08/13/219340813.db2.gz LYBBKYLAPHNJMK-FZMZJTMJSA-N 0 0 329.278 4.954 10 0 EJAERN CCNc1c(C)c(CC)nc2c(Cl)ccc(Br)c21 ZINC000104156310 219354203 /nfs/dbraw/zinc/35/42/03/219354203.db2.gz DEEKFBGIUOGOBX-UHFFFAOYSA-N 0 0 327.653 4.953 10 0 EJAERN O=C(/C=C/c1ccccc1)Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000041057371 213411867 /nfs/dbraw/zinc/41/18/67/213411867.db2.gz UOQNEIQWYWZYCO-RMKNXTFCSA-N 0 0 342.320 4.906 10 0 EJAERN O=C(CCc1ccccc1)Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000041057393 213411137 /nfs/dbraw/zinc/41/11/37/213411137.db2.gz XNAGSEFZHQAUGT-UHFFFAOYSA-N 0 0 344.336 4.825 10 0 EJAERN CNc1c(C)c(C(F)(F)F)nc2c(F)cc(Br)cc21 ZINC000104221750 219362278 /nfs/dbraw/zinc/36/22/78/219362278.db2.gz XKARVVMLLCTPMU-UHFFFAOYSA-N 0 0 337.114 4.505 10 0 EJAERN CC(C)c1c(Cl)ncnc1Nc1ccccc1Br ZINC000104226204 219363479 /nfs/dbraw/zinc/36/34/79/219363479.db2.gz HVAQEJAIVUTNGG-UHFFFAOYSA-N 0 0 326.625 4.760 10 0 EJAERN CCOc1cccc2sc(NC(=O)c3c(C)cc(C)cc3C)nc21 ZINC000040979875 213405955 /nfs/dbraw/zinc/40/59/55/213405955.db2.gz GEVUZOLHCPMBCX-UHFFFAOYSA-N 0 0 340.448 4.873 10 0 EJAERN COc1cc(/C=C/C(=O)Oc2cc(C)cc(C)c2)ccc1OC(C)C ZINC000040950580 213403907 /nfs/dbraw/zinc/40/39/07/213403907.db2.gz IQYZWVZGFSGRSX-VQHVLOKHSA-N 0 0 340.419 4.718 10 0 EJAERN CCCCOc1ccc(NC(=O)/C=C/c2ccccc2OCC)cc1 ZINC000040950149 213403968 /nfs/dbraw/zinc/40/39/68/213403968.db2.gz IFIDFYRGPALOTK-XNTDXEJSSA-N 0 0 339.435 4.916 10 0 EJAERN COc1cccc(Sc2ccc([C@H](C)O)cc2Br)c1 ZINC000104287670 219370572 /nfs/dbraw/zinc/37/05/72/219370572.db2.gz OPQDWZMGSQITKX-JTQLQIEISA-N 0 0 339.254 4.662 10 0 EJAERN Nc1c(Nc2ccccc2)ncnc1Nc1cccc(C(F)(F)F)c1 ZINC000040781027 213386052 /nfs/dbraw/zinc/38/60/52/213386052.db2.gz UOXBYSABVORACE-UHFFFAOYSA-N 0 0 345.328 4.565 10 0 EJAERN Nc1c(Nc2cccc(Cl)c2)ncnc1Sc1ccccc1 ZINC000040781760 213386067 /nfs/dbraw/zinc/38/60/67/213386067.db2.gz YVQHZAGBNHABPC-UHFFFAOYSA-N 0 0 328.828 4.607 10 0 EJAERN Cc1cccc(Nc2ncnc(Nc3ccc(F)c(Cl)c3)c2N)c1 ZINC000040781675 213386200 /nfs/dbraw/zinc/38/62/00/213386200.db2.gz HPZBDGFQZVOIEN-UHFFFAOYSA-N 0 0 343.793 4.647 10 0 EJAERN Cc1cccc(Nc2ncnc(Nc3ccccc3Cl)c2N)c1C ZINC000040755079 213382734 /nfs/dbraw/zinc/38/27/34/213382734.db2.gz WCCAKWDKHVNGMJ-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN Cc1cc(Oc2ncnc(Nc3ccccc3F)c2N)ccc1Cl ZINC000040759280 213382866 /nfs/dbraw/zinc/38/28/66/213382866.db2.gz HAMRENKISIBSMD-UHFFFAOYSA-N 0 0 344.777 4.696 10 0 EJAERN CC(C)c1ccc(Oc2ncnc(Nc3ccc(F)cc3)c2N)cc1 ZINC000040727413 213376404 /nfs/dbraw/zinc/37/64/04/213376404.db2.gz YNXWLPMDTLWEIU-UHFFFAOYSA-N 0 0 338.386 4.857 10 0 EJAERN CC(C)c1ccc(Oc2ncnc(OC3CCCCC3)c2N)cc1 ZINC000040727601 213375989 /nfs/dbraw/zinc/37/59/89/213375989.db2.gz COQQVUSENGNGAV-UHFFFAOYSA-N 0 0 327.428 4.686 10 0 EJAERN Cc1ccc(Oc2ncnc(Sc3ccc(Cl)cc3)c2N)cc1 ZINC000040723085 213375770 /nfs/dbraw/zinc/37/57/70/213375770.db2.gz PAJNWJXZHBFHBB-UHFFFAOYSA-N 0 0 343.839 4.964 10 0 EJAERN Cc1c(Cl)cccc1Nc1ncnc(Sc2ccccc2)c1N ZINC000040701589 213372000 /nfs/dbraw/zinc/37/20/00/213372000.db2.gz HHSHTPSLFKOWET-UHFFFAOYSA-N 0 0 342.855 4.915 10 0 EJAERN Cc1cc(Oc2ncnc(NC3CCCCC3)c2N)ccc1Cl ZINC000040708700 213371490 /nfs/dbraw/zinc/37/14/90/213371490.db2.gz GKDSPIWUJUEZKC-UHFFFAOYSA-N 0 0 332.835 4.558 10 0 EJAERN Nc1c(Oc2ccccc2)ncnc1Oc1ccc2ccccc2c1 ZINC000040687870 213368899 /nfs/dbraw/zinc/36/88/99/213368899.db2.gz BSRHGSBDBOQULO-UHFFFAOYSA-N 0 0 329.359 4.797 10 0 EJAERN CCc1ccc(Nc2ncnc(N(CC)c3ccccc3)c2N)cc1 ZINC000040679409 213367582 /nfs/dbraw/zinc/36/75/82/213367582.db2.gz FNBBLYJIDOQNBO-UHFFFAOYSA-N 0 0 333.439 4.523 10 0 EJAERN CCN(c1cccc(C)c1)c1ncnc(Oc2ccc(C)cc2)c1N ZINC000040661911 213366868 /nfs/dbraw/zinc/36/68/68/213366868.db2.gz RNRYAZHCLHXAQQ-UHFFFAOYSA-N 0 0 334.423 4.626 10 0 EJAERN CCc1ccc(Nc2ncnc(Oc3cc(C)cc(C)c3)c2N)cc1 ZINC000040681235 213368171 /nfs/dbraw/zinc/36/81/71/213368171.db2.gz NLPIVDLTDPKMEA-UHFFFAOYSA-N 0 0 334.423 4.774 10 0 EJAERN CCN(c1ccccc1)c1ncnc(Nc2cccc(Cl)c2)c1N ZINC000040679632 213368024 /nfs/dbraw/zinc/36/80/24/213368024.db2.gz YLNKCGBFNTVSIE-UHFFFAOYSA-N 0 0 339.830 4.614 10 0 EJAERN CC(=O)c1sc2nc(Cc3cccs3)c3c(c2c1N)CCCC3 ZINC000040568380 213352040 /nfs/dbraw/zinc/35/20/40/213352040.db2.gz PKZZKOGDWBQXBY-UHFFFAOYSA-N 0 0 342.489 4.612 10 0 EJAERN COCCn1c(COc2ccc(C)cc2C)nc2cc(Cl)ccc21 ZINC000040404774 213299049 /nfs/dbraw/zinc/29/90/49/213299049.db2.gz JEKTVBBJQLCSHB-UHFFFAOYSA-N 0 0 344.842 4.532 10 0 EJAERN CCOCCn1c(COc2cccc(C)c2)nc2ccc(Cl)cc21 ZINC000040405208 213298423 /nfs/dbraw/zinc/29/84/23/213298423.db2.gz BCBYGAUMABWTBT-UHFFFAOYSA-N 0 0 344.842 4.614 10 0 EJAERN COc1ccc(CCn2c3ccccc3nc2C(C)(C)C)cc1OC ZINC000040389956 213296847 /nfs/dbraw/zinc/29/68/47/213296847.db2.gz UPBBAWGUBJSRQM-UHFFFAOYSA-N 0 0 338.451 4.594 10 0 EJAERN Cc1cc2nc(-c3ccc4c(c3)CCCC4)cn2cc1Br ZINC000040383961 213294634 /nfs/dbraw/zinc/29/46/34/213294634.db2.gz JDTXAKPQVXWRIV-UHFFFAOYSA-N 0 0 341.252 4.951 10 0 EJAERN Cc1cc(NC(=O)c2cccc(F)c2)c2ccc(Cl)c(C)c2n1 ZINC000040359558 213293264 /nfs/dbraw/zinc/29/32/64/213293264.db2.gz HCQXUUQIWVTJFT-UHFFFAOYSA-N 0 0 328.774 4.896 10 0 EJAERN COC(=O)c1ccc(Nc2ccnc3c(C)c(Cl)ccc23)cc1 ZINC000040358910 213293858 /nfs/dbraw/zinc/29/38/58/213293858.db2.gz HVDKSBDMBWHRLL-UHFFFAOYSA-N 0 0 326.783 4.727 10 0 EJAERN COc1ccc(C(=O)Nc2cc(C)nc3c(C)c(Cl)ccc23)cc1 ZINC000040359554 213293735 /nfs/dbraw/zinc/29/37/35/213293735.db2.gz DKMFZCZERIGDDW-UHFFFAOYSA-N 0 0 340.810 4.766 10 0 EJAERN CC(C)c1nc2ccccc2n1Cc1cccc(Br)c1 ZINC000040231223 213283556 /nfs/dbraw/zinc/28/35/56/213283556.db2.gz FLWGPYDPFPTITO-UHFFFAOYSA-N 0 0 329.241 4.971 10 0 EJAERN Cc1cccc(OCCCn2c3ccccc3nc2C(F)(F)F)c1 ZINC000040231850 213284317 /nfs/dbraw/zinc/28/43/17/213284317.db2.gz MQRFPGPXEPQHDD-UHFFFAOYSA-N 0 0 334.341 4.833 10 0 EJAERN COc1ccc(Cn2c(Cc3ccccc3C)nc3ccccc32)cc1 ZINC000040226434 213282540 /nfs/dbraw/zinc/28/25/40/213282540.db2.gz MKBHDOJUTUPBMR-UHFFFAOYSA-N 0 0 342.442 4.992 10 0 EJAERN CCOc1ccc(C(=O)Nc2cc(C)nc3c(C)cc(C)cc23)cc1 ZINC000040177055 213279567 /nfs/dbraw/zinc/27/95/67/213279567.db2.gz XXEAESGDMXEFFE-UHFFFAOYSA-N 0 0 334.419 4.811 10 0 EJAERN Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3)cc(C)c2c1 ZINC000040167234 213278462 /nfs/dbraw/zinc/27/84/62/213278462.db2.gz BXVAFDRNMOPNQY-UHFFFAOYSA-N 0 0 336.460 4.891 10 0 EJAERN Clc1ccc(-c2cnn(-c3ccc(Br)cc3)c2)cc1 ZINC000001504617 209754550 /nfs/dbraw/zinc/75/45/50/209754550.db2.gz GMVMACYDXXCMTG-UHFFFAOYSA-N 0 0 333.616 4.955 10 0 EJAERN O=C(Cn1cnc(-c2ccccc2)c1)c1ccc(Cl)cc1Cl ZINC000039139723 213231847 /nfs/dbraw/zinc/23/18/47/213231847.db2.gz MGZZXQBQOLLBHA-UHFFFAOYSA-N 0 0 331.202 4.740 10 0 EJAERN COc1cccc(Nc2ncnc3sc4c(c32)CC[C@H](C)C4)c1 ZINC000001291025 209723040 /nfs/dbraw/zinc/72/30/40/209723040.db2.gz KBSCMKZPFXTSIY-NSHDSACASA-N 0 0 325.437 4.568 10 0 EJAERN CSc1ccc(CNc2ccc(Br)cc2F)cc1 ZINC000021505575 202066106 /nfs/dbraw/zinc/06/61/06/202066106.db2.gz UVAKSIXTJYEKSC-UHFFFAOYSA-N 0 0 326.234 4.922 10 0 EJAERN C[C@H](Nc1ccccc1-n1ccnc1)c1ccc(Br)s1 ZINC000038002431 202082574 /nfs/dbraw/zinc/08/25/74/202082574.db2.gz LCTDHSORQSXYDI-NSHDSACASA-N 0 0 348.269 4.869 10 0 EJAERN Nc1ccc(-c2nc(-c3ccc(Br)s3)cs2)cc1 ZINC000038002451 213186798 /nfs/dbraw/zinc/18/67/98/213186798.db2.gz YQTUZUBXFJVGRV-UHFFFAOYSA-N 0 0 337.267 4.883 10 0 EJAERN Clc1ccc(NCc2ccc(Br)o2)c2ncccc12 ZINC000037767333 213165113 /nfs/dbraw/zinc/16/51/13/213165113.db2.gz HVRQMOOBGWOUIX-UHFFFAOYSA-N 0 0 337.604 4.856 10 0 EJAERN Nc1cc(F)ccc1SCc1cc(Br)ccc1F ZINC000037195244 213135267 /nfs/dbraw/zinc/13/52/67/213135267.db2.gz KVJMUFMCSYFQKD-UHFFFAOYSA-N 0 0 330.197 4.602 10 0 EJAERN CCOc1ccc(N)cc1CSc1ccccc1Br ZINC000037066096 213132829 /nfs/dbraw/zinc/13/28/29/213132829.db2.gz JHILHDHAWITXFH-UHFFFAOYSA-N 0 0 338.270 4.722 10 0 EJAERN O=c1cc(-c2ccccc2)[nH]c2c(Cl)cc(Br)cc12 ZINC000036912532 213126349 /nfs/dbraw/zinc/12/63/49/213126349.db2.gz DYOUDGBBCLBJJK-UHFFFAOYSA-N 0 0 334.600 4.611 10 0 EJAERN Cc1cccc(CNc2ccc(I)cc2C)c1 ZINC000035039267 213005374 /nfs/dbraw/zinc/00/53/74/213005374.db2.gz RZUYYLFWEKZHOR-UHFFFAOYSA-N 0 0 337.204 4.520 10 0 EJAERN C1=c2c(cccc2=C(c2ccccc2)c2ccccc2)-c2ccccc21 ZINC000071617849 215789245 /nfs/dbraw/zinc/78/92/45/215789245.db2.gz YFXQFSBWOBTCJG-UHFFFAOYSA-N 0 0 330.430 4.743 10 0 EJAERN Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2cccs2)o1 ZINC000034914887 212998646 /nfs/dbraw/zinc/99/86/46/212998646.db2.gz CZNFJRNEOBWUTK-UHFFFAOYSA-N 0 0 337.404 4.525 10 0 EJAERN COc1ccc(CNc2cc(Cl)ccc2F)cc1Br ZINC000035046082 213004909 /nfs/dbraw/zinc/00/49/09/213004909.db2.gz BZBCOVDUZRRVHF-UHFFFAOYSA-N 0 0 344.611 4.862 10 0 EJAERN CN(C)c1ccc(NC(=O)/C=C\c2c(Cl)cccc2Cl)cc1 ZINC000033316643 212923894 /nfs/dbraw/zinc/92/38/94/212923894.db2.gz OJAICSWGUJXSSJ-KHPPLWFESA-N 0 0 335.234 4.711 10 0 EJAERN COC(=O)C(C)(C)Cc1[nH]c2ccc(OC)cc2c1SC(C)(C)C ZINC000034414634 202274265 /nfs/dbraw/zinc/27/42/65/202274265.db2.gz FSNRSSXPJSHKHJ-UHFFFAOYSA-N 0 0 349.496 4.809 10 0 EJAERN CCCCCC(=O)Nc1c(-c2ccc(C)o2)nc2ccc(C)cn21 ZINC000034914889 202281274 /nfs/dbraw/zinc/28/12/74/202281274.db2.gz LCYDNXAGUPHFLS-UHFFFAOYSA-N 0 0 325.412 4.730 10 0 EJAERN N[C@H](c1cc2cc(Br)ccc2o1)c1ccc(Cl)s1 ZINC000035057087 202286267 /nfs/dbraw/zinc/28/62/67/202286267.db2.gz VVONUSGUFBWQJL-CYBMUJFWSA-N 0 0 342.645 4.958 10 0 EJAERN Cc1ccc(-c2nc(Br)c(Br)s2)cc1 ZINC000072192870 216068130 /nfs/dbraw/zinc/06/81/30/216068130.db2.gz WNNNFZSCHNHJKK-UHFFFAOYSA-N 0 0 333.048 4.644 10 0 EJAERN CC(C)(C)OC(=O)N1CCC[C@H](c2cccc(Br)c2)C1 ZINC000072187434 216068337 /nfs/dbraw/zinc/06/83/37/216068337.db2.gz WXELUJTUWXJRDE-ZDUSSCGKSA-N 0 0 340.261 4.564 10 0 EJAERN Brc1nc(C2CCCCC2)sc1Br ZINC000072192867 216068364 /nfs/dbraw/zinc/06/83/64/216068364.db2.gz KWGBZPNCLAJOKO-UHFFFAOYSA-N 0 0 325.069 4.716 10 0 EJAERN O=C(CSc1ccccc1)c1cc(Br)ccc1F ZINC000036180223 202317350 /nfs/dbraw/zinc/31/73/50/202317350.db2.gz SUXXKGXDPHACCT-UHFFFAOYSA-N 0 0 325.202 4.563 10 0 EJAERN CCOC(=O)c1ccc(Nc2ccnc3c(OCC)cccc23)cc1 ZINC000072237113 216076657 /nfs/dbraw/zinc/07/66/57/216076657.db2.gz FSUBMJDFYKSTIR-UHFFFAOYSA-N 0 0 336.391 4.554 10 0 EJAERN Cc1ccc(CNc2nc(N3CCC(C)CC3)nc3ccccc32)cc1 ZINC000072260661 216085995 /nfs/dbraw/zinc/08/59/95/216085995.db2.gz YPQBUXJDIYLGCD-UHFFFAOYSA-N 0 0 346.478 4.787 10 0 EJAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2ccc(F)cc2)s1 ZINC000072260847 216086284 /nfs/dbraw/zinc/08/62/84/216086284.db2.gz AWPWXATXVGHSFL-UHFFFAOYSA-N 0 0 336.395 4.944 10 0 EJAERN Cc1ccc(CNc2nc(N3CCC[C@H](C)C3)nc3ccccc32)cc1 ZINC000072260659 216086394 /nfs/dbraw/zinc/08/63/94/216086394.db2.gz QXBYBPSRVBFESQ-KRWDZBQOSA-N 0 0 346.478 4.787 10 0 EJAERN Fc1cc(F)c(NCc2ccccc2Cl)c(Br)c1 ZINC000037392858 202340734 /nfs/dbraw/zinc/34/07/34/202340734.db2.gz KBVDYGWMJJGKOG-UHFFFAOYSA-N 0 0 332.575 4.993 10 0 EJAERN Nc1nc(-c2ccc(-c3ccccc3)cc2)c(Br)s1 ZINC000073711073 202366353 /nfs/dbraw/zinc/36/63/53/202366353.db2.gz UIQGVFQKHPYMPJ-UHFFFAOYSA-N 0 0 331.238 4.822 10 0 EJAERN O=C(Nc1c(Cl)cccc1Cl)c1cc(Cl)nc(Cl)c1 ZINC000037974779 202382164 /nfs/dbraw/zinc/38/21/64/202382164.db2.gz UDPVXJGCZYHHAM-UHFFFAOYSA-N 0 0 336.005 4.948 10 0 EJAERN O=C1S/C(=C\c2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 ZINC000039860537 202414875 /nfs/dbraw/zinc/41/48/75/202414875.db2.gz DMOVURNIEQJULL-ZROIWOOFSA-N 0 0 333.771 4.720 10 0 EJAERN COc1cccc(-c2nc3ccccc3n2Cc2ccccc2F)c1 ZINC000040250105 202430572 /nfs/dbraw/zinc/43/05/72/202430572.db2.gz VFTFUGMLKIVJDA-UHFFFAOYSA-N 0 0 332.378 4.899 10 0 EJAERN COCCn1c(Cc2ccc(Cl)cc2)nc2ccc(Cl)cc21 ZINC000040404661 202437812 /nfs/dbraw/zinc/43/78/12/202437812.db2.gz TVSUZSMJIRCVCJ-UHFFFAOYSA-N 0 0 335.234 4.580 10 0 EJAERN Cc1cccc(Nc2ncnc(Nc3ccccc3Cl)c2N)c1 ZINC000040781275 202464212 /nfs/dbraw/zinc/46/42/12/202464212.db2.gz YXIXGUGDSFLJSH-UHFFFAOYSA-N 0 0 325.803 4.508 10 0 EJAERN COc1ccc(Nc2nccc(/C=C/C=C\c3ccccc3)n2)cc1 ZINC000072443708 216236161 /nfs/dbraw/zinc/23/61/61/216236161.db2.gz JOXUHNGGPCMTAU-VTBWALSUSA-N 0 0 329.403 4.955 10 0 EJAERN Oc1cccc2ccc(/C=C\c3ccc(Br)cc3)nc12 ZINC000090549366 201371627 /nfs/dbraw/zinc/37/16/27/201371627.db2.gz YIABCVSURKCEHB-POHAHGRESA-N 0 0 326.193 4.873 10 0 EJAERN COc1ccc(N(c2nc(Cl)nc3ccccc32)C(C)C)cc1 ZINC000090547751 201372011 /nfs/dbraw/zinc/37/20/11/201372011.db2.gz YWPRUJPTVYELJB-UHFFFAOYSA-N 0 0 327.815 4.838 10 0 EJAERN Cc1cccc2c1nc(-c1ccncc1)n2Cc1c(F)cccc1F ZINC000005931360 201361391 /nfs/dbraw/zinc/36/13/91/201361391.db2.gz KVKNXIWANBJVAP-UHFFFAOYSA-N 0 0 335.357 4.733 10 0 EJAERN O=c1oc(Nc2ccc(Oc3ccccc3)cc2)nc2ccccc21 ZINC000021985278 201373583 /nfs/dbraw/zinc/37/35/83/201373583.db2.gz HKFRGWMWWWWFHQ-UHFFFAOYSA-N 0 0 330.343 4.724 10 0 EJAERN FC(F)(F)C1=C[C@]2(CC(c3ccccc3)=NO2)c2ccccc2O1 ZINC000043464943 202512599 /nfs/dbraw/zinc/51/25/99/202512599.db2.gz PXMXKQCTLQOPNS-QGZVFWFLSA-N 0 0 331.293 4.545 10 0 EJAERN Cc1ccc(C)c([C@H](C)NC(=O)c2sccc2Br)c1 ZINC000047724112 202585637 /nfs/dbraw/zinc/58/56/37/202585637.db2.gz QMJNRPNQDADDBJ-NSHDSACASA-N 0 0 338.270 4.618 10 0 EJAERN Cc1[nH]c2ccc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cc2c1C ZINC000022408809 212295153 /nfs/dbraw/zinc/29/51/53/212295153.db2.gz MKBKKQDPHNRXQX-KBPBESRZSA-N 0 0 338.373 4.636 10 0 EJAERN C[Si](C)(C)/C(Br)=C(\Br)[Si](C)(C)C ZINC000195756894 241036097 /nfs/dbraw/zinc/03/60/97/241036097.db2.gz QUJFZVSMBVLZHG-BQYQJAHWSA-N 0 0 330.212 4.743 10 0 EJAERN CCc1ccc(-c2nc3ncccn3c2NCc2ccccc2)cc1 ZINC000021631585 212234644 /nfs/dbraw/zinc/23/46/44/212234644.db2.gz LVBXUOBHVFQEAZ-UHFFFAOYSA-N 0 0 328.419 4.571 10 0 EJAERN CC(C)[C@@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1cccs1 ZINC000021040124 212202084 /nfs/dbraw/zinc/20/20/84/212202084.db2.gz ZPMRHYCIRDDGON-CYBMUJFWSA-N 0 0 329.252 4.577 10 0 EJAERN Nc1cc(C(F)(F)F)ccc1Oc1ccccc1Br ZINC000021013032 212199289 /nfs/dbraw/zinc/19/92/89/212199289.db2.gz OCBJWGUZIWEMGO-UHFFFAOYSA-N 0 0 332.119 4.842 10 0 EJAERN CC(C)(C)n1cc(-c2ccccc2)cc1Cn1nnc2ccccc21 ZINC000005284371 201645258 /nfs/dbraw/zinc/64/52/58/201645258.db2.gz QHDUBCNUXAWPMI-UHFFFAOYSA-N 0 0 330.435 4.703 10 0 EJAERN CCc1ccc(NC(=O)COc2cc(C)ccc2C(C)(C)C)cc1 ZINC000005471016 201652453 /nfs/dbraw/zinc/65/24/53/201652453.db2.gz YZXLRUSWIZTZSF-UHFFFAOYSA-N 0 0 325.452 4.872 10 0 EJAERN S=C1N=NC(c2cccs2)N1c1cc(Cl)ccc1Cl ZINC000020591027 212150452 /nfs/dbraw/zinc/15/04/52/212150452.db2.gz XQSGVQIKYJJQGM-UHFFFAOYSA-N 0 0 328.249 4.591 10 0 EJAERN Oc1ccc2cc(/C=C/c3nnc(C(Cl)(Cl)Cl)o3)oc2c1 ZINC000256011232 244064349 /nfs/dbraw/zinc/06/43/49/244064349.db2.gz XLPVAXVUJOLFGH-ONEGZZNKSA-N 0 0 345.569 4.519 10 0 EJAERN CCc1ccc2oc([C@H](N)c3ccc(Br)cc3)cc2c1 ZINC000020389495 212124337 /nfs/dbraw/zinc/12/43/37/212124337.db2.gz YYPIXCNJNIBYAD-QGZVFWFLSA-N 0 0 330.225 4.806 10 0 EJAERN Clc1nc2sccc2c(Nc2cccc(Br)c2)n1 ZINC000077098737 216838040 /nfs/dbraw/zinc/83/80/40/216838040.db2.gz VMEQHOONPZJLEX-UHFFFAOYSA-N 0 0 340.633 4.851 10 0 EJAERN Cc1ccc([C@H](C)NC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)o1 ZINC000071923405 203152918 /nfs/dbraw/zinc/15/29/18/203152918.db2.gz OAAGGLAMCNJZPL-LBPRGKRZSA-N 0 0 341.411 4.909 10 0 EJAERN COC(=O)c1cccc(Nc2ccnc3cc(Cl)c(C)cc32)c1 ZINC000072237419 203184102 /nfs/dbraw/zinc/18/41/02/203184102.db2.gz FPXHCMBPVIUOBM-UHFFFAOYSA-N 0 0 326.783 4.727 10 0 EJAERN COc1ccc(Nc2nc(N3CCCCCC3)nc3ccccc32)cc1 ZINC000072261096 203185575 /nfs/dbraw/zinc/18/55/75/203185575.db2.gz MUTZYLUOAJGCPY-UHFFFAOYSA-N 0 0 348.450 4.762 10 0 EJAERN CC[C@@H](Nc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000019916244 212083536 /nfs/dbraw/zinc/08/35/36/212083536.db2.gz IYSGBYLIKQHVJV-OAHLLOKOSA-N 0 0 348.240 4.784 10 0 EJAERN C[C@@H](Nc1ccc(Br)cc1F)c1nc2ccccc2n1C ZINC000019908037 212082049 /nfs/dbraw/zinc/08/20/49/212082049.db2.gz OHWDAYARJLELCQ-SNVBAGLBSA-N 0 0 348.219 4.648 10 0 EJAERN COc1cc([C@@H](C)Nc2ccc(C)cc2Br)ccc1O ZINC000019901656 212080681 /nfs/dbraw/zinc/08/06/81/212080681.db2.gz RBKAGEORJOLVIE-LLVKDONJSA-N 0 0 336.229 4.645 10 0 EJAERN CC(C)(C)OC(=O)Nc1cc(C(C)(C)C)cc(N)c1Br ZINC000089194905 203570637 /nfs/dbraw/zinc/57/06/37/203570637.db2.gz ZOIGGUUTVQLBQA-UHFFFAOYSA-N 0 0 343.265 4.676 10 0 EJAERN COC(=O)c1c(OCc2ccccc2)cccc1OCc1ccccc1 ZINC000098179392 203987429 /nfs/dbraw/zinc/98/74/29/203987429.db2.gz RFELGCBAWCSEIG-UHFFFAOYSA-N 0 0 348.398 4.631 10 0 EJAERN Brc1ccsc1COc1cccc(Br)c1 ZINC000103881414 204087296 /nfs/dbraw/zinc/08/72/96/204087296.db2.gz KPRZUCUXCQZYJN-UHFFFAOYSA-N 0 0 348.059 4.852 10 0 EJAERN CNc1c2cc(Br)cc(Cl)c2nc2c1CCCC2 ZINC000104011585 204094160 /nfs/dbraw/zinc/09/41/60/204094160.db2.gz DVAYHFCCVTURDI-UHFFFAOYSA-N 0 0 325.637 4.571 10 0 EJAERN NC(=S)c1cc(Cl)ccc1Oc1cccc(Br)c1 ZINC000104182117 204100417 /nfs/dbraw/zinc/10/04/17/204100417.db2.gz UBCQGHAGJNYVKM-UHFFFAOYSA-N 0 0 342.645 4.529 10 0 EJAERN C[C@H](O)c1ccccc1N[C@@H](C)c1ccc(Br)s1 ZINC000049543196 214015557 /nfs/dbraw/zinc/01/55/57/214015557.db2.gz YEHHXUZSDUDGOJ-UWVGGRQHSA-N 0 0 326.259 4.737 10 0 EJAERN Cc1ccccc1[C@H](C)NC(=O)Nc1c(C)cccc1OC(F)F ZINC000078593092 217081956 /nfs/dbraw/zinc/08/19/56/217081956.db2.gz AQEUGWCXMBSFQY-ZDUSSCGKSA-N 0 0 334.366 4.788 10 0 EJAERN O=C(c1ccc(Cl)cc1)N1CCCC(c2ccc(Cl)cc2)=N1 ZINC000013744686 211630054 /nfs/dbraw/zinc/63/00/54/211630054.db2.gz GNEMLJHVMXSODL-UHFFFAOYSA-N 0 0 333.218 4.634 10 0 EJAERN COc1ccccc1CNCc1ccccc1OCc1ccc(C)cc1 ZINC000013720709 211620631 /nfs/dbraw/zinc/62/06/31/211620631.db2.gz OMYIVYCMGNFQSB-UHFFFAOYSA-N 0 0 347.458 4.872 10 0 EJAERN c1cc(CN2CCc3c4ccccc4[nH]c3[C@H]2C2CCCCC2)n[nH]1 ZINC000012316315 211344708 /nfs/dbraw/zinc/34/47/08/211344708.db2.gz MHCQYPTVLOPKDS-OAQYLSRUSA-N 0 0 334.467 4.571 10 0 EJAERN CC(C)c1nc2cc(C(=O)N3CCCC[C@@H]3c3cccnc3)ccc2o1 ZINC000012320062 211343295 /nfs/dbraw/zinc/34/32/95/211343295.db2.gz QKVZYGMZOFDRRK-GOSISDBHSA-N 0 0 349.434 4.714 10 0 EJAERN Fc1cccc([C@H]2CCN(Cc3ncc[nH]3)c3ccccc3S2)c1 ZINC000012241922 211328264 /nfs/dbraw/zinc/32/82/64/211328264.db2.gz IJBVUHKVGPLGNL-QGZVFWFLSA-N 0 0 339.439 4.793 10 0 EJAERN CC(=O)Nc1sc2cnccc2c1C(=O)c1cccc2ccccc21 ZINC000090759800 217951101 /nfs/dbraw/zinc/95/11/01/217951101.db2.gz UDOFVEKNKTUUEK-UHFFFAOYSA-N 0 0 346.411 4.639 10 0 EJAERN CC[C@@](C)(CC(=O)Nc1nccs1)Cc1nc2ccccc2s1 ZINC000009255846 211057743 /nfs/dbraw/zinc/05/77/43/211057743.db2.gz HORUVONERUCNAF-KRWDZBQOSA-N 0 0 345.493 4.740 10 0 EJAERN CC[C@@H](C)[C@@H](CSC(F)(F)F)NC(=O)OCc1ccccc1 ZINC000095918485 218450502 /nfs/dbraw/zinc/45/05/02/218450502.db2.gz IAHBOUIYIJQXRM-DGCLKSJQSA-N 0 0 335.391 4.581 10 0 EJAERN Oc1ccc(-c2nc(-c3ccc(O)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000005687431 210517108 /nfs/dbraw/zinc/51/71/08/210517108.db2.gz DNTFESJRYSPRGH-UHFFFAOYSA-N 0 0 328.371 4.822 10 0 EJAERN CC(C)c1nnc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)s1 ZINC000005523026 210481411 /nfs/dbraw/zinc/48/14/11/210481411.db2.gz DJWJLQYJMGPUDB-GQCTYLIASA-N 0 0 342.251 4.620 10 0 EJAERN O=C1c2ccccc2[C@H](Nc2cccc(F)c2)N1Cc1ccccc1 ZINC000004960460 210340579 /nfs/dbraw/zinc/34/05/79/210340579.db2.gz LGJXTTDJHUMGTN-HXUWFJFHSA-N 0 0 332.378 4.592 10 0 EJAERN COc1ccc(N[C@@H]2c3ccccc3C(=O)N2c2ccccc2C)cc1 ZINC000004918687 210323557 /nfs/dbraw/zinc/32/35/57/210323557.db2.gz HDCGFUARIURHJW-NRFANRHFSA-N 0 0 344.414 4.775 10 0 EJAERN O=C1c2ccccc2[C@@H](Nc2cccnc2)N1Cc1ccccc1Cl ZINC000004915111 210322644 /nfs/dbraw/zinc/32/26/44/210322644.db2.gz CSJUVXOLRGMDOM-IBGZPJMESA-N 0 0 349.821 4.502 10 0 aggregator EJAERN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCC(=O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000118912677 221201992 /nfs/dbraw/zinc/20/19/92/221201992.db2.gz SYTVBUBBHFDVIK-VIMRINFKSA-N 0 0 332.484 4.530 10 0 EJAERN C[C@H]1c2ccccc2O[C@H]1c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 ZINC000299752054 258007108 /nfs/dbraw/zinc/00/71/08/258007108.db2.gz SOMBAGLBFCGAKL-PTKHLAPESA-N 0 0 348.402 4.552 10 0 EJAERN C[C@@H](c1cccs1)c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 ZINC000299742217 258009085 /nfs/dbraw/zinc/00/90/85/258009085.db2.gz IWHMDXFCWMAMSQ-DUVNUKRYSA-N 0 0 326.421 4.528 10 0 EJAERN Cc1ccccc1-c1noc(NCc2cccc(C(F)(F)F)c2)n1 ZINC000057354115 525021363 /nfs/dbraw/zinc/02/13/63/525021363.db2.gz GMLTUAMOOIKLGM-UHFFFAOYSA-N 0 0 333.313 4.676 10 0 EJAERN Cc1nc([C@@H](C)N[C@H](C)c2ccccc2Br)cs1 ZINC000036945690 527034409 /nfs/dbraw/zinc/03/44/09/527034409.db2.gz UTUKITOKXZJSST-NXEZZACHSA-N 0 0 325.275 4.626 10 0 EJAERN Cc1nc([C@H](C)N[C@@H](C)c2ccccc2Br)cs1 ZINC000036945689 527066033 /nfs/dbraw/zinc/06/60/33/527066033.db2.gz UTUKITOKXZJSST-UWVGGRQHSA-N 0 0 325.275 4.626 10 0 EJAERN Cc1ccc(NC(=O)C2[C@@H]3CC[C@H]4[C@@H](CC[C@H]23)C4(Cl)Cl)cc1 ZINC000003061685 563470543 /nfs/dbraw/zinc/47/05/43/563470543.db2.gz RBSXVVJDEPZIAL-UWCTXQHWSA-N 0 0 338.278 4.790 10 0 EJAERN CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000004300881 563499411 /nfs/dbraw/zinc/49/94/11/563499411.db2.gz JZLMMQSLSDGJJE-APHBMKBZSA-N 0 0 327.390 4.896 10 0 EJAERN O=C(c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 ZINC000032222344 563913654 /nfs/dbraw/zinc/91/36/54/563913654.db2.gz WBTNCOKTRQISPJ-UHFFFAOYSA-N 0 0 329.115 4.699 10 0 EJAERN CC(C)n1cc(C(F)F)c(-c2cc(Br)ccc2F)n1 ZINC000725270635 563987910 /nfs/dbraw/zinc/98/79/10/563987910.db2.gz QJDIGUCKOPMKFN-UHFFFAOYSA-N 0 0 333.151 4.970 10 0 EJAERN COc1ccc(N[C@H]2c3ccccc3C(=O)N2c2ccccc2C)cc1 ZINC000004918695 563992477 /nfs/dbraw/zinc/99/24/77/563992477.db2.gz HDCGFUARIURHJW-OAQYLSRUSA-N 0 0 344.414 4.775 10 0 EJAERN COc1ccc2c(c1)c(C=O)cn2Cc1cccc(C(F)(F)F)c1 ZINC000169676276 564017141 /nfs/dbraw/zinc/01/71/41/564017141.db2.gz AHOROEISGVLMSN-UHFFFAOYSA-N 0 0 333.309 4.530 10 0 EJAERN C=Cc1ccc(NC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC000044857417 564027174 /nfs/dbraw/zinc/02/71/74/564027174.db2.gz OPPVFSXCPIWRCE-AYHJJNSGSA-N 0 0 328.456 4.672 10 0 EJAERN Fc1ccc(CSc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000006877790 564100400 /nfs/dbraw/zinc/10/04/00/564100400.db2.gz ARIACTJCLSGXNF-UHFFFAOYSA-N 0 0 349.434 4.911 10 0 EJAERN Cc1cc(-c2c(-c3ccccc3)ncn2CCCO)c(C)n1C(C)C ZINC000065502528 564106637 /nfs/dbraw/zinc/10/66/37/564106637.db2.gz RICDPBJPTRLDEQ-UHFFFAOYSA-N 0 0 337.467 4.599 10 0 EJAERN CC(C)[C@@H](NC(=O)CC(C)(C)C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096276109 564146251 /nfs/dbraw/zinc/14/62/51/564146251.db2.gz RWQAHBRQGXTHNE-OAHLLOKOSA-N 0 0 349.862 4.640 10 0 EJAERN CCCCNC(=O)c1ccc(CSCc2ccc(Cl)cc2)o1 ZINC000003049298 564154727 /nfs/dbraw/zinc/15/47/27/564154727.db2.gz JCPWRKBBRKXIKT-UHFFFAOYSA-N 0 0 337.872 4.896 10 0 EJAERN CC(C)C[C@H](C)C(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960485 564177113 /nfs/dbraw/zinc/17/71/13/564177113.db2.gz MSHAFBRXRDEGEM-INIZCTEOSA-N 0 0 333.472 4.675 10 0 EJAERN CC[C@@H](C)[C@H](C)C(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960571 564177173 /nfs/dbraw/zinc/17/71/73/564177173.db2.gz SDERAKSSXJDGLE-CVEARBPZSA-N 0 0 333.472 4.675 10 0 EJAERN NC(=S)c1c(Cl)cccc1Oc1ccccc1Br ZINC000052908380 214153089 /nfs/dbraw/zinc/15/30/89/214153089.db2.gz BSWXABHNFIAAOZ-UHFFFAOYSA-N 0 0 342.645 4.529 10 0 EJAERN Cc1ccc(OCc2c(N)cccc2Br)c(Cl)c1 ZINC000054348771 214232498 /nfs/dbraw/zinc/23/24/98/214232498.db2.gz XRGMAYRWKLYJAC-UHFFFAOYSA-N 0 0 326.621 4.572 10 0 EJAERN CCc1ccc2oc(C(=O)Nc3ccc(OC)c(OC)c3)c(C)c2c1 ZINC000054644758 214247068 /nfs/dbraw/zinc/24/70/68/214247068.db2.gz YBUHUVNCLSQLBY-UHFFFAOYSA-N 0 0 339.391 4.573 10 0 EJAERN Cc1cc([C@@H]2CCCCN2Cc2ccc(OC(F)(F)F)cc2)no1 ZINC000097756376 219054399 /nfs/dbraw/zinc/05/43/99/219054399.db2.gz RNGCOODSDWGRAT-INIZCTEOSA-N 0 0 340.345 4.609 10 0 EJAERN FC(F)(F)c1ccc(Nc2nc(Cl)c3c(n2)CCCC3)cc1 ZINC000057343411 214420930 /nfs/dbraw/zinc/42/09/30/214420930.db2.gz NQQJVKZYDHJCPJ-UHFFFAOYSA-N 0 0 327.737 4.771 10 0 EJAERN C/C=C\C=C/C(=O)Nc1ccc(OC)c(Oc2ccc(OC)cc2)c1 ZINC000098003380 219067121 /nfs/dbraw/zinc/06/71/21/219067121.db2.gz YBJRATXMQDIUFM-RZSVFLSASA-N 0 0 339.391 4.567 10 0 EJAERN O=C(Nc1ccc(F)c(F)c1)/C(=C\c1ccco1)c1ccccc1 ZINC000059331385 214617156 /nfs/dbraw/zinc/61/71/56/214617156.db2.gz LKZZEISAVLZJKU-VBKFSLOCSA-N 0 0 325.314 4.737 10 0 EJAERN CCOC(=O)c1nc(-c2ccc(Cl)cc2)oc1-c1ccccc1 ZINC000098178291 219086461 /nfs/dbraw/zinc/08/64/61/219086461.db2.gz BWIDLUMGRCCOJT-UHFFFAOYSA-N 0 0 327.767 4.839 10 0 EJAERN CC(C)c1nnc2cc(CCc3cc(F)cc(F)c3)cc(Cl)n21 ZINC000098180270 219086519 /nfs/dbraw/zinc/08/65/19/219086519.db2.gz MPHOHONIXJNJKS-UHFFFAOYSA-N 0 0 335.785 4.570 10 0 EJAERN COCCn1c(-c2ccc(Cl)cc2)cs/c1=N/c1ccccc1 ZINC000100376006 219097880 /nfs/dbraw/zinc/09/78/80/219097880.db2.gz YIIXNFPPVSHCNJ-CZIZESTLSA-N 0 0 344.867 4.749 10 0 EJAERN c1ccc2nc(N3CCCC3)c(Oc3cccc4cccnc43)nc2c1 ZINC000064438529 214785659 /nfs/dbraw/zinc/78/56/59/214785659.db2.gz NVUWGSPNUOFSEF-UHFFFAOYSA-N 0 0 342.402 4.571 10 0 EJAERN CCc1ccc(NC(=O)c2ccccc2Cl)c(Br)c1 ZINC000065000252 214822049 /nfs/dbraw/zinc/82/20/49/214822049.db2.gz LZKLHDJRWUOWIA-UHFFFAOYSA-N 0 0 338.632 4.917 10 0 EJAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1c(Cl)cccc1Cl)C2 ZINC000004336624 210175030 /nfs/dbraw/zinc/17/50/30/210175030.db2.gz BRTBKJYYKUTGHA-JUKMUDQWSA-N 0 0 326.267 4.938 10 0 EJAERN C[C@@H](Oc1ccccc1Br)C(=O)c1ccc(Cl)cc1 ZINC000047820416 213869500 /nfs/dbraw/zinc/86/95/00/213869500.db2.gz MHVHFTVYESYYRN-SNVBAGLBSA-N 0 0 339.616 4.753 10 0 EJAERN Cc1cccc(C(=O)n2c(COc3ccccc3)nc3ccccc32)c1 ZINC000010151136 201795142 /nfs/dbraw/zinc/79/51/42/201795142.db2.gz LYIVLHCJYQEMDU-UHFFFAOYSA-N 0 0 342.398 4.612 10 0 EJAERN Cc1ccc2c(n1)nc(C)cc2Nc1ccccc1Br ZINC000047162445 213833983 /nfs/dbraw/zinc/83/39/83/213833983.db2.gz WRDXHVNVRVTIHY-UHFFFAOYSA-N 0 0 328.213 4.753 10 0 EJAERN Nc1cc(Cn2ccc3cc(Br)ccc32)ccc1Cl ZINC000036964730 201840883 /nfs/dbraw/zinc/84/08/83/201840883.db2.gz YROBYGCPCWZFTL-UHFFFAOYSA-N 0 0 335.632 4.688 10 0 EJAERN O=C(Nc1cc(F)c(F)cc1Cl)Oc1ccc2cccnc2c1 ZINC000013208191 201887283 /nfs/dbraw/zinc/88/72/83/201887283.db2.gz SVFVQEIODFQNOD-UHFFFAOYSA-N 0 0 334.709 4.777 10 0 EJAERN CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCc2ccccc21 ZINC000045596417 213744102 /nfs/dbraw/zinc/74/41/02/213744102.db2.gz QALJXHXDFHWPLI-HNNXBMFYSA-N 0 0 334.872 4.621 10 0 EJAERN O=C(CCCc1ccc(C2CCCCC2)c(Cl)c1)N1CCOCC1 ZINC000003623753 210069147 /nfs/dbraw/zinc/06/91/47/210069147.db2.gz GCECPNQPPJYYOR-UHFFFAOYSA-N 0 0 349.902 4.569 10 0 EJAERN Clc1nc(NCCC2=CCCCC2)nc(Nc2ccccc2)n1 ZINC000003625189 210068717 /nfs/dbraw/zinc/06/87/17/210068717.db2.gz HJYQSTLVXKJKBE-UHFFFAOYSA-N 0 0 329.835 4.571 10 0 EJAERN Cc1nc(CN2CCCC[C@H]2c2nc3ccccc3s2)oc1C ZINC000066411608 215039386 /nfs/dbraw/zinc/03/93/86/215039386.db2.gz YWTFGCSFMLGYHD-HNNXBMFYSA-N 0 0 327.453 4.628 10 0 EJAERN CC(C)N(Cc1cccs1)c1ccc(Br)cc1N ZINC000042517544 213510716 /nfs/dbraw/zinc/51/07/16/213510716.db2.gz RRQUKTVYTCLPHJ-UHFFFAOYSA-N 0 0 325.275 4.508 10 0 EJAERN Cc1cccc(Cn2cc3c(Cl)nnc-3c3cc(F)ccc32)c1 ZINC000103650032 219318550 /nfs/dbraw/zinc/31/85/50/219318550.db2.gz OTMQLIYICAKQBZ-UHFFFAOYSA-N 0 0 325.774 4.685 10 0 EJAERN O=C(Cc1ccccc1Br)c1ccc(F)c(Cl)c1 ZINC000103937800 219330449 /nfs/dbraw/zinc/33/04/49/219330449.db2.gz NXVDMAABHSANTO-UHFFFAOYSA-N 0 0 327.580 4.667 10 0 EJAERN CC(C)[C@H]1CCC(=O)[C@@H](Cc2ccc(Br)cc2F)C1 ZINC000103940148 219330861 /nfs/dbraw/zinc/33/08/61/219330861.db2.gz OXBGJBAGZIPVMH-WCQYABFASA-N 0 0 327.237 4.772 10 0 EJAERN Fc1ccc(OCCNc2ccccc2Br)c(Cl)c1 ZINC000104002753 219337259 /nfs/dbraw/zinc/33/72/59/219337259.db2.gz OLROHIYBRMNEFF-UHFFFAOYSA-N 0 0 344.611 4.733 10 0 EJAERN CC[C@H]1CCCC[C@H]1OCCNc1ccccc1Br ZINC000104014752 219338671 /nfs/dbraw/zinc/33/86/71/219338671.db2.gz OLDQSNUREBLGQF-XJKSGUPXSA-N 0 0 326.278 4.846 10 0 EJAERN Cc1ccc(NCCOc2ccc(Br)cc2)c(Cl)c1 ZINC000104017456 219339005 /nfs/dbraw/zinc/33/90/05/219339005.db2.gz AJCGDCVJYJSYDQ-UHFFFAOYSA-N 0 0 340.648 4.902 10 0 EJAERN Cc1cccc(CNc2cccc(I)c2)c1C ZINC000104029185 219339905 /nfs/dbraw/zinc/33/99/05/219339905.db2.gz OFMDWUXEGPZFSF-UHFFFAOYSA-N 0 0 337.204 4.520 10 0 EJAERN Fc1cccc(F)c1CNc1cc(Br)ccc1Cl ZINC000103970186 219333777 /nfs/dbraw/zinc/33/37/77/219333777.db2.gz WRCHXCBJYHJJAU-UHFFFAOYSA-N 0 0 332.575 4.993 10 0 EJAERN COc1ccc(COc2ccc(C)cc2Cl)cc1Br ZINC000103971945 219334249 /nfs/dbraw/zinc/33/42/49/219334249.db2.gz CWXLCYRTHURZSE-UHFFFAOYSA-N 0 0 341.632 4.999 10 0 EJAERN Cc1cc(Br)ccc1Oc1nc2ccc(N)cc2s1 ZINC000103977270 219335454 /nfs/dbraw/zinc/33/54/54/219335454.db2.gz CJHMPBSMEDBQFH-UHFFFAOYSA-N 0 0 335.226 4.742 10 0 EJAERN Cc1cc(Br)ccc1NCc1cc(F)c(F)c(F)c1 ZINC000104037139 219341379 /nfs/dbraw/zinc/34/13/79/219341379.db2.gz XZTFWNIBBPZYKI-UHFFFAOYSA-N 0 0 330.147 4.787 10 0 EJAERN Cc1ccc(NC2=N[C@H](CC(C)C)CS2)cc1Br ZINC000104052133 219341917 /nfs/dbraw/zinc/34/19/17/219341917.db2.gz KBIRSCBJAIIOJD-GFCCVEGCSA-N 0 0 327.291 4.687 10 0 EJAERN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccnc2c(F)cc(F)cc12 ZINC000041058168 213412535 /nfs/dbraw/zinc/41/25/35/213412535.db2.gz YGHKEDKGJVJBER-ZZXKWVIFSA-N 0 0 344.748 4.818 10 0 EJAERN Cc1c(Cl)nnc(Nc2cc(Br)ccc2Cl)c1C ZINC000104162639 219354190 /nfs/dbraw/zinc/35/41/90/219354190.db2.gz NJFPXWAIDSGTPR-UHFFFAOYSA-N 0 0 347.043 4.906 10 0 EJAERN Clc1cc(Br)ccc1-c1nnc(-c2ccccc2)[nH]1 ZINC000104163977 219354787 /nfs/dbraw/zinc/35/47/87/219354787.db2.gz GBAJPYKYEIHJGS-UHFFFAOYSA-N 0 0 334.604 4.555 10 0 EJAERN Cc1ccc(C)c(C[C@H](O)c2cc(Br)ccc2Cl)c1 ZINC000104181309 219355627 /nfs/dbraw/zinc/35/56/27/219355627.db2.gz MLVVAXBDYDXKOP-INIZCTEOSA-N 0 0 339.660 4.995 10 0 EJAERN Cc1ccc(C)c(C[C@@H](O)c2cc(Br)ccc2Cl)c1 ZINC000104181313 219356031 /nfs/dbraw/zinc/35/60/31/219356031.db2.gz MLVVAXBDYDXKOP-MRXNPFEDSA-N 0 0 339.660 4.995 10 0 EJAERN COc1ccc2sc(C(=O)Oc3ccc(F)cc3)c(Cl)c2c1 ZINC000041008077 213408683 /nfs/dbraw/zinc/40/86/83/213408683.db2.gz QPZKFVDIAUWREN-UHFFFAOYSA-N 0 0 336.771 4.922 10 0 EJAERN CCCc1c(Cl)ncnc1Oc1ccc(Br)cc1F ZINC000104212228 219361244 /nfs/dbraw/zinc/36/12/44/219361244.db2.gz BBQGTKIVRLZMEN-UHFFFAOYSA-N 0 0 345.599 4.776 10 0 EJAERN Cc1cc(C)c(C)c([C@H](O)c2sccc2Br)c1C ZINC000104287011 219370898 /nfs/dbraw/zinc/37/08/98/219370898.db2.gz ABTJGJMXUXYKCH-AWEZNQCLSA-N 0 0 325.271 4.826 10 0 EJAERN C[C@H](O)c1c(F)cccc1Sc1ccccc1Br ZINC000104297370 219371408 /nfs/dbraw/zinc/37/14/08/219371408.db2.gz IQWHTOPAHLJSID-VIFPVBQESA-N 0 0 327.218 4.793 10 0 EJAERN Cc1cc(OCCCC(=O)Nc2ccc(F)cc2)cc(C)c1Cl ZINC000040912626 213399555 /nfs/dbraw/zinc/39/95/55/213399555.db2.gz XZUDVLLLNKKYLZ-UHFFFAOYSA-N 0 0 335.806 4.894 10 0 EJAERN COc1cc(/C=C/C(=O)Oc2ccc(Cl)cc2)ccc1OC(C)C ZINC000040882086 213397238 /nfs/dbraw/zinc/39/72/38/213397238.db2.gz BIBATXFMKLDDKO-VZUCSPMQSA-N 0 0 346.810 4.755 10 0 EJAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1Nc1ccccc1Cl ZINC000040781279 213385874 /nfs/dbraw/zinc/38/58/74/213385874.db2.gz NFEUDYPMFNBXEE-UHFFFAOYSA-N 0 0 346.221 4.853 10 0 EJAERN Cc1ccc(Oc2ncnc(Nc3ccccc3Cl)c2N)cc1 ZINC000040781326 213385572 /nfs/dbraw/zinc/38/55/72/213385572.db2.gz QWCKYDQCRCBSLI-UHFFFAOYSA-N 0 0 326.787 4.557 10 0 EJAERN Cc1cc(Oc2ncnc(Nc3ccc(F)cc3)c2N)ccc1Cl ZINC000040782499 213387151 /nfs/dbraw/zinc/38/71/51/213387151.db2.gz XNWBFTLARDNXHD-UHFFFAOYSA-N 0 0 344.777 4.696 10 0 EJAERN Cc1ccc(Nc2ncnc(Oc3ccc(Cl)c(C)c3)c2N)cc1 ZINC000040782078 213386896 /nfs/dbraw/zinc/38/68/96/213386896.db2.gz SNZQSFBKOSITCU-UHFFFAOYSA-N 0 0 340.814 4.865 10 0 EJAERN Cc1ccc(Oc2ncnc(Nc3ccc(Cl)cc3)c2N)cc1C ZINC000040782223 213386681 /nfs/dbraw/zinc/38/66/81/213386681.db2.gz UYTMOUBPSFOTMP-UHFFFAOYSA-N 0 0 340.814 4.865 10 0 EJAERN Cc1ccc(Nc2ncnc(Nc3ccccc3Cl)c2N)cc1 ZINC000040781278 213386194 /nfs/dbraw/zinc/38/61/94/213386194.db2.gz CPZGBLIGFVDNGQ-UHFFFAOYSA-N 0 0 325.803 4.508 10 0 EJAERN Cc1ccc(Nc2ncnc(NC3CCCCCC3)c2N)c(C)c1 ZINC000040755558 213383200 /nfs/dbraw/zinc/38/32/00/213383200.db2.gz RRZDVJFWRBYGEB-UHFFFAOYSA-N 0 0 325.460 4.554 10 0 EJAERN Nc1c(Nc2ccc(F)cc2)ncnc1Sc1ccc(Cl)cc1 ZINC000040723041 213376479 /nfs/dbraw/zinc/37/64/79/213376479.db2.gz JHAOUAGAZQPOAU-UHFFFAOYSA-N 0 0 346.818 4.746 10 0 EJAERN CC[C@@H]1CCCC[C@H]1Oc1ccc(Br)cc1[C@H](C)O ZINC000104387065 219383961 /nfs/dbraw/zinc/38/39/61/219383961.db2.gz RQZZTAIJYGAAKY-YWPYICTPSA-N 0 0 327.262 4.850 10 0 EJAERN Cc1ccc(Nc2ncnc(Oc3ccccc3)c2N)cc1Cl ZINC000040703811 213372393 /nfs/dbraw/zinc/37/23/93/213372393.db2.gz YYDIUWGJBCUYJQ-UHFFFAOYSA-N 0 0 326.787 4.557 10 0 EJAERN Cc1ccc(C)c(Nc2ncnc(Nc3ccc(C)c(C)c3)c2N)c1 ZINC000040702667 213372005 /nfs/dbraw/zinc/37/20/05/213372005.db2.gz GHSHGVCUGQSFGY-UHFFFAOYSA-N 0 0 333.439 4.780 10 0 EJAERN Cc1cc(C)cc(Nc2ncnc(Nc3ccccc3Cl)c2N)c1 ZINC000040681991 213368581 /nfs/dbraw/zinc/36/85/81/213368581.db2.gz TVMZRPOBKWLWRG-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN Cc1cc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)n(-c2ccccc2)n1 ZINC000040564134 213351331 /nfs/dbraw/zinc/35/13/31/213351331.db2.gz YTGOFRGMFIGZRA-UHFFFAOYSA-N 0 0 344.418 4.531 10 0 EJAERN CCOc1ccccc1/C=C/C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001986525 209808807 /nfs/dbraw/zinc/80/88/07/209808807.db2.gz XRCFAYWQBSGXTP-ZHACJKMWSA-N 0 0 335.325 4.756 10 0 EJAERN c1cc2c(ncnc2Nc2cccc(-c3nc4ccccc4s3)c2)[nH]1 ZINC000040422995 213302000 /nfs/dbraw/zinc/30/20/00/213302000.db2.gz BMGGDZTXJBWQCN-UHFFFAOYSA-N 0 0 343.415 4.978 10 0 EJAERN CCc1nc2cc(Cl)ccc2n1CCc1ccc(OC)c(OC)c1 ZINC000040406886 213299802 /nfs/dbraw/zinc/29/98/02/213299802.db2.gz KTFMLYVTSJJRAH-UHFFFAOYSA-N 0 0 344.842 4.512 10 0 EJAERN COCCCn1c(Cc2cccc3ccccc32)nc2ccccc21 ZINC000040389422 213296982 /nfs/dbraw/zinc/29/69/82/213296982.db2.gz QYQGUCNYJGZORJ-UHFFFAOYSA-N 0 0 330.431 4.817 10 0 EJAERN COCCn1c2ccc(C(F)(F)F)cc2nc1-c1cccc(C)c1 ZINC000040404535 213299441 /nfs/dbraw/zinc/29/94/41/213299441.db2.gz PFLJEEPVEHRVLK-UHFFFAOYSA-N 0 0 334.341 4.677 10 0 EJAERN COCCCn1c(Cc2ccc(Cl)cc2)nc2ccc(Cl)cc21 ZINC000040402815 213299254 /nfs/dbraw/zinc/29/92/54/213299254.db2.gz OAEPFCYVGLFBSU-UHFFFAOYSA-N 0 0 349.261 4.970 10 0 EJAERN CCOCCn1c(Cc2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000040405113 213299290 /nfs/dbraw/zinc/29/92/90/213299290.db2.gz HOCXCSYMXHLWQP-UHFFFAOYSA-N 0 0 349.261 4.970 10 0 EJAERN Cc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000040323874 213292056 /nfs/dbraw/zinc/29/20/56/213292056.db2.gz IXCPMQSXMPHXET-UHFFFAOYSA-N 0 0 342.851 4.702 10 0 EJAERN CCCCCCn1c(CNC(=O)c2ccccc2C)nc2ccccc21 ZINC000040275889 213287317 /nfs/dbraw/zinc/28/73/17/213287317.db2.gz PERJZYXWGMSLJL-UHFFFAOYSA-N 0 0 349.478 4.855 10 0 EJAERN COc1cccc(-c2nc3ccccc3n2Cc2ccccc2OC)c1 ZINC000040250118 213284787 /nfs/dbraw/zinc/28/47/87/213284787.db2.gz XNHQVRLAGGRQAT-UHFFFAOYSA-N 0 0 344.414 4.769 10 0 EJAERN Cc1cccc(-c2nc3ccccc3n2CC(=O)c2ccccc2)c1 ZINC000040239714 213284611 /nfs/dbraw/zinc/28/46/11/213284611.db2.gz QMWJYAJGQJEAGK-UHFFFAOYSA-N 0 0 326.399 4.895 10 0 EJAERN Cc1ccc(OCCn2c3ccccc3nc2C(F)(F)F)c(C)c1 ZINC000040231782 213283225 /nfs/dbraw/zinc/28/32/25/213283225.db2.gz LZCKJAAKETZVKK-UHFFFAOYSA-N 0 0 334.341 4.751 10 0 EJAERN C/C=C/C(=O)NCCCCCc1nc2ccccc2n1CCCCC ZINC000040219408 213283019 /nfs/dbraw/zinc/28/30/19/213283019.db2.gz OWDMLXLIONITTO-UUILKARUSA-N 0 0 341.499 4.632 10 0 EJAERN Cc1ccc(OCCn2c3ccccc3nc2-c2ccco2)c(C)c1 ZINC000040239004 213283853 /nfs/dbraw/zinc/28/38/53/213283853.db2.gz LUMONJCUJSFAIY-UHFFFAOYSA-N 0 0 332.403 4.992 10 0 EJAERN CCCCCCn1c(CCNC(=O)C(CC)CC)nc2ccccc21 ZINC000040198082 213281092 /nfs/dbraw/zinc/28/10/92/213281092.db2.gz YDOQYVGXTDUQCA-UHFFFAOYSA-N 0 0 343.515 4.712 10 0 EJAERN COc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)oc1C ZINC000040178803 213279601 /nfs/dbraw/zinc/27/96/01/213279601.db2.gz DEJQZIAHYUALNX-UHFFFAOYSA-N 0 0 325.339 4.655 10 0 EJAERN COc1ccc(Oc2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1 ZINC000040179119 213279658 /nfs/dbraw/zinc/27/96/58/213279658.db2.gz IWKVBBXSMNEDTB-UHFFFAOYSA-N 0 0 337.350 4.879 10 0 EJAERN COc1c(C)[nH]c2ccc3c(c2c1=O)CCCC=C3c1ccccc1 ZINC000000900257 291012502 /nfs/dbraw/zinc/01/25/02/291012502.db2.gz DNBWHNVLJOVDJI-UHFFFAOYSA-N 0 0 331.415 4.613 10 0 biogenic,in-vitro EJAERN Oc1ccc(-c2nc(-c3cccc(O)c3)[nH]c2-c2ccccc2)cc1 ZINC000001456328 209750567 /nfs/dbraw/zinc/75/05/67/209750567.db2.gz SQFVRIUSRBSVRO-UHFFFAOYSA-N 0 0 328.371 4.822 10 0 EJAERN COc1cccc([C@@H]2CCCN2Cc2nc(-c3ccoc3)oc2C)c1 ZINC000019795244 202020765 /nfs/dbraw/zinc/02/07/65/202020765.db2.gz FFRSNBPGOFNKMQ-IBGZPJMESA-N 0 0 338.407 4.589 10 0 EJAERN Oc1cc(N2CCN(c3ccccc3)CC2)c2ccccc2c1Cl ZINC000038536753 213213267 /nfs/dbraw/zinc/21/32/67/213213267.db2.gz WDSXDLJHCPVITI-UHFFFAOYSA-N 0 0 338.838 4.525 10 0 EJAERN COc1ccc(N(C)c2nc(Cl)nc3c(Cl)cccc32)cc1 ZINC000038342753 213207277 /nfs/dbraw/zinc/20/72/77/213207277.db2.gz MWIVTJPQNXNKGC-UHFFFAOYSA-N 0 0 334.206 4.713 10 0 EJAERN Cc1ccc(Sc2ncnc(Sc3ccc(C)cc3)c2N)cc1 ZINC000038237931 213206009 /nfs/dbraw/zinc/20/60/09/213206009.db2.gz WKTHEKUPTIHHAG-UHFFFAOYSA-N 0 0 339.489 4.978 10 0 EJAERN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccoc2)n1 ZINC000020110084 202032477 /nfs/dbraw/zinc/03/24/77/202032477.db2.gz VWTDXNWBDMTDRQ-JOCHJYFZSA-N 0 0 343.430 4.612 10 0 EJAERN CCn1c(CNc2cc(Br)ccc2C)nc2ccccc21 ZINC000038046829 202092150 /nfs/dbraw/zinc/09/21/50/202092150.db2.gz ASXWFTPPTXTPGK-UHFFFAOYSA-N 0 0 344.256 4.739 10 0 EJAERN CCn1c2ccccc2nc1CNc1cc(Br)ccc1F ZINC000038046784 202092524 /nfs/dbraw/zinc/09/25/24/202092524.db2.gz IZKSOLYOBQWAOI-UHFFFAOYSA-N 0 0 348.219 4.570 10 0 EJAERN C[C@H](Nc1ccccc1N(C)C)c1ccc(Br)s1 ZINC000038002963 213187846 /nfs/dbraw/zinc/18/78/46/213187846.db2.gz CMXZABFIZKJFHS-JTQLQIEISA-N 0 0 325.275 4.750 10 0 EJAERN Cc1ccc([C@H](C)N(C)C(=O)c2cccc(Br)c2)s1 ZINC000037845907 213170750 /nfs/dbraw/zinc/17/07/50/213170750.db2.gz NMZDOBQMGFGNGH-NSHDSACASA-N 0 0 338.270 4.652 10 0 EJAERN Cc1nn(C(C)C)c(C)c1NCc1cc(Br)cs1 ZINC000037787637 213167192 /nfs/dbraw/zinc/16/71/92/213167192.db2.gz FTQIWUHSSYRIJK-UHFFFAOYSA-N 0 0 328.279 4.517 10 0 EJAERN Brc1ccc(CNc2cccc(N3CCCC3)c2)s1 ZINC000037775027 213166285 /nfs/dbraw/zinc/16/62/85/213166285.db2.gz VRKMVXPDEQDNBD-UHFFFAOYSA-N 0 0 337.286 4.723 10 0 EJAERN Cc1ccc(NCc2nc3cc(Br)ccc3s2)cc1 ZINC000037605018 213159617 /nfs/dbraw/zinc/15/96/17/213159617.db2.gz RFUPVQMQTCKJPF-UHFFFAOYSA-N 0 0 333.254 4.979 10 0 EJAERN C[C@](O)(Cc1ccccc1Cl)c1ccccc1Br ZINC000037531041 213154666 /nfs/dbraw/zinc/15/46/66/213154666.db2.gz QAZLIFVHPLVSEY-HNNXBMFYSA-N 0 0 325.633 4.553 10 0 EJAERN C[C@](O)(Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000037530939 213154252 /nfs/dbraw/zinc/15/42/52/213154252.db2.gz SFUVQSJRGULFLO-HNNXBMFYSA-N 0 0 325.633 4.553 10 0 EJAERN Nc1ccc(CSc2ccc(F)cc2F)c(Br)c1 ZINC000037516240 213152803 /nfs/dbraw/zinc/15/28/03/213152803.db2.gz TYGJNHNEUZNYJS-UHFFFAOYSA-N 0 0 330.197 4.602 10 0 EJAERN Cc1ccccc1-c1c(N)onc1-c1ccc(Br)s1 ZINC000036936410 213125643 /nfs/dbraw/zinc/12/56/43/213125643.db2.gz KQNGPUBGGUSNED-UHFFFAOYSA-N 0 0 335.226 4.723 10 0 EJAERN COc1ccc(C(=O)c2ccc(Br)cc2C)cc1Cl ZINC000036829471 213120767 /nfs/dbraw/zinc/12/07/67/213120767.db2.gz JYEFVOOWVMSDRK-UHFFFAOYSA-N 0 0 339.616 4.651 10 0 EJAERN CC(C)(C)c1cc(Cl)nc(-c2cc(Br)cs2)n1 ZINC000036755866 213117224 /nfs/dbraw/zinc/11/72/24/213117224.db2.gz DLOMKJUMLHCXNL-UHFFFAOYSA-N 0 0 331.666 4.919 10 0 EJAERN Clc1cccc(COc2ccc(I)cc2)c1 ZINC000070130655 215676265 /nfs/dbraw/zinc/67/62/65/215676265.db2.gz GYNKJGPMFIUQTR-UHFFFAOYSA-N 0 0 344.579 4.524 10 0 EJAERN C[C@H](O)c1ccc(Oc2ccc(Br)cc2F)c(F)c1 ZINC000035632494 213044394 /nfs/dbraw/zinc/04/43/94/213044394.db2.gz GOLUQVUTLUIYLL-QMMMGPOBSA-N 0 0 329.140 4.573 10 0 EJAERN C[C@@H](O)c1ccc(Oc2ccc(Br)cc2F)c(F)c1 ZINC000035632495 213044158 /nfs/dbraw/zinc/04/41/58/213044158.db2.gz GOLUQVUTLUIYLL-MRVPVSSYSA-N 0 0 329.140 4.573 10 0 EJAERN Cc1cc(C)n(-c2cccc(-c3ccccc3-c3nnc(C)o3)c2)n1 ZINC000032593234 202227525 /nfs/dbraw/zinc/22/75/25/202227525.db2.gz KMECDTQRGQPCRJ-UHFFFAOYSA-N 0 0 330.391 4.515 10 0 EJAERN Cc1sc(NC(=O)/C=C\c2ccccc2)c(C(=O)OC(C)C)c1C ZINC000033314893 202257494 /nfs/dbraw/zinc/25/74/94/202257494.db2.gz IGVGVWMBKWFQRV-KHPPLWFESA-N 0 0 343.448 4.582 10 0 EJAERN C[C@H](Sc1ccc(F)cc1)C(=O)c1ccc(Br)cc1 ZINC000035181515 213013377 /nfs/dbraw/zinc/01/33/77/213013377.db2.gz ZFUAKGXRSCZQHX-JTQLQIEISA-N 0 0 339.229 4.952 10 0 EJAERN O=C(Cc1nc2ccccc2s1)c1ccc(Br)s1 ZINC000034940299 213002090 /nfs/dbraw/zinc/00/20/90/213002090.db2.gz SAHVQXWWQHSGNE-UHFFFAOYSA-N 0 0 338.251 4.546 10 0 EJAERN COc1ccc2c(c1)CCN(c1ccccc1)[C@H]2c1ccccc1OC ZINC000033638197 212958288 /nfs/dbraw/zinc/95/82/88/212958288.db2.gz GZKGIHUTMXMHBE-HSZRJFAPSA-N 0 0 345.442 4.856 10 0 EJAERN Cc1nc2ccc(NCc3ccccc3Br)cc2s1 ZINC000035044625 213004854 /nfs/dbraw/zinc/00/48/54/213004854.db2.gz JZOJEMAWBMVHDP-UHFFFAOYSA-N 0 0 333.254 4.979 10 0 EJAERN Cc1cc(-c2noc(/C=C\c3ccc(F)cc3)n2)c2ccccc2n1 ZINC000033561535 202266614 /nfs/dbraw/zinc/26/66/14/202266614.db2.gz XDKVPHJCNKRGDT-FLIBITNWSA-N 0 0 331.350 4.903 10 0 EJAERN Cc1ccc(/C=C\C(=O)Nc2nc(-c3ccc(F)cc3)cs2)o1 ZINC000034877010 202278749 /nfs/dbraw/zinc/27/87/49/202278749.db2.gz XOWINKCFJRLUGW-HJWRWDBZSA-N 0 0 328.368 4.503 10 0 EJAERN CC(C)Oc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2)cn1 ZINC000034839793 202279069 /nfs/dbraw/zinc/27/90/69/202279069.db2.gz KOVMKGOWTQOFJO-UHFFFAOYSA-N 0 0 346.430 4.716 10 0 EJAERN O=C(CSc1ccc(Br)cc1)c1c(F)cccc1F ZINC000034993886 202283810 /nfs/dbraw/zinc/28/38/10/202283810.db2.gz XGUDPMHRDXPQES-UHFFFAOYSA-N 0 0 343.192 4.702 10 0 EJAERN COc1ccccc1Nc1nc(-c2cccnc2)nc2sc(C)cc21 ZINC000072260837 216086244 /nfs/dbraw/zinc/08/62/44/216086244.db2.gz OHRYAEDDRYQEGO-UHFFFAOYSA-N 0 0 348.431 4.814 10 0 EJAERN Cc1nc([C@@H](C)Nc2cc(Br)ccc2F)c(C)s1 ZINC000036750596 213116003 /nfs/dbraw/zinc/11/60/03/213116003.db2.gz CBANCHHSHLDCFY-SSDOTTSWSA-N 0 0 329.238 4.835 10 0 EJAERN Cc1cccc(COc2c(N)cc(Cl)cc2Br)c1 ZINC000037288513 202339398 /nfs/dbraw/zinc/33/93/98/202339398.db2.gz RWHJIJHMJUMNGL-UHFFFAOYSA-N 0 0 326.621 4.572 10 0 EJAERN CCSc1ccccc1NC(=O)c1csc(Br)c1 ZINC000037790940 202364666 /nfs/dbraw/zinc/36/46/66/202364666.db2.gz OKXYYZAVKUACRE-UHFFFAOYSA-N 0 0 342.283 4.875 10 0 EJAERN CCCCCCn1c(CNC(=O)C2CCCCC2)nc2ccccc21 ZINC000040188415 202428399 /nfs/dbraw/zinc/42/83/99/202428399.db2.gz BKQSBDAELFLKAX-UHFFFAOYSA-N 0 0 341.499 4.813 10 0 EJAERN Cc1nc2sc(-c3ccccc3)c(Cc3ccccc3)c2c(=O)o1 ZINC000000192481 209475088 /nfs/dbraw/zinc/47/50/88/209475088.db2.gz KHQALAUQJSBIGD-UHFFFAOYSA-N 0 0 333.412 4.816 10 0 EJAERN Nc1cc(Br)ccc1-c1nc2cc(Cl)ccc2s1 ZINC000037742644 213164563 /nfs/dbraw/zinc/16/45/63/213164563.db2.gz KZYHNIAZHISCGP-UHFFFAOYSA-N 0 0 339.645 4.961 10 0 EJAERN Cc1cc2nc(-c3ccccc3)cc(N[C@@H](C)c3ccc(C)nc3)n2n1 ZINC000072419172 216207517 /nfs/dbraw/zinc/20/75/17/216207517.db2.gz NOOYUKNOPNMDJW-INIZCTEOSA-N 0 0 343.434 4.581 10 0 EJAERN CC[C@H](C)C(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC000013586457 201366603 /nfs/dbraw/zinc/36/66/03/201366603.db2.gz OWPSSUJQRJLQHE-HNNXBMFYSA-N 0 0 331.419 4.795 10 0 in-vivo EJAERN COc1ccc2c(c1)oc(=O)c(-c1ccccc1)c2-c1ccc(O)cc1 ZINC000001591098 201359445 /nfs/dbraw/zinc/35/94/45/201359445.db2.gz GCVBTSKNEVRIFZ-UHFFFAOYSA-N 0 0 344.366 4.841 10 0 EJAERN CCOC(=O)c1cnc2nc(C)ccc2c1N(CC)c1cccc(C)c1 ZINC000047157765 202577793 /nfs/dbraw/zinc/57/77/93/202577793.db2.gz DSBQKZBRJPJFBV-UHFFFAOYSA-N 0 0 349.434 4.581 10 0 EJAERN C[C@H](CC(=O)N[C@@H](C)c1ccccc1Br)c1ccccc1 ZINC000023525674 212381021 /nfs/dbraw/zinc/38/10/21/212381021.db2.gz SMUMXGBWYYKGAA-KGLIPLIRSA-N 0 0 346.268 4.820 10 0 EJAERN Cc1cc(C(=O)N2CCc3ccccc3[C@H]2c2ccc(C)cc2)c(C)o1 ZINC000023304030 212368051 /nfs/dbraw/zinc/36/80/51/212368051.db2.gz JAPNQVXNKUNRBA-JOCHJYFZSA-N 0 0 345.442 4.993 10 0 EJAERN O=C(c1ccccc1)N1CCc2ccccc2[C@@H]1c1ccccc1F ZINC000022671441 212316587 /nfs/dbraw/zinc/31/65/87/212316587.db2.gz BUTPHURYWHHSID-OAQYLSRUSA-N 0 0 331.390 4.614 10 0 EJAERN Cc1[nH]c2ccc(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)cc2c1C ZINC000022408806 212295823 /nfs/dbraw/zinc/29/58/23/212295823.db2.gz MKBKKQDPHNRXQX-UONOGXRCSA-N 0 0 338.373 4.636 10 0 EJAERN O=C(c1ccccc1)N1C=C(Cc2ccccc2)c2ccccc2C1 ZINC000211763746 241084381 /nfs/dbraw/zinc/08/43/81/241084381.db2.gz VPJOCKIPGRMYRB-UHFFFAOYSA-N 0 0 325.411 4.926 10 0 EJAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C2 ZINC000001038898 201497182 /nfs/dbraw/zinc/49/71/82/201497182.db2.gz BXPOLJAFDWDHFH-IFIJOSMWSA-N 0 0 325.374 4.650 10 0 EJAERN Clc1ccc(-c2nc3ncccn3c2NC2CCCCC2)cc1 ZINC000021631640 212234760 /nfs/dbraw/zinc/23/47/60/212234760.db2.gz QNUNOGKGXASLDG-UHFFFAOYSA-N 0 0 326.831 4.794 10 0 EJAERN Cc1ccsc1C(=O)Nc1cc(-c2nnc(C3CC3)o2)sc1C ZINC000065149348 202826063 /nfs/dbraw/zinc/82/60/63/202826063.db2.gz BYXOEECPDHXOKI-UHFFFAOYSA-N 0 0 345.449 4.606 10 0 EJAERN O=C(COc1ccc(F)c(Cl)c1)c1ccc(Br)cc1 ZINC000070132052 203074006 /nfs/dbraw/zinc/07/40/06/203074006.db2.gz QZYYCESKWWEFLC-UHFFFAOYSA-N 0 0 343.579 4.503 10 0 EJAERN Cc1ccccc1[C@H](C)Nc1ccccc1I ZINC000020479987 212135404 /nfs/dbraw/zinc/13/54/04/212135404.db2.gz LQDUDZLDVRUDCN-LBPRGKRZSA-N 0 0 337.204 4.773 10 0 EJAERN CCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000253610511 244036176 /nfs/dbraw/zinc/03/61/76/244036176.db2.gz XECLXJZDYKMJFL-OVNCRBCESA-N 0 0 344.495 4.840 10 0 EJAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2ccc(O)cc2)s1 ZINC000072260846 203185741 /nfs/dbraw/zinc/18/57/41/203185741.db2.gz KAPDVDBQQQBWAA-UHFFFAOYSA-N 0 0 334.404 4.511 10 0 EJAERN COc1ccc(Cl)cc1NCc1ccc(F)cc1Br ZINC000020003509 212093786 /nfs/dbraw/zinc/09/37/86/212093786.db2.gz LGBNTLWOIZVPQM-UHFFFAOYSA-N 0 0 344.611 4.862 10 0 EJAERN COc1ccc([C@H](C)Nc2cccc(Br)c2)c(OC)c1 ZINC000019941885 212088866 /nfs/dbraw/zinc/08/88/66/212088866.db2.gz SKABIIWDSIVTRW-NSHDSACASA-N 0 0 336.229 4.639 10 0 EJAERN Cc1cc(N[C@@H](C)c2ccc3c(c2)OCCO3)ccc1Br ZINC000019908131 212082596 /nfs/dbraw/zinc/08/25/96/212082596.db2.gz NKCGYSIJGMTCCD-LBPRGKRZSA-N 0 0 348.240 4.702 10 0 EJAERN Cc1cc(Br)ccc1N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000019905623 212081514 /nfs/dbraw/zinc/08/15/14/212081514.db2.gz KAENYQYAPYOMGM-GFCCVEGCSA-N 0 0 348.240 4.702 10 0 EJAERN Cc1ccc(N[C@@H](C)c2nc3ccccc3n2C)c(Br)c1 ZINC000019901665 212081201 /nfs/dbraw/zinc/08/12/01/212081201.db2.gz UXBHMCJOAZTGSD-LBPRGKRZSA-N 0 0 344.256 4.817 10 0 EJAERN Oc1ccc(CN2Cc3ccccc3O[C@H](c3ccccc3F)C2)cc1 ZINC000019742654 212060847 /nfs/dbraw/zinc/06/08/47/212060847.db2.gz MJXAAAREBDBFNQ-QFIPXVFZSA-N 0 0 349.405 4.667 10 0 EJAERN C[C@@H](OCCC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccco1 ZINC000095089506 203712262 /nfs/dbraw/zinc/71/22/62/203712262.db2.gz SQDPPQLQBDSNCD-HZPDHXFCSA-N 0 0 337.460 4.927 10 0 EJAERN O=Cc1ccc(Br)cc1Sc1ccc2c(c1)CCC2 ZINC000104290286 204105005 /nfs/dbraw/zinc/10/50/05/204105005.db2.gz ZVZUDEXBZNLWPG-UHFFFAOYSA-N 0 0 333.250 4.902 10 0 EJAERN Cc1ccc(OCC(=O)c2ccc(Cl)s2)c(Br)c1 ZINC000047821130 213870410 /nfs/dbraw/zinc/87/04/10/213870410.db2.gz FVTXBQVPEPINBA-UHFFFAOYSA-N 0 0 345.645 4.734 10 0 EJAERN CCOc1cc(Sc2ccccc2Br)c(N)cc1F ZINC000104137674 206485394 /nfs/dbraw/zinc/48/53/94/206485394.db2.gz HWENRCRZKIZZEW-UHFFFAOYSA-N 0 0 342.233 4.720 10 0 EJAERN Cc1c(C(=O)OC(C)C)sc2ncnc(Nc3cccc(C)c3)c12 ZINC000012084665 211288496 /nfs/dbraw/zinc/28/84/96/211288496.db2.gz ZWOIYDQXGBBFTB-UHFFFAOYSA-N 0 0 341.436 4.617 10 0 EJAERN CCOC(=O)c1sc2ncnc(Nc3cc(C)ccc3C)c2c1C ZINC000012084629 211288523 /nfs/dbraw/zinc/28/85/23/211288523.db2.gz XCVMIXMGMSGLNQ-UHFFFAOYSA-N 0 0 341.436 4.537 10 0 EJAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)c1ccc(Br)s1)C2 ZINC000095080892 218274876 /nfs/dbraw/zinc/27/48/76/218274876.db2.gz RKPMECWZFDVVMY-OSQNNJELSA-N 0 0 343.286 4.882 10 0 EJAERN CCCc1nc2ccccc2c(C(=O)N[C@@H](C)c2ccccn2)c1CC ZINC000009218034 211053711 /nfs/dbraw/zinc/05/37/11/211053711.db2.gz JYAOWPPKDIDXJP-HNNXBMFYSA-N 0 0 347.462 4.636 10 0 EJAERN C[C@@H](OCCC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000095089512 218279044 /nfs/dbraw/zinc/27/90/44/218279044.db2.gz YRJZONJXUMVYMZ-SJORKVTESA-N 0 0 348.487 4.729 10 0 EJAERN C[C@H](OCCC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc[nH]1 ZINC000095089501 218279092 /nfs/dbraw/zinc/27/90/92/218279092.db2.gz KHVCCZRWIMVEDB-JKSUJKDBSA-N 0 0 336.476 4.662 10 0 EJAERN C[C@H](OCCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccco1 ZINC000095089527 218279350 /nfs/dbraw/zinc/27/93/50/218279350.db2.gz VQDWILNORVNKIG-HOTGVXAUSA-N 0 0 337.460 4.785 10 0 EJAERN C[C@H](OCCC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000095089513 218279625 /nfs/dbraw/zinc/27/96/25/218279625.db2.gz YRJZONJXUMVYMZ-DLBZAZTESA-N 0 0 348.487 4.729 10 0 EJAERN Fc1ccccc1-c1nc2ccccc2n1CCOc1ccccc1 ZINC000008787401 211007369 /nfs/dbraw/zinc/00/73/69/211007369.db2.gz YOMVORIZJYXUTD-UHFFFAOYSA-N 0 0 332.378 4.921 10 0 EJAERN CC(=O)c1sc(-c2c(C)nc3ccccn32)nc1-c1ccccc1 ZINC000006651938 210670467 /nfs/dbraw/zinc/67/04/67/210670467.db2.gz MAWYCBQZYJSXMF-UHFFFAOYSA-N 0 0 333.416 4.636 10 0 EJAERN C[C@H](NC(=O)c1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000006335700 210619776 /nfs/dbraw/zinc/61/97/76/210619776.db2.gz RDTUEYVZHJXNFM-JTQLQIEISA-N 0 0 338.632 4.594 10 0 EJAERN CCCOC(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC ZINC000005597450 210497184 /nfs/dbraw/zinc/49/71/84/210497184.db2.gz NBVUFKVVWNFPSI-UHFFFAOYSA-N 0 0 333.409 4.550 10 0 EJAERN CC[C@H](Cc1ccccc1)NC(=O)c1cc2sc(Cl)cc2n1C ZINC000005036578 210371563 /nfs/dbraw/zinc/37/15/63/210371563.db2.gz PIEHJGJTZUZLND-CYBMUJFWSA-N 0 0 346.883 4.644 10 0 EJAERN C/C(=C/c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1)c1ccccc1F ZINC000299739950 258010515 /nfs/dbraw/zinc/01/05/15/258010515.db2.gz TZLLWXVVKXRMDR-KGZSOMBESA-N 0 0 330.403 4.688 10 0 EJAERN C[C@H]1CCc2cc(F)ccc2N1c1nc(Cl)c2c(n1)CCCC2 ZINC000057343455 135610968 /nfs/dbraw/zinc/61/09/68/135610968.db2.gz OVSRBNGXFZRHPY-NSHDSACASA-N 0 0 331.822 4.621 10 0 EJAERN Cc1cc2cc(-c3ccccc3)ccc2n1S(=O)(=O)c1ccccc1 ZINC000165204582 534083539 /nfs/dbraw/zinc/08/35/39/534083539.db2.gz ZMGQNVCBEPNTEQ-UHFFFAOYSA-N 0 0 347.439 4.854 10 0 EJAERN Oc1cnc2[nH]cc(-c3oncc3-c3cccc(Cl)c3Cl)c2c1 ZINC000165704881 534456788 /nfs/dbraw/zinc/45/67/88/534456788.db2.gz MNQGXAROJFJLFP-UHFFFAOYSA-N 0 0 346.173 4.897 10 0 EJAERN Cc1ccc2oc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cc2c1 ZINC000129157441 534536264 /nfs/dbraw/zinc/53/62/64/534536264.db2.gz FLKTUBGBNVBENH-STQMWFEESA-N 0 0 325.330 4.592 10 0 EJAERN Fc1ccc(-c2nc(C(F)(F)F)c(Br)s2)cc1 ZINC000616575825 564177340 /nfs/dbraw/zinc/17/73/40/564177340.db2.gz DOLMMNFAAWWESX-UHFFFAOYSA-N 0 0 326.112 4.731 10 0 EJAERN CC(C)c1ccc(NC(=S)N[C@@H]2C[C@H]3C[C@@H]2[C@@H]2C=CC[C@@H]32)cc1 ZINC000013465099 563698442 /nfs/dbraw/zinc/69/84/42/563698442.db2.gz PBMKSBCBTDGDDZ-RSRPTUBKSA-N 0 0 326.509 4.697 10 0 EJAERN CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)c1c(Cl)cccc1Cl)C2 ZINC000013467996 563698943 /nfs/dbraw/zinc/69/89/43/563698943.db2.gz BRTBKJYYKUTGHA-SIMVJXQJSA-N 0 0 326.267 4.938 10 0 EJAERN COc1ccc(CN(C[C@H]2CC=CCC2)C(=S)NC(C)(C)C)cc1 ZINC000017072180 563835726 /nfs/dbraw/zinc/83/57/26/563835726.db2.gz PKKWTYXLOOZCRN-INIZCTEOSA-N 0 0 346.540 4.527 10 0 EJAERN CNc1ncc(-c2ccc(Br)cc2)cc1C(F)(F)F ZINC000584881445 563879172 /nfs/dbraw/zinc/87/91/72/563879172.db2.gz ULGJAVNRLQZBLX-UHFFFAOYSA-N 0 0 331.135 4.572 10 0 EJAERN CCOC(=O)C1(Cc2ccccc2Br)CCCCC1 ZINC000085347998 563973781 /nfs/dbraw/zinc/97/37/81/563973781.db2.gz PSOGTOHFGDCQIH-UHFFFAOYSA-N 0 0 325.246 4.505 10 0 EJAERN CCCCOc1ccc(C(=O)CNc2nc3ccccc3s2)cc1 ZINC000048554711 564031869 /nfs/dbraw/zinc/03/18/69/564031869.db2.gz LJKAQCVGNABDQR-UHFFFAOYSA-N 0 0 340.448 4.770 10 0 EJAERN CC(C)c1ccc(Nc2nc(Cl)nc(NC3CCCC3)n2)cc1 ZINC000001023032 564054173 /nfs/dbraw/zinc/05/41/73/564054173.db2.gz PFKQAPBOFDREEI-UHFFFAOYSA-N 0 0 331.851 4.747 10 0 EJAERN CC(=O)O[C@@]1(C)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000000045178 564082399 /nfs/dbraw/zinc/08/23/99/564082399.db2.gz RLIONZRKXHAVFB-GVUKCBQMSA-N 0 0 344.495 4.840 10 0 EJAERN CCc1nc2cc(Br)c(Br)cc2c(C)c1C ZINC000669372565 564084051 /nfs/dbraw/zinc/08/40/51/564084051.db2.gz RYNVRDCDAOFGAM-UHFFFAOYSA-N 0 0 343.062 4.939 10 0 EJAERN Cc1c(C)c(C(C)C)nc2ccc(I)cc12 ZINC000669372537 564084052 /nfs/dbraw/zinc/08/40/52/564084052.db2.gz REEOULLRPIHOMO-UHFFFAOYSA-N 0 0 325.193 4.580 10 0 EJAERN Cc1c(C)c(C(C)C)nc2cc(I)ccc12 ZINC000669372230 564084059 /nfs/dbraw/zinc/08/40/59/564084059.db2.gz IYTNFTVIPSDCIP-UHFFFAOYSA-N 0 0 325.193 4.580 10 0 EJAERN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NCc1ccccc1 ZINC000048544720 564129331 /nfs/dbraw/zinc/12/93/31/564129331.db2.gz MJVKBCNSTWEODQ-ACCUITESSA-N 0 0 337.806 4.930 10 0 EJAERN COc1cccc(-c2nc(-c3ccc(OC4CCCC4)cc3)no2)c1 ZINC000096280722 564146365 /nfs/dbraw/zinc/14/63/65/564146365.db2.gz LMNMMYZXNBRHDR-UHFFFAOYSA-N 0 0 336.391 4.734 10 0 EJAERN Cc1ccc(-c2ocnc2C(=O)Nc2c(C)cc(C)cc2C)s1 ZINC000033049127 564176393 /nfs/dbraw/zinc/17/63/93/564176393.db2.gz UELSEFQNSXDLGQ-UHFFFAOYSA-N 0 0 326.421 4.889 10 0 EJAERN CCC(CC)CC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960531 564177121 /nfs/dbraw/zinc/17/71/21/564177121.db2.gz PFQJMLQNVPUTIA-UHFFFAOYSA-N 0 0 333.472 4.819 10 0 EJAERN Cc1ccc(Br)cc1Cc1sc(N)nc1C(C)C ZINC000050266691 214051689 /nfs/dbraw/zinc/05/16/89/214051689.db2.gz JPZXQSDWEBBMSI-UHFFFAOYSA-N 0 0 325.275 4.510 10 0 EJAERN Cc1cc(Br)ccc1Cc1sc(N)nc1C(C)C ZINC000050266672 214052049 /nfs/dbraw/zinc/05/20/49/214052049.db2.gz BCSHQKHFAALBKA-UHFFFAOYSA-N 0 0 325.275 4.510 10 0 EJAERN O[C@@H](Cc1ccc(F)cc1Cl)c1ccccc1Br ZINC000053786576 214198944 /nfs/dbraw/zinc/19/89/44/214198944.db2.gz FBDMQWUKRXSCHG-AWEZNQCLSA-N 0 0 329.596 4.518 10 0 EJAERN Cc1ccc(NC(=O)c2cncc(C(C)(C)C)c2)cc1Br ZINC000097758790 219054636 /nfs/dbraw/zinc/05/46/36/219054636.db2.gz GOZBAEZJQUOQFO-UHFFFAOYSA-N 0 0 347.256 4.702 10 0 EJAERN Cc1cc(Br)ccc1Oc1ccc([C@H](C)O)cc1F ZINC000063062117 214742587 /nfs/dbraw/zinc/74/25/87/214742587.db2.gz XUWLCIKWJQXLSZ-JTQLQIEISA-N 0 0 325.177 4.742 10 0 EJAERN Brc1cccc(-c2cn3c4ccccc4sc3n2)c1 ZINC000004645191 210237233 /nfs/dbraw/zinc/23/72/33/210237233.db2.gz IWWVVWGPGVKSRU-UHFFFAOYSA-N 0 0 329.222 4.979 10 0 EJAERN Cn1c2ccccc2c(=O)nc1/C(=C/c1ccccc1)c1ccccc1 ZINC000098180591 219086629 /nfs/dbraw/zinc/08/66/29/219086629.db2.gz RORSUTMLZHKZLV-CAPFRKAQSA-N 0 0 338.410 4.522 10 0 EJAERN Cc1cn(-c2cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)cn1 ZINC000098179742 219086675 /nfs/dbraw/zinc/08/66/75/219086675.db2.gz XSSQAAHBIVFYGC-UHFFFAOYSA-N 0 0 341.333 4.547 10 0 EJAERN c1coc(C/N=c2/scc(-c3ccccc3)n2-c2ccccc2)c1 ZINC000100052979 219088871 /nfs/dbraw/zinc/08/88/71/219088871.db2.gz AWOSEVVAGGVRBE-QZQOTICOSA-N 0 0 332.428 4.900 10 0 EJAERN O[C@@H](Cc1ccc(Cl)cc1)c1ccc(Br)c(F)c1 ZINC000062140754 214701908 /nfs/dbraw/zinc/70/19/08/214701908.db2.gz HVRRXWGNJSBSFC-AWEZNQCLSA-N 0 0 329.596 4.518 10 0 EJAERN O=C(Nc1nc2c(cc(F)cc2F)s1)C12CC3CC(CC(C3)C1)C2 ZINC000004427717 210191781 /nfs/dbraw/zinc/19/17/81/210191781.db2.gz RYYCSOXKZZFHGC-UHFFFAOYSA-N 0 0 348.418 4.729 10 0 EJAERN O=C(/C=C/c1ccccc1Cl)Nc1nc2c(cccc2F)s1 ZINC000004331571 210173127 /nfs/dbraw/zinc/17/31/27/210173127.db2.gz QAGQMOLNTNMDCU-CMDGGOBGSA-N 0 0 332.787 4.741 10 0 EJAERN CSc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cc1 ZINC000003814641 210076961 /nfs/dbraw/zinc/07/69/61/210076961.db2.gz JQDLRYPRLMZWFM-UHFFFAOYSA-N 0 0 344.501 4.907 10 0 EJAERN Cc1cc(F)ccc1C1=C(c2ccc(S(C)(=O)=O)cc2)CCC1 ZINC000003814642 210076822 /nfs/dbraw/zinc/07/68/22/210076822.db2.gz CHJMEHVGESAPSR-UHFFFAOYSA-N 0 0 330.424 4.632 10 0 EJAERN Cc1ccc(-c2nn(CCc3ccccc3)c(=O)c3ccccc32)cc1 ZINC000003672361 210073157 /nfs/dbraw/zinc/07/31/57/210073157.db2.gz UACXZLWEGRVDOV-UHFFFAOYSA-N 0 0 340.426 4.615 10 0 EJAERN Nc1ccc2nc(Nc3ccc(F)cc3Br)sc2c1 ZINC000103939058 219331534 /nfs/dbraw/zinc/33/15/34/219331534.db2.gz HPRPCXORNCRUTM-UHFFFAOYSA-N 0 0 338.205 4.524 10 0 EJAERN COc1ccc(Cl)cc1C(=O)Cc1ccccc1Br ZINC000103948103 219331897 /nfs/dbraw/zinc/33/18/97/219331897.db2.gz MSZFITOXNGOBFI-UHFFFAOYSA-N 0 0 339.616 4.537 10 0 EJAERN O=C(Cc1ccc(F)c(Br)c1)c1ccc(F)cc1Cl ZINC000103951369 219332343 /nfs/dbraw/zinc/33/23/43/219332343.db2.gz BDJHSWIYSOYLDF-UHFFFAOYSA-N 0 0 345.570 4.806 10 0 EJAERN Nc1ccc(COc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000103992882 219337119 /nfs/dbraw/zinc/33/71/19/219337119.db2.gz BRANZTKQALRZAP-UHFFFAOYSA-N 0 0 347.039 4.917 10 0 EJAERN COCc1c(Br)cccc1N[C@H](C)C1CCCCC1 ZINC000103992121 219337329 /nfs/dbraw/zinc/33/73/29/219337329.db2.gz MOESZSDMQDCCFF-GFCCVEGCSA-N 0 0 326.278 4.976 10 0 EJAERN Cc1cc(OCCNc2ccccc2Br)ccc1Cl ZINC000103996814 219337539 /nfs/dbraw/zinc/33/75/39/219337539.db2.gz IANPZZAAVZWJAJ-UHFFFAOYSA-N 0 0 340.648 4.902 10 0 EJAERN Cc1ccc(OCCNc2ccccc2Br)c(Cl)c1 ZINC000104007981 219337718 /nfs/dbraw/zinc/33/77/18/219337718.db2.gz INIQTSKWMMOFAJ-UHFFFAOYSA-N 0 0 340.648 4.902 10 0 EJAERN CNc1c2cc(Br)cc(Cl)c2nc2c1CCCCC2 ZINC000104013527 219339130 /nfs/dbraw/zinc/33/91/30/219339130.db2.gz SZERWDLDCPYVBL-UHFFFAOYSA-N 0 0 339.664 4.961 10 0 EJAERN Cc1ccc(C)c(CNc2ccccc2I)c1 ZINC000104032989 219341274 /nfs/dbraw/zinc/34/12/74/219341274.db2.gz JEGKPBFDCAOVOD-UHFFFAOYSA-N 0 0 337.204 4.520 10 0 EJAERN O[C@@H](c1ccc2c(c1)CCC2)c1cc(Br)ccc1Cl ZINC000104044309 219342881 /nfs/dbraw/zinc/34/28/81/219342881.db2.gz BLXYUIZSMRBQQF-INIZCTEOSA-N 0 0 337.644 4.673 10 0 EJAERN COc1cc(Cl)ccc1C(=O)Cc1ccc(Br)cc1 ZINC000104169347 219354724 /nfs/dbraw/zinc/35/47/24/219354724.db2.gz RIZVHWOEECXTGD-UHFFFAOYSA-N 0 0 339.616 4.537 10 0 EJAERN Cc1ccc(C)c(OCC(=O)Nc2ccnc3cc(Cl)ccc32)c1 ZINC000041057826 213411534 /nfs/dbraw/zinc/41/15/34/213411534.db2.gz KPCVZGMCMNXFCL-UHFFFAOYSA-N 0 0 340.810 4.523 10 0 EJAERN Cc1ccc(C[C@H](O)c2ccc(Br)cc2Cl)cc1 ZINC000104180286 219355348 /nfs/dbraw/zinc/35/53/48/219355348.db2.gz TXNCJSBVXOUGMN-HNNXBMFYSA-N 0 0 325.633 4.687 10 0 EJAERN CCCc1c(Cl)ncnc1Nc1ccc(Br)c(C)c1 ZINC000104206977 219361220 /nfs/dbraw/zinc/36/12/20/219361220.db2.gz JDGJBFLXNLSWFI-UHFFFAOYSA-N 0 0 340.652 4.897 10 0 EJAERN CCc1ccc(-c2csc(NC(=O)CC(C)C)c2C(=O)OC)cc1 ZINC000041017954 213408072 /nfs/dbraw/zinc/40/80/72/213408072.db2.gz RNLARCSZZRUTDH-UHFFFAOYSA-N 0 0 345.464 4.749 10 0 EJAERN CCOc1ccc(CCC(=O)Nc2c(C)cccc2CC)cc1OC ZINC000040999913 213407340 /nfs/dbraw/zinc/40/73/40/213407340.db2.gz KZEHGCDZOFCORM-UHFFFAOYSA-N 0 0 341.451 4.536 10 0 EJAERN CCCCOc1ccc(-c2cn3nc(CC(C)C)sc3n2)cc1 ZINC000040963874 213405032 /nfs/dbraw/zinc/40/50/32/213405032.db2.gz BBOUPKFYLSSEKI-UHFFFAOYSA-N 0 0 329.469 4.835 10 0 EJAERN CSc1ccc(OCCNc2ccc(Br)cc2)cc1 ZINC000104332575 219375424 /nfs/dbraw/zinc/37/54/24/219375424.db2.gz SAPMRGXHKHHYKO-UHFFFAOYSA-N 0 0 338.270 4.662 10 0 EJAERN Cc1cc(OCCCC(=O)Nc2ccccc2F)cc(C)c1Cl ZINC000040912624 213399496 /nfs/dbraw/zinc/39/94/96/213399496.db2.gz TWCLNLHHURWTHE-UHFFFAOYSA-N 0 0 335.806 4.894 10 0 EJAERN COc1ccccc1OCCCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000040882419 213397336 /nfs/dbraw/zinc/39/73/36/213397336.db2.gz KBSQLLOUQRSAKJ-UHFFFAOYSA-N 0 0 347.842 4.763 10 0 EJAERN Cc1ccc(Oc2ncnc(Nc3ccccc3Cl)c2N)cc1C ZINC000040781373 213386036 /nfs/dbraw/zinc/38/60/36/213386036.db2.gz BXVBOEWIYQCRLH-UHFFFAOYSA-N 0 0 340.814 4.865 10 0 EJAERN Nc1c(Nc2ccccc2)ncnc1Nc1cc(Cl)ccc1Cl ZINC000040778130 213386115 /nfs/dbraw/zinc/38/61/15/213386115.db2.gz DWTJDESNPWKVSA-UHFFFAOYSA-N 0 0 346.221 4.853 10 0 EJAERN Nc1c(Nc2ccccc2Cl)ncnc1NC1CCCCCC1 ZINC000040781360 213385742 /nfs/dbraw/zinc/38/57/42/213385742.db2.gz PKMYPAOGPCOFHW-UHFFFAOYSA-N 0 0 331.851 4.591 10 0 EJAERN Nc1c(Nc2cccc(Cl)c2Cl)ncnc1Oc1ccccc1 ZINC000040778705 213385562 /nfs/dbraw/zinc/38/55/62/213385562.db2.gz JDLZJOFWFICLRR-UHFFFAOYSA-N 0 0 347.205 4.902 10 0 EJAERN Cc1ccc(Sc2ncnc(Nc3ccc(F)c(F)c3)c2N)cc1 ZINC000040783426 213386908 /nfs/dbraw/zinc/38/69/08/213386908.db2.gz JXDCAMDHNQJZBG-UHFFFAOYSA-N 0 0 344.390 4.540 10 0 EJAERN Cc1ccc(Nc2ncnc(Nc3ccc(F)c(Cl)c3)c2N)cc1 ZINC000040782075 213386512 /nfs/dbraw/zinc/38/65/12/213386512.db2.gz JGAOTXJRHYMBER-UHFFFAOYSA-N 0 0 343.793 4.647 10 0 EJAERN Cc1ccc(C)c(Nc2ncnc(Nc3ccccc3Cl)c2N)c1 ZINC000040704538 213372398 /nfs/dbraw/zinc/37/23/98/213372398.db2.gz BRIMLFSTMZJOKU-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN CC(C)c1ccc(Nc2ncnc(Nc3ccccc3F)c2N)cc1 ZINC000040706099 213371221 /nfs/dbraw/zinc/37/12/21/213371221.db2.gz YEBNPFGMGZNLBA-UHFFFAOYSA-N 0 0 337.402 4.809 10 0 EJAERN Cc1ccc(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)cc1C ZINC000040702875 213371297 /nfs/dbraw/zinc/37/12/97/213371297.db2.gz JEFXOIJMFTYENA-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN Cc1ccc(Cl)cc1Nc1ncnc(N(C)c2ccccc2)c1N ZINC000040704882 213372211 /nfs/dbraw/zinc/37/22/11/213372211.db2.gz ZPFFSMONZAOSNK-UHFFFAOYSA-N 0 0 339.830 4.532 10 0 EJAERN Cc1cc(C)cc(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)c1 ZINC000040682009 213367793 /nfs/dbraw/zinc/36/77/93/213367793.db2.gz HMCMWRCKQVHEFR-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN Nc1c(NCc2ccccc2)ncnc1Oc1cccc2ccccc21 ZINC000040682998 213368598 /nfs/dbraw/zinc/36/85/98/213368598.db2.gz IESYKDXDMATGTK-UHFFFAOYSA-N 0 0 342.402 4.616 10 0 EJAERN Cc1cc(C)cc(Nc2ncnc(Oc3ccc(C)c(C)c3)c2N)c1 ZINC000040682260 213368349 /nfs/dbraw/zinc/36/83/49/213368349.db2.gz LLTZGABWDRTNOJ-UHFFFAOYSA-N 0 0 334.423 4.828 10 0 EJAERN Cc1cc(C)cc(Nc2ncnc(NC3CCCCCC3)c2N)c1 ZINC000040682223 213368410 /nfs/dbraw/zinc/36/84/10/213368410.db2.gz FWBRMIHBYJYNLB-UHFFFAOYSA-N 0 0 325.460 4.554 10 0 EJAERN COc1cc2c(cc1CC=C(C)C)[C@H]1Oc3cc(O)ccc3[C@@H]1CO2 ZINC000001858795 209800045 /nfs/dbraw/zinc/80/00/45/209800045.db2.gz FZFGGNNUYSILSL-LAUBAEHRSA-N 0 0 338.403 4.519 10 0 endogenous,in-man EJAERN CCOCCCn1c(COc2ccccc2)nc2ccc(Cl)cc21 ZINC000040403364 213298695 /nfs/dbraw/zinc/29/86/95/213298695.db2.gz FQRRZOBNQUZNGQ-UHFFFAOYSA-N 0 0 344.842 4.695 10 0 EJAERN COc1cc(C(=O)Nc2ccnc3c(C)c(Cl)ccc23)ccc1C ZINC000040359231 213293331 /nfs/dbraw/zinc/29/33/31/213293331.db2.gz ZGWXPBJFTLKUQS-UHFFFAOYSA-N 0 0 340.810 4.766 10 0 EJAERN Cc1ccccc1-c1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C ZINC000040239559 213284759 /nfs/dbraw/zinc/28/47/59/213284759.db2.gz GNDJJBIWUYRTNF-UHFFFAOYSA-N 0 0 349.478 4.657 10 0 EJAERN COc1ccc(-c2nc3ccccc3n2CC(=O)c2ccccc2)cc1 ZINC000040249812 213284875 /nfs/dbraw/zinc/28/48/75/213284875.db2.gz YUWYUSAFMZGKKD-UHFFFAOYSA-N 0 0 342.398 4.595 10 0 EJAERN CC(C)(C)C(=O)NCc1nc2ccccc2n1CCC1CCCCC1 ZINC000040190258 213280655 /nfs/dbraw/zinc/28/06/55/213280655.db2.gz FSMYQISBOMJZJC-UHFFFAOYSA-N 0 0 341.499 4.669 10 0 EJAERN C[C@@H]1C[C@H](OCc2ccc(N)cc2Br)CC(C)(C)C1 ZINC000037516170 202000484 /nfs/dbraw/zinc/00/04/84/202000484.db2.gz FROBCPNNETWZNA-RISCZKNCSA-N 0 0 326.278 4.763 10 0 EJAERN Cc1cc(OCc2ccc(N)cc2Br)cc(C)c1Cl ZINC000037516197 202001728 /nfs/dbraw/zinc/00/17/28/202001728.db2.gz VMRNRYGAINDPKI-UHFFFAOYSA-N 0 0 340.648 4.881 10 0 EJAERN CCn1c(CNc2ccc(C)cc2Br)nc2ccccc21 ZINC000038046568 213196712 /nfs/dbraw/zinc/19/67/12/213196712.db2.gz LJKMQJVAJLJPAV-UHFFFAOYSA-N 0 0 344.256 4.739 10 0 EJAERN Cc1cccc(C)c1Nc1c2[nH]cccc-2c(=O)n1Cc1cccs1 ZINC000020319511 202037627 /nfs/dbraw/zinc/03/76/27/202037627.db2.gz JVXBJGWSJBRLQB-LJQANCHMSA-N 0 0 349.459 4.527 10 0 EJAERN CCc1nc2cc(NCc3csc(Br)c3)ccc2o1 ZINC000037786127 202038210 /nfs/dbraw/zinc/03/82/10/202038210.db2.gz SPTILQRKWZZTDC-UHFFFAOYSA-N 0 0 337.242 4.826 10 0 EJAERN CC(=O)c1c(F)cccc1Oc1ccc(Br)cc1F ZINC000020358806 202039115 /nfs/dbraw/zinc/03/91/15/202039115.db2.gz OQCBMZQUWBAQKJ-UHFFFAOYSA-N 0 0 327.124 4.722 10 0 EJAERN O=C(c1cccc(F)c1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000023307595 202101232 /nfs/dbraw/zinc/10/12/32/202101232.db2.gz CAFHLSITGICQOH-NRFANRHFSA-N 0 0 349.380 4.753 10 0 EJAERN Cc1cccc(N2C(=O)S/C(=C/C=C/c3ccco3)C2=O)c1C ZINC000027230286 202153328 /nfs/dbraw/zinc/15/33/28/202153328.db2.gz XDFQYAYLGOSOFN-LVVPDBGKSA-N 0 0 325.389 4.694 10 0 EJAERN C[C@](O)(Cc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000037530820 213154276 /nfs/dbraw/zinc/15/42/76/213154276.db2.gz QIEIWEFDROCLJX-HNNXBMFYSA-N 0 0 325.633 4.553 10 0 EJAERN COc1ccc(C(=O)c2cc(Br)ccc2Cl)cc1C ZINC000037289019 213139028 /nfs/dbraw/zinc/13/90/28/213139028.db2.gz FUSLSLMNWWWTHD-UHFFFAOYSA-N 0 0 339.616 4.651 10 0 EJAERN O=C(c1cc(Br)sc1Br)c1ccccc1 ZINC000037379788 213143138 /nfs/dbraw/zinc/14/31/38/213143138.db2.gz BOIXWVVISSFVGS-UHFFFAOYSA-N 0 0 346.043 4.504 10 0 EJAERN Cc1nc(NC(=O)C2CC2)sc1Cc1cc(Cl)ccc1Cl ZINC000036639376 213106022 /nfs/dbraw/zinc/10/60/22/213106022.db2.gz ORZHHNIUUUCMLW-UHFFFAOYSA-N 0 0 341.263 4.698 10 0 EJAERN CCCN(Cc1cc(-c2cc(C)ccc2C)on1)C(=O)c1ccco1 ZINC000036005634 213055623 /nfs/dbraw/zinc/05/56/23/213055623.db2.gz PDQQNNFHQWSFDA-UHFFFAOYSA-N 0 0 338.407 4.604 10 0 EJAERN CC(C)N(Cc1cc(-c2cccs2)on1)C(=O)c1cccs1 ZINC000036006756 213055442 /nfs/dbraw/zinc/05/54/42/213055442.db2.gz VQUILJUIOATVFW-UHFFFAOYSA-N 0 0 332.450 4.515 10 0 EJAERN CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000035949795 213053365 /nfs/dbraw/zinc/05/33/65/213053365.db2.gz PZVJDNBQZSXVIE-UHFFFAOYSA-N 0 0 334.463 4.780 10 0 EJAERN COc1ccc(Br)cc1CNc1cc(Cl)ccc1F ZINC000035083765 213006852 /nfs/dbraw/zinc/00/68/52/213006852.db2.gz QBOXZQAZJWTBMP-UHFFFAOYSA-N 0 0 344.611 4.862 10 0 EJAERN Cc1ccc(C2=NN(c3ccc(C)cc3)N(c3ccc(C)cc3)N2)cc1 ZINC000071790980 215826779 /nfs/dbraw/zinc/82/67/79/215826779.db2.gz RUGQYBIIYLXHGD-UHFFFAOYSA-N 0 0 342.446 4.720 10 0 EJAERN CSc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000000423955 209587581 /nfs/dbraw/zinc/58/75/81/209587581.db2.gz GXLJJUXLRPAEAN-MRXNPFEDSA-N 0 0 335.881 4.841 10 0 EJAERN C[C@H]1[C@@H](c2ccccc2)O[C@@H](c2ccccc2Br)N1C ZINC000032601436 212815121 /nfs/dbraw/zinc/81/51/21/212815121.db2.gz WNARGBYRCRAZDF-ZLIFDBKOSA-N 0 0 332.241 4.540 10 0 EJAERN CCOC(=O)c1ccc(Nc2ccnc3ccc(OCC)cc32)cc1 ZINC000072237223 216076641 /nfs/dbraw/zinc/07/66/41/216076641.db2.gz IQMHNRGIIUKSKB-UHFFFAOYSA-N 0 0 336.391 4.554 10 0 EJAERN Cc1ccc(SCc2cc(F)ccc2Br)c(N)c1 ZINC000037192710 202337620 /nfs/dbraw/zinc/33/76/20/202337620.db2.gz DNQPRFWHAOWJPL-UHFFFAOYSA-N 0 0 326.234 4.771 10 0 EJAERN Nc1cc(Br)ccc1SCc1ccc(Cl)cc1 ZINC000037205847 202338116 /nfs/dbraw/zinc/33/81/16/202338116.db2.gz MMZAUVBZEMDPQB-UHFFFAOYSA-N 0 0 328.662 4.977 10 0 EJAERN Cc1cc2c(nc(-c3cccnc3)nc2NCc2ccccc2)s1 ZINC000072260806 216085636 /nfs/dbraw/zinc/08/56/36/216085636.db2.gz ZKFZOCWLNMGZNP-UHFFFAOYSA-N 0 0 332.432 4.674 10 0 EJAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2ccccc2F)s1 ZINC000072260839 216085688 /nfs/dbraw/zinc/08/56/88/216085688.db2.gz ITTGGBSKHRGRMC-UHFFFAOYSA-N 0 0 336.395 4.944 10 0 EJAERN Nc1ccccc1Oc1nc(Cl)nc2cc(-c3ccccc3)[nH]c21 ZINC000073737457 202367507 /nfs/dbraw/zinc/36/75/07/202367507.db2.gz MCKOBSGRUQWZLY-UHFFFAOYSA-N 0 0 336.782 4.653 10 0 EJAERN Cc1ccc(Nc2ncnc(Nc3ccc(C)cc3C)c2N)c(C)c1 ZINC000040755312 202463284 /nfs/dbraw/zinc/46/32/84/202463284.db2.gz GNZNFSAARLAPLN-UHFFFAOYSA-N 0 0 333.439 4.780 10 0 EJAERN O=C(Nc1ccccc1Oc1ccccc1)C(Cl)(Cl)Cl ZINC000000265050 209511189 /nfs/dbraw/zinc/51/11/89/209511189.db2.gz FAJCXWRPKXATDW-UHFFFAOYSA-N 0 0 330.598 4.788 10 0 EJAERN COc1ccc(-c2nc3cc(C)ccc3o2)cc1NC(=O)c1ccco1 ZINC000000191020 209474543 /nfs/dbraw/zinc/47/45/43/209474543.db2.gz DNBQHLDNLMLOMJ-UHFFFAOYSA-N 0 0 348.358 4.657 10 0 EJAERN Brc1cc(CNc2cccc(N3CCCC3)c2)cs1 ZINC000037775173 213165750 /nfs/dbraw/zinc/16/57/50/213165750.db2.gz WPPMKDQWWHUVLL-UHFFFAOYSA-N 0 0 337.286 4.723 10 0 EJAERN Cc1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 ZINC000072481852 216261361 /nfs/dbraw/zinc/26/13/61/216261361.db2.gz KBLZLGAKNSOLME-UHFFFAOYSA-N 0 0 333.387 4.627 10 0 EJAERN FC(F)(F)c1ccc(-c2nc(Cl)cc(-c3ccccn3)n2)cc1 ZINC000073695389 216413305 /nfs/dbraw/zinc/41/33/05/216413305.db2.gz ZNZCEDWTUKJLHP-UHFFFAOYSA-N 0 0 335.716 4.878 10 0 EJAERN O=C(c1cccc(F)c1)N1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000023307598 212367853 /nfs/dbraw/zinc/36/78/53/212367853.db2.gz CAFHLSITGICQOH-OAQYLSRUSA-N 0 0 349.380 4.753 10 0 EJAERN Cc1[nH]c2ccc(C(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)cc2c1C ZINC000022408803 212295649 /nfs/dbraw/zinc/29/56/49/212295649.db2.gz MKBKKQDPHNRXQX-KGLIPLIRSA-N 0 0 338.373 4.636 10 0 EJAERN OCc1cccc2nc(-c3ccc(OCc4ccccc4)cc3)oc21 ZINC000211735839 241084585 /nfs/dbraw/zinc/08/45/85/241084585.db2.gz QNVWEWFTGXVMTJ-UHFFFAOYSA-N 0 0 331.371 4.566 10 0 EJAERN O=c1[nH]c2cc(Br)ccc2c(-c2ccccc2)c1Cl ZINC000211841165 241085613 /nfs/dbraw/zinc/08/56/13/241085613.db2.gz UOOPIVQNMBJMLI-UHFFFAOYSA-N 0 0 334.600 4.611 10 0 EJAERN Cc1ccc(-c2c(I)c3ccccc3n2C)cc1 ZINC000021995060 212269088 /nfs/dbraw/zinc/26/90/88/212269088.db2.gz SFTSUJMQXFMWSM-UHFFFAOYSA-N 0 0 347.199 4.758 10 0 EJAERN O=S(=O)(c1ccccc1)n1cc(-c2ccccc2)c2ccccc21 ZINC000022001205 212268803 /nfs/dbraw/zinc/26/88/03/212268803.db2.gz IGXNNNXVKQSHAC-UHFFFAOYSA-N 0 0 333.412 4.545 10 0 EJAERN COc1ccc2c(c1)N=C(c1ccc(C)o1)NC(c1cccs1)=N2 ZINC000021169541 212214214 /nfs/dbraw/zinc/21/42/14/212214214.db2.gz GZAIDVYSKBVTAG-UHFFFAOYSA-N 0 0 337.404 4.609 10 0 EJAERN CC(C)[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1cccs1 ZINC000021040131 212202216 /nfs/dbraw/zinc/20/22/16/212202216.db2.gz ZPMRHYCIRDDGON-ZDUSSCGKSA-N 0 0 329.252 4.577 10 0 EJAERN Cc1ccc(CNC(=O)c2cc3c(s2)-c2cc(C)sc2CC3)o1 ZINC000021043624 212202231 /nfs/dbraw/zinc/20/22/31/212202231.db2.gz WLWPDFZTMGOENC-UHFFFAOYSA-N 0 0 343.473 4.715 10 0 EJAERN N=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ccccc1F ZINC000005636857 201657969 /nfs/dbraw/zinc/65/79/69/201657969.db2.gz NOBDODTYPCIJDS-RBCZPYDQSA-N 0 0 332.787 4.535 10 0 EJAERN O=C1S/C(=C\c2ccccc2Cl)C(=O)N1Cc1ccccc1 ZINC000020522418 212143947 /nfs/dbraw/zinc/14/39/47/212143947.db2.gz NPIXDCQKFNNIPZ-GDNBJRDFSA-N 0 0 329.808 4.577 10 0 EJAERN COCOC(C)(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C ZINC000069592725 203023481 /nfs/dbraw/zinc/02/34/81/203023481.db2.gz LBHSVFGWJHBJHG-BXBFZTKMSA-N 0 0 338.532 4.791 10 0 EJAERN C[C@H](CNc1ccc(I)cc1)c1ccccc1 ZINC000020477216 212135943 /nfs/dbraw/zinc/13/59/43/212135943.db2.gz RFUKEUNDTFNTHI-GFCCVEGCSA-N 0 0 337.204 4.507 10 0 EJAERN C[C@@H](Nc1ccccc1I)c1cccs1 ZINC000020480083 212135420 /nfs/dbraw/zinc/13/54/20/212135420.db2.gz GDBATGROCRLVCV-SECBINFHSA-N 0 0 329.206 4.526 10 0 EJAERN C[C@@H](Nc1ccccc1I)c1ccc(F)cc1 ZINC000020307020 212117785 /nfs/dbraw/zinc/11/77/85/212117785.db2.gz LLQVLIVISVYAJM-SNVBAGLBSA-N 0 0 341.167 4.603 10 0 EJAERN CCc1nn2c(ncc3c2CCCCC3)c1-c1ccc(Cl)cc1 ZINC000072451692 203227478 /nfs/dbraw/zinc/22/74/78/203227478.db2.gz MOTLJCFAJWFLBH-UHFFFAOYSA-N 0 0 325.843 4.881 10 0 EJAERN O=C(Nc1cccc(Br)c1)c1ccc2ccccc2c1O ZINC000019998814 212093925 /nfs/dbraw/zinc/09/39/25/212093925.db2.gz ZNSYVAWEATZUHA-UHFFFAOYSA-N 0 0 342.192 4.560 10 0 EJAERN COc1ccc(Cl)cc1NCc1ccc(F)c(Br)c1 ZINC000020018389 212093614 /nfs/dbraw/zinc/09/36/14/212093614.db2.gz FUFHEFIZHDNJNO-UHFFFAOYSA-N 0 0 344.611 4.862 10 0 EJAERN Cc1nc(C)c([C@H](C)NCc2cc(F)ccc2Br)s1 ZINC000040518813 203314802 /nfs/dbraw/zinc/31/48/02/203314802.db2.gz XXFYOIPKVJYLJE-QMMMGPOBSA-N 0 0 343.265 4.512 10 0 EJAERN COc1ccc(OC)c([C@H](C)Nc2ccc(Br)cc2)c1 ZINC000019923157 212084986 /nfs/dbraw/zinc/08/49/86/212084986.db2.gz SLDINIBSGFAEPC-NSHDSACASA-N 0 0 336.229 4.639 10 0 EJAERN COc1cc([C@H](C)Nc2ccc(Br)cc2C)ccc1O ZINC000019905634 212081811 /nfs/dbraw/zinc/08/18/11/212081811.db2.gz DCRMPAQRKOLTOY-NSHDSACASA-N 0 0 336.229 4.645 10 0 EJAERN Cc1ccc(N[C@H](C)c2ccc3c(c2)OCO3)c(Br)c1 ZINC000019901637 212080542 /nfs/dbraw/zinc/08/05/42/212080542.db2.gz SFHOVTYHOVFPMH-LLVKDONJSA-N 0 0 334.213 4.659 10 0 EJAERN Nc1cc(Br)ccc1Sc1ccc(C(F)(F)F)cn1 ZINC000019845577 212075055 /nfs/dbraw/zinc/07/50/55/212075055.db2.gz ILSFSEJAPIMJKZ-UHFFFAOYSA-N 0 0 349.175 4.596 10 0 EJAERN COc1ccc2nc3c(cc2c1)c(C(F)(F)F)nn3-c1ccccc1 ZINC000095930751 203769183 /nfs/dbraw/zinc/76/91/83/203769183.db2.gz FSIKIUNZMQWUCL-UHFFFAOYSA-N 0 0 343.308 4.601 10 0 EJAERN CC(C)Cc1ccc([C@H](O)c2sccc2Br)cc1 ZINC000104284519 204103995 /nfs/dbraw/zinc/10/39/95/204103995.db2.gz FPUXRWZKZAFEAC-AWEZNQCLSA-N 0 0 325.271 4.791 10 0 EJAERN Clc1ccc(OCCNc2ccc(Br)cc2)cc1 ZINC000110236552 204306213 /nfs/dbraw/zinc/30/62/13/204306213.db2.gz RRMWIDOLJNGMQF-UHFFFAOYSA-N 0 0 326.621 4.593 10 0 EJAERN C[C@H](Nc1c(N)cccc1Cl)c1cccc(Br)c1 ZINC000049564155 214020220 /nfs/dbraw/zinc/02/02/20/214020220.db2.gz SSGAEIACXNUDRY-VIFPVBQESA-N 0 0 325.637 4.858 10 0 EJAERN C[C@H](Nc1ccc(Cl)cc1N)c1ccc(Br)cc1 ZINC000049525239 214014533 /nfs/dbraw/zinc/01/45/33/214014533.db2.gz RUQPFBVZPGTSND-VIFPVBQESA-N 0 0 325.637 4.858 10 0 EJAERN Cc1ccc(C(=O)[C@H](C)Sc2ncccc2Br)cc1 ZINC000078772516 217117567 /nfs/dbraw/zinc/11/75/67/217117567.db2.gz VWDRFEVYFCEOOV-NSHDSACASA-N 0 0 336.254 4.516 10 0 EJAERN C[C@@H](NC(=O)c1ccc(Br)s1)c1cccc(Cl)c1 ZINC000016018160 211876794 /nfs/dbraw/zinc/87/67/94/211876794.db2.gz AVFVEWGGUZHGKD-MRVPVSSYSA-N 0 0 344.661 4.655 10 0 EJAERN Cc1cccc(/C=C/C(=O)Nc2ccc(C)cc2Br)c1 ZINC000015737869 211848507 /nfs/dbraw/zinc/84/85/07/211848507.db2.gz XADNEIYPRUJEQM-VQHVLOKHSA-N 0 0 330.225 4.718 10 0 EJAERN Cc1ccc2oc(C(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)cc2c1 ZINC000129157930 205181994 /nfs/dbraw/zinc/18/19/94/205181994.db2.gz FLKTUBGBNVBENH-OLZOCXBDSA-N 0 0 325.330 4.592 10 0 EJAERN CCc1c(Cl)nc(-c2ccccc2Br)nc1Cl ZINC000111237098 220120700 /nfs/dbraw/zinc/12/07/00/220120700.db2.gz PCGJZKNAZFKLFP-UHFFFAOYSA-N 0 0 332.028 4.775 10 0 EJAERN Cc1ccccc1CNc1nncc(-c2cccc3ccccc32)n1 ZINC000015079575 211800502 /nfs/dbraw/zinc/80/05/02/211800502.db2.gz QVFSXTGDWIKAFU-UHFFFAOYSA-N 0 0 326.403 4.612 10 0 EJAERN COc1cc2nc(Cl)c(-c3ccccc3)cc2c(OC)c1OC ZINC000014944891 211773928 /nfs/dbraw/zinc/77/39/28/211773928.db2.gz GHKHNSLJHMVOEJ-UHFFFAOYSA-N 0 0 329.783 4.581 10 0 EJAERN CC[C@H](Sc1nc2cc(C)ccc2[nH]1)C(=O)Nc1ccc(F)cc1 ZINC000010391357 211170525 /nfs/dbraw/zinc/17/05/25/211170525.db2.gz SCNPAMKTUBHKQJ-INIZCTEOSA-N 0 0 343.427 4.520 10 0 EJAERN CN(C)c1ccc(-c2nc3ncccn3c2NC2CCCCCC2)cc1 ZINC000009726964 211119437 /nfs/dbraw/zinc/11/94/37/211119437.db2.gz BBKQBUQYACJGMZ-UHFFFAOYSA-N 0 0 349.482 4.597 10 0 EJAERN C[C@H](OCCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccco1 ZINC000095089529 218279179 /nfs/dbraw/zinc/27/91/79/218279179.db2.gz VQDWILNORVNKIG-JKSUJKDBSA-N 0 0 337.460 4.785 10 0 EJAERN CC(=O)c1cc2c(cc1C)OC(c1ccccc1)(c1ccccc1)O2 ZINC000095930061 218450700 /nfs/dbraw/zinc/45/07/00/218450700.db2.gz NATLCNISSJRYHH-UHFFFAOYSA-N 0 0 330.383 4.870 10 0 EJAERN O=[S@]1c2ccccc2SN1Cc1ccc(Cl)cc1Cl ZINC000006583376 210658755 /nfs/dbraw/zinc/65/87/55/210658755.db2.gz ASCPQMHZFUALIG-LJQANCHMSA-N 0 0 330.261 4.539 10 0 EJAERN O=[S@]1c2ccccc2SN1C(c1ccccc1)c1ccccc1 ZINC000006578927 210656635 /nfs/dbraw/zinc/65/66/35/210656635.db2.gz JJKCNFOMDYVOON-HSZRJFAPSA-N 0 0 337.469 4.822 10 0 EJAERN O[C@H](Cc1ccccc1)c1ccc2ccccc2c1Br ZINC000504767253 257704088 /nfs/dbraw/zinc/70/40/88/257704088.db2.gz QRLHEIATAKMVLN-QGZVFWFLSA-N 0 0 327.221 4.878 10 0 EJAERN Fc1ccc(SCc2nnn(C3CC3)c2-c2ccc(F)cc2)cc1 ZINC000334161897 258015983 /nfs/dbraw/zinc/01/59/83/258015983.db2.gz GVWAJUPOOUTXJG-UHFFFAOYSA-N 0 0 343.402 4.851 10 0 EJAERN CCC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1O ZINC000169344751 528467881 /nfs/dbraw/zinc/46/78/81/528467881.db2.gz GOFSKOKAVDEPME-UHFFFAOYSA-N 0 0 325.191 4.871 10 0 EJAERN Fc1cccc(Cl)c1CSc1nnc(-c2ccncc2)s1 ZINC000000130914 563238321 /nfs/dbraw/zinc/23/83/21/563238321.db2.gz VOQKPSACRHGKJV-UHFFFAOYSA-N 0 0 337.832 4.685 10 0 EJAERN COc1cc2ccccc2cc1C(=O)Oc1cccc2ccc(C)nc21 ZINC000000181525 563987914 /nfs/dbraw/zinc/98/79/14/563987914.db2.gz SDYUIHYYDHJAEO-UHFFFAOYSA-N 0 0 343.382 4.924 10 0 EJAERN O[C@@H](CNc1ccccc1)CN1c2ccccc2Sc2ccccc21 ZINC000000571497 564023724 /nfs/dbraw/zinc/02/37/24/564023724.db2.gz BNHYWCUSPGVKHK-KRWDZBQOSA-N 0 0 348.471 4.762 10 0 EJAERN COc1cc(Cl)ccc1NC(=O)Oc1cccc2ccc(C)nc21 ZINC000048523974 564031789 /nfs/dbraw/zinc/03/17/89/564031789.db2.gz DWLNKOPCBSGQRN-UHFFFAOYSA-N 0 0 342.782 4.816 10 0 EJAERN CCc1cc(C(C)C)nc2ccc(I)cc12 ZINC000669372225 564084057 /nfs/dbraw/zinc/08/40/57/564084057.db2.gz IQBRHAGMDJGFJS-UHFFFAOYSA-N 0 0 325.193 4.525 10 0 EJAERN Cc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2C)c1 ZINC000006815870 564098660 /nfs/dbraw/zinc/09/86/60/564098660.db2.gz MOVJVDNUUBKRJM-NRFANRHFSA-N 0 0 345.446 4.742 10 0 EJAERN Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1cncnc1-2 ZINC000006095254 564111804 /nfs/dbraw/zinc/11/18/04/564111804.db2.gz CLYXKIKVKJZIOF-UHFFFAOYSA-N 0 0 340.213 4.801 10 0 EJAERN CC(C)c1ccc2c(Br)cnc(Br)c2c1 ZINC000096856550 564117370 /nfs/dbraw/zinc/11/73/70/564117370.db2.gz LXDNULWRCBHEAK-UHFFFAOYSA-N 0 0 329.035 4.883 10 0 EJAERN COc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C)cc1Cl ZINC000048544507 564129345 /nfs/dbraw/zinc/12/93/45/564129345.db2.gz VDSVIAYXTKYCRV-VMPITWQZSA-N 0 0 336.218 4.962 10 0 EJAERN O=C(NC1CCCC1)c1ccc(CSCc2cccc(F)c2)o1 ZINC000003059409 564154770 /nfs/dbraw/zinc/15/47/70/564154770.db2.gz PUZYNGZCVYDEPY-UHFFFAOYSA-N 0 0 333.428 4.525 10 0 EJAERN CCC(C)(C)C(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685958546 564177052 /nfs/dbraw/zinc/17/70/52/564177052.db2.gz UFGUYOYVPFGNIX-UHFFFAOYSA-N 0 0 333.472 4.819 10 0 EJAERN CCOC(=O)c1[nH]c2ccc(OC)cc2c1-c1ccc(Cl)cc1 ZINC000058823804 564177717 /nfs/dbraw/zinc/17/77/17/564177717.db2.gz WWAPNSPPWLXCAP-UHFFFAOYSA-N 0 0 329.783 4.674 10 0 EJAERN C[C@H](O)c1cc(Cl)ccc1OCc1cc(Br)cs1 ZINC000050210872 214050433 /nfs/dbraw/zinc/05/04/33/214050433.db2.gz QNNJDOUQLZZORV-QMMMGPOBSA-N 0 0 347.661 4.796 10 0 EJAERN Fc1cc(Br)ccc1-c1nnc(C2CCCCC2)o1 ZINC000050309542 214053579 /nfs/dbraw/zinc/05/35/79/214053579.db2.gz UYRHIEJOVRKMRA-UHFFFAOYSA-N 0 0 325.181 4.686 10 0 EJAERN COc1ccc(-c2nc3cc(Cl)ccc3c(N3CCCC3)n2)cc1 ZINC000006774642 201696621 /nfs/dbraw/zinc/69/66/21/201696621.db2.gz XKPWDFJTGNIRCB-UHFFFAOYSA-N 0 0 339.826 4.559 10 0 EJAERN O=C(Cc1ccc(F)cc1Br)c1ccccc1Cl ZINC000053780334 214197956 /nfs/dbraw/zinc/19/79/56/214197956.db2.gz WTVZTUYBUJQHCN-UHFFFAOYSA-N 0 0 327.580 4.667 10 0 EJAERN O[C@H](Cc1ccc(F)cc1Cl)c1ccccc1Br ZINC000053786575 214199022 /nfs/dbraw/zinc/19/90/22/214199022.db2.gz FBDMQWUKRXSCHG-CQSZACIVSA-N 0 0 329.596 4.518 10 0 EJAERN COC(=O)c1cccc(Nc2ccnc3c(C)ccc(Cl)c23)c1 ZINC000053994883 214210261 /nfs/dbraw/zinc/21/02/61/214210261.db2.gz ZNQWZKVDBXJQCB-UHFFFAOYSA-N 0 0 326.783 4.727 10 0 EJAERN CCc1ccc2oc(C(=O)Nc3nc(C)c(C(C)=O)s3)c(C)c2c1 ZINC000054644911 214246913 /nfs/dbraw/zinc/24/69/13/214246913.db2.gz KDUGZQGOMANHAG-UHFFFAOYSA-N 0 0 342.420 4.523 10 0 EJAERN O[C@@H](Cc1sccc1Br)c1cccc2ccccc21 ZINC000054438751 214238834 /nfs/dbraw/zinc/23/88/34/214238834.db2.gz ORLZLXXQIPHNPO-HNNXBMFYSA-N 0 0 333.250 4.940 10 0 EJAERN CCc1ccc(C(=O)N[C@H](C)c2cccc(Br)c2)s1 ZINC000055460308 214325316 /nfs/dbraw/zinc/32/53/16/214325316.db2.gz VAXKEFPSWXOSKO-SNVBAGLBSA-N 0 0 338.270 4.564 10 0 EJAERN O[C@@H](Cc1ccc(F)c(Br)c1)c1ccc(Cl)cc1 ZINC000049598354 214021381 /nfs/dbraw/zinc/02/13/81/214021381.db2.gz HJKMNFZGWCYHQE-AWEZNQCLSA-N 0 0 329.596 4.518 10 0 EJAERN COc1ccc2c(c1)N(C(C)C)C(=O)CC(c1ccc(Cl)cc1)=N2 ZINC000100898372 219111188 /nfs/dbraw/zinc/11/11/88/219111188.db2.gz LVALOSDQNSNHAJ-UHFFFAOYSA-N 0 0 342.826 4.615 10 0 EJAERN CCc1ccc(NC(=O)/C=C/c2ccccc2)c(Br)c1 ZINC000065000366 214822083 /nfs/dbraw/zinc/82/20/83/214822083.db2.gz MBOFIIXKFPCDHS-PKNBQFBNSA-N 0 0 330.225 4.663 10 0 EJAERN O=C(Nc1nc2c(cc(Cl)cc2Cl)s1)c1cccs1 ZINC000004264256 210156088 /nfs/dbraw/zinc/15/60/88/210156088.db2.gz OMSWRUXILPQITF-UHFFFAOYSA-N 0 0 329.233 4.917 10 0 EJAERN Cc1cc2nc(NC(=O)c3ccc4ncsc4c3)sc2c(C)c1 ZINC000004264330 210155253 /nfs/dbraw/zinc/15/52/53/210155253.db2.gz FNEZRTPNCFVJET-UHFFFAOYSA-N 0 0 339.445 4.775 10 0 EJAERN O=Cc1ccc(-c2cccc(NC(=O)OCc3ccccc3)c2)cc1 ZINC000008699535 201757561 /nfs/dbraw/zinc/75/75/61/201757561.db2.gz NBFBZNCRSWXNKV-UHFFFAOYSA-N 0 0 331.371 4.915 10 0 EJAERN COc1cc(C=O)cc(Oc2ccc(C)cc2C(C)(C)C)c1OC ZINC000004227102 210146738 /nfs/dbraw/zinc/14/67/38/210146738.db2.gz WWWITZBNEIEFFC-UHFFFAOYSA-N 0 0 328.408 4.915 10 0 EJAERN O=C(COc1ccc(F)c(Cl)c1)c1ccc(Br)s1 ZINC000047822031 213870147 /nfs/dbraw/zinc/87/01/47/213870147.db2.gz FXIYJAQAEKUFPG-UHFFFAOYSA-N 0 0 349.608 4.565 10 0 EJAERN Cc1ccsc1CNc1ccccc1C(=O)N1CC=C[C@@H]1C(C)C ZINC000065492759 214932062 /nfs/dbraw/zinc/93/20/62/214932062.db2.gz LKYPOPLRABZPRO-GOSISDBHSA-N 0 0 340.492 4.705 10 0 EJAERN Cc1cc(C)nc(N(C)c2ccc(C(C)C)cc2Br)n1 ZINC000013794382 201915656 /nfs/dbraw/zinc/91/56/56/201915656.db2.gz NZHPYWKTCLZWBM-UHFFFAOYSA-N 0 0 334.261 4.747 10 0 EJAERN C/C(=C\c1nsc(Nc2ccc(Cl)cc2Cl)n1)NC(C)C ZINC000103573576 219314085 /nfs/dbraw/zinc/31/40/85/219314085.db2.gz FDSPRNPZSLUEQL-RMKNXTFCSA-N 0 0 343.283 4.947 10 0 EJAERN CC(C)[C@H]1CCC(=O)[C@H](Cc2ccc(Br)cc2F)C1 ZINC000103940142 219331229 /nfs/dbraw/zinc/33/12/29/219331229.db2.gz OXBGJBAGZIPVMH-AAEUAGOBSA-N 0 0 327.237 4.772 10 0 EJAERN O=C(c1cccc(Br)c1)c1cccc(Cl)c1Cl ZINC000103946241 219331333 /nfs/dbraw/zinc/33/13/33/219331333.db2.gz SOXBFDNAAFLYEI-UHFFFAOYSA-N 0 0 330.008 4.987 10 0 EJAERN CCC[C@@H]1CCC(=O)[C@@H](Cc2ccc(F)cc2Br)C1 ZINC000103937257 219329989 /nfs/dbraw/zinc/32/99/89/219329989.db2.gz LRRQTGMBTKNSKI-DGCLKSJQSA-N 0 0 327.237 4.916 10 0 EJAERN CCCNc1nc(-c2cc(Br)cs2)nc(C)c1CC ZINC000103990291 219336010 /nfs/dbraw/zinc/33/60/10/219336010.db2.gz LYGQKBKDAMKTSD-UHFFFAOYSA-N 0 0 340.290 4.660 10 0 EJAERN Nc1ccc(COc2ccc(Br)cc2Cl)c(Cl)c1 ZINC000103987820 219336439 /nfs/dbraw/zinc/33/64/39/219336439.db2.gz MQPIEQOEFKTLPH-UHFFFAOYSA-N 0 0 347.039 4.917 10 0 EJAERN Clc1ccc(NCCOc2ccc(Br)cc2)cc1 ZINC000104000466 219337388 /nfs/dbraw/zinc/33/73/88/219337388.db2.gz SVFYHIDJMWQGPB-UHFFFAOYSA-N 0 0 326.621 4.593 10 0 EJAERN COCc1c(Br)cccc1N[C@@H](C)C1CCCCC1 ZINC000103992116 219337406 /nfs/dbraw/zinc/33/74/06/219337406.db2.gz MOESZSDMQDCCFF-LBPRGKRZSA-N 0 0 326.278 4.976 10 0 EJAERN CC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(Br)c(F)c1 ZINC000104007571 219338289 /nfs/dbraw/zinc/33/82/89/219338289.db2.gz PNMOGQKKEBBIGX-HNNXBMFYSA-N 0 0 342.639 4.941 10 0 EJAERN Fc1cccc(NCCSc2ccc(Br)cc2)c1 ZINC000104016766 219339178 /nfs/dbraw/zinc/33/91/78/219339178.db2.gz DQDYTIKGLGZGEH-UHFFFAOYSA-N 0 0 326.234 4.792 10 0 EJAERN Cc1ccc(Cl)cc1NCCOc1cccc(Br)c1 ZINC000104013745 219339318 /nfs/dbraw/zinc/33/93/18/219339318.db2.gz JKHWBRHTZQBHIP-UHFFFAOYSA-N 0 0 340.648 4.902 10 0 EJAERN COC(=O)c1scc(-c2ccc(Oc3ccccc3)cc2)c1N ZINC000002528741 209864661 /nfs/dbraw/zinc/86/46/61/209864661.db2.gz IQUDQWGUTLFXET-UHFFFAOYSA-N 0 0 325.389 4.576 10 0 EJAERN CCCC[C@H](C)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000103971668 219334361 /nfs/dbraw/zinc/33/43/61/219334361.db2.gz AOMUSHWGBYBUIR-JTQLQIEISA-N 0 0 336.220 4.719 10 0 EJAERN CCCNc1nc(-c2ccc(Br)s2)nc(CC)c1C ZINC000104156874 219354867 /nfs/dbraw/zinc/35/48/67/219354867.db2.gz DPMGNAIRCBZZPT-UHFFFAOYSA-N 0 0 340.290 4.660 10 0 EJAERN COc1ccc2sc(C(=O)Nc3ccccc3OC)c(Cl)c2c1 ZINC000041007665 213408047 /nfs/dbraw/zinc/40/80/47/213408047.db2.gz OJBUTLXJTMEWMS-UHFFFAOYSA-N 0 0 347.823 4.824 10 0 EJAERN CCCc1c(Cl)ncnc1Nc1ccc(Br)cc1C ZINC000104229412 219362786 /nfs/dbraw/zinc/36/27/86/219362786.db2.gz YLWFHKOAFMJPKK-UHFFFAOYSA-N 0 0 340.652 4.897 10 0 EJAERN C[NH2+]Cc1ccc(Br)cc1SCc1cccc(C)c1 ZINC000104299722 219371884 /nfs/dbraw/zinc/37/18/84/219371884.db2.gz MJJALQLRJGVQCO-UHFFFAOYSA-N 0 0 336.298 4.769 10 0 EJAERN O=Cc1ccc(Br)cc1Sc1cc(F)ccc1F ZINC000104297665 219371944 /nfs/dbraw/zinc/37/19/44/219371944.db2.gz CUTKNMPBAGWNJX-UHFFFAOYSA-N 0 0 329.165 4.691 10 0 EJAERN COc1ccccc1OCCCC(=O)Nc1c(C)cccc1C(C)C ZINC000040882172 213398094 /nfs/dbraw/zinc/39/80/94/213398094.db2.gz PRYMBOUUHZPCAV-UHFFFAOYSA-N 0 0 341.451 4.925 10 0 EJAERN Cc1ccc(Oc2ncnc(NC3CCCCCC3)c2N)cc1C ZINC000040800948 213389053 /nfs/dbraw/zinc/38/90/53/213389053.db2.gz GZDZOHTZOCGNGA-UHFFFAOYSA-N 0 0 326.444 4.603 10 0 EJAERN Nc1c(Nc2ccccc2)ncnc1Sc1cccc2cccnc21 ZINC000040781154 213386271 /nfs/dbraw/zinc/38/62/71/213386271.db2.gz LDGQTMLVIKKLJY-UHFFFAOYSA-N 0 0 345.431 4.502 10 0 EJAERN Cc1ccccc1Nc1ncnc(Nc2ccccc2Cl)c1N ZINC000040781156 213386075 /nfs/dbraw/zinc/38/60/75/213386075.db2.gz AQSABDOPYLMCFG-UHFFFAOYSA-N 0 0 325.803 4.508 10 0 EJAERN CC(C)CCNc1ncnc(Nc2cc(Cl)ccc2Cl)c1N ZINC000040778329 213385861 /nfs/dbraw/zinc/38/58/61/213385861.db2.gz ZBWPMFXQIKTYLE-UHFFFAOYSA-N 0 0 340.258 4.567 10 0 EJAERN Cc1ccc(Oc2ncnc(Oc3ccc(Cl)c(C)c3)c2N)cc1 ZINC000040796241 213386749 /nfs/dbraw/zinc/38/67/49/213386749.db2.gz QZZXLDPNHKOEBR-UHFFFAOYSA-N 0 0 341.798 4.914 10 0 EJAERN Nc1c(Nc2ccccc2F)ncnc1Nc1cccc2ccccc21 ZINC000040758826 213383955 /nfs/dbraw/zinc/38/39/55/213383955.db2.gz DCHUSTXLCQKLGJ-UHFFFAOYSA-N 0 0 345.381 4.838 10 0 EJAERN Cc1cccc(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)c1C ZINC000040755093 213383460 /nfs/dbraw/zinc/38/34/60/213383460.db2.gz SIPKNTBQIQEGSZ-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN Cc1ccc(Nc2ncnc(N(CC(C)C)CC(C)C)c2N)c(C)c1 ZINC000040735549 213379334 /nfs/dbraw/zinc/37/93/34/213379334.db2.gz JIUJNUHBNGRHOP-UHFFFAOYSA-N 0 0 341.503 4.538 10 0 EJAERN CC[C@@H]1CCCC[C@@H]1Oc1ccc(Br)cc1[C@H](C)O ZINC000104387055 219383793 /nfs/dbraw/zinc/38/37/93/219383793.db2.gz RQZZTAIJYGAAKY-ZOWXZIJZSA-N 0 0 327.262 4.850 10 0 EJAERN Cc1cc(Cl)ccc1Nc1ncnc(NC2CCCCC2)c1N ZINC000040703125 213371270 /nfs/dbraw/zinc/37/12/70/213371270.db2.gz FPBVLJFOKAYCCX-UHFFFAOYSA-N 0 0 331.851 4.509 10 0 EJAERN Cc1ccc(Cl)cc1Nc1ncnc(Oc2ccccc2)c1N ZINC000040705020 213371924 /nfs/dbraw/zinc/37/19/24/213371924.db2.gz YRACJLSILKSCRW-UHFFFAOYSA-N 0 0 326.787 4.557 10 0 EJAERN CCN(c1ccccc1)c1ncnc(Nc2ccccc2Cl)c1N ZINC000040679624 213367822 /nfs/dbraw/zinc/36/78/22/213367822.db2.gz RWCFKMJNNXHCKK-UHFFFAOYSA-N 0 0 339.830 4.614 10 0 EJAERN Cc1cc(C)cc(Oc2ncnc(Nc3ccccc3Cl)c2N)c1 ZINC000040681448 213367635 /nfs/dbraw/zinc/36/76/35/213367635.db2.gz QUBAFHLUNPKQOU-UHFFFAOYSA-N 0 0 340.814 4.865 10 0 EJAERN Clc1ccc([C@H](NCc2cscn2)c2cccs2)s1 ZINC000104432375 219387376 /nfs/dbraw/zinc/38/73/76/219387376.db2.gz USCMXJDIAFLAFU-CYBMUJFWSA-N 0 0 326.899 4.799 10 0 EJAERN CCOC(=O)c1c(NC(C)=O)sc(C)c1-c1ccc(Cl)cc1 ZINC000001973698 209809228 /nfs/dbraw/zinc/80/92/28/209809228.db2.gz FLXKZUKHRWTBDR-UHFFFAOYSA-N 0 0 337.828 4.512 10 0 EJAERN CCn1c(COc2ccccc2C)nc2cc(C(F)(F)F)ccc21 ZINC000040417126 213302006 /nfs/dbraw/zinc/30/20/06/213302006.db2.gz HKFHUVRRRASMML-UHFFFAOYSA-N 0 0 334.341 4.962 10 0 EJAERN Clc1ccccc1OCc1nc2ccccc2n1Cc1ccco1 ZINC000040390260 213296598 /nfs/dbraw/zinc/29/65/98/213296598.db2.gz PFTXPRBFTUOMJN-UHFFFAOYSA-N 0 0 338.794 4.910 10 0 EJAERN CCOCCn1c2ccccc2nc1-c1cccc(Br)c1 ZINC000040250330 213284620 /nfs/dbraw/zinc/28/46/20/213284620.db2.gz QMYYNTHZKGSDKI-UHFFFAOYSA-N 0 0 345.240 4.502 10 0 EJAERN COc1ccccc1Cn1c(/C=C/c2ccco2)nc2ccccc21 ZINC000040238643 213283207 /nfs/dbraw/zinc/28/32/07/213283207.db2.gz QWDLIJWLUBPQAZ-OUKQBFOZSA-N 0 0 330.387 4.857 10 0 EJAERN Cc1cc(C)cc(OCCn2c3ccccc3nc2-c2ccco2)c1 ZINC000040239014 213283296 /nfs/dbraw/zinc/28/32/96/213283296.db2.gz YAZJOYUPVPTBGH-UHFFFAOYSA-N 0 0 332.403 4.992 10 0 EJAERN CC(C)c1nc2ccccc2n1Cc1ccc(Br)cc1 ZINC000040231225 213284306 /nfs/dbraw/zinc/28/43/06/213284306.db2.gz CVUMVRQHOZUOGP-UHFFFAOYSA-N 0 0 329.241 4.971 10 0 EJAERN C=CC(=O)NCCCCCc1nc2ccccc2n1CCCCCC ZINC000040219573 213282813 /nfs/dbraw/zinc/28/28/13/213282813.db2.gz NOFQRDXCPSYEAF-UHFFFAOYSA-N 0 0 341.499 4.632 10 0 EJAERN CC(=O)Nc1ccc(Cl)c(Nc2ccnc3c(F)cccc23)c1 ZINC000039963756 213247579 /nfs/dbraw/zinc/24/75/79/213247579.db2.gz AYUZHLOASVOFGI-UHFFFAOYSA-N 0 0 329.762 4.729 10 0 EJAERN CC(=O)Nc1ccc(Nc2ccnc3c2cccc3C(F)(F)F)cc1 ZINC000039963854 213247399 /nfs/dbraw/zinc/24/73/99/213247399.db2.gz XGJFPVXBISGNPS-UHFFFAOYSA-N 0 0 345.324 4.956 10 0 EJAERN Cc1ccccc1C(=O)n1c(COc2ccccc2)nc2ccccc21 ZINC000039758208 213241935 /nfs/dbraw/zinc/24/19/35/213241935.db2.gz ILUILJYNKBZKGW-UHFFFAOYSA-N 0 0 342.398 4.612 10 0 EJAERN COc1cc(N)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000039368510 213234724 /nfs/dbraw/zinc/23/47/24/213234724.db2.gz VHTVXLKBJUEUAR-UHFFFAOYSA-N 0 0 348.324 4.945 10 0 EJAERN Clc1cncc(Oc2ccc3ccccc3c2Br)n1 ZINC000038077698 213201020 /nfs/dbraw/zinc/20/10/20/213201020.db2.gz PJYFPRVMZJGWEL-UHFFFAOYSA-N 0 0 335.588 4.838 10 0 EJAERN CCCn1c(CNc2ccccc2Br)nc2ccccc21 ZINC000038046601 213197074 /nfs/dbraw/zinc/19/70/74/213197074.db2.gz CZPSCTSNYUFKIL-UHFFFAOYSA-N 0 0 344.256 4.821 10 0 EJAERN Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccoc2)n1 ZINC000020110083 202032924 /nfs/dbraw/zinc/03/29/24/202032924.db2.gz VWTDXNWBDMTDRQ-QFIPXVFZSA-N 0 0 343.430 4.612 10 0 EJAERN O=C(NCc1ccccc1)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020557404 202049356 /nfs/dbraw/zinc/04/93/56/202049356.db2.gz NACUQXCKLVLLPR-UHFFFAOYSA-N 0 0 341.501 4.531 10 0 EJAERN C[C@@H](Nc1cccc(-n2cccn2)c1)c1ccc(Br)s1 ZINC000038003136 213186960 /nfs/dbraw/zinc/18/69/60/213186960.db2.gz SOGHUAQXZMORSM-LLVKDONJSA-N 0 0 348.269 4.869 10 0 EJAERN C[C@H](Nc1ccccc1-n1cccn1)c1ccc(Br)s1 ZINC000038002763 213186764 /nfs/dbraw/zinc/18/67/64/213186764.db2.gz KSQOOAPIZIYTRA-NSHDSACASA-N 0 0 348.269 4.869 10 0 EJAERN Cc1cc(C)nc(Oc2ccc3ccccc3c2Br)n1 ZINC000037982092 213181536 /nfs/dbraw/zinc/18/15/36/213181536.db2.gz UCRIJBMNVIBEGM-UHFFFAOYSA-N 0 0 329.197 4.801 10 0 EJAERN Cc1cc(Oc2ccc3ccccc3c2Br)nc(C)n1 ZINC000037982091 213181258 /nfs/dbraw/zinc/18/12/58/213181258.db2.gz GDCVECBBEIQMJN-UHFFFAOYSA-N 0 0 329.197 4.801 10 0 EJAERN COC(=O)c1sc(Nc2cc(Cl)cc(Cl)c2)nc1Cl ZINC000037579061 213159179 /nfs/dbraw/zinc/15/91/79/213159179.db2.gz VEDJJPPEVRNGRB-UHFFFAOYSA-N 0 0 337.615 4.634 10 0 EJAERN C[C@](O)(Cc1cccc(Cl)c1)c1cccc(Br)c1 ZINC000037530941 213154747 /nfs/dbraw/zinc/15/47/47/213154747.db2.gz WSJVQQZIGQMJMA-HNNXBMFYSA-N 0 0 325.633 4.553 10 0 EJAERN C[C@@](O)(Cc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000037530890 213154199 /nfs/dbraw/zinc/15/41/99/213154199.db2.gz FUKSUAHYVVOOLK-OAHLLOKOSA-N 0 0 325.633 4.553 10 0 EJAERN C[C@@](O)(Cc1cccc(Br)c1)c1ccccc1Cl ZINC000037530864 213154228 /nfs/dbraw/zinc/15/42/28/213154228.db2.gz VHECEHBUXYIGFH-OAHLLOKOSA-N 0 0 325.633 4.553 10 0 EJAERN C[C@H]1C[C@@H](OCc2ccc(N)cc2Br)CC(C)(C)C1 ZINC000037516173 213153570 /nfs/dbraw/zinc/15/35/70/213153570.db2.gz FROBCPNNETWZNA-SMDDNHRTSA-N 0 0 326.278 4.763 10 0 EJAERN C[C@@H]1C[C@@H](OCc2ccc(N)cc2Br)CC(C)(C)C1 ZINC000037516172 213153279 /nfs/dbraw/zinc/15/32/79/213153279.db2.gz FROBCPNNETWZNA-BXUZGUMPSA-N 0 0 326.278 4.763 10 0 EJAERN Cc1cc(-n2c3cccc(F)c3[nH]c2=S)ccc1Br ZINC000037422610 213146986 /nfs/dbraw/zinc/14/69/86/213146986.db2.gz JNTOLSAPYZIUNA-UHFFFAOYSA-N 0 0 337.217 4.898 10 0 EJAERN Nc1ccc(Cl)c(Cn2ccc3cc(Br)ccc32)c1 ZINC000037403194 213144854 /nfs/dbraw/zinc/14/48/54/213144854.db2.gz IIDSIDSTMBNPLO-UHFFFAOYSA-N 0 0 335.632 4.688 10 0 EJAERN C[C@@H]1C[C@@H](OCc2c(N)cccc2Br)CC(C)(C)C1 ZINC000037402289 213144119 /nfs/dbraw/zinc/14/41/19/213144119.db2.gz YHAAVCDCCFMBIG-VXGBXAGGSA-N 0 0 326.278 4.763 10 0 EJAERN CC(=O)c1ccc(Sc2ccc(Br)cc2)c(F)c1 ZINC000037374960 213142641 /nfs/dbraw/zinc/14/26/41/213142641.db2.gz UKTRONQOTMNVLT-UHFFFAOYSA-N 0 0 325.202 4.942 10 0 EJAERN O=C(c1ccc(Br)cc1)c1ccccc1C(F)(F)F ZINC000037358040 213140018 /nfs/dbraw/zinc/14/00/18/213140018.db2.gz AHNLXZIJQCTVGM-UHFFFAOYSA-N 0 0 329.115 4.699 10 0 EJAERN Brc1csc(CNc2cccc(-n3cccc3)c2)c1 ZINC000037104321 213132714 /nfs/dbraw/zinc/13/27/14/213132714.db2.gz HMSUNMCBPUHQPZ-UHFFFAOYSA-N 0 0 333.254 4.913 10 0 EJAERN Brc1cc(CNc2ccc(-c3cc[nH]n3)cc2)cs1 ZINC000037104824 213132743 /nfs/dbraw/zinc/13/27/43/213132743.db2.gz ZIFDUIMRKSFFOF-UHFFFAOYSA-N 0 0 334.242 4.513 10 0 EJAERN C[C@@H](Nc1nc2cc(Br)ccc2s1)c1cccnc1 ZINC000035692432 213047695 /nfs/dbraw/zinc/04/76/95/213047695.db2.gz YKTZPLZKGIKIBE-SECBINFHSA-N 0 0 334.242 4.627 10 0 EJAERN C[C@@H](O)c1ccc(Oc2ccc(F)cc2Br)c(F)c1 ZINC000035632037 213044093 /nfs/dbraw/zinc/04/40/93/213044093.db2.gz WYIOQUIWOCSDAB-MRVPVSSYSA-N 0 0 329.140 4.573 10 0 EJAERN Cc1c(N)cccc1COc1ccc(Br)cc1Cl ZINC000035649441 213043872 /nfs/dbraw/zinc/04/38/72/213043872.db2.gz UWPPAHPPOWOEGY-UHFFFAOYSA-N 0 0 326.621 4.572 10 0 EJAERN CCN[C@H](c1cc(Cl)sc1Cl)C(F)(F)C(F)(F)F ZINC000035559271 213038138 /nfs/dbraw/zinc/03/81/38/213038138.db2.gz GDYIYGMCOYHNIY-ZCFIWIBFSA-N 0 0 328.133 4.903 10 0 EJAERN Cc1cccc(NC(=O)CSc2cc(C)c3cccc(C)c3n2)c1 ZINC000032521501 202226276 /nfs/dbraw/zinc/22/62/76/202226276.db2.gz SFASTLUSMTZWJC-UHFFFAOYSA-N 0 0 336.460 4.891 10 0 EJAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2CCCCOc1ccccc1 ZINC000032530742 202226867 /nfs/dbraw/zinc/22/68/67/202226867.db2.gz UWXBTHFHCQYXEJ-UHFFFAOYSA-N 0 0 335.447 4.786 10 0 EJAERN Nc1ccc(Sc2ccccc2Br)c2ccncc12 ZINC000035333355 213021782 /nfs/dbraw/zinc/02/17/82/213021782.db2.gz AREVXXHRQNUGCJ-UHFFFAOYSA-N 0 0 331.238 4.731 10 0 EJAERN C[C@H](Nc1nc2cc(Br)ccc2s1)c1cccnc1 ZINC000035692430 213047927 /nfs/dbraw/zinc/04/79/27/213047927.db2.gz YKTZPLZKGIKIBE-VIFPVBQESA-N 0 0 334.242 4.627 10 0 EJAERN Cc1ccc(OCCCCn2c(=O)cc(C)c3cccc(C)c32)cc1 ZINC000032530546 212808705 /nfs/dbraw/zinc/80/87/05/212808705.db2.gz CBTIBEVYKFIXHE-UHFFFAOYSA-N 0 0 335.447 4.786 10 0 EJAERN CCn1nc(C(=O)Nc2ccc(F)cc2)cc1-c1cccc(Cl)c1 ZINC000034901608 202280277 /nfs/dbraw/zinc/28/02/77/202280277.db2.gz LQFKEPREOLYPIB-UHFFFAOYSA-N 0 0 343.789 4.615 10 0 EJAERN CCOC(=O)c1cccc(Nc2ccnc3ccc(OCC)cc32)c1 ZINC000072237226 216076289 /nfs/dbraw/zinc/07/62/89/216076289.db2.gz FTWCCFLMYCGKKG-UHFFFAOYSA-N 0 0 336.391 4.554 10 0 EJAERN Oc1cccc(Nc2nc3ccccc3c(Nc3ccccc3)n2)c1 ZINC000072260329 216085608 /nfs/dbraw/zinc/08/56/08/216085608.db2.gz MWRYKINNVBUWOD-UHFFFAOYSA-N 0 0 328.375 4.823 10 0 EJAERN Cc1ccc(CNc2nc(Nc3cccnc3)nc3ccccc32)cc1 ZINC000072260988 216086076 /nfs/dbraw/zinc/08/60/76/216086076.db2.gz FXWVQSLDOHMEIU-UHFFFAOYSA-N 0 0 341.418 4.689 10 0 EJAERN Nc1cccc(Br)c1CSc1ccccc1Cl ZINC000037402367 202340264 /nfs/dbraw/zinc/34/02/64/202340264.db2.gz SQJCORLNTLSNDY-UHFFFAOYSA-N 0 0 328.662 4.977 10 0 EJAERN COc1ccc(Cn2c3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000040249690 202431066 /nfs/dbraw/zinc/43/10/66/202431066.db2.gz CZAIUTOEPGSVMM-UHFFFAOYSA-N 0 0 332.378 4.899 10 0 EJAERN Cc1cc(NC(=O)c2ccc(F)cc2)c2ccc(Cl)c(C)c2n1 ZINC000040359502 202436250 /nfs/dbraw/zinc/43/62/50/202436250.db2.gz GKRIIULPKOUMJN-UHFFFAOYSA-N 0 0 328.774 4.896 10 0 EJAERN CCOc1ccc2nc(C(=O)Nc3cccc(CC)c3)sc2c1 ZINC000000265051 209510995 /nfs/dbraw/zinc/51/09/95/209510995.db2.gz VBIBCJLGHIKOIN-UHFFFAOYSA-N 0 0 326.421 4.510 10 0 EJAERN Cc1ccc(Br)cc1NC[C@H](O)c1ccccc1Cl ZINC000037893633 213172446 /nfs/dbraw/zinc/17/24/46/213172446.db2.gz YMSNPIRKKTZBQM-HNNXBMFYSA-N 0 0 340.648 4.556 10 0 EJAERN COc1ccc(-c2ccnc(Nc3ccc(Cl)cc3)n2)cc1OC ZINC000072443552 216236801 /nfs/dbraw/zinc/23/68/01/216236801.db2.gz NGVOMPATWDFHEO-UHFFFAOYSA-N 0 0 341.798 4.558 10 0 EJAERN c1csc(-c2nc3nccc(-c4cccc5ccccc54)n3n2)c1 ZINC000072451432 216239817 /nfs/dbraw/zinc/23/98/17/216239817.db2.gz XPVMGJGQIGBVDJ-UHFFFAOYSA-N 0 0 328.400 4.673 10 0 EJAERN C[C@H](Nc1ncnc2sccc21)c1cccc(Br)c1 ZINC000026709837 212532185 /nfs/dbraw/zinc/53/21/85/212532185.db2.gz LSECJTFRFIYLBI-VIFPVBQESA-N 0 0 334.242 4.627 10 0 EJAERN COC(=O)c1ccc(Nc2ccnc3c(C)ccc(Cl)c23)cc1 ZINC000053994880 201130300 /nfs/dbraw/zinc/13/03/00/201130300.db2.gz IPUNXLYYENIEJW-UHFFFAOYSA-N 0 0 326.783 4.727 10 0 EJAERN CC[C@@H](c1c(O)cc(C)oc1=O)C(c1ccccc1)c1ccccc1 ZINC000255980810 201190627 /nfs/dbraw/zinc/19/06/27/201190627.db2.gz JHCQYJGTGCXNLI-GOSISDBHSA-N 0 0 334.415 4.980 10 0 EJAERN Clc1nc(Cl)nc(Oc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000005783825 201361487 /nfs/dbraw/zinc/36/14/87/201361487.db2.gz YMGUREPTXNOAHV-UHFFFAOYSA-N 0 0 345.400 4.931 10 0 EJAERN Clc1nc2c(ncn2Cc2ccccc2)c(/C=C/c2ccccc2)n1 ZINC000006581063 201361611 /nfs/dbraw/zinc/36/16/11/201361611.db2.gz SPGMYMVJTAHJGP-VAWYXSNFSA-N 0 0 346.821 4.698 10 0 EJAERN Cc1noc2cc(-c3cc(C(=O)Nc4nccs4)ccc3C)ccc12 ZINC000003938231 201360421 /nfs/dbraw/zinc/36/04/21/201360421.db2.gz FSOJTTPXTKPFQP-UHFFFAOYSA-N 0 0 349.415 4.820 10 0 EJAERN Cc1ccc([C@@H]([NH2+]Cc2ccccc2)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000053995105 202664556 /nfs/dbraw/zinc/66/45/56/202664556.db2.gz FPLVGQAIYDGXMD-FCHUYYIVSA-N 0 0 345.442 4.694 10 0 EJAERN Cc1cccc(C(=O)N[C@@H](C)c2ccccc2Br)c1C ZINC000023654792 212389601 /nfs/dbraw/zinc/38/96/01/212389601.db2.gz TYROGIQFGCDPKD-ZDUSSCGKSA-N 0 0 332.241 4.557 10 0 EJAERN COc1nccc2c(-c3ccccc3)cn(CCc3ccccc3)c21 ZINC000211647158 241084439 /nfs/dbraw/zinc/08/44/39/241084439.db2.gz OUPZNYCQOADDOB-UHFFFAOYSA-N 0 0 328.415 4.955 10 0 EJAERN CSc1cc(-c2cccnc2C)nc(-c2ccc(Cl)cc2)n1 ZINC000211799368 241085978 /nfs/dbraw/zinc/08/59/78/241085978.db2.gz HEFPUYLKUBAYMK-UHFFFAOYSA-N 0 0 327.840 4.889 10 0 EJAERN Cc1c(Cl)cccc1N1Cc2cc(Br)ccc2C1=O ZINC000216079301 241163387 /nfs/dbraw/zinc/16/33/87/241163387.db2.gz LNRZCRXBMWIHQL-UHFFFAOYSA-N 0 0 336.616 4.571 10 0 EJAERN CSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1 ZINC000217023801 241233693 /nfs/dbraw/zinc/23/36/93/241233693.db2.gz BTUWSSKDPPCVIB-UHFFFAOYSA-N 0 0 349.175 4.647 10 0 EJAERN FC(F)(F)c1cc(-c2cc(Cl)ccc2Cl)nc(=S)[nH]1 ZINC000217033105 241234385 /nfs/dbraw/zinc/23/43/85/241234385.db2.gz HRINCYFOOCMSJO-UHFFFAOYSA-N 0 0 325.142 4.758 10 0 EJAERN Cc1cc(C)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000021125389 212210219 /nfs/dbraw/zinc/21/02/19/212210219.db2.gz NJIZKMRLNIPQSB-UHFFFAOYSA-N 0 0 337.341 4.648 10 0 EJAERN Brc1ccc(COc2cccc(Br)c2)cc1 ZINC000021030452 212202213 /nfs/dbraw/zinc/20/22/13/212202213.db2.gz BFEDFUUFQQVEMJ-UHFFFAOYSA-N 0 0 342.030 4.791 10 0 EJAERN C[C@@H](Oc1ccc(Br)cc1)C(=O)c1cccc(Cl)c1 ZINC000070132683 203074098 /nfs/dbraw/zinc/07/40/98/203074098.db2.gz KXCDAOULPHSCNG-SNVBAGLBSA-N 0 0 339.616 4.753 10 0 EJAERN CSc1ccc(OCc2ccc(Br)cc2F)cc1 ZINC000070159984 203074498 /nfs/dbraw/zinc/07/44/98/203074498.db2.gz YTSKMCPASKNFKO-UHFFFAOYSA-N 0 0 327.218 4.889 10 0 EJAERN CC[C@H](c1c(O)cc(C)oc1=O)C(c1ccccc1)c1ccccc1 ZINC000255980811 244057290 /nfs/dbraw/zinc/05/72/90/244057290.db2.gz JHCQYJGTGCXNLI-SFHVURJKSA-N 0 0 334.415 4.980 10 0 EJAERN c1[nH]nc(-c2ccccn2)c1-c1ccnc(-c2cccc3cccnc32)c1 ZINC000072118103 203164371 /nfs/dbraw/zinc/16/43/71/203164371.db2.gz ZLKMYBWJOKYACG-UHFFFAOYSA-N 0 0 349.397 4.749 10 0 EJAERN Oc1ccc(Nc2nc3ccccc3c(Nc3ccccc3)n2)cc1 ZINC000072260328 203185498 /nfs/dbraw/zinc/18/54/98/203185498.db2.gz XDFZZQBACQGWCF-UHFFFAOYSA-N 0 0 328.375 4.823 10 0 EJAERN Cc1ccc(Oc2ncccc2C(F)(F)F)c(Br)c1 ZINC000020077661 212099631 /nfs/dbraw/zinc/09/96/31/212099631.db2.gz NKFHEGLSRCLDGD-UHFFFAOYSA-N 0 0 332.119 4.964 10 0 EJAERN CSc1ccc(NCc2ccc(F)cc2Br)cc1 ZINC000020043781 212097133 /nfs/dbraw/zinc/09/71/33/212097133.db2.gz JSZNUEMNCJQIBN-UHFFFAOYSA-N 0 0 326.234 4.922 10 0 EJAERN CSc1cccc(NCc2ccc(F)cc2Br)c1 ZINC000020038989 212096189 /nfs/dbraw/zinc/09/61/89/212096189.db2.gz SSKRNMHOFOYYIZ-UHFFFAOYSA-N 0 0 326.234 4.922 10 0 EJAERN C[C@@H](Nc1cccc(Br)c1)c1ccc2c(c1)OCCCO2 ZINC000019941845 212088765 /nfs/dbraw/zinc/08/87/65/212088765.db2.gz SENNFRBOFTUQQB-GFCCVEGCSA-N 0 0 348.240 4.784 10 0 EJAERN COc1ccc(Cl)cc1NCc1ccccc1Br ZINC000019914241 212083425 /nfs/dbraw/zinc/08/34/25/212083425.db2.gz LQRSKWZWGINLRW-UHFFFAOYSA-N 0 0 326.621 4.723 10 0 EJAERN O=C(NCc1ccccc1)c1cc2occc2c(Nc2ccccc2)n1 ZINC000075436722 203315130 /nfs/dbraw/zinc/31/51/30/203315130.db2.gz YWOXCTOVXFSZSL-UHFFFAOYSA-N 0 0 343.386 4.501 10 0 EJAERN Cc1cc(Br)ccc1N[C@H](C)c1nc2ccccc2n1C ZINC000019905639 212082114 /nfs/dbraw/zinc/08/21/14/212082114.db2.gz ULXUEDFNNUJPGL-GFCCVEGCSA-N 0 0 344.256 4.817 10 0 EJAERN Cc1cc(Br)ccc1N[C@H](C)c1ccc2c(c1)OCO2 ZINC000019905618 212082086 /nfs/dbraw/zinc/08/20/86/212082086.db2.gz DMHVTJBKZAVLBM-LLVKDONJSA-N 0 0 334.213 4.659 10 0 EJAERN Cc1ccc(N[C@@H](C)c2ccc3c(c2)OCCO3)c(Br)c1 ZINC000019901644 212081135 /nfs/dbraw/zinc/08/11/35/212081135.db2.gz NNVUTSZUCLLNMM-LBPRGKRZSA-N 0 0 348.240 4.702 10 0 EJAERN Nc1cc(Br)ccc1Sc1nc2ccccc2s1 ZINC000019845493 212075230 /nfs/dbraw/zinc/07/52/30/212075230.db2.gz ZOWZCBMPDKBBFQ-UHFFFAOYSA-N 0 0 337.267 4.792 10 0 EJAERN Fc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Br)c1 ZINC000019806540 212070902 /nfs/dbraw/zinc/07/09/02/212070902.db2.gz VVPUTWLOGPUIQR-UHFFFAOYSA-N 0 0 336.082 4.794 10 0 EJAERN CC(=O)CCc1ccc(OCc2ccccc2Br)cc1 ZINC000019483161 212032174 /nfs/dbraw/zinc/03/21/74/212032174.db2.gz TUAKHHCBFOQVLA-UHFFFAOYSA-N 0 0 333.225 4.550 10 0 EJAERN COc1ccc(COC[C@H]2CC=CC[C@H]2C)cc1Br ZINC000103987679 204092193 /nfs/dbraw/zinc/09/21/93/204092193.db2.gz RFUXLPJJKOZWDZ-TZMCWYRMSA-N 0 0 325.246 4.577 10 0 EJAERN C/C(=C\c1nsc(Nc2ccc(C)cc2)n1)NCc1ccccc1 ZINC000103573581 204083826 /nfs/dbraw/zinc/08/38/26/204083826.db2.gz MKYZBRZCYMMMAR-NTCAYCPXSA-N 0 0 336.464 4.741 10 0 EJAERN CCCOc1ccc(OCc2cc(Br)cs2)cc1 ZINC000103968579 204090728 /nfs/dbraw/zinc/09/07/28/204090728.db2.gz ZTLWRUSEWPUVHF-UHFFFAOYSA-N 0 0 327.243 4.878 10 0 EJAERN CCc1c(Cl)ncnc1Nc1cc(Br)ccc1Cl ZINC000104218557 204102186 /nfs/dbraw/zinc/10/21/86/204102186.db2.gz INFRDFMMFJAMFL-UHFFFAOYSA-N 0 0 347.043 4.852 10 0 EJAERN C[C@@H](O)c1cc(F)ccc1Sc1ccc(Br)cc1 ZINC000104288814 204104510 /nfs/dbraw/zinc/10/45/10/204104510.db2.gz WBYGRVTWJUELTL-SECBINFHSA-N 0 0 327.218 4.793 10 0 EJAERN C[C@@H](Nc1ccc(Cl)cc1N)c1cccc(Br)c1 ZINC000049564143 214020234 /nfs/dbraw/zinc/02/02/34/214020234.db2.gz LSLFYYLTPGDQIH-SECBINFHSA-N 0 0 325.637 4.858 10 0 EJAERN C[C@@H](Nc1c(N)cccc1Cl)c1cccc(Br)c1 ZINC000049564156 214020485 /nfs/dbraw/zinc/02/04/85/214020485.db2.gz SSGAEIACXNUDRY-SECBINFHSA-N 0 0 325.637 4.858 10 0 EJAERN C[C@H](O)c1ccccc1N[C@@H](C)c1sccc1Br ZINC000049543119 214015779 /nfs/dbraw/zinc/01/57/79/214015779.db2.gz KXRQGTITYSJJLT-UWVGGRQHSA-N 0 0 326.259 4.737 10 0 EJAERN CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c(C(=O)C(C)C)c1O ZINC000015120709 211804217 /nfs/dbraw/zinc/80/42/17/211804217.db2.gz TXDNBNXWWCEVMG-NTEUORMPSA-N 0 0 332.440 4.877 10 0 EJAERN C[C@H](Nc1ccc(Cl)cc1C(N)=S)c1ccc(Cl)s1 ZINC000052858636 206144652 /nfs/dbraw/zinc/14/46/52/206144652.db2.gz BBJJCDRTNUZMRR-ZETCQYMHSA-N 0 0 331.293 4.862 10 0 EJAERN CCCCSc1nc2nc(CC)c(Br)cc2s1 ZINC000089229633 217777992 /nfs/dbraw/zinc/77/79/92/217777992.db2.gz MXYQEBQQMMOEMT-UHFFFAOYSA-N 0 0 331.304 4.908 10 0 EJAERN Brc1cnc(Nc2ccc(Oc3ccccc3)cc2)nc1 ZINC000001495483 206289809 /nfs/dbraw/zinc/28/98/09/206289809.db2.gz PAYWVTNWQRPSIW-UHFFFAOYSA-N 0 0 342.196 4.775 10 0 EJAERN O=C(Nc1ccc(Cl)c(COc2cccnc2)c1)c1ccccc1 ZINC000012365473 211356950 /nfs/dbraw/zinc/35/69/50/211356950.db2.gz DSAKUHYNCBIVKU-UHFFFAOYSA-N 0 0 338.794 4.566 10 0 EJAERN OCc1ccc2nc(-c3ccc(Cl)c(C(F)(F)F)c3)oc2c1 ZINC000090727998 217951405 /nfs/dbraw/zinc/95/14/05/217951405.db2.gz RDXORKWPWSCIHD-UHFFFAOYSA-N 0 0 327.689 4.659 10 0 EJAERN CC[C@@H]1CCC2=C(CC(c3ccccc3)(c3ccccc3)O2)C(=O)O1 ZINC000090415606 217928544 /nfs/dbraw/zinc/92/85/44/217928544.db2.gz AEBZVPOTPVKPDN-GOSISDBHSA-N 0 0 334.415 4.720 10 0 EJAERN CCOC(=O)c1nc2ccccc2cc1-c1ccc2ccccc2n1 ZINC000090470954 217931621 /nfs/dbraw/zinc/93/16/21/217931621.db2.gz DDHXTWDTXZCKLM-UHFFFAOYSA-N 0 0 328.371 4.627 10 0 EJAERN COC(=O)c1sc2ncnc(Nc3cccc4ccccc43)c2c1C ZINC000012084643 211288296 /nfs/dbraw/zinc/28/82/96/211288296.db2.gz FGLVHBDOLQUXHU-UHFFFAOYSA-N 0 0 349.415 4.683 10 0 EJAERN COC(=O)c1ccc2c(c1)C1(CC1)C[C@@H](c1cc(F)ccc1C)N2 ZINC000091692156 218049428 /nfs/dbraw/zinc/04/94/28/218049428.db2.gz HVRHHSKKAUIEAE-SFHVURJKSA-N 0 0 325.383 4.509 10 0 EJAERN O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1 ZINC000006091658 210587788 /nfs/dbraw/zinc/58/77/88/210587788.db2.gz BTYQXKURSPAXLT-UHFFFAOYSA-N 0 0 343.597 4.609 10 0 EJAERN C=Cn1c(C(=O)C(F)(F)F)ccc1-c1ccc(Br)cc1 ZINC000005495162 210474397 /nfs/dbraw/zinc/47/43/97/210474397.db2.gz HXPHJXUMUNJXBO-UHFFFAOYSA-N 0 0 344.130 4.763 10 0 EJAERN Cc1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(C(C)(C)C)c1 ZINC000005542115 210485408 /nfs/dbraw/zinc/48/54/08/210485408.db2.gz QYOADKAHGKLITJ-UHFFFAOYSA-N 0 0 325.452 4.927 10 0 EJAERN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1nc(-c2ccccc2)no1 ZINC000096966360 218906263 /nfs/dbraw/zinc/90/62/63/218906263.db2.gz ZLZGOFALVWPPDV-QWHCGFSZSA-N 0 0 327.815 4.802 10 0 EJAERN CSc1nc2ccc(NC(=O)Cc3ccc(C)cc3C)cc2s1 ZINC000005267950 210429540 /nfs/dbraw/zinc/42/95/40/210429540.db2.gz RZXPUTZAWUKCJY-UHFFFAOYSA-N 0 0 342.489 4.816 10 0 EJAERN CC(C)(C)OC(=O)Nc1c2onc(-c3ccccc3)c2ccc1F ZINC000005127372 210395064 /nfs/dbraw/zinc/39/50/64/210395064.db2.gz RNGWUHZJRFASNL-UHFFFAOYSA-N 0 0 328.343 4.981 10 0 EJAERN C[C@H](c1cccs1)c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 ZINC000299742218 258008980 /nfs/dbraw/zinc/00/89/80/258008980.db2.gz IWHMDXFCWMAMSQ-IVMMDQJWSA-N 0 0 326.421 4.528 10 0 EJAERN Fc1ccc(SCc2nnn(C3CC3)c2-c2ccccc2)cc1 ZINC000334163200 258015806 /nfs/dbraw/zinc/01/58/06/258015806.db2.gz WONTWZGQDIEPSA-UHFFFAOYSA-N 0 0 325.412 4.711 10 0 EJAERN C[C@H]1C(=O)N(c2cnc3ccccc3c2)c2cccc(F)c2C1(C)C ZINC000090660240 135642494 /nfs/dbraw/zinc/64/24/94/135642494.db2.gz WWQWPLDEULNUJX-ZDUSSCGKSA-N 0 0 334.394 4.966 10 0 EJAERN CCN1CCSc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc21 ZINC000006802632 135677230 /nfs/dbraw/zinc/67/72/30/135677230.db2.gz RUHBEGWEMOYTBD-UHFFFAOYSA-N 0 0 340.492 4.796 10 0 EJAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C2 ZINC000000133226 563239153 /nfs/dbraw/zinc/23/91/53/563239153.db2.gz BXPOLJAFDWDHFH-MRRJBJDNSA-N 0 0 325.374 4.650 10 0 EJAERN CCOc1ccc(NCn2nc(-c3ccc(C)cc3)oc2=S)cc1 ZINC000005585884 563541079 /nfs/dbraw/zinc/54/10/79/563541079.db2.gz VCRHPBLTZWREKW-UHFFFAOYSA-N 0 0 341.436 4.649 10 0 EJAERN CCc1ccc(NC(=O)/C=C/c2ccc(Br)cc2)cc1 ZINC000006124083 563559273 /nfs/dbraw/zinc/55/92/73/563559273.db2.gz PKRAPNQDYAEZDW-KPKJPENVSA-N 0 0 330.225 4.663 10 0 EJAERN Cc1ccc(NC(=O)N2CCc3nc(-c4ccccc4)sc3C2)cc1 ZINC000064660094 563663126 /nfs/dbraw/zinc/66/31/26/563663126.db2.gz IZORRTFLGAZWPY-UHFFFAOYSA-N 0 0 349.459 4.709 10 0 EJAERN COc1ccc(CN(C[C@@H]2CC=CCC2)C(=S)NC(C)(C)C)cc1 ZINC000017072181 563835644 /nfs/dbraw/zinc/83/56/44/563835644.db2.gz PKKWTYXLOOZCRN-MRXNPFEDSA-N 0 0 346.540 4.527 10 0 EJAERN Cc1cc(NC(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2n1 ZINC000048523978 563930599 /nfs/dbraw/zinc/93/05/99/563930599.db2.gz XGJCNQIEHUPXTE-UHFFFAOYSA-N 0 0 325.799 4.571 10 0 EJAERN CCOC(=O)c1c(C)nc(-c2ccc(Cl)cc2)cc1C(F)(F)F ZINC000409430493 563962056 /nfs/dbraw/zinc/96/20/56/563962056.db2.gz WFNKJZLNSUPZQJ-UHFFFAOYSA-N 0 0 343.732 4.906 10 0 EJAERN Brc1c2nc3ccccc3nc2oc1-c1cccs1 ZINC000409438009 563962178 /nfs/dbraw/zinc/96/21/78/563962178.db2.gz BSJRWVJRSXVPEO-UHFFFAOYSA-N 0 0 331.194 4.867 10 0 EJAERN CCOC(=O)c1sc2ncnc(Nc3ccc(C)cc3C)c2c1C ZINC000000215341 563988646 /nfs/dbraw/zinc/98/86/46/563988646.db2.gz UOKMMMVCRSDMKA-UHFFFAOYSA-N 0 0 341.436 4.537 10 0 EJAERN Cc1cc(C)n2c(nc(-c3ccc(F)cc3)c2NC2CCCCC2)n1 ZINC000000320566 563991099 /nfs/dbraw/zinc/99/10/99/563991099.db2.gz QLNFASPTILRZBI-UHFFFAOYSA-N 0 0 338.430 4.897 10 0 EJAERN COc1ccc2c(c1)c(C=O)cn2Cc1ccc(C(F)(F)F)cc1 ZINC000169676277 564017149 /nfs/dbraw/zinc/01/71/49/564017149.db2.gz KTMGSOAGUXFEDU-UHFFFAOYSA-N 0 0 333.309 4.530 10 0 EJAERN CCc1nc2cc(Br)cc(Br)c2c(C)c1C ZINC000669371989 564084053 /nfs/dbraw/zinc/08/40/53/564084053.db2.gz FXWABLUDLPTOCO-UHFFFAOYSA-N 0 0 343.062 4.939 10 0 EJAERN CC1=C(C#N)[C@@H](c2ccc(-c3ccccc3)s2)C2=C(CCCC2=O)N1 ZINC000048534161 564129317 /nfs/dbraw/zinc/12/93/17/564129317.db2.gz DALYHXKYQBOYGB-FQEVSTJZSA-N 0 0 346.455 4.907 10 0 EJAERN CC(C)CCNC(=O)c1ccc(CSCc2cccc(F)c2)o1 ZINC000003059422 564154833 /nfs/dbraw/zinc/15/48/33/564154833.db2.gz RMISNYRYBQSEDD-UHFFFAOYSA-N 0 0 335.444 4.628 10 0 EJAERN CCC(C)(CC)C(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685958526 564177038 /nfs/dbraw/zinc/17/70/38/564177038.db2.gz FMSDXVZFJHKKHG-UHFFFAOYSA-N 0 0 333.472 4.819 10 0 EJAERN CC(C)CCC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960359 564177085 /nfs/dbraw/zinc/17/70/85/564177085.db2.gz GHTNSFBKUODIGH-UHFFFAOYSA-N 0 0 333.472 4.819 10 0 EJAERN C[C@@H](CCc1ccccc1)NC(=O)c1cc2sc(Cl)cc2n1C ZINC000006804704 201698840 /nfs/dbraw/zinc/69/88/40/201698840.db2.gz DZJGSPVRVJQASN-LBPRGKRZSA-N 0 0 346.883 4.644 10 0 EJAERN CC(=O)c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1 ZINC000052924057 214154933 /nfs/dbraw/zinc/15/49/33/214154933.db2.gz MAVNZBKSWTUIEW-UHFFFAOYSA-N 0 0 333.103 4.931 10 0 EJAERN O[C@H](Cc1cc(Br)ccc1F)c1ccc(Cl)cc1 ZINC000053781991 214197717 /nfs/dbraw/zinc/19/77/17/214197717.db2.gz KPPGBDYXOJCVPC-CQSZACIVSA-N 0 0 329.596 4.518 10 0 EJAERN Cc1ccc([C@@H]([NH2+]Cc2ccccc2)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000053995103 214210148 /nfs/dbraw/zinc/21/01/48/214210148.db2.gz FPLVGQAIYDGXMD-FGZHOGPDSA-N 0 0 345.442 4.694 10 0 EJAERN Clc1nc(Cc2ccccc2Br)nc2sccc21 ZINC000055334442 214308930 /nfs/dbraw/zinc/30/89/30/214308930.db2.gz HVQLXVRGFUZRBE-UHFFFAOYSA-N 0 0 339.645 4.698 10 0 EJAERN CCCC(=O)c1ccc(NCc2c(C)nn(C(C)(C)C)c2C)cc1 ZINC000098180221 219086351 /nfs/dbraw/zinc/08/63/51/219086351.db2.gz KTHROGQUWJWPME-UHFFFAOYSA-N 0 0 327.472 4.850 10 0 EJAERN O=c1cc(-c2ccc(N3CCCC3)cc2)oc2c3[nH]ccc3ccc12 ZINC000100105743 219091619 /nfs/dbraw/zinc/09/16/19/219091619.db2.gz UTKQGYIXJPIWJL-UHFFFAOYSA-N 0 0 330.387 4.542 10 0 EJAERN Cc1ccc2c(c1)N(C(C)C)C(=O)CC(c1ccccc1Cl)=N2 ZINC000100898261 219111174 /nfs/dbraw/zinc/11/11/74/219111174.db2.gz BUNKPYPGXOQISK-UHFFFAOYSA-N 0 0 326.827 4.914 10 0 EJAERN CCc1ccc(NC(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000065000244 214822055 /nfs/dbraw/zinc/82/20/55/214822055.db2.gz LSEHDXLPZYAFRF-UHFFFAOYSA-N 0 0 338.632 4.917 10 0 EJAERN CN(C)/C=C1/c2ccccc2N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000101312368 219121461 /nfs/dbraw/zinc/12/14/61/219121461.db2.gz PJERYLOUCRZXMY-GDNBJRDFSA-N 0 0 333.218 4.574 10 0 EJAERN O=C(COc1ccc(Br)cc1F)c1ccccc1Cl ZINC000048403871 213937351 /nfs/dbraw/zinc/93/73/51/213937351.db2.gz DZOMBMHDNIHTSM-UHFFFAOYSA-N 0 0 343.579 4.503 10 0 EJAERN Fc1ccc(-c2nc3ccccc3n2CCOc2ccccc2)cc1 ZINC000008787371 201762745 /nfs/dbraw/zinc/76/27/45/201762745.db2.gz LLZZCXZYPKBQTA-UHFFFAOYSA-N 0 0 332.378 4.921 10 0 EJAERN COc1cc(C=O)cc(Oc2ccccc2-c2ccccc2)c1OC ZINC000004227112 210146290 /nfs/dbraw/zinc/14/62/90/210146290.db2.gz MGZWZGPKPSZMPH-UHFFFAOYSA-N 0 0 334.371 4.976 10 0 EJAERN Cc1ccc(OCC(=O)c2ccccc2Cl)c(Br)c1 ZINC000047821050 213869968 /nfs/dbraw/zinc/86/99/68/213869968.db2.gz FTAVOYSIZROEGI-UHFFFAOYSA-N 0 0 339.616 4.673 10 0 EJAERN Cc1cnc(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)n1C ZINC000066075568 215006989 /nfs/dbraw/zinc/00/69/89/215006989.db2.gz VGOLBDFOHREJOB-UHFFFAOYSA-N 0 0 333.222 4.841 10 0 EJAERN CCN/C(C)=C/c1nsc(Nc2ccc(Cl)cc2Cl)n1 ZINC000103573559 219314736 /nfs/dbraw/zinc/31/47/36/219314736.db2.gz RRMDDNUXGDMRKP-SOFGYWHQSA-N 0 0 329.256 4.559 10 0 EJAERN CCCN/C(C)=C/c1nsc(Nc2ccc(Cl)cc2Cl)n1 ZINC000103573568 219314675 /nfs/dbraw/zinc/31/46/75/219314675.db2.gz NAWVIRUSZPQGJU-VQHVLOKHSA-N 0 0 343.283 4.949 10 0 EJAERN CC[C@H](C)C[C@@H](O)c1ccc(Br)cc1C(F)(F)F ZINC000103932286 219330470 /nfs/dbraw/zinc/33/04/70/219330470.db2.gz NXNLVUSYBSZNRM-QPUJVOFHSA-N 0 0 325.168 4.938 10 0 EJAERN CCC[C@@H]1CCC(=O)[C@H](Cc2ccc(F)cc2Br)C1 ZINC000103937249 219330550 /nfs/dbraw/zinc/33/05/50/219330550.db2.gz LRRQTGMBTKNSKI-YPMHNXCESA-N 0 0 327.237 4.916 10 0 EJAERN CC[C@@H](C)C[C@H](O)c1ccc(Br)cc1C(F)(F)F ZINC000103932276 219330555 /nfs/dbraw/zinc/33/05/55/219330555.db2.gz NXNLVUSYBSZNRM-PELKAZGASA-N 0 0 325.168 4.938 10 0 EJAERN CC[C@H](C)C[C@H](O)c1ccc(Br)cc1C(F)(F)F ZINC000103932279 219330556 /nfs/dbraw/zinc/33/05/56/219330556.db2.gz NXNLVUSYBSZNRM-UFBFGSQYSA-N 0 0 325.168 4.938 10 0 EJAERN Cc1cc(Cl)ccc1OCCNc1ccccc1Br ZINC000104003895 219337686 /nfs/dbraw/zinc/33/76/86/219337686.db2.gz OCVMOZGVJGMKBF-UHFFFAOYSA-N 0 0 340.648 4.902 10 0 EJAERN C[C@@H](CNc1ccccc1)Oc1ccc(Cl)cc1Br ZINC000104009548 219338035 /nfs/dbraw/zinc/33/80/35/219338035.db2.gz AQJBSUAEVCHCEK-NSHDSACASA-N 0 0 340.648 4.982 10 0 EJAERN CC[C@@H]1CCCC[C@@H]1OCCNc1ccccc1Br ZINC000104014740 219339010 /nfs/dbraw/zinc/33/90/10/219339010.db2.gz OLDQSNUREBLGQF-CJNGLKHVSA-N 0 0 326.278 4.846 10 0 EJAERN CNc1c2c(nc3c(Cl)ccc(Br)c31)CCCC2 ZINC000104019163 219339441 /nfs/dbraw/zinc/33/94/41/219339441.db2.gz AUWXRLMSKHBQFC-UHFFFAOYSA-N 0 0 325.637 4.571 10 0 EJAERN O[C@@H](c1cc2c(s1)CCCCC2)c1ccc(Br)cc1 ZINC000104021716 219339874 /nfs/dbraw/zinc/33/98/74/219339874.db2.gz SYAZXMUNNAZHJO-MRXNPFEDSA-N 0 0 337.282 4.861 10 0 EJAERN Ic1ccc(N[C@H](c2ccccc2)C2CC2)cc1 ZINC000104027512 219340327 /nfs/dbraw/zinc/34/03/27/219340327.db2.gz LNQWLQYTMOUGLC-MRXNPFEDSA-N 0 0 349.215 4.854 10 0 EJAERN Cc1cc(Br)ccc1OCc1cc(N)ccc1Cl ZINC000103970524 219334341 /nfs/dbraw/zinc/33/43/41/219334341.db2.gz HLOMUIUWZPWVJR-UHFFFAOYSA-N 0 0 326.621 4.572 10 0 EJAERN CCc1ccc([C@@H]2C[C@@H](c3ccc(CC)cc3)n3ncnc3N2)cc1 ZINC000002487930 209857029 /nfs/dbraw/zinc/85/70/29/209857029.db2.gz NPYGNTLMOAMUAM-PMACEKPBSA-N 0 0 332.451 4.549 10 0 EJAERN Cc1ccc(C(=O)Nc2ccnc3c2cccc3C(F)(F)F)cc1 ZINC000041057633 213411835 /nfs/dbraw/zinc/41/18/35/213411835.db2.gz DVBFKUBNNQPWDU-UHFFFAOYSA-N 0 0 330.309 4.814 10 0 EJAERN C[C@@H](O)c1ccc(N(C)C2CCCCCC2)c(Br)c1 ZINC000104172563 219354593 /nfs/dbraw/zinc/35/45/93/219354593.db2.gz RCFGRZSEMGXULK-GFCCVEGCSA-N 0 0 326.278 4.661 10 0 EJAERN Cc1cc(Br)ccc1Oc1ccc(F)cc1[C@@H](C)O ZINC000104162458 219354664 /nfs/dbraw/zinc/35/46/64/219354664.db2.gz ZPBXLXASUCWIPT-SNVBAGLBSA-N 0 0 325.177 4.742 10 0 EJAERN O=C(/C=C/c1cccs1)Nc1ccnc2ccc(C(F)(F)F)cc21 ZINC000041057192 213411476 /nfs/dbraw/zinc/41/14/76/213411476.db2.gz RVQSKRCPWWMLNP-GQCTYLIASA-N 0 0 348.349 4.967 10 0 EJAERN Cc1cc(C(=O)Nc2ccnc3cc(Cl)ccc32)c2ccccc2n1 ZINC000041057818 213411488 /nfs/dbraw/zinc/41/14/88/213411488.db2.gz TYADHGCGPMDJOC-UHFFFAOYSA-N 0 0 347.805 4.997 10 0 EJAERN Cc1cc(C=O)cc(C)c1OCc1sccc1Br ZINC000104180630 219355506 /nfs/dbraw/zinc/35/55/06/219355506.db2.gz KUWWNBDVTSZODW-UHFFFAOYSA-N 0 0 325.227 4.519 10 0 EJAERN Cc1ccc(C[C@@H](O)c2ccc(Br)cc2Cl)cc1 ZINC000104180289 219355616 /nfs/dbraw/zinc/35/56/16/219355616.db2.gz TXNCJSBVXOUGMN-OAHLLOKOSA-N 0 0 325.633 4.687 10 0 EJAERN Cc1cc(Br)ccc1Oc1c(F)cc(C=O)cc1F ZINC000104185670 219356936 /nfs/dbraw/zinc/35/69/36/219356936.db2.gz PUBTYWAVUCDLSZ-UHFFFAOYSA-N 0 0 327.124 4.641 10 0 EJAERN CCc1c(Cl)ncnc1Nc1ccc(C)c(Br)c1 ZINC000104218564 219361782 /nfs/dbraw/zinc/36/17/82/219361782.db2.gz BIILFPISTRTMKG-UHFFFAOYSA-N 0 0 326.625 4.507 10 0 EJAERN CNc1c(C)c(C(F)(F)F)nc2c(Br)cc(C)cc21 ZINC000104220265 219362233 /nfs/dbraw/zinc/36/22/33/219362233.db2.gz ASHAGMGAJWBGLA-UHFFFAOYSA-N 0 0 333.151 4.675 10 0 EJAERN COC(=O)c1c(NC(=O)C(C)(C)C)sc(C)c1-c1ccc(F)cc1 ZINC000040939168 213402178 /nfs/dbraw/zinc/40/21/78/213402178.db2.gz LLUBMGGZAIFOHE-UHFFFAOYSA-N 0 0 349.427 4.634 10 0 EJAERN Cc1ccc(Sc2ncnc(Nc3cccc(Cl)c3)c2N)cc1 ZINC000040781762 213385881 /nfs/dbraw/zinc/38/58/81/213385881.db2.gz OUXOQJLAKYWPNB-UHFFFAOYSA-N 0 0 342.855 4.915 10 0 EJAERN Nc1c(Nc2ccccc2)ncnc1Nc1cccc(Cl)c1Cl ZINC000040778527 213385954 /nfs/dbraw/zinc/38/59/54/213385954.db2.gz HLHKMDMKRPRAQC-UHFFFAOYSA-N 0 0 346.221 4.853 10 0 EJAERN Cc1cc(Oc2ncnc(Sc3ccccc3)c2N)ccc1Cl ZINC000040783215 213387105 /nfs/dbraw/zinc/38/71/05/213387105.db2.gz GQRSRTRGAMRVQI-UHFFFAOYSA-N 0 0 343.839 4.964 10 0 EJAERN Cc1ccc(Cl)cc1Nc1ncnc(Nc2ccccc2F)c1N ZINC000040704891 213372301 /nfs/dbraw/zinc/37/23/01/213372301.db2.gz BFEGCLSMWDFJGG-UHFFFAOYSA-N 0 0 343.793 4.647 10 0 EJAERN Cc1ccc(Oc2ncnc(Nc3ccc(Cl)cc3C)c2N)cc1 ZINC000040703394 213371473 /nfs/dbraw/zinc/37/14/73/213371473.db2.gz PNCLAVUQIFBPPV-UHFFFAOYSA-N 0 0 340.814 4.865 10 0 EJAERN CCc1ccccc1Nc1ncnc(Nc2ccc(Cl)cc2)c1N ZINC000040688273 213369422 /nfs/dbraw/zinc/36/94/22/213369422.db2.gz BAAITRMSIDYGNZ-UHFFFAOYSA-N 0 0 339.830 4.762 10 0 EJAERN Fc1ccc(OCc2ccc(F)c(Br)c2)cc1Cl ZINC000104409365 219384405 /nfs/dbraw/zinc/38/44/05/219384405.db2.gz HRXUGWRWPXXOMX-UHFFFAOYSA-N 0 0 333.559 4.960 10 0 EJAERN Cc1cccc(Nc2ncnc(Nc3cc(Cl)ccc3C)c2N)c1 ZINC000040704931 213372093 /nfs/dbraw/zinc/37/20/93/213372093.db2.gz BHFRFBMKSHFAMN-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN CC(C)c1ccc(Nc2ncnc(N(C)c3ccccc3)c2N)cc1 ZINC000040706089 213371725 /nfs/dbraw/zinc/37/17/25/213371725.db2.gz UXTBELIJSXWBIE-UHFFFAOYSA-N 0 0 333.439 4.694 10 0 EJAERN Cc1cccc(Nc2ncnc(Nc3cccc(Cl)c3C)c2N)c1 ZINC000040701575 213371771 /nfs/dbraw/zinc/37/17/71/213371771.db2.gz XBDQJFRNWFWSNS-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN Cc1cc(C)cc(Oc2ncnc(Nc3cccc(C)c3C)c2N)c1 ZINC000040681374 213367681 /nfs/dbraw/zinc/36/76/81/213367681.db2.gz BCJNYVFDXKHSNU-UHFFFAOYSA-N 0 0 334.423 4.828 10 0 EJAERN CCN(c1ccccc1)c1ncnc(Oc2cc(C)cc(C)c2)c1N ZINC000040679375 213368249 /nfs/dbraw/zinc/36/82/49/213368249.db2.gz FAYGAIHUQZKYAI-UHFFFAOYSA-N 0 0 334.423 4.626 10 0 EJAERN CCN(c1ccccc1)c1ncnc(Sc2ccc(C)cc2)c1N ZINC000040679661 213368259 /nfs/dbraw/zinc/36/82/59/213368259.db2.gz SUQTWORODDKYHM-UHFFFAOYSA-N 0 0 336.464 4.676 10 0 EJAERN Nc1c(Oc2ccccc2)ncnc1Oc1cccc2ccccc21 ZINC000040683350 213367896 /nfs/dbraw/zinc/36/78/96/213367896.db2.gz SWDNAHSYWNXFGJ-UHFFFAOYSA-N 0 0 329.359 4.797 10 0 EJAERN OCc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1 ZINC000104426696 219386480 /nfs/dbraw/zinc/38/64/80/219386480.db2.gz INHRSEDZJBECSK-UHFFFAOYSA-N 0 0 331.568 4.526 10 0 EJAERN CCOc1ccccc1/C=C/C(=O)Nc1ccc(N(CC)CC)cc1 ZINC000001986529 209808880 /nfs/dbraw/zinc/80/88/80/209808880.db2.gz DKPUWMNOZIVPBP-LFIBNONCSA-N 0 0 338.451 4.583 10 0 EJAERN COCCCn1c(COc2ccc(C)cc2)nc2cc(Cl)ccc21 ZINC000040402917 213299249 /nfs/dbraw/zinc/29/92/49/213299249.db2.gz ZAXGNATZRYZKSD-UHFFFAOYSA-N 0 0 344.842 4.614 10 0 EJAERN CCOCCn1c(Cc2ccc(Cl)cc2)nc2ccc(Cl)cc21 ZINC000040405116 213298560 /nfs/dbraw/zinc/29/85/60/213298560.db2.gz YWIZSHRDROFPCR-UHFFFAOYSA-N 0 0 349.261 4.970 10 0 EJAERN Cc1cc(NC(=O)/C=C/c2ccco2)c2ccc(Cl)c(C)c2n1 ZINC000040359562 213293326 /nfs/dbraw/zinc/29/33/26/213293326.db2.gz HJWMLAZVULCNND-VMPITWQZSA-N 0 0 326.783 4.750 10 0 EJAERN Cc1cc2nc(CCCO)n(Cc3cccc4ccccc43)c2cc1C ZINC000040310981 213291471 /nfs/dbraw/zinc/29/14/71/213291471.db2.gz ALHFAHFTDWZTMO-UHFFFAOYSA-N 0 0 344.458 4.780 10 0 EJAERN CCCCCCn1c(CNC(=O)c2cccc(C)c2)nc2ccccc21 ZINC000040276875 213287236 /nfs/dbraw/zinc/28/72/36/213287236.db2.gz DLOPVNPFQYIJPQ-UHFFFAOYSA-N 0 0 349.478 4.855 10 0 EJAERN COc1cccc(-c2nc3ccccc3n2CCOc2ccccc2)c1 ZINC000040250126 213284792 /nfs/dbraw/zinc/28/47/92/213284792.db2.gz YFZGYCVHTNWTME-UHFFFAOYSA-N 0 0 344.414 4.791 10 0 EJAERN COCc1nc2ccccc2n1CCCOc1ccc(C(C)C)cc1 ZINC000040232058 213283215 /nfs/dbraw/zinc/28/32/15/213283215.db2.gz ZKIVMNYGADJDMI-UHFFFAOYSA-N 0 0 338.451 4.775 10 0 EJAERN Cc1ccc(OCCCn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000040231861 213283319 /nfs/dbraw/zinc/28/33/19/213283319.db2.gz CCUVICVNAVPMQU-UHFFFAOYSA-N 0 0 334.341 4.833 10 0 EJAERN COCc1nc2ccccc2n1CCOc1cc(C)c(Cl)c(C)c1 ZINC000040232015 213283701 /nfs/dbraw/zinc/28/37/01/213283701.db2.gz TZXKUXNNMUFWFG-UHFFFAOYSA-N 0 0 344.842 4.532 10 0 EJAERN CCOC(=O)Cn1c2ccccc2nc1-c1ccc(Cl)cc1Cl ZINC000040210989 213281482 /nfs/dbraw/zinc/28/14/82/213281482.db2.gz CPPLGQGCPMYWQU-UHFFFAOYSA-N 0 0 349.217 4.573 10 0 EJAERN CCCCCn1c(CCCCCNC(=O)C(C)C)nc2ccccc21 ZINC000040211728 213281354 /nfs/dbraw/zinc/28/13/54/213281354.db2.gz RGFNBMVOXSQWQF-UHFFFAOYSA-N 0 0 343.515 4.712 10 0 EJAERN Cc1cccc(Oc2ccc(C(=O)N3CCc4ccccc4C3)cc2)c1 ZINC000040178969 213279418 /nfs/dbraw/zinc/27/94/18/213279418.db2.gz WNWIDWWIIXTFKT-UHFFFAOYSA-N 0 0 343.426 4.986 10 0 EJAERN CC(C)(C)[C@@H]1CCCC[C@]1(O)Cc1ccccc1Br ZINC000037530033 202007357 /nfs/dbraw/zinc/00/73/57/202007357.db2.gz VDZCBDOJJVBOOY-RDJZCZTQSA-N 0 0 325.290 4.959 10 0 EJAERN CC1(C)CC/C(=C/c2ccc(Cl)cc2)C[C@]1(O)Cn1ccnc1 ZINC000039422347 213236736 /nfs/dbraw/zinc/23/67/36/213236736.db2.gz DMYSWZSVMPWRKX-QMDZLVRISA-N 0 0 330.859 4.561 10 0 EJAERN COc1cccc(-c2csc(NC(=O)c3c[nH]c4ccccc43)n2)c1 ZINC000038575521 213216298 /nfs/dbraw/zinc/21/62/98/213216298.db2.gz BLYVCWWICSPKCR-UHFFFAOYSA-N 0 0 349.415 4.552 10 0 EJAERN COc1cccc(NC(=S)N(Cc2ccco2)C2CCCCC2)c1 ZINC000020274472 202036750 /nfs/dbraw/zinc/03/67/50/202036750.db2.gz QUKJRZBNMFHLAM-UHFFFAOYSA-N 0 0 344.480 4.820 10 0 EJAERN Cc1ccc(-c2nc3ncccn3c2NCc2ccc(Cl)cc2)cc1 ZINC000020996871 202060849 /nfs/dbraw/zinc/06/08/49/202060849.db2.gz VCKGWJCUUZAQND-UHFFFAOYSA-N 0 0 348.837 4.970 10 0 EJAERN COc1cc(Br)cc(C)c1N[C@@H](C)c1scnc1C ZINC000037776793 213166759 /nfs/dbraw/zinc/16/67/59/213166759.db2.gz OUFPOIUCJYCLBR-JTQLQIEISA-N 0 0 341.274 4.704 10 0 EJAERN C[C@H]1C[C@H](OCc2ccc(N)cc2Br)CC(C)(C)C1 ZINC000037516171 213152626 /nfs/dbraw/zinc/15/26/26/213152626.db2.gz FROBCPNNETWZNA-FZMZJTMJSA-N 0 0 326.278 4.763 10 0 EJAERN CC(C)c1ccc(OCC(=O)c2sccc2Br)cc1 ZINC000037347257 213140170 /nfs/dbraw/zinc/14/01/70/213140170.db2.gz FUMQLLDKUIBSHW-UHFFFAOYSA-N 0 0 339.254 4.896 10 0 EJAERN Oc1cccc2c(NCc3csc(Br)c3)cccc12 ZINC000037133504 213134116 /nfs/dbraw/zinc/13/41/16/213134116.db2.gz NWDQYHQHRLTGEW-UHFFFAOYSA-N 0 0 334.238 4.982 10 0 EJAERN CCCCC[C@@H](C)Nc1cc2c(cc1Br)OCCO2 ZINC000036954644 213127452 /nfs/dbraw/zinc/12/74/52/213127452.db2.gz GNNMHMIYXYEZAY-LLVKDONJSA-N 0 0 328.250 4.601 10 0 EJAERN Cc1cc(Br)cc(C)c1NCc1cccc(F)c1F ZINC000036888525 213126523 /nfs/dbraw/zinc/12/65/23/213126523.db2.gz NHACJNRLDFMXEX-UHFFFAOYSA-N 0 0 326.184 4.956 10 0 EJAERN CC(C)c1ccc(OCC(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000036695310 213109905 /nfs/dbraw/zinc/10/99/05/213109905.db2.gz ILKWTKFOFHWOBA-UHFFFAOYSA-N 0 0 344.411 4.576 10 0 EJAERN Cc1nc(NC(=O)C(C)C)sc1Cc1cccc(C(F)(F)F)c1 ZINC000036639349 213106269 /nfs/dbraw/zinc/10/62/69/213106269.db2.gz BGCIWOXHYBNHRX-UHFFFAOYSA-N 0 0 342.386 4.656 10 0 EJAERN Cc1nc(NC(=O)C2CC2)sc1Cc1ccc(Cl)c(Cl)c1 ZINC000036639375 213106074 /nfs/dbraw/zinc/10/60/74/213106074.db2.gz RTTNZUIVMCOQPD-UHFFFAOYSA-N 0 0 341.263 4.698 10 0 EJAERN Nc1cccc(Br)c1CSc1cc(F)ccc1F ZINC000035676227 213045226 /nfs/dbraw/zinc/04/52/26/213045226.db2.gz AKERWKSWUDLFTK-UHFFFAOYSA-N 0 0 330.197 4.602 10 0 EJAERN O=C(/C=C\c1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000033319067 202257016 /nfs/dbraw/zinc/25/70/16/202257016.db2.gz LJODRYXVJVTDNX-NXVVXOECSA-N 0 0 342.398 4.591 10 0 EJAERN COc1ccc(CNc2ccc(Cl)cc2F)cc1Br ZINC000035039961 213005804 /nfs/dbraw/zinc/00/58/04/213005804.db2.gz UGTUQXPJOSKTKC-UHFFFAOYSA-N 0 0 344.611 4.862 10 0 EJAERN O=C(CSc1ccc(F)c(F)c1)c1ccccc1Br ZINC000035013957 213004423 /nfs/dbraw/zinc/00/44/23/213004423.db2.gz OUPGBLSIJSFNHE-UHFFFAOYSA-N 0 0 343.192 4.702 10 0 EJAERN CCCC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907651 212997106 /nfs/dbraw/zinc/99/71/06/212997106.db2.gz TTXJEFFZGTYVDW-SFHVURJKSA-N 0 0 334.419 4.958 10 0 EJAERN O=C(C=Cc1ccccc1)O[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000033420515 212938191 /nfs/dbraw/zinc/93/81/91/212938191.db2.gz GMIIBLUETWDOTO-AXESWEIFSA-N 0 0 342.394 4.867 10 0 EJAERN Cc1ccc(/C=C\C(=O)NCCC(c2ccccc2)c2ccccc2)o1 ZINC000033339949 212928586 /nfs/dbraw/zinc/92/85/86/212928586.db2.gz LBPWEULWODIZHN-PFONDFGASA-N 0 0 345.442 4.940 10 0 EJAERN CC(C)c1ccc(-n2ccc(NC(=O)/C=C/c3ccccc3)n2)cc1 ZINC000034909308 202280006 /nfs/dbraw/zinc/28/00/06/202280006.db2.gz GEADPAJZKJLNAT-MDWZMJQESA-N 0 0 331.419 4.648 10 0 EJAERN Clc1ncnc2cc(-c3cccc(Br)c3)sc21 ZINC000036929348 202334907 /nfs/dbraw/zinc/33/49/07/202334907.db2.gz FAQCDGZOONQXCI-UHFFFAOYSA-N 0 0 325.618 4.774 10 0 EJAERN CCCC(=O)Nc1nc(C)c(Cc2cccc(C(F)(F)F)c2)s1 ZINC000036639187 202328033 /nfs/dbraw/zinc/32/80/33/202328033.db2.gz PZLOAGXBSLYULJ-UHFFFAOYSA-N 0 0 342.386 4.800 10 0 EJAERN CC(C)(C)c1cc(Cl)nc(Cc2cccc(Br)c2)n1 ZINC000036766172 202330881 /nfs/dbraw/zinc/33/08/81/202330881.db2.gz FMSYQALXIVHEKU-UHFFFAOYSA-N 0 0 339.664 4.781 10 0 EJAERN Fc1ccc(Br)cc1NCc1c(F)cccc1Cl ZINC000036750953 213116087 /nfs/dbraw/zinc/11/60/87/213116087.db2.gz NVOWHSSRPYHAFX-UHFFFAOYSA-N 0 0 332.575 4.993 10 0 EJAERN Fc1cc(F)c(NCc2cccc(Cl)c2)c(Br)c1 ZINC000037392691 202340138 /nfs/dbraw/zinc/34/01/38/202340138.db2.gz BUPGFZLZXYPZAJ-UHFFFAOYSA-N 0 0 332.575 4.993 10 0 EJAERN Cc1nn(C)c(Cl)c1COc1c(Cl)cc(Cl)cc1Cl ZINC000037515495 202345102 /nfs/dbraw/zinc/34/51/02/202345102.db2.gz FLNGKXCMMMSAND-UHFFFAOYSA-N 0 0 340.037 4.921 10 0 EJAERN N[C@H](c1cc2cc(Cl)ccc2o1)c1ccc(Br)s1 ZINC000038002195 202384508 /nfs/dbraw/zinc/38/45/08/202384508.db2.gz XGSVHKGOAZDMQL-CYBMUJFWSA-N 0 0 342.645 4.958 10 0 EJAERN Nc1cc(F)c(Oc2ccc(Cl)cc2Br)c(F)c1 ZINC000038040289 202389139 /nfs/dbraw/zinc/38/91/39/202389139.db2.gz IQAQSQDBTBPXQU-UHFFFAOYSA-N 0 0 334.547 4.755 10 0 EJAERN Cc1cc(Oc2ncnc(N3CCCCCC3)c2N)cc(C)c1Cl ZINC000040725640 202461460 /nfs/dbraw/zinc/46/14/60/202461460.db2.gz YQMQQZFUQLNLPQ-UHFFFAOYSA-N 0 0 346.862 4.502 10 0 EJAERN Cc1ccc(Br)cc1NC[C@@H](O)c1ccc(Cl)cc1 ZINC000037893625 213172900 /nfs/dbraw/zinc/17/29/00/213172900.db2.gz NFEOQQBSALKAGR-OAHLLOKOSA-N 0 0 340.648 4.556 10 0 EJAERN COc1ccc(-c2cnc(-c3c(O)c(C)nc4ccccc43)o2)cc1 ZINC000000053812 209391479 /nfs/dbraw/zinc/39/14/79/209391479.db2.gz CSSKAXZUWOYTFA-UHFFFAOYSA-N 0 0 332.359 4.579 10 0 EJAERN Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(C)C)cc3)c(=O)[nH]2)cc1 ZINC000072451035 216238367 /nfs/dbraw/zinc/23/83/67/216238367.db2.gz DODZEJJOGGJLAJ-UHFFFAOYSA-N 0 0 346.430 4.726 10 0 EJAERN Cc1ccc(Nc2nccc(-c3ccc(Br)cc3)n2)cc1 ZINC000072443522 216235952 /nfs/dbraw/zinc/23/59/52/216235952.db2.gz XEDUBIBZIXAVGT-UHFFFAOYSA-N 0 0 340.224 4.958 10 0 EJAERN Clc1cccc(/C=C/c2ccnc(N3CCc4ccccc43)n2)c1 ZINC000072443626 216236055 /nfs/dbraw/zinc/23/60/55/216236055.db2.gz PFTGIBPTZOQVON-CMDGGOBGSA-N 0 0 333.822 4.995 10 0 EJAERN Brc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1 ZINC000072443507 216236762 /nfs/dbraw/zinc/23/67/62/216236762.db2.gz HOIKTUNZGRBKLE-UHFFFAOYSA-N 0 0 326.197 4.650 10 0 EJAERN Clc1ccc(-c2nnc3nc(-c4ccc(Cl)cc4)ccn32)cc1 ZINC000072467840 216247604 /nfs/dbraw/zinc/24/76/04/216247604.db2.gz AVKYDMYGWNSHFM-UHFFFAOYSA-N 0 0 341.201 4.765 10 0 EJAERN O=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccn1 ZINC000027526826 212561580 /nfs/dbraw/zinc/56/15/80/212561580.db2.gz FKMLCZZQZXGRCM-UHFFFAOYSA-N 0 0 337.810 4.974 10 0 EJAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc(Cl)sc1Cl ZINC000073434375 216386896 /nfs/dbraw/zinc/38/68/96/216386896.db2.gz ZGROTFCZSSDWKW-NKWVEPMBSA-N 0 0 346.201 4.906 10 0 EJAERN CCCCC(=O)c1ccc2[nH]c(-c3ccccc3-c3ncc[nH]3)nc2c1 ZINC000090425265 201371501 /nfs/dbraw/zinc/37/15/01/201371501.db2.gz NVDMJCCLJCLXGS-UHFFFAOYSA-N 0 0 344.418 4.993 10 0 EJAERN Nc1ccccc1Oc1nc(Cl)nc2c3ccccc3sc21 ZINC000073736365 216418896 /nfs/dbraw/zinc/41/88/96/216418896.db2.gz QXUGYXWTNUQNLP-UHFFFAOYSA-N 0 0 327.796 4.872 10 0 EJAERN Cc1nnc(Oc2ccc(F)cc2Br)c2ccccc12 ZINC000024340079 212418556 /nfs/dbraw/zinc/41/85/56/212418556.db2.gz ZQFRHKXLVHTLRN-UHFFFAOYSA-N 0 0 333.160 4.632 10 0 EJAERN Cc1cc(C(=O)N2CCc3ccccc3[C@@H]2c2ccc(C)cc2)c(C)o1 ZINC000023304028 212367260 /nfs/dbraw/zinc/36/72/60/212367260.db2.gz JAPNQVXNKUNRBA-QFIPXVFZSA-N 0 0 345.442 4.993 10 0 EJAERN CC(C)OC(=O)Cc1cc2c(nc(-c3ccccc3)nc2Cl)s1 ZINC000211451248 241080560 /nfs/dbraw/zinc/08/05/60/241080560.db2.gz ONEKDVNIUOSKMF-UHFFFAOYSA-N 0 0 346.839 4.506 10 0 EJAERN O=C(c1sc(Cl)nc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000216962398 241228577 /nfs/dbraw/zinc/22/85/77/241228577.db2.gz JQHKNGSTTYTULQ-UHFFFAOYSA-N 0 0 326.126 4.700 10 0 EJAERN O=Cc1ccc(Oc2ccc(Cl)cc2Br)c(F)c1 ZINC000021806931 212253804 /nfs/dbraw/zinc/25/38/04/212253804.db2.gz MLFDFIMNBHYHQC-UHFFFAOYSA-N 0 0 329.552 4.846 10 0 EJAERN CCCOC(=O)c1ccc(Nc2ncnc3sc(C)c(C)c32)cc1 ZINC000001972923 201523490 /nfs/dbraw/zinc/52/34/90/201523490.db2.gz KDRYBVGTNVKELY-UHFFFAOYSA-N 0 0 341.436 4.619 10 0 EJAERN Oc1ccc(OCCCCCCCCOc2ccc(O)cc2)cc1 ZINC000021300006 212219021 /nfs/dbraw/zinc/21/90/21/212219021.db2.gz YMUQWGPUALDMSA-UHFFFAOYSA-N 0 0 330.424 4.896 10 0 EJAERN CC[C@@H](C)C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000021142293 212210945 /nfs/dbraw/zinc/21/09/45/212210945.db2.gz CUPJIHAYZWTGSG-LLVKDONJSA-N 0 0 327.815 4.868 10 0 EJAERN CC(C)c1ccc2nc(NC(=O)Cc3ccc(F)cc3)sc2c1 ZINC000005268492 201645365 /nfs/dbraw/zinc/64/53/65/201645365.db2.gz IORIQSBYBCSXMF-UHFFFAOYSA-N 0 0 328.412 4.740 10 0 EJAERN CCc1ccc(NC(=O)COc2ccc(C)cc2C(C)(C)C)cc1 ZINC000005471020 201652612 /nfs/dbraw/zinc/65/26/12/201652612.db2.gz OACWYQGIKIQUNW-UHFFFAOYSA-N 0 0 325.452 4.872 10 0 EJAERN Clc1cc(Cl)cc(OCc2nnc(Cc3ccccc3)o2)c1 ZINC000062663870 202800935 /nfs/dbraw/zinc/80/09/35/202800935.db2.gz IBBTVAHVMGSDLL-UHFFFAOYSA-N 0 0 335.190 4.546 10 0 EJAERN Cc1cc(OCCOc2cccc(Br)c2)ccc1Cl ZINC000070133545 203073880 /nfs/dbraw/zinc/07/38/80/203073880.db2.gz ARTRYFHCIOSWTH-UHFFFAOYSA-N 0 0 341.632 4.869 10 0 EJAERN Oc1ccccc1Nc1nc2ccccc2c(Nc2ccccc2)n1 ZINC000072260331 203186233 /nfs/dbraw/zinc/18/62/33/203186233.db2.gz IKNDAGJZNYYJHT-UHFFFAOYSA-N 0 0 328.375 4.823 10 0 EJAERN CC(=O)c1cn(Cc2ccccc2)c2ccc(Br)cc12 ZINC000077254008 216859734 /nfs/dbraw/zinc/85/97/34/216859734.db2.gz OUNGKECXOUHFEN-UHFFFAOYSA-N 0 0 328.209 4.655 10 0 EJAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Cl)sc1Cl ZINC000073434382 203264915 /nfs/dbraw/zinc/26/49/15/203264915.db2.gz ZGROTFCZSSDWKW-RNFRBKRXSA-N 0 0 346.201 4.906 10 0 EJAERN COc1cc([C@@H](C)Nc2ccc(Br)c(C)c2)ccc1O ZINC000019908140 212082930 /nfs/dbraw/zinc/08/29/30/212082930.db2.gz VCRCJLIZVRSFKT-LLVKDONJSA-N 0 0 336.229 4.645 10 0 EJAERN Cc1ccc(Nc2nc(C(=O)NC3CCCCC3)cc3occc32)cc1 ZINC000075436692 203314780 /nfs/dbraw/zinc/31/47/80/203314780.db2.gz QQQWPTJGYVKMKB-UHFFFAOYSA-N 0 0 349.434 4.942 10 0 EJAERN COc1ccc([C@@H](C)Nc2ccccc2Br)c(OC)c1 ZINC000019922859 212084709 /nfs/dbraw/zinc/08/47/09/212084709.db2.gz DBUQXRAYDZKKHF-LLVKDONJSA-N 0 0 336.229 4.639 10 0 EJAERN Cc1cc(NCc2ccc(Br)o2)ccc1Br ZINC000019908090 212081874 /nfs/dbraw/zinc/08/18/74/212081874.db2.gz ZZNSHEQDNRXEEI-UHFFFAOYSA-N 0 0 345.034 4.725 10 0 EJAERN CC[C@@H]1CCCC[C@@H]1OCCOc1ccc(Br)cc1 ZINC000103982641 204092571 /nfs/dbraw/zinc/09/25/71/204092571.db2.gz GFGZUIWLDMLZIA-CJNGLKHVSA-N 0 0 327.262 4.813 10 0 EJAERN Clc1nc(-c2ccccc2Br)nc2c1CCCCC2 ZINC000104160467 204098663 /nfs/dbraw/zinc/09/86/63/204098663.db2.gz QBMMCGUBLFQIRQ-UHFFFAOYSA-N 0 0 337.648 4.828 10 0 EJAERN O=C(c1c[nH]c2ccc(Cl)cc12)c1sccc1Br ZINC000104415129 204109063 /nfs/dbraw/zinc/10/90/63/204109063.db2.gz ZQDDPTGGSDGEIT-UHFFFAOYSA-N 0 0 340.629 4.876 10 0 EJAERN C[C@@H](O)c1ccccc1N[C@H](C)c1sccc1Br ZINC000049543126 214015545 /nfs/dbraw/zinc/01/55/45/214015545.db2.gz KXRQGTITYSJJLT-NXEZZACHSA-N 0 0 326.259 4.737 10 0 EJAERN Cc1ccccc1[C@@H](C)NC(=O)Nc1c(C)cccc1OC(F)F ZINC000078593089 217082091 /nfs/dbraw/zinc/08/20/91/217082091.db2.gz AQEUGWCXMBSFQY-CYBMUJFWSA-N 0 0 334.366 4.788 10 0 EJAERN O=C(Nc1c(Cl)cccc1Cl)c1ccnc2[nH]c(C3CC3)cc21 ZINC000080443347 217304975 /nfs/dbraw/zinc/30/49/75/217304975.db2.gz IJIYXQHWQWYBNB-UHFFFAOYSA-N 0 0 346.217 4.999 10 0 EJAERN Cc1cccc(N2C(=N)S/C(=C\c3c[nH]c4ccccc34)C2=O)c1 ZINC000015053179 211791937 /nfs/dbraw/zinc/79/19/37/211791937.db2.gz IIYJUERSJDZTBD-CRURURDBSA-N 0 0 333.416 4.532 10 0 EJAERN CCc1ccc(NC(=O)c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1 ZINC000138342072 205543818 /nfs/dbraw/zinc/54/38/18/205543818.db2.gz AOOJVSFVDNWODK-UHFFFAOYSA-N 0 0 331.375 4.638 10 0 EJAERN Oc1cccc(Nc2ncnc3scc(-c4ccc(F)cc4)c32)c1 ZINC000012084605 211288571 /nfs/dbraw/zinc/28/85/71/211288571.db2.gz IUFJQDWPWDTQJO-UHFFFAOYSA-N 0 0 337.379 4.947 10 0 EJAERN CCOc1c(CNCc2ccccc2Cl)cc(Cl)cc1OC ZINC000010474087 211175101 /nfs/dbraw/zinc/17/51/01/211175101.db2.gz OQXBURNUBKAUDE-UHFFFAOYSA-N 0 0 340.250 4.691 10 0 EJAERN Clc1cccc(-c2nn3c(c2-c2ccnc4ccccc42)CCC3)n1 ZINC000095919571 218450459 /nfs/dbraw/zinc/45/04/59/218450459.db2.gz CLOYZHLLEAYAGZ-UHFFFAOYSA-N 0 0 346.821 4.760 10 0 EJAERN Cc1sc2[nH]c(SCc3cccc(Cl)c3)nc(=O)c2c1C ZINC000005237740 210419233 /nfs/dbraw/zinc/41/92/33/210419233.db2.gz IEGLETDJUMPUOZ-UHFFFAOYSA-N 0 0 336.869 4.547 10 0 EJAERN Cc1ccc(-c2csc(NC(=O)Cc3ccc(C)cc3C)n2)cc1 ZINC000005267969 210429822 /nfs/dbraw/zinc/42/98/22/210429822.db2.gz GXKSLQWHIJBAHV-UHFFFAOYSA-N 0 0 336.460 4.917 10 0 EJAERN O=C1c2ccccc2[C@@H](Nc2cccc(F)c2)N1Cc1ccccc1 ZINC000004960458 210340676 /nfs/dbraw/zinc/34/06/76/210340676.db2.gz LGJXTTDJHUMGTN-FQEVSTJZSA-N 0 0 332.378 4.592 10 0 EJAERN CC(C)n1ccc2cc(C(=O)N[C@H](C)c3nc4ccccc4[nH]3)ccc21 ZINC000334161513 258015812 /nfs/dbraw/zinc/01/58/12/258015812.db2.gz CZZFPZBBPMPLFP-CQSZACIVSA-N 0 0 346.434 4.590 10 0 EJAERN Nc1ccc2c(c1)N(Cc1c(Cl)cccc1Cl)CCS2 ZINC000038051492 132396414 /nfs/dbraw/zinc/39/64/14/132396414.db2.gz BTYZBVXKUWMTEA-UHFFFAOYSA-N 0 0 325.264 4.688 10 0 EJAERN Nc1ccc2c(c1)N(Cc1ccc(Cl)c(Cl)c1)CCS2 ZINC000038051491 132396580 /nfs/dbraw/zinc/39/65/80/132396580.db2.gz DEBMRBIPLVDSNW-UHFFFAOYSA-N 0 0 325.264 4.688 10 0 EJAERN CCc1cccc(C)c1NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000043156381 524065143 /nfs/dbraw/zinc/06/51/43/524065143.db2.gz CAXAWHQEZRELLO-UONOGXRCSA-N 0 0 328.378 4.800 10 0 EJAERN Cc1nc([C@H](C)N[C@H](C)c2ccccc2Br)cs1 ZINC000036945691 527067521 /nfs/dbraw/zinc/06/75/21/527067521.db2.gz UTUKITOKXZJSST-ZJUUUORDSA-N 0 0 325.275 4.626 10 0 EJAERN COc1ccc(/N=c2/sscc2-c2ccccc2)cc1OC ZINC000005918222 563554322 /nfs/dbraw/zinc/55/43/22/563554322.db2.gz OEJBJQXNISGVEP-ISLYRVAYSA-N 0 0 329.446 4.726 10 0 EJAERN Cc1nn(C(C)C)cc1NCc1ccc(Br)cc1Cl ZINC000725242630 563975069 /nfs/dbraw/zinc/97/50/69/563975069.db2.gz OHXRHDRFESNHQX-UHFFFAOYSA-N 0 0 342.668 4.800 10 0 EJAERN BrC(Br)=Cc1ccc(Br)s1 ZINC000145715463 563996025 /nfs/dbraw/zinc/99/60/25/563996025.db2.gz GPZNZHWNYCNFGB-UHFFFAOYSA-N 0 0 346.869 4.599 10 0 EJAERN Cc1ccc(NC(=O)[C@H]2[C@@H]3CC[C@@H]4[C@H](CC[C@H]32)C4(Cl)Cl)cc1 ZINC000253495805 563999348 /nfs/dbraw/zinc/99/93/48/563999348.db2.gz RBSXVVJDEPZIAL-SUJAAXHWSA-N 0 0 338.278 4.790 10 0 EJAERN CCOC(=O)c1sc(-c2ccc(C)c(C(F)(F)F)c2)nc1C ZINC000220548846 564000139 /nfs/dbraw/zinc/00/01/39/564000139.db2.gz FZDPWWZJIAWWAR-UHFFFAOYSA-N 0 0 329.343 4.622 10 0 EJAERN O[C@H](CNc1ccccc1)CN1c2ccccc2Sc2ccccc21 ZINC000000571498 564023726 /nfs/dbraw/zinc/02/37/26/564023726.db2.gz BNHYWCUSPGVKHK-QGZVFWFLSA-N 0 0 348.471 4.762 10 0 EJAERN CCc1cc(C)nc2cc(Br)cc(Br)c12 ZINC000669372412 564084056 /nfs/dbraw/zinc/08/40/56/564084056.db2.gz OQARWAODNHMORP-UHFFFAOYSA-N 0 0 329.035 4.631 10 0 EJAERN O=C(NCc1ccco1)Nc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000075456100 564084882 /nfs/dbraw/zinc/08/48/82/564084882.db2.gz UVICFCHQXQHWCB-UHFFFAOYSA-N 0 0 349.365 4.889 10 0 EJAERN CCOC(=O)c1c(CC)c2cc(C(F)(F)F)ccc2nc1C1CC1 ZINC000536953111 564091753 /nfs/dbraw/zinc/09/17/53/564091753.db2.gz IXTVKQRSMOMBEC-UHFFFAOYSA-N 0 0 337.341 4.870 10 0 EJAERN COc1ccc(C2=Nc3cc(C)ccc3N=C(c3ccccc3)N2)cc1 ZINC000006743623 564096876 /nfs/dbraw/zinc/09/68/76/564096876.db2.gz IDQFPDQWQZULHS-UHFFFAOYSA-N 0 0 341.414 4.954 10 0 aggregator EJAERN Cc1ccc(Cn2cc(CCCC(=O)NC(C)C)c3ccccc32)cc1 ZINC000006782824 564097657 /nfs/dbraw/zinc/09/76/57/564097657.db2.gz UUVQFLIEIBJSDW-UHFFFAOYSA-N 0 0 348.490 4.845 10 0 EJAERN CCC[C@@H](C)CC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960294 564177096 /nfs/dbraw/zinc/17/70/96/564177096.db2.gz CKUQRBWRTRMKJR-MRXNPFEDSA-N 0 0 333.472 4.819 10 0 EJAERN CCCCCC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960497 564177138 /nfs/dbraw/zinc/17/71/38/564177138.db2.gz NGHPRJZGHJNKQE-UHFFFAOYSA-N 0 0 333.472 4.963 10 0 EJAERN CC[C@@H](C)[C@@H](C)C(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960573 564177169 /nfs/dbraw/zinc/17/71/69/564177169.db2.gz SDERAKSSXJDGLE-HZPDHXFCSA-N 0 0 333.472 4.675 10 0 EJAERN CC1(C)Cc2nc(-c3ccccc3Br)sc2[C@H](O)C1 ZINC000050335849 214053299 /nfs/dbraw/zinc/05/32/99/214053299.db2.gz NNNDPIKJXPAVDD-GFCCVEGCSA-N 0 0 338.270 4.578 10 0 EJAERN O=C(Cc1ccc(F)c(Br)c1)c1ccccc1Cl ZINC000050438680 214056754 /nfs/dbraw/zinc/05/67/54/214056754.db2.gz VXWLDCUVSPGULO-UHFFFAOYSA-N 0 0 327.580 4.667 10 0 EJAERN COc1ccccc1C(=O)CNc1nc2c(ccc(Cl)c2C)s1 ZINC000054643936 214247342 /nfs/dbraw/zinc/24/73/42/214247342.db2.gz NHCAGEYXUCFHLZ-UHFFFAOYSA-N 0 0 346.839 4.562 10 0 EJAERN O[C@H](Cc1sccc1Br)c1cccc2ccccc21 ZINC000054438749 214238660 /nfs/dbraw/zinc/23/86/60/214238660.db2.gz ORLZLXXQIPHNPO-OAHLLOKOSA-N 0 0 333.250 4.940 10 0 EJAERN O[C@H](c1cccc(Br)c1)c1cccc(C(F)(F)F)c1 ZINC000055201611 214288760 /nfs/dbraw/zinc/28/87/60/214288760.db2.gz SMOAXJJEJVFROF-ZDUSSCGKSA-N 0 0 331.131 4.550 10 0 EJAERN Fc1ccc(C(F)(F)c2nc(Cl)c3cccc(F)c3n2)cc1 ZINC000098178747 219086736 /nfs/dbraw/zinc/08/67/36/219086736.db2.gz GZVZBNADUKENMK-UHFFFAOYSA-N 0 0 326.680 4.702 10 0 EJAERN O[C@H](Cc1ccc(F)cc1)c1ccc(Br)cc1Cl ZINC000062140457 214701602 /nfs/dbraw/zinc/70/16/02/214701602.db2.gz CWXIZJPSQRDPDP-CQSZACIVSA-N 0 0 329.596 4.518 10 0 EJAERN COc1ccc2c(c1)N(C(C)C)C(=O)CC(c1ccccc1Cl)=N2 ZINC000100898375 219110909 /nfs/dbraw/zinc/11/09/09/219110909.db2.gz LEFKGTUNQUKXTN-UHFFFAOYSA-N 0 0 342.826 4.615 10 0 EJAERN O=C(Nc1ccc(F)cc1)N1CCC(CCOc2ccccc2)CC1 ZINC000065181367 214839025 /nfs/dbraw/zinc/83/90/25/214839025.db2.gz PLHYYDCKGVLCPN-UHFFFAOYSA-N 0 0 342.414 4.539 10 0 EJAERN CC(C)c1ccc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2c1 ZINC000004255114 210154513 /nfs/dbraw/zinc/15/45/13/210154513.db2.gz MTKACKWJDYHSKE-UHFFFAOYSA-N 0 0 339.464 4.738 10 0 EJAERN Cc1cn(C)c(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)n1 ZINC000066074754 215006897 /nfs/dbraw/zinc/00/68/97/215006897.db2.gz GXRSOTZPZCTLQG-UHFFFAOYSA-N 0 0 333.222 4.841 10 0 EJAERN CCOc1ccccc1NC(=S)Nc1cc(Cl)ccc1OC ZINC000013792228 201915583 /nfs/dbraw/zinc/91/55/83/201915583.db2.gz SUAIGLYAQRNFAL-UHFFFAOYSA-N 0 0 336.844 4.556 10 0 EJAERN CCCC[C@]1(Cl)C(=O)c2cccc3c4ccccc4n(c32)C1=O ZINC000003957480 210095095 /nfs/dbraw/zinc/09/50/95/210095095.db2.gz FZTYISGBZVKSQQ-IBGZPJMESA-N 0 0 325.795 4.799 10 0 EJAERN O=C(Nc1ccccc1)c1n[nH]c2ccc(CCc3ccccc3)cc21 ZINC000003819951 210076594 /nfs/dbraw/zinc/07/65/94/210076594.db2.gz NTJHGVXWRFRWFG-UHFFFAOYSA-N 0 0 341.414 4.600 10 0 EJAERN COc1ccc2c(CC(=O)Nc3ccc(C(F)(F)F)cc3)coc2c1 ZINC000003566676 210057545 /nfs/dbraw/zinc/05/75/45/210057545.db2.gz YYLJYGSOUCDWFD-UHFFFAOYSA-N 0 0 349.308 4.641 10 0 EJAERN N=C1S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000015053332 201948608 /nfs/dbraw/zinc/94/86/08/201948608.db2.gz GVYQOGVAGOREAY-RBCZPYDQSA-N 0 0 332.787 4.535 10 0 EJAERN N=C1S/C(=C\c2ccco2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000015054128 201948723 /nfs/dbraw/zinc/94/87/23/201948723.db2.gz AGHAVSQFGFEYEY-DICXTUCDSA-N 0 0 339.203 4.642 10 0 EJAERN Cc1cc(Cl)c2ncc(Br)c(Br)c2c1 ZINC000041702106 213463454 /nfs/dbraw/zinc/46/34/54/213463454.db2.gz VDMABCUOACDKMA-UHFFFAOYSA-N 0 0 335.426 4.722 10 0 EJAERN Cc1cc2c(Br)c(Cl)cnc2cc1Br ZINC000041702128 213462538 /nfs/dbraw/zinc/46/25/38/213462538.db2.gz ZVHQBCAOKKCGND-UHFFFAOYSA-N 0 0 335.426 4.722 10 0 EJAERN COc1ccccc1N1C=C(c2ccccc2)N(c2ccccc2)C1 ZINC000103592044 219315855 /nfs/dbraw/zinc/31/58/55/219315855.db2.gz ZGKJDEMHESZLFI-UHFFFAOYSA-N 0 0 328.415 4.978 10 0 EJAERN CC[C@H]1CCC(=O)[C@@H](CCOc2cccc(Br)c2)C1 ZINC000103933268 219330562 /nfs/dbraw/zinc/33/05/62/219330562.db2.gz ALUSFYATOIHBTD-STQMWFEESA-N 0 0 325.246 4.613 10 0 EJAERN CCC[C@H]1CCC(=O)[C@H](Cc2ccc(F)cc2Br)C1 ZINC000103937254 219330602 /nfs/dbraw/zinc/33/06/02/219330602.db2.gz LRRQTGMBTKNSKI-AAEUAGOBSA-N 0 0 327.237 4.916 10 0 EJAERN O=C(c1ccccc1)c1ccc(Br)cc1C(F)(F)F ZINC000103943183 219331413 /nfs/dbraw/zinc/33/14/13/219331413.db2.gz JDZHMUFTUNIUSD-UHFFFAOYSA-N 0 0 329.115 4.699 10 0 EJAERN CC(C)[C@H]1CCC(=O)[C@H](Cc2ccc(F)cc2Br)C1 ZINC000103942771 219331600 /nfs/dbraw/zinc/33/16/00/219331600.db2.gz LQYLCWRQVUXILN-AAEUAGOBSA-N 0 0 327.237 4.772 10 0 EJAERN Cc1cc(C)cc(COc2c(N)cc(Cl)cc2Br)c1 ZINC000103949416 219332229 /nfs/dbraw/zinc/33/22/29/219332229.db2.gz XVTCOCKBXONXED-UHFFFAOYSA-N 0 0 340.648 4.881 10 0 EJAERN Fc1cc2nc(-c3ccc(Br)cc3Cl)[nH]c2cc1F ZINC000103937229 219330136 /nfs/dbraw/zinc/33/01/36/219330136.db2.gz WOOVYLIHIBIKJW-UHFFFAOYSA-N 0 0 343.558 4.924 10 0 EJAERN COc1ccc(COC[C@@H]2CC=CC[C@H]2C)cc1Br ZINC000103987684 219335844 /nfs/dbraw/zinc/33/58/44/219335844.db2.gz RFUXLPJJKOZWDZ-OCCSQVGLSA-N 0 0 325.246 4.577 10 0 EJAERN CC[C@@H]1CCCC[C@H]1OCCOc1ccc(Br)cc1 ZINC000103982649 219335922 /nfs/dbraw/zinc/33/59/22/219335922.db2.gz GFGZUIWLDMLZIA-CZUORRHYSA-N 0 0 327.262 4.813 10 0 EJAERN CC[C@H]1CCCC[C@H]1OCc1ccc(OC)c(Br)c1 ZINC000103984161 219336187 /nfs/dbraw/zinc/33/61/87/219336187.db2.gz XFDJWWYVSQALJN-DZGCQCFKSA-N 0 0 327.262 4.943 10 0 EJAERN Fc1ccc(NCCSc2cccc(Br)c2)cc1 ZINC000104002821 219337239 /nfs/dbraw/zinc/33/72/39/219337239.db2.gz SMTUEVCFWHRTDU-UHFFFAOYSA-N 0 0 326.234 4.792 10 0 EJAERN CCCNc1cc(COC)nc2c(Cl)cc(Br)cc12 ZINC000104013514 219339125 /nfs/dbraw/zinc/33/91/25/219339125.db2.gz CBRQQKHVWAAOLN-UHFFFAOYSA-N 0 0 343.652 4.619 10 0 EJAERN CC(C)Oc1ncccc1N[C@H](C)c1sccc1Br ZINC000103968115 219334429 /nfs/dbraw/zinc/33/44/29/219334429.db2.gz YJUYQFJNIWRBGY-SNVBAGLBSA-N 0 0 341.274 4.866 10 0 EJAERN CCCCC[C@@H](C)NC(=O)c1cc(Br)cn1C(C)C ZINC000104169275 219354848 /nfs/dbraw/zinc/35/48/48/219354848.db2.gz BADUXNMKLMSDMT-GFCCVEGCSA-N 0 0 329.282 4.530 10 0 EJAERN CCc1c(Cl)ncnc1N[C@@H](C)c1ccc(Br)cc1 ZINC000104214051 219362180 /nfs/dbraw/zinc/36/21/80/219362180.db2.gz GSITWAZWFMLEOP-VIFPVBQESA-N 0 0 340.652 4.628 10 0 EJAERN Cc1ccc2sc(NC(=O)COc3cccc(C)c3C)nc2c1C ZINC000040965658 213405007 /nfs/dbraw/zinc/40/50/07/213405007.db2.gz VJYYJAKLHFGLHA-UHFFFAOYSA-N 0 0 340.448 4.547 10 0 EJAERN CCc1cccc2c(C(=O)c3sccc3Br)c[nH]c21 ZINC000104291431 219370554 /nfs/dbraw/zinc/37/05/54/219370554.db2.gz JJVHDOKOKVQUBE-UHFFFAOYSA-N 0 0 334.238 4.785 10 0 EJAERN O=Cc1ccc(Br)cc1Sc1ccc(F)c(F)c1 ZINC000104292543 219371016 /nfs/dbraw/zinc/37/10/16/219371016.db2.gz UACDEAVUFJMQQU-UHFFFAOYSA-N 0 0 329.165 4.691 10 0 EJAERN CC(C)(C)c1ccc([C@@H](O)c2sccc2Br)cc1 ZINC000104288168 219371049 /nfs/dbraw/zinc/37/10/49/219371049.db2.gz KOILIKWMHZIQOI-CYBMUJFWSA-N 0 0 325.271 4.890 10 0 EJAERN CCOc1ccccc1-c1csc(NC(=O)c2cccc(F)c2)n1 ZINC000040946970 213402509 /nfs/dbraw/zinc/40/25/09/213402509.db2.gz ISEGHVDVOZUTQC-UHFFFAOYSA-N 0 0 342.395 4.600 10 0 EJAERN Cc1ccc(OC(=O)c2cc3ccccc3oc2=O)c(C(C)(C)C)c1 ZINC000040902330 213399830 /nfs/dbraw/zinc/39/98/30/213399830.db2.gz KAHMVXHBAPLHMR-UHFFFAOYSA-N 0 0 336.387 4.618 10 0 EJAERN CC(C)(C)C(=O)Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000040883963 213397738 /nfs/dbraw/zinc/39/77/38/213397738.db2.gz HXQDDQHXMLONKE-UHFFFAOYSA-N 0 0 331.799 4.544 10 0 EJAERN COc1ccc(N(C)c2nc(Cl)nc3cc(Cl)ccc32)cc1 ZINC000040863640 213394782 /nfs/dbraw/zinc/39/47/82/213394782.db2.gz ZWSFLJALKMNMKZ-UHFFFAOYSA-N 0 0 334.206 4.713 10 0 EJAERN Nc1c(Nc2cccc(Cl)c2)ncnc1NC1CCCCCC1 ZINC000040781866 213385822 /nfs/dbraw/zinc/38/58/22/213385822.db2.gz YCHGWZBAXHREPY-UHFFFAOYSA-N 0 0 331.851 4.591 10 0 EJAERN Cc1ccc2c(CC(=O)Nc3cccc4nc(C)ccc43)coc2c1 ZINC000040803442 213387777 /nfs/dbraw/zinc/38/77/77/213387777.db2.gz PMGGQLKCGUNUHB-UHFFFAOYSA-N 0 0 330.387 4.779 10 0 EJAERN Cc1cc(Oc2ncnc(Oc3ccccc3)c2N)ccc1Cl ZINC000040796055 213387164 /nfs/dbraw/zinc/38/71/64/213387164.db2.gz IZSXQNBZQJGWTR-UHFFFAOYSA-N 0 0 327.771 4.605 10 0 EJAERN Cc1cccc(Nc2ncnc(Nc3cccc(Cl)c3)c2N)c1C ZINC000040755087 213383429 /nfs/dbraw/zinc/38/34/29/213383429.db2.gz ZPJZLYHBXNRQDT-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN Cc1ccc(Nc2ncnc(Nc3ccc(Cl)cc3)c2N)c(C)c1 ZINC000040755398 213382841 /nfs/dbraw/zinc/38/28/41/213382841.db2.gz SZPQYGNBIBVLFD-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN Cc1ccccc1Nc1ncnc(Sc2ccc(Cl)cc2)c1N ZINC000040723030 213376542 /nfs/dbraw/zinc/37/65/42/213376542.db2.gz BKYLHZAMCBYMPY-UHFFFAOYSA-N 0 0 342.855 4.915 10 0 EJAERN Fc1ccc(COc2ccc(F)c(Cl)c2)c(Br)c1 ZINC000104410422 219384621 /nfs/dbraw/zinc/38/46/21/219384621.db2.gz OKFDATIOYHZQRQ-UHFFFAOYSA-N 0 0 333.559 4.960 10 0 EJAERN CCc1ccc(Nc2ncnc(Nc3ccccc3Cl)c2N)cc1 ZINC000040688489 213369707 /nfs/dbraw/zinc/36/97/07/213369707.db2.gz SAVGMOFCTRKKEF-UHFFFAOYSA-N 0 0 339.830 4.762 10 0 EJAERN Nc1c(Nc2ccccc2F)ncnc1Oc1ccc2ccccc2c1 ZINC000040687794 213369774 /nfs/dbraw/zinc/36/97/74/213369774.db2.gz OWMMWJKJZLEONI-UHFFFAOYSA-N 0 0 346.365 4.887 10 0 EJAERN Nc1c(NC2CCCCC2)ncnc1Sc1ccc(Cl)cc1 ZINC000040708404 213372113 /nfs/dbraw/zinc/37/21/13/213372113.db2.gz ZETWHKOGUVDXEG-UHFFFAOYSA-N 0 0 334.876 4.608 10 0 EJAERN CCN(c1cccc(C)c1)c1ncnc(Oc2cc(C)cc(C)c2)c1N ZINC000040661685 213365535 /nfs/dbraw/zinc/36/55/35/213365535.db2.gz WJLIVQGYDGJVAE-UHFFFAOYSA-N 0 0 348.450 4.934 10 0 EJAERN Clc1ccc([C@@H](NCc2cscn2)c2cccs2)s1 ZINC000104432373 219387866 /nfs/dbraw/zinc/38/78/66/219387866.db2.gz USCMXJDIAFLAFU-ZDUSSCGKSA-N 0 0 326.899 4.799 10 0 EJAERN CCCCn1nc(Cc2cccc3ccccc32)c2ccccc2c1=O ZINC000040564649 213351390 /nfs/dbraw/zinc/35/13/90/213351390.db2.gz USLBEIKKQHOGBQ-UHFFFAOYSA-N 0 0 342.442 4.941 10 0 EJAERN CCCOc1ccc(/C=C/C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000001965243 209808982 /nfs/dbraw/zinc/80/89/82/209808982.db2.gz ICPYAOQUBYJZNY-VGOFMYFVSA-N 0 0 325.408 4.526 10 0 EJAERN Cc1cccc(OCc2nc3cc(C(F)(F)F)ccc3n2C)c1C ZINC000040410209 213300741 /nfs/dbraw/zinc/30/07/41/213300741.db2.gz YEIPYDJFDUIFJU-UHFFFAOYSA-N 0 0 334.341 4.788 10 0 EJAERN CCOCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccccc1 ZINC000040404982 213299404 /nfs/dbraw/zinc/29/94/04/213299404.db2.gz JGBNQCYYBLJJEU-UHFFFAOYSA-N 0 0 334.341 4.759 10 0 EJAERN CCOCCn1c(COc2ccc(C)cc2)nc2cc(Cl)ccc21 ZINC000040405214 213299240 /nfs/dbraw/zinc/29/92/40/213299240.db2.gz CSRYQCJQQYKOET-UHFFFAOYSA-N 0 0 344.842 4.614 10 0 EJAERN CCOCCn1c(COc2cccc(C)c2)nc2cc(Cl)ccc21 ZINC000040405211 213298596 /nfs/dbraw/zinc/29/85/96/213298596.db2.gz CWBFLZWPVXAJPC-UHFFFAOYSA-N 0 0 344.842 4.614 10 0 EJAERN Cc1cc(NC(=O)c2ccccc2F)c2ccc(Cl)c(C)c2n1 ZINC000040359498 213293178 /nfs/dbraw/zinc/29/31/78/213293178.db2.gz SIZCHEBLJLCUNP-UHFFFAOYSA-N 0 0 328.774 4.896 10 0 EJAERN O=C(NCc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(F)cc1 ZINC000040323882 213291929 /nfs/dbraw/zinc/29/19/29/213291929.db2.gz ZPZRZKDAWNLLCH-UHFFFAOYSA-N 0 0 346.814 4.533 10 0 EJAERN O=C(Cc1cc(-c2ccccc2)no1)Nc1cccc(C(F)(F)F)c1 ZINC000040325056 213292019 /nfs/dbraw/zinc/29/20/19/213292019.db2.gz HDQPBPBPVSRPRM-UHFFFAOYSA-N 0 0 346.308 4.542 10 0 EJAERN O[C@@H](c1ccc(Br)s1)c1ccc(Cl)c(Cl)c1 ZINC000040260294 213285304 /nfs/dbraw/zinc/28/53/04/213285304.db2.gz WXPRCIVHTFRFKR-LLVKDONJSA-N 0 0 338.053 4.899 10 0 EJAERN FC(F)(F)c1nc2ccccc2n1CCCCOc1ccccc1 ZINC000040231881 213283596 /nfs/dbraw/zinc/28/35/96/213283596.db2.gz OUEPKZUSDKCCNN-UHFFFAOYSA-N 0 0 334.341 4.914 10 0 EJAERN CC(C)Cn1c(CCCCCNC(=O)C(C)(C)C)nc2ccccc21 ZINC000040211883 213281727 /nfs/dbraw/zinc/28/17/27/213281727.db2.gz FFYDGENACXVMDB-UHFFFAOYSA-N 0 0 343.515 4.567 10 0 EJAERN COc1ccccc1Cn1c(Cc2ccccc2C)nc2ccccc21 ZINC000040226445 213281902 /nfs/dbraw/zinc/28/19/02/213281902.db2.gz ZZCFVVZZRDIUHZ-UHFFFAOYSA-N 0 0 342.442 4.992 10 0 EJAERN CCCCCCn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21 ZINC000040204737 213281677 /nfs/dbraw/zinc/28/16/77/213281677.db2.gz YAPQYFDUFMODGE-UHFFFAOYSA-N 0 0 343.515 4.712 10 0 EJAERN COc1cccc([C@H]2CCCN2Cc2nc(-c3ccoc3)oc2C)c1 ZINC000019795245 202021148 /nfs/dbraw/zinc/02/11/48/202021148.db2.gz FFRSNBPGOFNKMQ-LJQANCHMSA-N 0 0 338.407 4.589 10 0 EJAERN COC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)[C@@H](O)CCC1(C)C ZINC000038329919 213207879 /nfs/dbraw/zinc/20/78/79/213207879.db2.gz RLAYPMFOLMBAIN-VTEUVMCYSA-N 0 0 330.468 4.662 10 0 EJAERN CCn1c2ccccc2nc1CNc1ccc(Br)cc1F ZINC000038046585 213197048 /nfs/dbraw/zinc/19/70/48/213197048.db2.gz YZZVTMWTNWMXGF-UHFFFAOYSA-N 0 0 348.219 4.570 10 0 EJAERN C[C@@H](NCc1cc(F)ccc1Br)c1ccc(F)c(F)c1 ZINC000038038936 213195601 /nfs/dbraw/zinc/19/56/01/213195601.db2.gz ZDHSVGXYWBHFND-SECBINFHSA-N 0 0 344.174 4.717 10 0 EJAERN O=c1nc(-c2ccc(Cl)cc2)[nH]c2sc(-c3ccccc3)cc21 ZINC000020346516 202039064 /nfs/dbraw/zinc/03/90/64/202039064.db2.gz CTNYPULAXULJKG-UHFFFAOYSA-N 0 0 338.819 4.972 10 0 EJAERN C[C@H](Nc1ccccc1I)c1cccs1 ZINC000020480084 202043696 /nfs/dbraw/zinc/04/36/96/202043696.db2.gz GDBATGROCRLVCV-VIFPVBQESA-N 0 0 329.206 4.526 10 0 EJAERN Cc1cc(Br)ccc1NC(=O)c1cccc(OC(C)C)c1 ZINC000000514211 209641967 /nfs/dbraw/zinc/64/19/67/209641967.db2.gz OXSMVKVSTLIGBT-UHFFFAOYSA-N 0 0 348.240 4.797 10 0 EJAERN Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000000502970 209637895 /nfs/dbraw/zinc/63/78/95/209637895.db2.gz VGOBKXWUKXENAV-UHFFFAOYSA-N 0 0 340.492 4.728 10 0 EJAERN C[C@@H](Nc1cccc(-n2ccnc2)c1)c1ccc(Br)s1 ZINC000038002506 213187352 /nfs/dbraw/zinc/18/73/52/213187352.db2.gz CIZKLBDKKGQQSS-LLVKDONJSA-N 0 0 348.269 4.869 10 0 EJAERN CC(C)C[C@H](C)N(C)C(=O)c1cc(Br)ccc1Cl ZINC000037982955 213182209 /nfs/dbraw/zinc/18/22/09/213182209.db2.gz CLFPRAJXGPXKCR-JTQLQIEISA-N 0 0 332.669 4.609 10 0 EJAERN CCc1ncc(CNc2ccc(Br)cc2Cl)s1 ZINC000037924014 213173886 /nfs/dbraw/zinc/17/38/86/213173886.db2.gz RORQERHLYZWOPO-UHFFFAOYSA-N 0 0 331.666 4.734 10 0 EJAERN Cc1ccc([C@@H](C)N(C)C(=O)c2ccccc2Br)s1 ZINC000037845908 213170482 /nfs/dbraw/zinc/17/04/82/213170482.db2.gz GDUPWSUVTZHOQF-LLVKDONJSA-N 0 0 338.270 4.652 10 0 EJAERN C[C@H](Nc1ccc2nccnc2c1)c1sccc1Br ZINC000037773168 213165295 /nfs/dbraw/zinc/16/52/95/213165295.db2.gz PNEFQEZYOOSLEY-VIFPVBQESA-N 0 0 334.242 4.627 10 0 EJAERN CC(C)(C)c1cc(Cl)nc(-c2cccc(Br)c2)n1 ZINC000037409162 213144577 /nfs/dbraw/zinc/14/45/77/213144577.db2.gz MBKKLCRKPSTHLX-UHFFFAOYSA-N 0 0 325.637 4.857 10 0 EJAERN Cc1cc(OCc2c(N)cccc2Br)cc(C)c1Cl ZINC000036683307 213110215 /nfs/dbraw/zinc/11/02/15/213110215.db2.gz KLDMTNFEFDWZLM-UHFFFAOYSA-N 0 0 340.648 4.881 10 0 EJAERN O=C1NC(=S)SC1=Cc1ccc(OCCc2ccccc2)cc1 ZINC000035362680 213022673 /nfs/dbraw/zinc/02/26/73/213022673.db2.gz VYNQJINPHORWHR-VBKFSLOCSA-N 0 0 341.457 4.637 10 0 EJAERN Fc1cc(Br)ccc1CNc1ccc(Cl)cc1F ZINC000035039885 213005854 /nfs/dbraw/zinc/00/58/54/213005854.db2.gz URLAJTFTNNBCDI-UHFFFAOYSA-N 0 0 332.575 4.993 10 0 EJAERN CCOc1ccc(NC(=O)N[C@H](C)c2ccc(CC)cc2)c(C)c1 ZINC000071944481 215977982 /nfs/dbraw/zinc/97/79/82/215977982.db2.gz ZKWBWNBBJVUIDC-OAHLLOKOSA-N 0 0 326.440 4.839 10 0 EJAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(C(F)(F)F)c2)o1 ZINC000072044278 215998058 /nfs/dbraw/zinc/99/80/58/215998058.db2.gz QXSQUKKDCDPNGV-SECBINFHSA-N 0 0 330.281 4.629 10 0 EJAERN O=C(/C=C\c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(F)c1 ZINC000033726812 202268524 /nfs/dbraw/zinc/26/85/24/202268524.db2.gz VSPVZPQLTYIYKJ-KXFIGUGUSA-N 0 0 328.145 4.924 10 0 EJAERN CN[C@H](c1ccc(Br)o1)c1cc(Cl)ccc1Cl ZINC000035501812 202304752 /nfs/dbraw/zinc/30/47/52/202304752.db2.gz UXTIUCJWKJVKTR-LBPRGKRZSA-N 0 0 335.028 4.658 10 0 EJAERN Cc1nc(NC(=O)c2ccco2)sc1Cc1ccc(Cl)cc1 ZINC000036639516 202328050 /nfs/dbraw/zinc/32/80/50/202328050.db2.gz LEELRKSANZVZGH-UHFFFAOYSA-N 0 0 332.812 4.541 10 0 EJAERN C[C@@](O)(Cc1ccccc1Br)c1ccccc1Cl ZINC000037530852 202344702 /nfs/dbraw/zinc/34/47/02/202344702.db2.gz RSIZYYZILCZNGZ-OAHLLOKOSA-N 0 0 325.633 4.553 10 0 EJAERN O=C(Nc1c(Cl)cccc1Cl)c1nc(Cl)ccc1Cl ZINC000037974782 202383008 /nfs/dbraw/zinc/38/30/08/202383008.db2.gz OHPAFFIFQRJRSM-UHFFFAOYSA-N 0 0 336.005 4.948 10 0 EJAERN Cn1c2ccccc2c(-c2ccccc2)c(Nc2ccccc2)c1=O ZINC000039140139 202411340 /nfs/dbraw/zinc/41/13/40/202411340.db2.gz ZJZZFOBUOOIRGH-UHFFFAOYSA-N 0 0 326.399 4.949 10 0 EJAERN CCOC(=O)c1c(C)c(C)sc1Nc1ccnc2c(F)cccc12 ZINC000039963761 202416399 /nfs/dbraw/zinc/41/63/99/202416399.db2.gz YKSLGOZHGSQKIL-UHFFFAOYSA-N 0 0 344.411 4.973 10 0 EJAERN CCN(c1ccccc1)c1ncnc(Nc2ccc(C)cc2C)c1N ZINC000040679554 202459193 /nfs/dbraw/zinc/45/91/93/202459193.db2.gz LFWAUAVQAKRCDP-UHFFFAOYSA-N 0 0 333.439 4.577 10 0 EJAERN Cc1ccc(C)c(Nc2ncnc(Nc3cc(C)ccc3C)c2N)c1 ZINC000040704351 202459425 /nfs/dbraw/zinc/45/94/25/202459425.db2.gz ZGHJPEAYWSYLQT-UHFFFAOYSA-N 0 0 333.439 4.780 10 0 EJAERN COc1cccc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)c1 ZINC000040925721 202468000 /nfs/dbraw/zinc/46/80/00/202468000.db2.gz ILIFHHLGMORSFJ-UHFFFAOYSA-N 0 0 344.823 4.724 10 0 EJAERN COc1ccc(C(=O)Nc2ccnc3ccc(C(F)(F)F)cc32)cc1 ZINC000041057202 202472032 /nfs/dbraw/zinc/47/20/32/202472032.db2.gz HPPJVYOVCZKUDS-UHFFFAOYSA-N 0 0 346.308 4.515 10 0 EJAERN O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccncc1 ZINC000000262198 209508025 /nfs/dbraw/zinc/50/80/25/209508025.db2.gz QAOXLPTWFPOOCS-UHFFFAOYSA-N 0 0 349.777 4.796 10 0 EJAERN C[C@@H](Nc1ccccc1N(C)C)c1sccc1Br ZINC000037304654 213139244 /nfs/dbraw/zinc/13/92/44/213139244.db2.gz FFPIRMGBGJOGLG-SNVBAGLBSA-N 0 0 325.275 4.750 10 0 EJAERN CCCn1c2ccc(Br)cc2nc1-c1sccc1N ZINC000037441580 213146556 /nfs/dbraw/zinc/14/65/56/213146556.db2.gz XIEVKECMNNWSBF-UHFFFAOYSA-N 0 0 336.258 4.520 10 0 EJAERN Nc1cc(Br)ccc1-c1nc2cccc(Cl)c2s1 ZINC000037742647 213164029 /nfs/dbraw/zinc/16/40/29/213164029.db2.gz HLBRIIISIILXGA-UHFFFAOYSA-N 0 0 339.645 4.961 10 0 EJAERN Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(Br)cc2)s1 ZINC000037845910 213170145 /nfs/dbraw/zinc/17/01/45/213170145.db2.gz HTMIHFZAWMICMB-LLVKDONJSA-N 0 0 338.270 4.652 10 0 EJAERN Cc1cccc(/C=C/c2ccnc(N3CCc4ccccc4C3)n2)c1 ZINC000072443611 216236858 /nfs/dbraw/zinc/23/68/58/216236858.db2.gz RNSJDDBMOMISFX-MDZDMXLPSA-N 0 0 327.431 4.518 10 0 EJAERN C[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1cccc(Cl)c1 ZINC000027336499 212553359 /nfs/dbraw/zinc/55/33/59/212553359.db2.gz JAUQQCXTQHYGSX-QMMMGPOBSA-N 0 0 329.614 4.533 10 0 EJAERN Cc1cccc(-c2cc(=O)[nH]c(Nc3ccccc3C(F)(F)F)n2)c1 ZINC000057341907 201139127 /nfs/dbraw/zinc/13/91/27/201139127.db2.gz ZJIZABMPMCQJHT-UHFFFAOYSA-N 0 0 345.324 4.508 10 0 EJAERN O=c1oc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1 ZINC000066323945 201157830 /nfs/dbraw/zinc/15/78/30/201157830.db2.gz HWPLDVWAEPJSIE-UHFFFAOYSA-N 0 0 327.383 4.824 10 0 EJAERN Fc1ccc(Br)cc1NCc1nc2ccccc2s1 ZINC000038090432 213200720 /nfs/dbraw/zinc/20/07/20/213200720.db2.gz CLKHUENOPGSNRZ-UHFFFAOYSA-N 0 0 337.217 4.810 10 0 EJAERN CC(C)C(NC(=O)c1ccc(-c2ccc3c(c2)OCO3)s1)C(C)C ZINC000022624347 212312249 /nfs/dbraw/zinc/31/22/49/212312249.db2.gz IVBDQAUJENCMSL-UHFFFAOYSA-N 0 0 345.464 4.554 10 0 EJAERN Cc1ccc(NC(=O)C2C[C@H]3CC[C@@H](C2)C32SCCS2)cc1C ZINC000022390352 212294401 /nfs/dbraw/zinc/29/44/01/212294401.db2.gz JCNLBRXCSRRSMV-MQVJKMGUSA-N 0 0 347.549 4.854 10 0 EJAERN CC(=O)Nc1cc2cc(-c3ccccc3)ccc2c(N2CCCCC2)n1 ZINC000211744408 241084507 /nfs/dbraw/zinc/08/45/07/241084507.db2.gz QKMHYHNOUDZLEV-UHFFFAOYSA-N 0 0 345.446 4.851 10 0 EJAERN O=C(Oc1ccccn1)c1c(Cl)n(-c2ccccc2)c2ccccc21 ZINC000211837559 241086153 /nfs/dbraw/zinc/08/61/53/241086153.db2.gz QYGBOWOHALPZJV-UHFFFAOYSA-N 0 0 348.789 4.898 10 0 EJAERN COc1cc2cccnc2c(NC(=O)c2cccc3ccccc32)c1 ZINC000000290462 201456993 /nfs/dbraw/zinc/45/69/93/201456993.db2.gz NRLFZVITZDNABU-UHFFFAOYSA-N 0 0 328.371 4.649 10 0 EJAERN CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000021142240 212211538 /nfs/dbraw/zinc/21/15/38/212211538.db2.gz WUDXNAGTGRZHTF-UHFFFAOYSA-N 0 0 327.815 4.868 10 0 EJAERN CC(C)CC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000021142237 212210701 /nfs/dbraw/zinc/21/07/01/212210701.db2.gz ZTVKCKZQYFYDIJ-UHFFFAOYSA-N 0 0 327.815 4.868 10 0 EJAERN O=C(c1cc2c(s1)-c1ccc(Cl)cc1SC2)N1CCCC1 ZINC000020867192 212178818 /nfs/dbraw/zinc/17/88/18/212178818.db2.gz IQIJXRGNMKMZRQ-UHFFFAOYSA-N 0 0 335.881 4.910 10 0 EJAERN Cc1nc(CC(=O)Nc2c(F)cccc2Oc2ccccc2)cs1 ZINC000069814249 203053771 /nfs/dbraw/zinc/05/37/71/203053771.db2.gz SUPUHQVIBPBEFE-UHFFFAOYSA-N 0 0 342.395 4.564 10 0 EJAERN Brc1ccc(Sc2ccc(Br)cn2)cc1 ZINC000071108028 203086283 /nfs/dbraw/zinc/08/62/83/203086283.db2.gz GNLPSIINXKIKGV-UHFFFAOYSA-N 0 0 345.059 4.758 10 0 EJAERN Oc1ccccc1Nc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000020321142 212118502 /nfs/dbraw/zinc/11/85/02/212118502.db2.gz PDIKMNPWNNFAIP-UHFFFAOYSA-N 0 0 337.379 4.947 10 0 EJAERN Cc1cc(C(=O)N2CCc3ccccc3C2)c2c(c1)C(C)=CC(C)(C)N2 ZINC000072441534 203225542 /nfs/dbraw/zinc/22/55/42/203225542.db2.gz CZTFKZWLUWFWIW-UHFFFAOYSA-N 0 0 346.474 4.801 10 0 EJAERN Cc1cc(N[C@H](C)c2ccc3c(c2)OCCO3)ccc1Br ZINC000019908130 212082869 /nfs/dbraw/zinc/08/28/69/212082869.db2.gz NKCGYSIJGMTCCD-GFCCVEGCSA-N 0 0 348.240 4.702 10 0 EJAERN Cc1cc(Br)ccc1NCc1cnn(-c2ccccc2)c1 ZINC000019905582 212082127 /nfs/dbraw/zinc/08/21/27/212082127.db2.gz SMUPUWUEEPUUHC-UHFFFAOYSA-N 0 0 342.240 4.555 10 0 EJAERN COc1cc([C@@H](C)Nc2ccc(Br)cc2C)ccc1O ZINC000019905633 212082087 /nfs/dbraw/zinc/08/20/87/212082087.db2.gz DCRMPAQRKOLTOY-LLVKDONJSA-N 0 0 336.229 4.645 10 0 EJAERN Fc1cc(Br)ccc1NCc1ccc(Br)o1 ZINC000019907971 212081900 /nfs/dbraw/zinc/08/19/00/212081900.db2.gz XZUGMPQKPVSOLA-UHFFFAOYSA-N 0 0 348.997 4.556 10 0 EJAERN CC(=O)c1c(F)cccc1Oc1ccc(F)cc1Br ZINC000019871412 212077381 /nfs/dbraw/zinc/07/73/81/212077381.db2.gz MNNUBQPAGWXYSH-UHFFFAOYSA-N 0 0 327.124 4.722 10 0 EJAERN Cc1cc(Br)ccc1-c1csc(Br)n1 ZINC000095751625 203767774 /nfs/dbraw/zinc/76/77/74/203767774.db2.gz CZGGJQLWCHQLSF-UHFFFAOYSA-N 0 0 333.048 4.644 10 0 EJAERN CCOc1ccc2cc(Br)ccc2c1Br ZINC000098177607 203986607 /nfs/dbraw/zinc/98/66/07/203986607.db2.gz IRKBQAVLKMZDKX-UHFFFAOYSA-N 0 0 330.019 4.764 10 0 EJAERN CC[C@H]1CCCC[C@@H]1OCc1ccc(OC)c(Br)c1 ZINC000103984152 204092021 /nfs/dbraw/zinc/09/20/21/204092021.db2.gz XFDJWWYVSQALJN-ZFWWWQNUSA-N 0 0 327.262 4.943 10 0 EJAERN C[C@@H](c1ccc(Cl)cc1)N(C)c1ccc(Br)cn1 ZINC000103989296 204092381 /nfs/dbraw/zinc/09/23/81/204092381.db2.gz KDRJZABMPYVLSU-JTQLQIEISA-N 0 0 325.637 4.695 10 0 EJAERN C[C@@H](c1cccc(Br)c1)n1c(Cl)nnc1C(C)(C)C ZINC000103928151 204089083 /nfs/dbraw/zinc/08/90/83/204089083.db2.gz AKJYKLFJKIWYDR-VIFPVBQESA-N 0 0 342.668 4.601 10 0 EJAERN CCc1c(Cl)ncnc1Oc1ccc(Br)cc1C ZINC000104208622 204099690 /nfs/dbraw/zinc/09/96/90/204099690.db2.gz UYXPHNGBOOOMFF-UHFFFAOYSA-N 0 0 327.609 4.556 10 0 EJAERN CC(C)c1c(Cl)ncnc1Oc1ccc(Br)cc1 ZINC000104221267 204101352 /nfs/dbraw/zinc/10/13/52/204101352.db2.gz YQEFOTRSMFQRCJ-UHFFFAOYSA-N 0 0 327.609 4.808 10 0 EJAERN C[C@H](Cc1ccco1)n1c(=S)[nH]c2cc(Br)ccc21 ZINC000049146625 213990011 /nfs/dbraw/zinc/99/00/11/213990011.db2.gz RXXGWLPVSQQVCY-SECBINFHSA-N 0 0 337.242 4.858 10 0 EJAERN CCCNc1cc(CCC)nc(-c2cc(Br)cs2)n1 ZINC000110448807 220037591 /nfs/dbraw/zinc/03/75/91/220037591.db2.gz YYALQQITVOQTQB-UHFFFAOYSA-N 0 0 340.290 4.742 10 0 EJAERN Cc1ccc(C(=O)[C@@H](C)Sc2ncccc2Br)cc1 ZINC000078772511 217117179 /nfs/dbraw/zinc/11/71/79/217117179.db2.gz VWDRFEVYFCEOOV-LLVKDONJSA-N 0 0 336.254 4.516 10 0 EJAERN CC(C)[C@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1cccs1 ZINC000015182680 211806464 /nfs/dbraw/zinc/80/64/64/211806464.db2.gz ZGQXWSHONOTJJB-LBPRGKRZSA-N 0 0 329.252 4.577 10 0 EJAERN Fc1ccc(Cl)cc1NCCOc1ccc(Br)cc1 ZINC000104004495 206482245 /nfs/dbraw/zinc/48/22/45/206482245.db2.gz BWGMMOZHSXTTII-UHFFFAOYSA-N 0 0 344.611 4.733 10 0 EJAERN c1ccc2c(c1)S[C@H](c1ccc3c(c1)OCO3)CCN2CC1CC1 ZINC000012242682 211330306 /nfs/dbraw/zinc/33/03/06/211330306.db2.gz SFZYASTVBSPHRG-IBGZPJMESA-N 0 0 339.460 4.869 10 0 EJAERN FC1(F)Oc2cc(C(Cl)(Cl)Cl)ccc2O[C@]1(F)Cl ZINC000091252137 217986778 /nfs/dbraw/zinc/98/67/78/217986778.db2.gz GXUAHBYFHCLRCQ-QMMMGPOBSA-N 0 0 341.927 4.739 10 0 EJAERN Cc1ccc(C)c(NC(=O)COc2cc(C)ccc2C(C)(C)C)c1 ZINC000005542462 210484477 /nfs/dbraw/zinc/48/44/77/210484477.db2.gz ZOXOBAGLPWHSMU-UHFFFAOYSA-N 0 0 325.452 4.927 10 0 EJAERN O=C1c2ccccc2[C@@H](Nc2ccc(F)cc2)N1Cc1ccccc1 ZINC000004960451 210340922 /nfs/dbraw/zinc/34/09/22/210340922.db2.gz QEQJLQSFVRRDIF-FQEVSTJZSA-N 0 0 332.378 4.592 10 0 EJAERN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC(=O)[C@]4(C)[C@H]3CC[C@]12C ZINC000118912687 221202447 /nfs/dbraw/zinc/20/24/47/221202447.db2.gz VRKZRMXFPPHWKJ-GKLTVPDCSA-N 0 0 332.484 4.530 10 0 EJAERN Cc1cc(C(=O)Sc2ccc(C)cc2)n(Cc2ccc(C)cc2)n1 ZINC000000127947 258047423 /nfs/dbraw/zinc/04/74/23/258047423.db2.gz JCBXOUNOMBIXDV-UHFFFAOYSA-N 0 0 336.460 4.789 10 0 EJAERN Nc1ccc2c(c1)N(Cc1ccc(Cl)cc1Cl)CCS2 ZINC000038051455 132396513 /nfs/dbraw/zinc/39/65/13/132396513.db2.gz RAKMJOIFFQYIRP-UHFFFAOYSA-N 0 0 325.264 4.688 10 0 EJAERN Nc1nc(Cc2ccc(Cl)cc2)ncc1-c1ccc(Cl)cc1 ZINC000169581824 226554149 /nfs/dbraw/zinc/55/41/49/226554149.db2.gz MVANHUKEMBLZEJ-UHFFFAOYSA-N 0 0 330.218 4.623 10 0 EJAERN C[C@@H](C1C(C)(C)C1(C)C)N(C(=O)c1ccc(N)cc1)c1ccccc1 ZINC000000045172 563213224 /nfs/dbraw/zinc/21/32/24/563213224.db2.gz RQBIIVCGYWGOPX-HNNXBMFYSA-N 0 0 336.479 4.986 10 0 EJAERN CC(=O)O[C@@]1(C)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000005726364 563547272 /nfs/dbraw/zinc/54/72/72/563547272.db2.gz RLIONZRKXHAVFB-ZCPXKWAGSA-N 0 0 344.495 4.840 10 0 EJAERN CC(C)c1ccc(NC(=O)CSc2cccc3c2NCCC3)cc1 ZINC000006513984 563570781 /nfs/dbraw/zinc/57/07/81/563570781.db2.gz QGOMJCGKKCLQBX-UHFFFAOYSA-N 0 0 340.492 4.899 10 0 EJAERN BrC(Br)=Cc1sccc1Br ZINC000222861256 563874755 /nfs/dbraw/zinc/87/47/55/563874755.db2.gz QIUIONGNDNZKBH-UHFFFAOYSA-N 0 0 346.869 4.599 10 0 EJAERN CCCOc1c(Cl)cc(/C=C/C(=O)OC(C)(C)C)cc1OCC ZINC000725273777 563988810 /nfs/dbraw/zinc/98/88/10/563988810.db2.gz DGSPROJHWISYPI-CMDGGOBGSA-N 0 0 340.847 4.882 10 0 EJAERN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCC(=O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000118912678 563992481 /nfs/dbraw/zinc/99/24/81/563992481.db2.gz SYTVBUBBHFDVIK-NGFSFWIMSA-N 0 0 332.484 4.530 10 0 EJAERN O=C(Nc1cccc(O)c1)c1cc(-c2ccc(Cl)c(Cl)c2)on1 ZINC000000425718 563998951 /nfs/dbraw/zinc/99/89/51/563998951.db2.gz WOIGKQBUTPOKPV-UHFFFAOYSA-N 0 0 349.173 4.606 10 0 EJAERN Cc1ccc(NC(=O)[C@H]2[C@@H]3CC[C@@H]4[C@@H](CC[C@@H]32)C4(Cl)Cl)cc1 ZINC000253495803 563999355 /nfs/dbraw/zinc/99/93/55/563999355.db2.gz RBSXVVJDEPZIAL-JKJDWNRSSA-N 0 0 338.278 4.790 10 0 EJAERN COc1ccc(-c2nc3ccccc3c(NCc3ccco3)n2)cc1 ZINC000005744976 564024970 /nfs/dbraw/zinc/02/49/70/564024970.db2.gz HFBIGYYADRVLHJ-UHFFFAOYSA-N 0 0 331.375 4.511 10 0 EJAERN O=C(C[C@H](c1cccs1)n1cccc1)N1CCCc2ccccc21 ZINC000020997091 564032964 /nfs/dbraw/zinc/03/29/64/564032964.db2.gz VMEQTGNWFPGJEA-GOSISDBHSA-N 0 0 336.460 4.509 10 0 EJAERN CC(C)OC(=O)Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1 ZINC000085899427 564035411 /nfs/dbraw/zinc/03/54/11/564035411.db2.gz MHHCYSFYLYXSJT-UHFFFAOYSA-N 0 0 339.370 4.635 10 0 EJAERN O=C(Nc1cc(Cl)cc(Cl)c1)OCc1nc2ccccc2[nH]1 ZINC000583652941 564075092 /nfs/dbraw/zinc/07/50/92/564075092.db2.gz IKJGXIUGEZFIPE-UHFFFAOYSA-N 0 0 336.178 4.618 10 0 EJAERN CCc1nc2c(-c3ccccc3)noc2c(Nc2cccc(OC)c2)n1 ZINC000064835243 564096693 /nfs/dbraw/zinc/09/66/93/564096693.db2.gz HFPSDOYBCIVEJE-UHFFFAOYSA-N 0 0 346.390 4.599 10 0 EJAERN Cc1c2cc(O)ccc2n(Cc2ccc(O)cc2)c1-c1ccc(O)cc1 ZINC000028768712 564117902 /nfs/dbraw/zinc/11/79/02/564117902.db2.gz JPMOCTUKPAGCTC-UHFFFAOYSA-N 0 0 345.398 4.782 10 0 EJAERN COc1cc(Cl)ccc1NC(=O)Oc1cccc2cccnc21 ZINC000048523937 564129284 /nfs/dbraw/zinc/12/92/84/564129284.db2.gz CWFYQIFPZWVVMY-UHFFFAOYSA-N 0 0 328.755 4.508 10 0 EJAERN COc1ccc(Nc2ncc(-c3ccccc3OC)s2)cc1OC ZINC000048554900 564129397 /nfs/dbraw/zinc/12/93/97/564129397.db2.gz AJWJDXVKQCJSGY-UHFFFAOYSA-N 0 0 342.420 4.580 10 0 EJAERN CCC[C@H](C)CC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960293 564177087 /nfs/dbraw/zinc/17/70/87/564177087.db2.gz CKUQRBWRTRMKJR-INIZCTEOSA-N 0 0 333.472 4.819 10 0 EJAERN CCC(CC)C(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960275 564177095 /nfs/dbraw/zinc/17/70/95/564177095.db2.gz BPARMKBZEPVEKB-UHFFFAOYSA-N 0 0 333.472 4.819 10 0 EJAERN CC(C)[C@H](C)C(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960586 564177147 /nfs/dbraw/zinc/17/71/47/564177147.db2.gz SSRHKPODHKWRGV-INIZCTEOSA-N 0 0 333.472 4.675 10 0 EJAERN CC(C)(C)CC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685962126 564177226 /nfs/dbraw/zinc/17/72/26/564177226.db2.gz VFLPWKJBDSZQEJ-UHFFFAOYSA-N 0 0 333.472 4.819 10 0 EJAERN O=C(CCCCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000013838494 571704585 /nfs/dbraw/zinc/70/45/85/571704585.db2.gz FAXXHNWVMKTOFF-UXBLZVDNSA-N 0 0 343.467 4.782 10 0 endogenous,in-man EJAERN Brc1cccc(Nc2ncnc3cc4[nH]ccc4cc32)c1 ZINC000000006271 581092125 /nfs/dbraw/zinc/09/21/25/581092125.db2.gz BBFWQWIFLDQYQQ-UHFFFAOYSA-N 0 0 339.196 4.617 10 0 EJAERN CCc1ccc([C@@H](NC)c2cc(Br)ccc2Cl)o1 ZINC000051727027 214101606 /nfs/dbraw/zinc/10/16/06/214101606.db2.gz OUCPLCRXSWHMTH-AWEZNQCLSA-N 0 0 328.637 4.567 10 0 EJAERN O=C(Cc1cccc(Cl)c1)c1cc(F)ccc1Br ZINC000052944784 214156495 /nfs/dbraw/zinc/15/64/95/214156495.db2.gz PVSGHJCLIAWGNH-UHFFFAOYSA-N 0 0 327.580 4.667 10 0 EJAERN COc1cccc(Nc2ccnc3cc(Br)ccc32)c1 ZINC000054202314 214222999 /nfs/dbraw/zinc/22/29/99/214222999.db2.gz ASLYITGVHIWNOT-UHFFFAOYSA-N 0 0 329.197 4.750 10 0 EJAERN Cc1c2nc(NCC(=O)c3ccc(F)cc3)sc2ccc1Cl ZINC000054643952 214247366 /nfs/dbraw/zinc/24/73/66/214247366.db2.gz QWACFBNKURBFDC-UHFFFAOYSA-N 0 0 334.803 4.692 10 0 EJAERN O[C@@H](Cc1ccc(Br)s1)c1ccc2ccccc2c1 ZINC000054440094 214238773 /nfs/dbraw/zinc/23/87/73/214238773.db2.gz XPDJHPJYBZAXIM-HNNXBMFYSA-N 0 0 333.250 4.940 10 0 EJAERN Nc1ccc(Cl)c(Cn2cc(Br)c3ccccc32)c1 ZINC000055309985 214305820 /nfs/dbraw/zinc/30/58/20/214305820.db2.gz WZRIGAWALHEZLR-UHFFFAOYSA-N 0 0 335.632 4.688 10 0 EJAERN Cc1ccc([C@@H](C)NC(=O)c2c(C)onc2-c2ccccc2Cl)o1 ZINC000098076782 219079727 /nfs/dbraw/zinc/07/97/27/219079727.db2.gz SBDKOJRVEJCUFW-LLVKDONJSA-N 0 0 344.798 4.696 10 0 EJAERN Nc1cc(F)c(F)cc1-c1nc2cc(Br)ccc2s1 ZINC000061563868 214665965 /nfs/dbraw/zinc/66/59/65/214665965.db2.gz SKVDNHMRLQTLFJ-UHFFFAOYSA-N 0 0 341.180 4.586 10 0 EJAERN FC(F)(F)C(F)(F)CCCOc1ccccc1Br ZINC000098210652 219087506 /nfs/dbraw/zinc/08/75/06/219087506.db2.gz HKXFPDMKVCXZFU-UHFFFAOYSA-N 0 0 333.094 4.806 10 0 EJAERN O[C@@H](Cc1ccccc1Cl)c1cc(Br)ccc1F ZINC000062137283 214701616 /nfs/dbraw/zinc/70/16/16/214701616.db2.gz NNOJLESKXLNOGX-AWEZNQCLSA-N 0 0 329.596 4.518 10 0 EJAERN CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)c1c(Cl)cccc1Cl)C2 ZINC000004336623 210174407 /nfs/dbraw/zinc/17/44/07/210174407.db2.gz BRTBKJYYKUTGHA-MNRXQERYSA-N 0 0 326.267 4.938 10 0 EJAERN CCCCOc1c(OC)cc(C=O)cc1Oc1ccccc1OCC ZINC000004227258 210149141 /nfs/dbraw/zinc/14/91/41/210149141.db2.gz HKYMXFUHHCBBOG-UHFFFAOYSA-N 0 0 344.407 4.878 10 0 EJAERN NC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccc(Cl)cc1 ZINC000003654295 210072555 /nfs/dbraw/zinc/07/25/55/210072555.db2.gz PUQHYHKIDHUKMB-UHFFFAOYSA-N 0 0 337.231 4.725 10 0 EJAERN C[C@H](Nc1ncnc2sc(Br)cc21)c1ccccc1 ZINC000066348348 215034741 /nfs/dbraw/zinc/03/47/41/215034741.db2.gz VRNQAFKWBFDABH-VIFPVBQESA-N 0 0 334.242 4.627 10 0 EJAERN O=C1CC(c2ccccc2)=Nc2ccccc2N1Cc1ccccc1F ZINC000102425886 219202926 /nfs/dbraw/zinc/20/29/26/219202926.db2.gz VWFTWFJWSXYODK-UHFFFAOYSA-N 0 0 344.389 4.883 10 0 EJAERN CC(C)n1c2ccc(Br)cc2nc1-c1ccsc1N ZINC000102939645 219242843 /nfs/dbraw/zinc/24/28/43/219242843.db2.gz DCUOWNGLHQIOBO-UHFFFAOYSA-N 0 0 336.258 4.690 10 0 EJAERN O=C1c2ccccc2CCC[C@@H]1Cc1sccc1Br ZINC000103931696 219330458 /nfs/dbraw/zinc/33/04/58/219330458.db2.gz IQTNPPSZBZELQJ-GFCCVEGCSA-N 0 0 335.266 4.889 10 0 EJAERN CCC[C@H]1CCC(=O)[C@H](Cc2ccc(F)c(Br)c2)C1 ZINC000103934717 219330499 /nfs/dbraw/zinc/33/04/99/219330499.db2.gz VNPWQKRQZPVWRQ-AAEUAGOBSA-N 0 0 327.237 4.916 10 0 EJAERN Clc1nc(-c2ccc(Br)s2)nc2c1CCCCC2 ZINC000103937570 219330500 /nfs/dbraw/zinc/33/05/00/219330500.db2.gz MONKETODZNRBNK-UHFFFAOYSA-N 0 0 343.677 4.890 10 0 EJAERN CC(C)[C@@H]1CCC(=O)[C@@H](Cc2ccc(F)cc2Br)C1 ZINC000103942774 219330883 /nfs/dbraw/zinc/33/08/83/219330883.db2.gz LQYLCWRQVUXILN-DGCLKSJQSA-N 0 0 327.237 4.772 10 0 EJAERN CC(C)[C@@H]1CCC(=O)[C@@H](Cc2ccc(Br)cc2F)C1 ZINC000103940145 219331526 /nfs/dbraw/zinc/33/15/26/219331526.db2.gz OXBGJBAGZIPVMH-DGCLKSJQSA-N 0 0 327.237 4.772 10 0 EJAERN CC(C)c1nc(N)sc1Cc1cc(Br)ccc1Cl ZINC000103950775 219331958 /nfs/dbraw/zinc/33/19/58/219331958.db2.gz UNNWCKJZDKQXNI-UHFFFAOYSA-N 0 0 345.693 4.855 10 0 EJAERN O=C(Cc1ccc(F)cc1Cl)c1cccc(Br)c1 ZINC000103948069 219332255 /nfs/dbraw/zinc/33/22/55/219332255.db2.gz LTXLTCWJBPPVGF-UHFFFAOYSA-N 0 0 327.580 4.667 10 0 EJAERN CCC[C@H]1CCC(=O)[C@@H](Cc2ccc(F)c(Br)c2)C1 ZINC000103934723 219329971 /nfs/dbraw/zinc/32/99/71/219329971.db2.gz VNPWQKRQZPVWRQ-WCQYABFASA-N 0 0 327.237 4.916 10 0 EJAERN Cc1nc(Cc2cccc(Br)c2)nc(Cl)c1C(C)C ZINC000103931983 219330155 /nfs/dbraw/zinc/33/01/55/219330155.db2.gz XBPAJIGUAFHWPH-UHFFFAOYSA-N 0 0 339.664 4.915 10 0 EJAERN Nc1cc(Cl)ccc1COc1ccc(Cl)cc1Br ZINC000103984258 219335787 /nfs/dbraw/zinc/33/57/87/219335787.db2.gz GJYNTPDXKUPMNS-UHFFFAOYSA-N 0 0 347.039 4.917 10 0 EJAERN Fc1cc(Br)ccc1OCCNc1ccc(Cl)cc1 ZINC000104001344 219337478 /nfs/dbraw/zinc/33/74/78/219337478.db2.gz LRSOINLOZHOICF-UHFFFAOYSA-N 0 0 344.611 4.733 10 0 EJAERN Cc1cc(Br)cc(C)c1NCc1cc(F)ccc1F ZINC000103991993 219337505 /nfs/dbraw/zinc/33/75/05/219337505.db2.gz RJAMKFWDOJAYAV-UHFFFAOYSA-N 0 0 326.184 4.956 10 0 EJAERN CCNc1cc(C(F)(F)F)nc2c(F)cc(Br)cc12 ZINC000104013541 219338932 /nfs/dbraw/zinc/33/89/32/219338932.db2.gz JUDGSWZDFVQNKQ-UHFFFAOYSA-N 0 0 337.114 4.587 10 0 EJAERN S=c1cc(-c2ccccc2)[nH]n1-c1ccc(Br)cc1 ZINC000104013891 219339482 /nfs/dbraw/zinc/33/94/82/219339482.db2.gz KATOTRWNIPLTMK-UHFFFAOYSA-N 0 0 331.238 4.591 10 0 EJAERN CC(C)c1c(Cl)nc(-c2ccc(Br)o2)nc1Cl ZINC000104132571 219349603 /nfs/dbraw/zinc/34/96/03/219349603.db2.gz IKJBKOZGLRPCAS-UHFFFAOYSA-N 0 0 336.016 4.929 10 0 EJAERN CCCNc1cc(CCC)nc2c(F)ccc(Br)c12 ZINC000104153982 219354697 /nfs/dbraw/zinc/35/46/97/219354697.db2.gz VFIXHSWXAKLVNJ-UHFFFAOYSA-N 0 0 325.225 4.911 10 0 EJAERN O=C(/C=C/c1ccccc1)Nc1ccnc2c1cccc2C(F)(F)F ZINC000041057607 213411816 /nfs/dbraw/zinc/41/18/16/213411816.db2.gz RVXBOXVDMIOZCI-MDZDMXLPSA-N 0 0 342.320 4.906 10 0 EJAERN O[C@H](Cc1cccc(Br)c1)c1cc2c(s1)CCCC2 ZINC000104182133 219355536 /nfs/dbraw/zinc/35/55/36/219355536.db2.gz YHZKJHCCKXGWAP-CQSZACIVSA-N 0 0 337.282 4.666 10 0 EJAERN O=C(Cc1c(F)cccc1Cl)c1ccc(Br)c(F)c1 ZINC000104185402 219356382 /nfs/dbraw/zinc/35/63/82/219356382.db2.gz GPJGMWHPULIQBY-UHFFFAOYSA-N 0 0 345.570 4.806 10 0 EJAERN CC(=O)c1sc(NC(=O)CCc2ccc(C(C)(C)C)cc2)nc1C ZINC000040995719 213407346 /nfs/dbraw/zinc/40/73/46/213407346.db2.gz XFXVONAETDKEQF-UHFFFAOYSA-N 0 0 344.480 4.523 10 0 EJAERN C[C@H](O)c1cc(F)ccc1Sc1ccc(Br)cc1 ZINC000104286494 219370279 /nfs/dbraw/zinc/37/02/79/219370279.db2.gz WBYGRVTWJUELTL-VIFPVBQESA-N 0 0 327.218 4.793 10 0 EJAERN CCc1oc2ccccc2c1[C@@H]([NH3+])c1sccc1Br ZINC000104295294 219371537 /nfs/dbraw/zinc/37/15/37/219371537.db2.gz JTZYBBMBNHIYAR-CQSZACIVSA-N 0 0 336.254 4.867 10 0 EJAERN C[C@@H](O)c1c(F)cccc1Sc1ccccc1Br ZINC000104297373 219372103 /nfs/dbraw/zinc/37/21/03/219372103.db2.gz IQWHTOPAHLJSID-SECBINFHSA-N 0 0 327.218 4.793 10 0 EJAERN Clc1cc(Br)cc(Cl)c1NC[C@@H]1CCCOC1 ZINC000104311638 219373081 /nfs/dbraw/zinc/37/30/81/219373081.db2.gz LXUFFHGHFHZGMX-QMMMGPOBSA-N 0 0 339.060 4.594 10 0 EJAERN Cc1cc(OCCCC(=O)N(C(C)C)C(C)C)cc(C)c1Cl ZINC000040912693 213399883 /nfs/dbraw/zinc/39/98/83/213399883.db2.gz RSEOSEAFEKNHFC-UHFFFAOYSA-N 0 0 325.880 4.761 10 0 EJAERN Cc1ccc2nc(NC(=O)COc3cc(C)cc(C)c3C)sc2c1 ZINC000040868579 213396274 /nfs/dbraw/zinc/39/62/74/213396274.db2.gz KCZWCJMSOJSOBJ-UHFFFAOYSA-N 0 0 340.448 4.547 10 0 EJAERN Cc1ccccc1Nc1ncnc(Nc2ccc(Cl)cc2)c1N ZINC000040781163 213386254 /nfs/dbraw/zinc/38/62/54/213386254.db2.gz PWQAVKMXSWQVEB-UHFFFAOYSA-N 0 0 325.803 4.508 10 0 EJAERN Nc1c(Nc2ccccc2Cl)ncnc1Nc1ccccc1Cl ZINC000040781272 213385885 /nfs/dbraw/zinc/38/58/85/213385885.db2.gz UNMAWILRSVQQIG-UHFFFAOYSA-N 0 0 346.221 4.853 10 0 EJAERN Cc1ccc(Sc2ncnc(Nc3ccccc3Cl)c2N)cc1 ZINC000040781291 213385529 /nfs/dbraw/zinc/38/55/29/213385529.db2.gz XASMNZKGXITOJX-UHFFFAOYSA-N 0 0 342.855 4.915 10 0 EJAERN Cc1ccc(Sc2ncnc(Nc3ccc(F)cc3F)c2N)cc1 ZINC000040783425 213387203 /nfs/dbraw/zinc/38/72/03/213387203.db2.gz JQPUZANEFYQTSL-UHFFFAOYSA-N 0 0 344.390 4.540 10 0 EJAERN Cc1ccccc1Nc1ncnc(Oc2ccc(Cl)c(C)c2)c1N ZINC000040781221 213386203 /nfs/dbraw/zinc/38/62/03/213386203.db2.gz QXCNOQZLSOEUDA-UHFFFAOYSA-N 0 0 340.814 4.865 10 0 EJAERN CN(c1ccccc1)c1ncnc(Nc2cccc3ccccc32)c1N ZINC000040757690 213383750 /nfs/dbraw/zinc/38/37/50/213383750.db2.gz FINWYOZXLSUPGS-UHFFFAOYSA-N 0 0 341.418 4.724 10 0 EJAERN Nc1c(Oc2cccc3cccnc32)ncnc1Sc1ccccc1 ZINC000040752153 213382375 /nfs/dbraw/zinc/38/23/75/213382375.db2.gz IBXKBNMKDUDJNJ-UHFFFAOYSA-N 0 0 346.415 4.551 10 0 EJAERN Cc1cc(Cl)ccc1Nc1ncnc(N(C)c2ccccc2)c1N ZINC000040703233 213371242 /nfs/dbraw/zinc/37/12/42/213371242.db2.gz OJXJSUHIXOWWQL-UHFFFAOYSA-N 0 0 339.830 4.532 10 0 EJAERN Cc1ccc(Nc2ncnc(Nc3cc(C)ccc3C)c2N)c(C)c1 ZINC000040704466 213372083 /nfs/dbraw/zinc/37/20/83/213372083.db2.gz ROEUIKPCYGNHTF-UHFFFAOYSA-N 0 0 333.439 4.780 10 0 EJAERN Cc1ccc(Oc2ncnc(Nc3cc(Cl)ccc3C)c2N)cc1 ZINC000040705022 213371574 /nfs/dbraw/zinc/37/15/74/213371574.db2.gz PJJCDHWTDVLXSG-UHFFFAOYSA-N 0 0 340.814 4.865 10 0 EJAERN Cc1cc(Cl)ccc1Nc1ncnc(Nc2ccccc2F)c1N ZINC000040703243 213371633 /nfs/dbraw/zinc/37/16/33/213371633.db2.gz SZOVMKWUTZKGSY-UHFFFAOYSA-N 0 0 343.793 4.647 10 0 EJAERN Cc1ccc(C)c(Nc2ncnc(Nc3cccc(Cl)c3)c2N)c1 ZINC000040704546 213371777 /nfs/dbraw/zinc/37/17/77/213371777.db2.gz OAPDIOQQZURLMX-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN Cc1cc(C)cc(Oc2ncnc(N(CC(C)C)CC(C)C)c2N)c1 ZINC000040681346 213367816 /nfs/dbraw/zinc/36/78/16/213367816.db2.gz AVWJKURCVRDDOE-UHFFFAOYSA-N 0 0 342.487 4.586 10 0 EJAERN CCN(c1ccccc1)c1ncnc(Nc2cc(C)ccc2C)c1N ZINC000040679438 213368533 /nfs/dbraw/zinc/36/85/33/213368533.db2.gz JYTHTGWFYJQPFM-UHFFFAOYSA-N 0 0 333.439 4.577 10 0 EJAERN CCOCCCn1c(Cc2ccccc2)nc2ccc(Cl)cc21 ZINC000040403269 213298831 /nfs/dbraw/zinc/29/88/31/213298831.db2.gz WEKLUDGHFCYWKD-UHFFFAOYSA-N 0 0 328.843 4.707 10 0 EJAERN Cc1cc(C)c2c(n1)sc1c2ncnc1SCC(=O)C(C)(C)C ZINC000040373657 213293853 /nfs/dbraw/zinc/29/38/53/213293853.db2.gz BOIAXDUDODGALT-UHFFFAOYSA-N 0 0 345.493 4.564 10 0 EJAERN Cc1ccccc1-c1nc2ccccc2n1CC(=O)c1ccccc1 ZINC000040239583 213285162 /nfs/dbraw/zinc/28/51/62/213285162.db2.gz MTNWHKODBBQCCY-UHFFFAOYSA-N 0 0 326.399 4.895 10 0 EJAERN COc1ccccc1Cn1c(CCc2ccccc2)nc2ccccc21 ZINC000040238222 213284347 /nfs/dbraw/zinc/28/43/47/213284347.db2.gz UZWVBQYIAZFMAW-UHFFFAOYSA-N 0 0 342.442 4.878 10 0 EJAERN Cc1cccc(OCCn2c3ccccc3nc2C(F)(F)F)c1C ZINC000040231780 213284212 /nfs/dbraw/zinc/28/42/12/213284212.db2.gz YBZLJCJPKFLUAA-UHFFFAOYSA-N 0 0 334.341 4.751 10 0 EJAERN CC(C)c1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 ZINC000040180072 213280238 /nfs/dbraw/zinc/28/02/38/213280238.db2.gz YOJPYZMMFXTAQA-UHFFFAOYSA-N 0 0 327.811 4.878 10 0 EJAERN COc1ccc(Oc2ccc(C(=O)Nc3ccccc3F)cc2)cc1 ZINC000040179118 213280036 /nfs/dbraw/zinc/28/00/36/213280036.db2.gz VFPVIADWBZATMK-UHFFFAOYSA-N 0 0 337.350 4.879 10 0 EJAERN COc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)oc2C)c1 ZINC000040178802 213279379 /nfs/dbraw/zinc/27/93/79/213279379.db2.gz XIVMZSDYNLZTJJ-UHFFFAOYSA-N 0 0 325.339 4.655 10 0 EJAERN Cc1ccc(Cc2ccc3nnc(-c4ccccc4Cl)n3c2)cc1 ZINC000038607956 213217988 /nfs/dbraw/zinc/21/79/88/213217988.db2.gz HXSRLOZFMIVVHZ-UHFFFAOYSA-N 0 0 333.822 4.949 10 0 EJAERN CCn1c(CNc2ccc(Br)cc2C)nc2ccccc21 ZINC000038046580 213197040 /nfs/dbraw/zinc/19/70/40/213197040.db2.gz LWPMHWVTLPVKDM-UHFFFAOYSA-N 0 0 344.256 4.739 10 0 EJAERN C[C@H](Nc1ccc(-n2cccn2)cc1)c1ccc(Br)s1 ZINC000038002639 213187912 /nfs/dbraw/zinc/18/79/12/213187912.db2.gz JPTLBMUAZJCYGI-NSHDSACASA-N 0 0 348.269 4.869 10 0 EJAERN Cc1ccc([C@H](C)N(C)C(=O)c2ccc(Br)cc2)s1 ZINC000037845911 213170501 /nfs/dbraw/zinc/17/05/01/213170501.db2.gz HTMIHFZAWMICMB-NSHDSACASA-N 0 0 338.270 4.652 10 0 EJAERN Cc1nn(C(C)C)c(C)c1NCc1ccc(Br)s1 ZINC000037787381 213167058 /nfs/dbraw/zinc/16/70/58/213167058.db2.gz ZPJNKUUYNQQUMQ-UHFFFAOYSA-N 0 0 328.279 4.517 10 0 EJAERN Brc1csc(CNc2cccc(N3CCCC3)c2)c1 ZINC000037775196 213166283 /nfs/dbraw/zinc/16/62/83/213166283.db2.gz CUQRWMHIMIRQKJ-UHFFFAOYSA-N 0 0 337.286 4.723 10 0 EJAERN C[C@](O)(Cc1ccccc1Cl)c1cccc(Br)c1 ZINC000037530985 213154534 /nfs/dbraw/zinc/15/45/34/213154534.db2.gz HDRARWVSQZMCEA-HNNXBMFYSA-N 0 0 325.633 4.553 10 0 EJAERN CCc1cc(OCc2ccc(N)cc2Br)ccc1Cl ZINC000037516198 213152826 /nfs/dbraw/zinc/15/28/26/213152826.db2.gz DWVHFEQWMBHEGU-UHFFFAOYSA-N 0 0 340.648 4.826 10 0 EJAERN Cc1ccc(NCc2cc(Br)cs2)c2cccnc12 ZINC000037101444 213132476 /nfs/dbraw/zinc/13/24/76/213132476.db2.gz XBEWFZSFFYATAN-UHFFFAOYSA-N 0 0 333.254 4.979 10 0 EJAERN Cc1ccc(-c2cc(CN(CC(C)C)C(=O)C(C)C)no2)c(C)c1 ZINC000036012332 213055167 /nfs/dbraw/zinc/05/51/67/213055167.db2.gz QJKJPIPVESOZRJ-UHFFFAOYSA-N 0 0 328.456 4.599 10 0 EJAERN CC(C)CN(Cc1cc(-c2ccc(F)cc2)on1)C(=O)C1CCCC1 ZINC000036004675 213054981 /nfs/dbraw/zinc/05/49/81/213054981.db2.gz FUZHBEQJUSPYAU-UHFFFAOYSA-N 0 0 344.430 4.656 10 0 EJAERN COc1cccc2c(C)cc(=O)n(Cc3ccc(Cl)cc3Cl)c12 ZINC000032530885 202226328 /nfs/dbraw/zinc/22/63/28/202226328.db2.gz FWVRIQQMLBYXBG-UHFFFAOYSA-N 0 0 348.229 4.674 10 0 EJAERN COc1cccc2c(C)cc(=O)n(Cc3ccc(Cl)c(Cl)c3)c12 ZINC000032530813 202226405 /nfs/dbraw/zinc/22/64/05/202226405.db2.gz VIWYUXLDHGRLLD-UHFFFAOYSA-N 0 0 348.229 4.674 10 0 EJAERN Cc1cc(=O)n(Cc2c(Cl)cccc2Cl)c2c(C)cccc12 ZINC000032530417 202226733 /nfs/dbraw/zinc/22/67/33/202226733.db2.gz GVIVYIBRJDFCCZ-UHFFFAOYSA-N 0 0 332.230 4.973 10 0 EJAERN Nc1ccc2nc(Sc3ccccc3Br)ccc2c1 ZINC000035344073 213023087 /nfs/dbraw/zinc/02/30/87/213023087.db2.gz BJKDZLUXYAIWCZ-UHFFFAOYSA-N 0 0 331.238 4.731 10 0 EJAERN O=C(CSc1ccc(F)cc1)c1ccccc1Br ZINC000035181463 213013736 /nfs/dbraw/zinc/01/37/36/213013736.db2.gz HEIIUPRHSPYJHY-UHFFFAOYSA-N 0 0 325.202 4.563 10 0 EJAERN CC(C)CSCCCC(=O)Nc1c(N)cc(Cl)cc1Cl ZINC000034957990 213002168 /nfs/dbraw/zinc/00/21/68/213002168.db2.gz BBUJGHIFKKEBJS-UHFFFAOYSA-N 0 0 335.300 4.684 10 0 EJAERN COc1ccc2c(c1)CCN(c1ccccc1)[C@H]2c1ccccc1F ZINC000033638411 212958650 /nfs/dbraw/zinc/95/86/50/212958650.db2.gz CLDQEJBTSNAYIU-JOCHJYFZSA-N 0 0 333.406 4.986 10 0 EJAERN c1[nH]nc(-c2ccccn2)c1-c1ccnc(-c2cnc3ccccc3c2)c1 ZINC000072118102 216012458 /nfs/dbraw/zinc/01/24/58/216012458.db2.gz RFKCWKYIWBNJBR-UHFFFAOYSA-N 0 0 349.397 4.749 10 0 EJAERN Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccncc3)nnc2c1 ZINC000035876196 202310777 /nfs/dbraw/zinc/31/07/77/202310777.db2.gz ZJQVYURHZFRKLA-UHFFFAOYSA-N 0 0 341.418 4.756 10 0 EJAERN CSc1ccc(CNc2cc(Br)ccc2F)cc1 ZINC000036750687 202330859 /nfs/dbraw/zinc/33/08/59/202330859.db2.gz HXSJBDAKOHBKRK-UHFFFAOYSA-N 0 0 326.234 4.922 10 0 EJAERN CC[C@@H]1CCCC[C@H]1OCC(=O)c1ccccc1Br ZINC000037342375 202339544 /nfs/dbraw/zinc/33/95/44/202339544.db2.gz FZSWXDYHBIGCHB-MLGOLLRUSA-N 0 0 325.246 4.617 10 0 EJAERN Nc1ccc(CSc2ccc(F)c(F)c2)c(Br)c1 ZINC000037516237 202345864 /nfs/dbraw/zinc/34/58/64/202345864.db2.gz SFEFVLKFZVPWSJ-UHFFFAOYSA-N 0 0 330.197 4.602 10 0 EJAERN COc1ccc(-c2nc(Cl)cc(C(C)C)n2)cc1Br ZINC000038052452 202390257 /nfs/dbraw/zinc/39/02/57/202390257.db2.gz NDTFEDURXCPLTO-UHFFFAOYSA-N 0 0 341.636 4.692 10 0 EJAERN Cc1ccc(C)c(OCCn2c3ccccc3nc2C(F)(F)F)c1 ZINC000040231784 202430022 /nfs/dbraw/zinc/43/00/22/202430022.db2.gz BHPRKAPWKAPHIV-UHFFFAOYSA-N 0 0 334.341 4.751 10 0 EJAERN Nc1c(Nc2ccc(F)cc2)ncnc1Oc1ccc2ccccc2c1 ZINC000040687827 202459106 /nfs/dbraw/zinc/45/91/06/202459106.db2.gz DPKMPHHZTXYAFD-UHFFFAOYSA-N 0 0 346.365 4.887 10 0 EJAERN Cc1ccc(Nc2ncnc(Nc3ccc(C)c(C)c3)c2N)cc1C ZINC000040702659 202459437 /nfs/dbraw/zinc/45/94/37/202459437.db2.gz PLFQPYIYPQXGCN-UHFFFAOYSA-N 0 0 333.439 4.780 10 0 EJAERN Cc1cccc(Nc2ncnc(Nc3cccc(Cl)c3)c2N)c1 ZINC000040781617 202464397 /nfs/dbraw/zinc/46/43/97/202464397.db2.gz QWDSUKZREDBTOO-UHFFFAOYSA-N 0 0 325.803 4.508 10 0 EJAERN Cc1ccc(Oc2ncnc(Nc3cccc(Cl)c3)c2N)cc1C ZINC000040781884 202464706 /nfs/dbraw/zinc/46/47/06/202464706.db2.gz VPBBKTSCUNUSFS-UHFFFAOYSA-N 0 0 340.814 4.865 10 0 EJAERN COc1ccc(Br)cc1C(=O)Cc1ccc(Cl)cc1 ZINC000037362960 213141506 /nfs/dbraw/zinc/14/15/06/213141506.db2.gz QVADIZGKCOHOFV-UHFFFAOYSA-N 0 0 339.616 4.537 10 0 EJAERN Cc1csc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)n1 ZINC000028712606 212632950 /nfs/dbraw/zinc/63/29/50/212632950.db2.gz WJRDPXRXBAOZMD-GFCCVEGCSA-N 0 0 345.276 4.537 10 0 EJAERN c1ccc2c(c1)cccc2-c1ccnc(N2CCc3ccccc3C2)n1 ZINC000072443393 216236028 /nfs/dbraw/zinc/23/60/28/216236028.db2.gz MWRFBSQKWCUYQE-UHFFFAOYSA-N 0 0 337.426 4.860 10 0 EJAERN Clc1ccc(-c2nc3nccc(-c4ccccc4Cl)n3n2)cc1 ZINC000072451476 216239371 /nfs/dbraw/zinc/23/93/71/216239371.db2.gz UJMNBRXCQJBTKF-UHFFFAOYSA-N 0 0 341.201 4.765 10 0 EJAERN O=C(OCc1ccccc1)N1CC=C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000261508799 201193336 /nfs/dbraw/zinc/19/33/36/201193336.db2.gz WZOGZJVHEQMWSK-QGZVFWFLSA-N 0 0 347.336 4.955 10 0 EJAERN O=c1c(Br)c(-c2cccc(Cl)c2)oc2ccccc12 ZINC000090494161 201371579 /nfs/dbraw/zinc/37/15/79/201371579.db2.gz QTWQJDHOBPCPKM-UHFFFAOYSA-N 0 0 335.584 4.876 10 0 EJAERN Cc1cccc(C(=O)N[C@H](C)c2ccccc2Br)c1C ZINC000023654790 212388760 /nfs/dbraw/zinc/38/87/60/212388760.db2.gz TYROGIQFGCDPKD-CYBMUJFWSA-N 0 0 332.241 4.557 10 0 EJAERN CCc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 ZINC000022672945 212316543 /nfs/dbraw/zinc/31/65/43/212316543.db2.gz IFDHHBIXNIONJI-UHFFFAOYSA-N 0 0 340.426 4.674 10 0 EJAERN CC(C)CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000022349035 212293332 /nfs/dbraw/zinc/29/33/32/212293332.db2.gz DEXRHYPZWSCVOO-UHFFFAOYSA-N 0 0 327.371 4.820 10 0 EJAERN CNc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c(F)c1F ZINC000196327556 241036170 /nfs/dbraw/zinc/03/61/70/241036170.db2.gz IBMLCGQLDODKQP-UHFFFAOYSA-N 0 0 338.663 4.866 10 0 EJAERN Cc1cccc(Oc2cccc(C(=O)Nc3ccc(F)cc3F)n2)c1 ZINC000211682097 241083324 /nfs/dbraw/zinc/08/33/24/241083324.db2.gz SNWHUKWDDYALMF-UHFFFAOYSA-N 0 0 340.329 4.713 10 0 EJAERN O=C(c1sc(Cl)nc1C(F)(F)F)c1cccc(Cl)c1 ZINC000217010493 241229561 /nfs/dbraw/zinc/22/95/61/241229561.db2.gz PCOLOBLMWIKYCK-UHFFFAOYSA-N 0 0 326.126 4.700 10 0 EJAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C2 ZINC000001044053 201496499 /nfs/dbraw/zinc/49/64/99/201496499.db2.gz NGJIKNUKAYRYJI-SEHCQNQUSA-N 0 0 326.267 4.938 10 0 EJAERN Clc1ccc(-c2nc3ncccn3c2NCc2ccccc2)cc1 ZINC000021631655 212234230 /nfs/dbraw/zinc/23/42/30/212234230.db2.gz AORAIOKFCDSBMN-UHFFFAOYSA-N 0 0 334.810 4.662 10 0 EJAERN O[C@@H](Cc1ccc(Cl)cc1)c1cc(Br)ccc1F ZINC000062140623 202794819 /nfs/dbraw/zinc/79/48/19/202794819.db2.gz RHGQLBOMHHHDTR-AWEZNQCLSA-N 0 0 329.596 4.518 10 0 EJAERN COc1cc(C=O)cc(Oc2cc(C)ccc2C(C)(C)C)c1OC ZINC000004227101 201594408 /nfs/dbraw/zinc/59/44/08/201594408.db2.gz UTKDBXYCNHUTOF-UHFFFAOYSA-N 0 0 328.408 4.915 10 0 EJAERN CCCCCCOc1ccc([C@@H](O)c2ccc(N(C)C)cc2)cc1 ZINC000005308604 201646946 /nfs/dbraw/zinc/64/69/46/201646946.db2.gz DNGLBVYNFCMISJ-NRFANRHFSA-N 0 0 327.468 4.793 10 0 EJAERN Cc1cc(Cl)ccc1OCC(=O)c1ccccc1Br ZINC000070132318 203074210 /nfs/dbraw/zinc/07/42/10/203074210.db2.gz RSBKASDEGIWBOD-UHFFFAOYSA-N 0 0 339.616 4.673 10 0 EJAERN Cc1cc(C=O)cc(C)c1OCc1ccc(Br)s1 ZINC000020424530 212128108 /nfs/dbraw/zinc/12/81/08/212128108.db2.gz KRIOPDBIUIYUDK-UHFFFAOYSA-N 0 0 325.227 4.519 10 0 EJAERN Nc1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020344627 212121118 /nfs/dbraw/zinc/12/11/18/212121118.db2.gz KQBUCHUPWZYNLJ-UHFFFAOYSA-N 0 0 348.246 4.559 10 0 EJAERN N[C@@H](c1cc2cc(Br)ccc2o1)c1ccc(Cl)cc1 ZINC000020389764 212124302 /nfs/dbraw/zinc/12/43/02/212124302.db2.gz CTXIXGGZEGAYNU-OAHLLOKOSA-N 0 0 336.616 4.897 10 0 EJAERN Cc1cc(-c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)on1 ZINC000020149013 212106484 /nfs/dbraw/zinc/10/64/84/212106484.db2.gz QINNOQKHPLWGBK-UHFFFAOYSA-N 0 0 336.778 4.812 10 0 in-vivo EJAERN CC[C@@H](Nc1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000019966316 212090882 /nfs/dbraw/zinc/09/08/82/212090882.db2.gz ABPIJHNHEFPWHO-CQSZACIVSA-N 0 0 334.213 4.741 10 0 EJAERN COc1ccc(OC)c(N[C@H](C)c2ccccc2Br)c1 ZINC000019910583 212082989 /nfs/dbraw/zinc/08/29/89/212082989.db2.gz NEHVMSWNANYLTQ-LLVKDONJSA-N 0 0 336.229 4.639 10 0 EJAERN CC(=O)c1cccc(NC(=O)c2c(C)sc3c(C)c(C)[nH]c32)c1 ZINC000075352935 203313147 /nfs/dbraw/zinc/31/31/47/203313147.db2.gz PUVIJJAOTIJTEB-UHFFFAOYSA-N 0 0 326.421 4.610 10 0 EJAERN Cc1cc(Br)ccc1N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000019905624 212081405 /nfs/dbraw/zinc/08/14/05/212081405.db2.gz KAENYQYAPYOMGM-LBPRGKRZSA-N 0 0 348.240 4.702 10 0 EJAERN COc1cc([C@H](C)Nc2ccc(C)cc2Br)ccc1O ZINC000019901657 212080877 /nfs/dbraw/zinc/08/08/77/212080877.db2.gz RBKAGEORJOLVIE-NSHDSACASA-N 0 0 336.229 4.645 10 0 EJAERN O=Cc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1 ZINC000085224326 203542398 /nfs/dbraw/zinc/54/23/98/203542398.db2.gz DSTCGJWJDCULEH-UHFFFAOYSA-N 0 0 338.410 4.536 10 0 EJAERN Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)oc2c1C(=O)CC(C)(C)C2 ZINC000040803106 213387669 /nfs/dbraw/zinc/38/76/69/213387669.db2.gz MUCGKEXQOWSAPH-UHFFFAOYSA-N 0 0 349.789 4.788 10 0 EJAERN C[C@@H](c1cccc(Cl)c1)N(C)c1ccc(Br)cn1 ZINC000103989304 204092254 /nfs/dbraw/zinc/09/22/54/204092254.db2.gz PSVSZAKTMMBJRK-JTQLQIEISA-N 0 0 325.637 4.695 10 0 EJAERN CC[C@@H]1CCC(=O)[C@@H](CCOc2cccc(Br)c2)C1 ZINC000103933265 204089526 /nfs/dbraw/zinc/08/95/26/204089526.db2.gz ALUSFYATOIHBTD-OLZOCXBDSA-N 0 0 325.246 4.613 10 0 EJAERN Cc1cc(Br)ccc1[C@H](O)Cc1ccc(Cl)cc1 ZINC000104177774 204098962 /nfs/dbraw/zinc/09/89/62/204098962.db2.gz UKFFXXVLYSJXRZ-OAHLLOKOSA-N 0 0 325.633 4.687 10 0 EJAERN C[C@@H](NC(=O)c1cc(-c2ccccc2F)ns1)c1cccs1 ZINC000078956081 217157382 /nfs/dbraw/zinc/15/73/82/217157382.db2.gz UGNJKQMJJMKIIJ-SNVBAGLBSA-N 0 0 332.425 4.502 10 0 EJAERN COc1cc(C=O)c(OCc2ccccc2)cc1OCc1ccccc1 ZINC000135911810 205482708 /nfs/dbraw/zinc/48/27/08/205482708.db2.gz YLJLNUPDSCGJTP-UHFFFAOYSA-N 0 0 348.398 4.666 10 0 EJAERN Cc1oc(-c2ccsc2)nc1CN1CCCC[C@H]1c1nccs1 ZINC000012055465 211285304 /nfs/dbraw/zinc/28/53/04/211285304.db2.gz YSNLIWIAQODEQL-HNNXBMFYSA-N 0 0 345.493 4.895 10 0 EJAERN CCC[C@@H](OC(=S)SC)c1cccc(NC(C)=O)c1Cl ZINC000091352835 217997474 /nfs/dbraw/zinc/99/74/74/217997474.db2.gz RVRYUGATNLGBOP-GFCCVEGCSA-N 0 0 331.890 4.804 10 0 EJAERN FC(F)(F)c1nc2cccnc2n1Cc1cc(Cl)ccc1Cl ZINC000095076871 218273725 /nfs/dbraw/zinc/27/37/25/218273725.db2.gz PPVSBUYCFHJYLK-UHFFFAOYSA-N 0 0 346.139 4.805 10 0 EJAERN C[C@@H](OCCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc[nH]1 ZINC000095089526 218279088 /nfs/dbraw/zinc/27/90/88/218279088.db2.gz WJUMZQSECKMDTL-HZPDHXFCSA-N 0 0 336.476 4.520 10 0 EJAERN C[C@H](OC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000095089341 218279305 /nfs/dbraw/zinc/27/93/05/218279305.db2.gz ZWNKMUJCMLLGJB-KBPBESRZSA-N 0 0 325.474 4.615 10 0 EJAERN CC(C)(C)OC(=O)n1cc(-c2cccc(N)c2)c2c1nccc2Cl ZINC000095937070 218451110 /nfs/dbraw/zinc/45/11/10/218451110.db2.gz FHXINULTSAJOHA-UHFFFAOYSA-N 0 0 343.814 4.722 10 0 EJAERN C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1 ZINC000007305198 210781325 /nfs/dbraw/zinc/78/13/25/210781325.db2.gz NFVPNQMSXBOHPO-ZDUSSCGKSA-N 0 0 345.851 4.533 10 0 EJAERN c1[nH]c2ccccc2c1Cc1nnc(CCSCc2ccccc2)o1 ZINC000006282349 210611575 /nfs/dbraw/zinc/61/15/75/210611575.db2.gz HEKKLPWUYHQLKR-UHFFFAOYSA-N 0 0 349.459 4.618 10 0 EJAERN O=C(Cn1c(Cl)nc2ccccc21)c1ccc(Cl)cc1Cl ZINC000032501115 258003559 /nfs/dbraw/zinc/00/35/59/258003559.db2.gz NCQIDSIARGGGMH-UHFFFAOYSA-N 0 0 339.609 4.879 10 0 EJAERN C[C@H]1c2ccccc2O[C@@H]1c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 ZINC000299752056 258007115 /nfs/dbraw/zinc/00/71/15/258007115.db2.gz SOMBAGLBFCGAKL-ZAUBIYILSA-N 0 0 348.402 4.552 10 0 EJAERN c1csc(CCCc2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)c1 ZINC000299745350 258008411 /nfs/dbraw/zinc/00/84/11/258008411.db2.gz YFZXRUZRTWOCOQ-FUHWJXTLSA-N 0 0 340.448 4.552 10 0 EJAERN Cc1ccc2oc(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)cc2c1 ZINC000129157702 534532978 /nfs/dbraw/zinc/53/29/78/534532978.db2.gz FLKTUBGBNVBENH-CHWSQXEVSA-N 0 0 325.330 4.592 10 0 EJAERN BrC(Br)=Cc1ccc(Br)cc1 ZINC000002564697 563441915 /nfs/dbraw/zinc/44/19/15/563441915.db2.gz WLRQSEXHEFWAJG-UHFFFAOYSA-N 0 0 340.840 4.537 10 0 EJAERN O=S(=O)(/C=C/c1ccccc1)c1ccc(Oc2ccccc2)cc1 ZINC000003096180 563471736 /nfs/dbraw/zinc/47/17/36/563471736.db2.gz HJZKQMLOGHENKO-FOCLMDBBSA-N 0 0 336.412 4.924 10 0 EJAERN Cc1ccc2nc(-c3ccccc3F)c(NC(=O)CC(C)(C)C)n2c1 ZINC000034913022 563485091 /nfs/dbraw/zinc/48/50/91/563485091.db2.gz WFGFUYYMTBKPAR-UHFFFAOYSA-N 0 0 339.414 4.824 10 0 EJAERN CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000004300883 563499320 /nfs/dbraw/zinc/49/93/20/563499320.db2.gz JZLMMQSLSDGJJE-VBNZEHGJSA-N 0 0 327.390 4.896 10 0 EJAERN Cc1cc(C)cc(NC(=O)/C=C/c2ccc(Br)cc2)c1 ZINC000005535059 563537293 /nfs/dbraw/zinc/53/72/93/563537293.db2.gz FMIXSQRXOIVOJE-VMPITWQZSA-N 0 0 330.225 4.718 10 0 EJAERN Cc1cccc(NC(=O)C2CCCCC2)c1NC(=O)c1ccccc1 ZINC000006035148 563557595 /nfs/dbraw/zinc/55/75/95/563557595.db2.gz HUJOSKPSLHPACW-UHFFFAOYSA-N 0 0 336.435 4.766 10 0 EJAERN Cc1csc([C@@H](C)N(C)Cc2nc(-c3ccccc3C)oc2C)n1 ZINC000014949756 563767641 /nfs/dbraw/zinc/76/76/41/563767641.db2.gz YADNHWZRWDJCEF-CQSZACIVSA-N 0 0 341.480 4.916 10 0 EJAERN Cc1cc(Br)c2nc(-c3ccc(Cl)s3)cn2c1 ZINC000409436727 563962138 /nfs/dbraw/zinc/96/21/38/563962138.db2.gz YFXDWUADKDFSKL-UHFFFAOYSA-N 0 0 327.634 4.787 10 0 EJAERN CCc1cc(C(C)C)nc2cc(I)ccc12 ZINC000669372240 564084062 /nfs/dbraw/zinc/08/40/62/564084062.db2.gz JYCSCYKRDUMFLX-UHFFFAOYSA-N 0 0 325.193 4.525 10 0 EJAERN O=S(=O)(c1[nH]c2ccccc2c1Cc1ccccc1)c1ccccc1 ZINC000536558971 564091419 /nfs/dbraw/zinc/09/14/19/564091419.db2.gz ZVDGGDMFOCJODE-UHFFFAOYSA-N 0 0 347.439 4.592 10 0 EJAERN O=C(Nc1cccc(Cl)c1)c1n[nH]c2c1CSc1ccccc1-2 ZINC000006723775 564096435 /nfs/dbraw/zinc/09/64/35/564096435.db2.gz ZSBVJKVNJZKMJC-UHFFFAOYSA-N 0 0 341.823 4.588 10 0 EJAERN COc1c(Cl)cccc1NC(=O)Oc1cccc2cccnc21 ZINC000048523936 564129278 /nfs/dbraw/zinc/12/92/78/564129278.db2.gz CMITZPVXWNHFFN-UHFFFAOYSA-N 0 0 328.755 4.508 10 0 EJAERN CCC[C@@H](C)C(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960406 564177125 /nfs/dbraw/zinc/17/71/25/564177125.db2.gz JFDOIPSUTRYCOB-MRXNPFEDSA-N 0 0 333.472 4.819 10 0 EJAERN CC(C)[C@@H](C)C(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960587 564177145 /nfs/dbraw/zinc/17/71/45/564177145.db2.gz SSRHKPODHKWRGV-MRXNPFEDSA-N 0 0 333.472 4.675 10 0 EJAERN CC[C@@H](C)CC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960677 564177148 /nfs/dbraw/zinc/17/71/48/564177148.db2.gz YJZLLPXVPCIFMF-MRXNPFEDSA-N 0 0 333.472 4.819 10 0 EJAERN CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H]([NH3+])C(=O)[O-] ZINC000002558954 571683227 /nfs/dbraw/zinc/68/32/27/571683227.db2.gz SYSLNQMKLROGCL-BCYUYYMPSA-N 0 0 325.518 4.551 10 0 endogenous,in-man EJAERN Brc1cccc(Nc2ncnc3ccc4cc[nH]c4c32)c1 ZINC000003815093 581092169 /nfs/dbraw/zinc/09/21/69/581092169.db2.gz DRORNTZBMUKMSZ-UHFFFAOYSA-N 0 0 339.196 4.617 10 0 EJAERN Nc1cc(Cl)ccc1CSc1ccc(Br)cc1 ZINC000050443855 214057220 /nfs/dbraw/zinc/05/72/20/214057220.db2.gz IURAATMMCVLUBP-UHFFFAOYSA-N 0 0 328.662 4.977 10 0 EJAERN O=C(Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)s1 ZINC000050518251 214058035 /nfs/dbraw/zinc/05/80/35/214058035.db2.gz KOGPKNHAHLHMIJ-UHFFFAOYSA-N 0 0 349.171 4.955 10 0 EJAERN Cc1ccc([C@H]([NH2+]Cc2ccccc2)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000053995102 214210109 /nfs/dbraw/zinc/21/01/09/214210109.db2.gz FPLVGQAIYDGXMD-YADHBBJMSA-N 0 0 345.442 4.694 10 0 EJAERN O=C(Cc1cc(Br)cs1)c1ccc(Cl)cc1F ZINC000062785190 214732258 /nfs/dbraw/zinc/73/22/58/214732258.db2.gz RZYDMJQFXMFLCH-UHFFFAOYSA-N 0 0 333.609 4.729 10 0 EJAERN Nc1cccc(Br)c1Cn1cc(Cl)c2ccccc21 ZINC000055310056 214305361 /nfs/dbraw/zinc/30/53/61/214305361.db2.gz ZVANTYGAOGOBEB-UHFFFAOYSA-N 0 0 335.632 4.688 10 0 EJAERN CCNC(=O)c1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000004675972 210245092 /nfs/dbraw/zinc/24/50/92/210245092.db2.gz YZLBMKFWNDFUGQ-CTDHHTNQSA-N 0 0 346.474 4.733 10 0 EJAERN Fc1ccc(CNc2cc(F)c(F)cc2F)c(Br)c1 ZINC000061094124 214655004 /nfs/dbraw/zinc/65/50/04/214655004.db2.gz NUJOVKZXTFIISH-UHFFFAOYSA-N 0 0 334.110 4.618 10 0 EJAERN Fc1c(F)c(F)c(-c2cnc3cc(Cl)ccc3n2)c(F)c1F ZINC000098177948 219086637 /nfs/dbraw/zinc/08/66/37/219086637.db2.gz LXDXAVKBLMOPHK-UHFFFAOYSA-N 0 0 330.643 4.646 10 0 EJAERN COc1ccc2c(c1)S/C(=C/C(=S)Nc1ccccc1)N2C ZINC000100071223 219089951 /nfs/dbraw/zinc/08/99/51/219089951.db2.gz DOWNCJYKXRRKRN-GZTJUZNOSA-N 0 0 328.462 4.518 10 0 EJAERN CCOC(=O)c1cnc2ccc(CC)cc2c1NCc1ccccc1 ZINC000004454599 210193533 /nfs/dbraw/zinc/19/35/33/210193533.db2.gz IDECOOQEXOZJCE-UHFFFAOYSA-N 0 0 334.419 4.586 10 0 EJAERN Cc1c2nc(NC(=O)/C=C/c3cccs3)sc2ccc1Cl ZINC000004264246 210155844 /nfs/dbraw/zinc/15/58/44/210155844.db2.gz VQAIQTHERWRDMT-QPJJXVBHSA-N 0 0 334.853 4.972 10 0 EJAERN Cc1cc(N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2cc(C(=O)[O-])ccc2[nH+]1 ZINC000004226478 210146635 /nfs/dbraw/zinc/14/66/35/210146635.db2.gz LLFZRONGQNLMHY-BTYIYWSLSA-N 0 0 338.451 4.646 10 0 EJAERN CCCCC(=O)N(Cc1ccco1)Cc1ccc(N2CCCCC2)o1 ZINC000047131715 213832159 /nfs/dbraw/zinc/83/21/59/213832159.db2.gz BWLYXRBUZJRPOV-UHFFFAOYSA-N 0 0 344.455 4.582 10 0 EJAERN COc1cc(/C=C/C(=O)OC/C=C(\C)CCC=C(C)C)ccc1O ZINC000101773702 219163959 /nfs/dbraw/zinc/16/39/59/219163959.db2.gz KSRDJVKWHDQVBQ-TWGDSDBMSA-N 0 0 330.424 4.650 10 0 EJAERN Clc1nc(Cc2ccccn2)nc2sc(-c3ccccc3)cc21 ZINC000003887731 210085493 /nfs/dbraw/zinc/08/54/93/210085493.db2.gz DYUROHZXAFNAFQ-UHFFFAOYSA-N 0 0 337.835 4.998 10 0 EJAERN Cc1nc2cc(CC3CCN(C(=O)OC(C)(C)C)CC3)ccc2s1 ZINC000066346626 215034588 /nfs/dbraw/zinc/03/45/88/215034588.db2.gz AEFYZQKQSITFJN-UHFFFAOYSA-N 0 0 346.496 4.794 10 0 EJAERN FC(F)(F)C1=C[C@@]2(CC(c3ccccc3)=NO2)c2ccccc2O1 ZINC000043464942 213584190 /nfs/dbraw/zinc/58/41/90/213584190.db2.gz PXMXKQCTLQOPNS-KRWDZBQOSA-N 0 0 331.293 4.545 10 0 EJAERN C[C@H](c1ccc(Cl)cc1)N(C)c1ccc(N)cc1Br ZINC000103940314 219331226 /nfs/dbraw/zinc/33/12/26/219331226.db2.gz MVKCMBHEXASYEN-SNVBAGLBSA-N 0 0 339.664 4.882 10 0 EJAERN O=C(Cc1ccc(F)c(Br)c1)c1ccc(F)c(Cl)c1 ZINC000103935188 219330040 /nfs/dbraw/zinc/33/00/40/219330040.db2.gz GYACDHNWRWBVFM-UHFFFAOYSA-N 0 0 345.570 4.806 10 0 EJAERN COc1cccc(SCCOc2ccc(Br)cc2)c1 ZINC000103982677 219336264 /nfs/dbraw/zinc/33/62/64/219336264.db2.gz NAJDSUNZGBTYDK-UHFFFAOYSA-N 0 0 339.254 4.629 10 0 EJAERN CNc1c2c(nc3c(Cl)ccc(Br)c31)CCCCC2 ZINC000103995733 219337080 /nfs/dbraw/zinc/33/70/80/219337080.db2.gz SLNXXCYEQSQMTO-UHFFFAOYSA-N 0 0 339.664 4.961 10 0 EJAERN C[C@@H](CNc1ccccc1)Oc1ccc(Br)cc1Cl ZINC000104016667 219339014 /nfs/dbraw/zinc/33/90/14/219339014.db2.gz LJHAMZRYWHXPLM-NSHDSACASA-N 0 0 340.648 4.982 10 0 EJAERN CC[C@H]1CCCC[C@@H]1OCCNc1ccccc1Br ZINC000104014745 219339403 /nfs/dbraw/zinc/33/94/03/219339403.db2.gz OLDQSNUREBLGQF-BBRMVZONSA-N 0 0 326.278 4.846 10 0 EJAERN O[C@H](c1cc2c(s1)CCCCC2)c1ccc(Br)cc1 ZINC000104021712 219340263 /nfs/dbraw/zinc/34/02/63/219340263.db2.gz SYAZXMUNNAZHJO-INIZCTEOSA-N 0 0 337.282 4.861 10 0 EJAERN CCN(Cc1ccc(F)cc1Br)c1ccc(F)cc1 ZINC000103970384 219334127 /nfs/dbraw/zinc/33/41/27/219334127.db2.gz VZQTUMFZTKKFLL-UHFFFAOYSA-N 0 0 326.184 4.754 10 0 EJAERN CCc1c(Cl)nc(Cc2ccc(Br)cc2)nc1Cl ZINC000104143339 219351769 /nfs/dbraw/zinc/35/17/69/219351769.db2.gz JQKSYEGSBFXOAX-UHFFFAOYSA-N 0 0 346.055 4.699 10 0 EJAERN Cc1cc(Nc2cc(Br)ccc2Cl)nc(Cl)n1 ZINC000104162635 219354510 /nfs/dbraw/zinc/35/45/10/219354510.db2.gz LXQHHDPSKAZLNL-UHFFFAOYSA-N 0 0 333.016 4.598 10 0 EJAERN COc1ccccc1C(=O)Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000041057409 213412006 /nfs/dbraw/zinc/41/20/06/213412006.db2.gz YLOPQDJKWGIVPM-UHFFFAOYSA-N 0 0 346.308 4.515 10 0 EJAERN N=C1c2cc(F)ccc2CN1c1ccc(Br)cc1Cl ZINC000104174849 219355429 /nfs/dbraw/zinc/35/54/29/219355429.db2.gz LCBBBDXVEWSCSF-UHFFFAOYSA-N 0 0 339.595 4.587 10 0 EJAERN O=Cc1cc(Cl)ccc1OCc1ccc(F)c(Br)c1 ZINC000104182366 219357028 /nfs/dbraw/zinc/35/70/28/219357028.db2.gz QWFLPMPQCIMCJO-UHFFFAOYSA-N 0 0 343.579 4.633 10 0 EJAERN CCCc1c(Cl)ncnc1Oc1ccc(C)cc1Br ZINC000104226148 219362603 /nfs/dbraw/zinc/36/26/03/219362603.db2.gz BJYARKCBBIXYJV-UHFFFAOYSA-N 0 0 341.636 4.946 10 0 EJAERN Nc1cccc(Cl)c1C[S@@](=O)c1cc(Cl)ccc1Cl ZINC000104316110 219372654 /nfs/dbraw/zinc/37/26/54/219372654.db2.gz IZVRIOOPIVZJGK-IBGZPJMESA-N 0 0 334.655 4.537 10 0 EJAERN CCC(=O)Oc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000040889902 213397325 /nfs/dbraw/zinc/39/73/25/213397325.db2.gz WKHQLCLMFVNSNG-UHFFFAOYSA-N 0 0 338.190 4.561 10 0 EJAERN Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000040868546 213395883 /nfs/dbraw/zinc/39/58/83/213395883.db2.gz KWVPQGNFQINQBY-UHFFFAOYSA-N 0 0 338.234 4.936 10 0 EJAERN Nc1c(Nc2cccc(Cl)c2)ncnc1Nc1ccccc1Cl ZINC000040781276 213385977 /nfs/dbraw/zinc/38/59/77/213385977.db2.gz HKGYWMMLUVBYNP-UHFFFAOYSA-N 0 0 346.221 4.853 10 0 EJAERN Cc1cc(Oc2ncnc(Nc3ccccc3)c2N)cc(C)c1Cl ZINC000040781103 213385592 /nfs/dbraw/zinc/38/55/92/213385592.db2.gz JIIFWMOROBUXKI-UHFFFAOYSA-N 0 0 340.814 4.865 10 0 EJAERN Cc1cc(Oc2ncnc(N(C)c3ccccc3)c2N)ccc1Cl ZINC000040757868 213383288 /nfs/dbraw/zinc/38/32/88/213383288.db2.gz JXXHQWPAMAXZLS-UHFFFAOYSA-N 0 0 340.814 4.581 10 0 EJAERN Nc1c(Nc2ccccc2F)ncnc1Sc1ccc(Cl)cc1 ZINC000040723008 213376183 /nfs/dbraw/zinc/37/61/83/213376183.db2.gz MLXKWCDZHSVQOQ-UHFFFAOYSA-N 0 0 346.818 4.746 10 0 EJAERN Nc1c(Nc2ccccc2)ncnc1Sc1ccc(Cl)cc1 ZINC000040723029 213376770 /nfs/dbraw/zinc/37/67/70/213376770.db2.gz CJKJXJVSCKIJTN-UHFFFAOYSA-N 0 0 328.828 4.607 10 0 EJAERN CCc1ccccc1Nc1ncnc(Oc2cc(C)cc(C)c2)c1N ZINC000040681233 213368568 /nfs/dbraw/zinc/36/85/68/213368568.db2.gz NTBTZZVAXUSHPJ-UHFFFAOYSA-N 0 0 334.423 4.774 10 0 EJAERN Cc1cc(C)cc(Oc2ncnc(Nc3ccc(C)c(C)c3)c2N)c1 ZINC000040681255 213368406 /nfs/dbraw/zinc/36/84/06/213368406.db2.gz MEOKNTAEPONFMS-UHFFFAOYSA-N 0 0 334.423 4.828 10 0 EJAERN Cc1ccc(Nc2ncnc(Nc3cc(C)cc(C)c3)c2N)c(C)c1 ZINC000040681908 213367939 /nfs/dbraw/zinc/36/79/39/213367939.db2.gz YFXBJLJKYVHBDD-UHFFFAOYSA-N 0 0 333.439 4.780 10 0 EJAERN Clc1ccc2c(c1)nc(COc1ccccc1)n2Cc1ccco1 ZINC000040409998 213300161 /nfs/dbraw/zinc/30/01/61/213300161.db2.gz NEXKZYTXOAMTIM-UHFFFAOYSA-N 0 0 338.794 4.910 10 0 EJAERN COc1ccc(CCn2c3ccccc3nc2-c2ccco2)cc1OC ZINC000040389982 213296396 /nfs/dbraw/zinc/29/63/96/213296396.db2.gz NBLSEKBWDULPDQ-UHFFFAOYSA-N 0 0 348.402 4.556 10 0 EJAERN Cc1cccc(C)c1NC(=O)Cn1c2ccccc2nc1-c1ccco1 ZINC000040307852 213291132 /nfs/dbraw/zinc/29/11/32/213291132.db2.gz VCBAMXPEAJIMFA-UHFFFAOYSA-N 0 0 345.402 4.552 10 0 EJAERN Cc1cc(NC(=O)COc2ccccc2)c2ccc(Cl)c(C)c2n1 ZINC000040359496 213292839 /nfs/dbraw/zinc/29/28/39/213292839.db2.gz VNYJZZUASAEIAM-UHFFFAOYSA-N 0 0 340.810 4.523 10 0 EJAERN COc1ccc(Nc2ccnc3c(C)c(Cl)ccc23)c(OC)c1 ZINC000040358950 213292846 /nfs/dbraw/zinc/29/28/46/213292846.db2.gz YCUQQQWONIGXEZ-UHFFFAOYSA-N 0 0 328.799 4.957 10 0 EJAERN O=C(Nc1ccccc1O)OCC1c2ccccc2-c2ccccc21 ZINC000104841345 219425741 /nfs/dbraw/zinc/42/57/41/219425741.db2.gz WYHCGXXOVZRLGB-UHFFFAOYSA-N 0 0 331.371 4.753 10 0 EJAERN COc1ccc(OCCCn2c3ccccc3nc2C(C)(C)C)cc1 ZINC000040239268 213284861 /nfs/dbraw/zinc/28/48/61/213284861.db2.gz ISEGRZPGTLTFPQ-UHFFFAOYSA-N 0 0 338.451 4.812 10 0 EJAERN CC(C)c1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C(C)C ZINC000040231414 213283550 /nfs/dbraw/zinc/28/35/50/213283550.db2.gz BDHDDOINRSYHCZ-UHFFFAOYSA-N 0 0 349.478 4.597 10 0 EJAERN Brc1ccc(Cn2c3ccccc3nc2C2CC2)cc1 ZINC000040231593 213283198 /nfs/dbraw/zinc/28/31/98/213283198.db2.gz HGKPNHYTTAKTTP-UHFFFAOYSA-N 0 0 327.225 4.725 10 0 EJAERN Cc1cccc(C)c1OCCn1c2ccccc2nc1-c1ccco1 ZINC000040239006 213283735 /nfs/dbraw/zinc/28/37/35/213283735.db2.gz HEWMBBZECDEUMW-UHFFFAOYSA-N 0 0 332.403 4.992 10 0 EJAERN O=C(Nc1ccc2ccccc2c1)C1=Cc2cc(Cl)ccc2OC1 ZINC000040180070 213280739 /nfs/dbraw/zinc/28/07/39/213280739.db2.gz OZQWIHVCFSWCHY-UHFFFAOYSA-N 0 0 335.790 4.908 10 0 EJAERN CC(C)(C)c1csc(COc2ccc(Br)cc2)n1 ZINC000040176411 213279955 /nfs/dbraw/zinc/27/99/55/213279955.db2.gz LWNCEIYLLXFZLF-UHFFFAOYSA-N 0 0 326.259 4.782 10 0 EJAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)N1CCc2ccccc2C1 ZINC000040178769 213279547 /nfs/dbraw/zinc/27/95/47/213279547.db2.gz USOYMGVMPOUZPD-UHFFFAOYSA-N 0 0 331.415 4.762 10 0 EJAERN COc1ccc(Oc2ccc(C(=O)NC3CCCCC3)cc2)cc1 ZINC000040179154 213279400 /nfs/dbraw/zinc/27/94/00/213279400.db2.gz IDZKQOMVIAJPEO-UHFFFAOYSA-N 0 0 325.408 4.550 10 0 EJAERN COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)oc1C ZINC000040178721 213279205 /nfs/dbraw/zinc/27/92/05/213279205.db2.gz HKYIPDIIAOVFLK-UHFFFAOYSA-N 0 0 349.386 4.602 10 0 EJAERN COc1ccc(C(C)=O)cc1NC(=O)c1cc(-c2ccccc2)oc1C ZINC000040178658 213278930 /nfs/dbraw/zinc/27/89/30/213278930.db2.gz DJNVXNGJYXOERB-UHFFFAOYSA-N 0 0 349.386 4.719 10 0 EJAERN CC(C)(C)[C@H]1CCCC[C@@]1(O)Cc1ccccc1Br ZINC000037530036 202006938 /nfs/dbraw/zinc/00/69/38/202006938.db2.gz VDZCBDOJJVBOOY-NVXWUHKLSA-N 0 0 325.290 4.959 10 0 EJAERN CCc1ccc2oc(C(=O)Nc3nnc(C(C)C)s3)c(C)c2c1 ZINC000040038030 213252394 /nfs/dbraw/zinc/25/23/94/213252394.db2.gz RGTCYNYHODBWDC-UHFFFAOYSA-N 0 0 329.425 4.531 10 0 EJAERN CCO[C@]1(Cc2ccccc2)c2ccccc2C(=O)N1c1ccccc1 ZINC000039630426 213240563 /nfs/dbraw/zinc/24/05/63/213240563.db2.gz IUOKHUBZFNROAG-HSZRJFAPSA-N 0 0 343.426 4.779 10 0 EJAERN CC(=O)Oc1ccc2oc(-c3ccccc3)c(Br)c2c1 ZINC000039199044 213231513 /nfs/dbraw/zinc/23/15/13/213231513.db2.gz HEGQUYIICKDWBX-UHFFFAOYSA-N 0 0 331.165 4.788 10 0 EJAERN CSc1ccc(NCc2cc(Br)ccc2F)cc1 ZINC000019906308 202025529 /nfs/dbraw/zinc/02/55/29/202025529.db2.gz ZRDKWQFRIWKICQ-UHFFFAOYSA-N 0 0 326.234 4.922 10 0 EJAERN Cc1ccc(/C=C\c2nc(-c3ccccc3O)n(-c3ccccc3)n2)o1 ZINC000038185496 213205336 /nfs/dbraw/zinc/20/53/36/213205336.db2.gz OFDHAJPRXHFCMB-YPKPFQOOSA-N 0 0 343.386 4.712 10 0 EJAERN COc1cc(Br)cc(C)c1N[C@H](C)c1scnc1C ZINC000037776794 202036828 /nfs/dbraw/zinc/03/68/28/202036828.db2.gz OUFPOIUCJYCLBR-SNVBAGLBSA-N 0 0 341.274 4.704 10 0 EJAERN Cc1cc([C@H](C)Nc2cccc(I)c2)c(C)o1 ZINC000020478206 202044215 /nfs/dbraw/zinc/04/42/15/202044215.db2.gz ZWJKOAYQAGPLFX-JTQLQIEISA-N 0 0 341.192 4.674 10 0 EJAERN Fc1ccc(NCc2nc3ccccc3s2)c(Br)c1 ZINC000038090419 202099641 /nfs/dbraw/zinc/09/96/41/202099641.db2.gz PVPROMNKKAVISI-UHFFFAOYSA-N 0 0 337.217 4.810 10 0 EJAERN Nc1cccc(-c2nc(-c3ccc(Br)s3)cs2)c1 ZINC000038002456 213187896 /nfs/dbraw/zinc/18/78/96/213187896.db2.gz ZYEJCUFSRKQAOV-UHFFFAOYSA-N 0 0 337.267 4.883 10 0 EJAERN Clc1ccc(Oc2ccc3cc(Br)ccc3c2)nn1 ZINC000037977892 213179980 /nfs/dbraw/zinc/17/99/80/213179980.db2.gz ITTZMAJJDJCTND-UHFFFAOYSA-N 0 0 335.588 4.838 10 0 EJAERN CCc1ncc(CNc2c(C)cc(Br)cc2C)s1 ZINC000037924706 213173263 /nfs/dbraw/zinc/17/32/63/213173263.db2.gz LWNHYQVUOWPOTB-UHFFFAOYSA-N 0 0 325.275 4.697 10 0 EJAERN CCOc1ccc(Cl)cc1NCc1ccc(Br)o1 ZINC000037780898 213167476 /nfs/dbraw/zinc/16/74/76/213167476.db2.gz PNPXPLKQNPUMHH-UHFFFAOYSA-N 0 0 330.609 4.706 10 0 EJAERN Nc1cccc(Br)c1CSc1ccc(F)c(F)c1 ZINC000037402436 213144633 /nfs/dbraw/zinc/14/46/33/213144633.db2.gz CYRZOAADLMGCTK-UHFFFAOYSA-N 0 0 330.197 4.602 10 0 EJAERN Cc1cc(OCc2c(N)cccc2Br)ccc1Cl ZINC000037402247 213144303 /nfs/dbraw/zinc/14/43/03/213144303.db2.gz DHKJKCYHIHJZKZ-UHFFFAOYSA-N 0 0 326.621 4.572 10 0 EJAERN Nc1cc(Cl)cc(Br)c1OCc1cccc(Cl)c1 ZINC000037288477 213139479 /nfs/dbraw/zinc/13/94/79/213139479.db2.gz LXIFYXNXKPGVGC-UHFFFAOYSA-N 0 0 347.039 4.917 10 0 EJAERN CC(C)(C)c1ccc(-c2cn3nc(Br)sc3n2)cc1 ZINC000037353219 213140305 /nfs/dbraw/zinc/14/03/05/213140305.db2.gz NHGFTUOIQPXSBG-UHFFFAOYSA-N 0 0 336.258 4.518 10 0 EJAERN Fc1cc(Br)cc2c(Cl)cc(C(F)(F)F)nc12 ZINC000036912955 213126536 /nfs/dbraw/zinc/12/65/36/213126536.db2.gz OWBCVGVZBRRHTN-UHFFFAOYSA-N 0 0 328.490 4.809 10 0 EJAERN Fc1ccc2c(c1)[nH]c(=S)n2-c1ccc(F)cc1Br ZINC000036898291 213125520 /nfs/dbraw/zinc/12/55/20/213125520.db2.gz BPGDOTDZMXTIFF-UHFFFAOYSA-N 0 0 341.180 4.729 10 0 EJAERN CCCn1cc(Cl)cc1C(=O)Nc1ccccc1Br ZINC000036856989 213123759 /nfs/dbraw/zinc/12/37/59/213123759.db2.gz FJPBINLYKDYTDY-UHFFFAOYSA-N 0 0 341.636 4.566 10 0 EJAERN Cc1nc(NC(=O)c2ccccc2)sc1Cc1ccc(Cl)cc1 ZINC000036639228 213106766 /nfs/dbraw/zinc/10/67/66/213106766.db2.gz AFJYPRJICTWQAP-UHFFFAOYSA-N 0 0 342.851 4.948 10 0 EJAERN Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccccn3)nnc2c1 ZINC000035899981 213051992 /nfs/dbraw/zinc/05/19/92/213051992.db2.gz BFOXYBNJTXZFPU-UHFFFAOYSA-N 0 0 341.418 4.756 10 0 EJAERN O=Cc1cccc(/C=C/c2ccc3ccc(Br)cc3n2)c1 ZINC000035570394 213039559 /nfs/dbraw/zinc/03/95/59/213039559.db2.gz FWCRMZVZNKJVJV-XBXARRHUSA-N 0 0 338.204 4.980 10 0 EJAERN CN[C@@H](c1ccc(Br)o1)c1cc(Cl)ccc1Cl ZINC000035501811 213032975 /nfs/dbraw/zinc/03/29/75/213032975.db2.gz UXTIUCJWKJVKTR-GFCCVEGCSA-N 0 0 335.028 4.658 10 0 EJAERN CCc1ccc(OCCCn2c(=O)cc(C)c3cccc(C)c32)cc1 ZINC000032530562 202225955 /nfs/dbraw/zinc/22/59/55/202225955.db2.gz QOHCSEOVPQFMHN-UHFFFAOYSA-N 0 0 335.447 4.650 10 0 EJAERN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)C2CC2)cc1 ZINC000033115575 202251223 /nfs/dbraw/zinc/25/12/23/202251223.db2.gz RANHCSXBYZLLJZ-QFIPXVFZSA-N 0 0 342.442 4.627 10 0 EJAERN Cc1ccc(CNc2ccc(C)c(I)c2)cc1 ZINC000035041855 213005628 /nfs/dbraw/zinc/00/56/28/213005628.db2.gz JFOKJUCFANHBGO-UHFFFAOYSA-N 0 0 337.204 4.520 10 0 EJAERN COc1cccc2nc(Cl)nc(NCC(C)(C)c3ccccc3)c21 ZINC000034949037 213002512 /nfs/dbraw/zinc/00/25/12/213002512.db2.gz JLEQOKDDRKNDTM-UHFFFAOYSA-N 0 0 341.842 4.682 10 0 EJAERN COc1ccc2c(c1)CCN(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000033638217 212958598 /nfs/dbraw/zinc/95/85/98/212958598.db2.gz HMALRTIODVSZQS-QFIPXVFZSA-N 0 0 333.406 4.986 10 0 EJAERN COc1ccccc1CNC(=O)c1cc(-c2ccc(C)c(C)c2)[nH]c1C ZINC000033139648 212902470 /nfs/dbraw/zinc/90/24/70/212902470.db2.gz IDEZOUJYPWTRTA-UHFFFAOYSA-N 0 0 348.446 4.546 10 0 EJAERN Cc1c(C)n(-c2ccccc2)c2ncnc(NCc3ccccc3)c12 ZINC000032960412 212881630 /nfs/dbraw/zinc/88/16/30/212881630.db2.gz ULLJWIDBEKBEEP-UHFFFAOYSA-N 0 0 328.419 4.649 10 0 EJAERN Cc1c(N)cccc1COc1ccc(Cl)cc1Br ZINC000035649384 213043486 /nfs/dbraw/zinc/04/34/86/213043486.db2.gz DIKCYMOXMRUIFZ-UHFFFAOYSA-N 0 0 326.621 4.572 10 0 EJAERN COc1ccc(Cl)c2ncnc(NCC(C)(C)c3ccccc3)c12 ZINC000034949033 202282502 /nfs/dbraw/zinc/28/25/02/202282502.db2.gz ZUGKOIHETUHICI-UHFFFAOYSA-N 0 0 341.842 4.682 10 0 EJAERN Cc1ccc(NCc2ccccc2C)cc1I ZINC000035041889 202284568 /nfs/dbraw/zinc/28/45/68/202284568.db2.gz FFWMBYZCYMLZIJ-UHFFFAOYSA-N 0 0 337.204 4.520 10 0 EJAERN Cc1ccccc1-c1nc(Br)c(Br)s1 ZINC000072192868 216068274 /nfs/dbraw/zinc/06/82/74/216068274.db2.gz VQEOEHCXSXGHAN-UHFFFAOYSA-N 0 0 333.048 4.644 10 0 EJAERN CN[C@H](c1ccc(Br)cc1)c1c(F)cccc1Cl ZINC000035463014 202304839 /nfs/dbraw/zinc/30/48/39/202304839.db2.gz ONWCTJAHQVNHPU-CQSZACIVSA-N 0 0 328.612 4.550 10 0 EJAERN Nc1ccc(SCc2cc(F)ccc2Br)c(F)c1 ZINC000037193997 202337496 /nfs/dbraw/zinc/33/74/96/202337496.db2.gz VQTAVVSBHHUTML-UHFFFAOYSA-N 0 0 330.197 4.602 10 0 EJAERN Cc1cc2c(nc(-c3cccnc3)nc2NCCc2ccccc2)s1 ZINC000072260811 216086089 /nfs/dbraw/zinc/08/60/89/216086089.db2.gz VAAYFXQTTUBMSX-UHFFFAOYSA-N 0 0 346.459 4.716 10 0 EJAERN Cc1cc(Nc2ncccc2Br)ccc1Br ZINC000071107502 202339524 /nfs/dbraw/zinc/33/95/24/202339524.db2.gz PXXWJQUNBWPADO-UHFFFAOYSA-N 0 0 342.034 4.659 10 0 EJAERN Fc1cccc([C@@H]2c3cccn3CCCN2Cc2cccs2)c1F ZINC000037523169 202345883 /nfs/dbraw/zinc/34/58/83/202345883.db2.gz SDZWSOJIHQDAAU-LJQANCHMSA-N 0 0 344.430 4.823 10 0 EJAERN CCCc1cc(Cl)nc(-c2ccc(OC)c(Br)c2)n1 ZINC000038052451 202389917 /nfs/dbraw/zinc/38/99/17/202389917.db2.gz OCGAKCINTUSIAH-UHFFFAOYSA-N 0 0 341.636 4.521 10 0 EJAERN O=C(/C=C/c1cccc(Cl)c1)Nc1nnc(C2CCCCC2)s1 ZINC000040945461 202468464 /nfs/dbraw/zinc/46/84/64/202468464.db2.gz ISJPZLGKOJBKFK-MDZDMXLPSA-N 0 0 347.871 4.891 10 0 EJAERN Cc1nc(N)sc1SCCOc1c(Cl)cccc1Cl ZINC000037037025 213131635 /nfs/dbraw/zinc/13/16/35/213131635.db2.gz ZTVSXCIMYWGXMF-UHFFFAOYSA-N 0 0 335.281 4.512 10 0 EJAERN O=C(c1c[nH]c2ccc(Br)cc12)c1ccc(Cl)cc1 ZINC000037364179 213141510 /nfs/dbraw/zinc/14/15/10/213141510.db2.gz WITQLJFCDWOZNA-UHFFFAOYSA-N 0 0 334.600 4.815 10 0 EJAERN C[C@H](Nc1c(Cl)cc(Br)cc1Cl)c1cc[nH]n1 ZINC000037907039 213172684 /nfs/dbraw/zinc/17/26/84/213172684.db2.gz HJAIGSWSFQCNTE-LURJTMIESA-N 0 0 335.032 4.652 10 0 EJAERN Clc1cccc(/C=C/c2ccnc(N3CCc4ccccc4C3)n2)c1 ZINC000072443613 216236507 /nfs/dbraw/zinc/23/65/07/216236507.db2.gz ZUCZHBXMLMFWDN-CMDGGOBGSA-N 0 0 347.849 4.863 10 0 EJAERN Cc1ccc(-c2nc3nccc(-c4cccc5ccccc54)n3n2)cc1 ZINC000072451529 216239779 /nfs/dbraw/zinc/23/97/79/216239779.db2.gz HNJISHGMCUGSPD-UHFFFAOYSA-N 0 0 336.398 4.920 10 0 EJAERN CC(C)[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1cccs1 ZINC000026802464 212536183 /nfs/dbraw/zinc/53/61/83/212536183.db2.gz KXRZOGMVNPAATR-GFCCVEGCSA-N 0 0 329.252 4.577 10 0 EJAERN N[C@@H](c1cc2cc(Cl)ccc2o1)c1ccc(Br)s1 ZINC000038002194 213187216 /nfs/dbraw/zinc/18/72/16/213187216.db2.gz XGSVHKGOAZDMQL-ZDUSSCGKSA-N 0 0 342.645 4.958 10 0 EJAERN CCCOc1ccc(C(=O)c2cccs2)cc1Br ZINC000083162865 201368141 /nfs/dbraw/zinc/36/81/41/201368141.db2.gz SWWARVWQPBHMJA-UHFFFAOYSA-N 0 0 325.227 4.530 10 0 EJAERN O=C(c1ccccc1)N1CCc2ccccc2[C@H]1c1ccccc1F ZINC000022671445 212315809 /nfs/dbraw/zinc/31/58/09/212315809.db2.gz BUTPHURYWHHSID-NRFANRHFSA-N 0 0 331.390 4.614 10 0 EJAERN FC(F)(F)c1cc(-c2cccc(Br)c2)nc(Cl)n1 ZINC000216614679 241202066 /nfs/dbraw/zinc/20/20/66/241202066.db2.gz MGNGTRRLZLMNPE-UHFFFAOYSA-N 0 0 337.526 4.578 10 0 EJAERN Cc1cccc(N2C(=O)S/C(=C\c3cn(C)c4ccccc34)C2=O)c1 ZINC000001198416 201499506 /nfs/dbraw/zinc/49/95/06/201499506.db2.gz SOZCANJJKGECCC-WQRHYEAKSA-N 0 0 348.427 4.728 10 0 EJAERN Nc1ccc(C(c2ccccc2)(c2ccc(N)cc2)C(F)(F)F)cc1 ZINC000005331623 201647857 /nfs/dbraw/zinc/64/78/57/201647857.db2.gz XESBFJAZUUSMGS-UHFFFAOYSA-N 0 0 342.364 4.748 10 0 EJAERN CC1(C)CC/C(=C\c2ccc(Cl)cc2)C[C@@]1(O)Cn1ccnc1 ZINC000020568270 212147956 /nfs/dbraw/zinc/14/79/56/212147956.db2.gz DMYSWZSVMPWRKX-KZIRBZLESA-N 0 0 330.859 4.561 10 0 EJAERN Nc1cccc(-c2nc(-c3cc(Br)ccc3F)cs2)c1 ZINC000076561061 216792470 /nfs/dbraw/zinc/79/24/70/216792470.db2.gz RSSXXCOMJSYWOC-UHFFFAOYSA-N 0 0 349.228 4.961 10 0 EJAERN C[C@H](Nc1ccccc1I)c1ccc(F)cc1 ZINC000020307021 212117803 /nfs/dbraw/zinc/11/78/03/212117803.db2.gz LLQVLIVISVYAJM-JTQLQIEISA-N 0 0 341.167 4.603 10 0 EJAERN COc1cccc(Nc2nc(-c3cccnc3)nc3sc(C)cc32)c1 ZINC000072260843 203186289 /nfs/dbraw/zinc/18/62/89/203186289.db2.gz IFCGDAFYTQBYEX-UHFFFAOYSA-N 0 0 348.431 4.814 10 0 EJAERN Cc1nn2cc3c(nc2c1-c1ccc(Cl)cc1)CC(C)(C)CC3=O ZINC000072464044 203229645 /nfs/dbraw/zinc/22/96/45/203229645.db2.gz OYNRLWABUUGPIQ-UHFFFAOYSA-N 0 0 339.826 4.513 10 0 EJAERN COc1ccc([C@@H](C)Nc2cccc(Br)c2)c(OC)c1 ZINC000019941883 212088479 /nfs/dbraw/zinc/08/84/79/212088479.db2.gz SKABIIWDSIVTRW-LLVKDONJSA-N 0 0 336.229 4.639 10 0 EJAERN COc1ccc(OC)c([C@@H](C)Nc2cccc(Br)c2)c1 ZINC000019941799 212088348 /nfs/dbraw/zinc/08/83/48/212088348.db2.gz WUJSKOHTUJUJQY-LLVKDONJSA-N 0 0 336.229 4.639 10 0 EJAERN COc1ccc(OC)c([C@H](C)Nc2cccc(Br)c2)c1 ZINC000019941801 212088181 /nfs/dbraw/zinc/08/81/81/212088181.db2.gz WUJSKOHTUJUJQY-NSHDSACASA-N 0 0 336.229 4.639 10 0 EJAERN C[C@@H](Nc1ccccc1Br)c1nc2ccccc2n1C ZINC000019922832 212084535 /nfs/dbraw/zinc/08/45/35/212084535.db2.gz IVTQQLXGKGBZHF-LLVKDONJSA-N 0 0 330.229 4.509 10 0 EJAERN COc1ccc([C@@H](C)Nc2ccc(Br)cc2F)cc1F ZINC000019908066 212081815 /nfs/dbraw/zinc/08/18/15/212081815.db2.gz SOYQPPPLHLVXEM-SECBINFHSA-N 0 0 342.183 4.909 10 0 EJAERN Nc1cc(Cl)ccc1SCc1cccc(Br)c1 ZINC000019815387 212072468 /nfs/dbraw/zinc/07/24/68/212072468.db2.gz ZRJXRMQIXNYDQR-UHFFFAOYSA-N 0 0 328.662 4.977 10 0 EJAERN Nc1cc(Br)ccc1Oc1ccccc1Br ZINC000019845907 212075320 /nfs/dbraw/zinc/07/53/20/212075320.db2.gz ROYKXBFDLSTPFI-UHFFFAOYSA-N 0 0 343.018 4.586 10 0 EJAERN O=C(/C=C\c1ccc(Br)cc1)Nc1cccc(Cl)c1 ZINC000096508046 203893760 /nfs/dbraw/zinc/89/37/60/203893760.db2.gz HURUSTZDCRHRCW-TWGQIWQCSA-N 0 0 336.616 4.754 10 0 EJAERN CC[C@H]1CCCC[C@H]1OCCOc1ccc(Br)cc1 ZINC000103982653 204092384 /nfs/dbraw/zinc/09/23/84/204092384.db2.gz GFGZUIWLDMLZIA-XJKSGUPXSA-N 0 0 327.262 4.813 10 0 EJAERN CC[C@@H](C)C[C@@H](O)c1ccc(Br)cc1C(F)(F)F ZINC000103932282 204089422 /nfs/dbraw/zinc/08/94/22/204089422.db2.gz NXNLVUSYBSZNRM-PRHODGIISA-N 0 0 325.168 4.938 10 0 EJAERN CC[C@@H]1CCCC[C@H]1OCc1ccc(OC)c(Br)c1 ZINC000103984156 204092677 /nfs/dbraw/zinc/09/26/77/204092677.db2.gz XFDJWWYVSQALJN-UKRRQHHQSA-N 0 0 327.262 4.943 10 0 EJAERN O=C(Cc1c(F)cccc1Cl)c1sccc1Br ZINC000104285718 204103165 /nfs/dbraw/zinc/10/31/65/204103165.db2.gz OQNDLRQMURTDCZ-UHFFFAOYSA-N 0 0 333.609 4.729 10 0 EJAERN C[C@@H](O)c1ccccc1N[C@H](C)c1ccc(Br)s1 ZINC000049543202 214015595 /nfs/dbraw/zinc/01/55/95/214015595.db2.gz YEHHXUZSDUDGOJ-NXEZZACHSA-N 0 0 326.259 4.737 10 0 EJAERN Cc1csc([C@H](C)N(C)Cc2nc(-c3ccccc3C)oc2C)n1 ZINC000014949759 211775498 /nfs/dbraw/zinc/77/54/98/211775498.db2.gz YADNHWZRWDJCEF-AWEZNQCLSA-N 0 0 341.480 4.916 10 0 EJAERN COc1cccc(F)c1Oc1ccc(NC(=O)OC(C)(C)C)cc1N ZINC000089194915 217774963 /nfs/dbraw/zinc/77/49/63/217774963.db2.gz FOOICFPPAISDFU-UHFFFAOYSA-N 0 0 348.374 4.556 10 0 EJAERN COc1cc(SC)ccc1C(=O)N1CCCSc2ccccc21 ZINC000012856809 211471116 /nfs/dbraw/zinc/47/11/16/211471116.db2.gz BRKXIGXRMHSOIL-UHFFFAOYSA-N 0 0 345.489 4.560 10 0 EJAERN c1cc(CN2CCc3c4ccccc4[nH]c3[C@@H]2C2CCCCC2)n[nH]1 ZINC000012316314 211343384 /nfs/dbraw/zinc/34/33/84/211343384.db2.gz MHCQYPTVLOPKDS-NRFANRHFSA-N 0 0 334.467 4.571 10 0 EJAERN Cc1sc(-c2ccc(C3OCCO3)cc2)cc1Br ZINC000090548873 217936880 /nfs/dbraw/zinc/93/68/80/217936880.db2.gz KREYVIWYANHIPK-UHFFFAOYSA-N 0 0 325.227 4.531 10 0 EJAERN FC(F)(Br)c1cccc(C(F)(F)Br)c1 ZINC000091251915 217986873 /nfs/dbraw/zinc/98/68/73/217986873.db2.gz ULVRHJUXLCNCDE-UHFFFAOYSA-N 0 0 335.920 4.575 10 0 EJAERN Clc1nc2ccccc2c(Nc2cccc(Br)c2)n1 ZINC000011756396 211245322 /nfs/dbraw/zinc/24/53/22/211245322.db2.gz XUSFEXXVSNYCTL-UHFFFAOYSA-N 0 0 334.604 4.789 10 0 EJAERN CN1[C@H]2C(c3ccccc3)=C(c3ccccc3)N1C(=O)c1ccccc12 ZINC000005353029 210447598 /nfs/dbraw/zinc/44/75/98/210447598.db2.gz TVXKXPPTTSKDMF-JOCHJYFZSA-N 0 0 338.410 4.612 10 0 EJAERN O=C1c2ccccc2[C@H](Nc2cccnc2)N1Cc1ccccc1Cl ZINC000004915113 210321923 /nfs/dbraw/zinc/32/19/23/210321923.db2.gz CSJUVXOLRGMDOM-LJQANCHMSA-N 0 0 349.821 4.502 10 0 aggregator EJAERN Cc1cc2[nH]c(-c3ccc(Cl)cc3)nc2c(Br)c1N ZINC000078400727 563970409 /nfs/dbraw/zinc/97/04/09/563970409.db2.gz LNGBPEPCLPZOGA-UHFFFAOYSA-N 0 0 336.620 4.536 10 0 EJAERN COc1ccc2c(c1CC=C(C)C)O[C@@H](c1ccc(O)cc1O)CC2 ZINC000014819210 560098951 /nfs/dbraw/zinc/09/89/51/560098951.db2.gz OAUAVKGFNHNNGR-HXUWFJFHSA-N 0 0 340.419 4.681 10 0 endogenous,in-man EJAERN O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1O ZINC000000006168 560176639 /nfs/dbraw/zinc/17/66/39/560176639.db2.gz KRHJDJMOIKRPNN-UHFFFAOYSA-N 0 0 330.693 4.708 10 0 in-vitro EJAERN CC(C)CCCCCCCCCCCCCC(=O)OC[C@H](O)CO ZINC000005757967 560202825 /nfs/dbraw/zinc/20/28/25/560202825.db2.gz NYBWZWSQGCROAE-LJQANCHMSA-N 0 0 344.536 4.610 10 0 in-vitro EJAERN CCN(CC)c1cc(C)c2cc(NC(=O)c3cccs3)ccc2n1 ZINC000000213114 563261251 /nfs/dbraw/zinc/26/12/51/563261251.db2.gz XHSAIGFLHNJOKP-UHFFFAOYSA-N 0 0 339.464 4.703 10 0 EJAERN Cc1ccc(NC(=O)/C=C/c2ccc(Br)cc2)cc1C ZINC000005618131 563543269 /nfs/dbraw/zinc/54/32/69/563543269.db2.gz PGFTZXZNBOMNNZ-UXBLZVDNSA-N 0 0 330.225 4.718 10 0 EJAERN COc1ccc2c(c1CC=C(C)C)O[C@H](c1ccc(O)cc1O)CC2 ZINC000014819208 563765274 /nfs/dbraw/zinc/76/52/74/563765274.db2.gz OAUAVKGFNHNNGR-FQEVSTJZSA-N 0 0 340.419 4.681 10 0 endogenous,in-man EJAERN BrC(Br)=Cc1cccc(Br)c1 ZINC000135952794 563874411 /nfs/dbraw/zinc/87/44/11/563874411.db2.gz ZSXVVKWUJUOUSP-UHFFFAOYSA-N 0 0 340.840 4.537 10 0 EJAERN CCOC(=O)c1c(C)nc(-c2ccc(Cl)cc2)cc1C(F)F ZINC000409430826 563962065 /nfs/dbraw/zinc/96/20/65/563962065.db2.gz WVZYEDBQLIQSKP-UHFFFAOYSA-N 0 0 325.742 4.825 10 0 EJAERN O=c1cc(C(F)(F)F)nc(Nc2ccc(Oc3ccccc3)cc2)[nH]1 ZINC000071405449 563964318 /nfs/dbraw/zinc/96/43/18/563964318.db2.gz LXGIXEPHXBDYHX-UHFFFAOYSA-N 0 0 347.296 4.737 10 0 EJAERN CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1C[C@@H](O)C(C)=C[C@@H]21 ZINC000005513519 564077411 /nfs/dbraw/zinc/07/74/11/564077411.db2.gz INKUWBOHCFHXTJ-BRWVUGGUSA-N 0 0 330.468 4.707 10 0 world EJAERN Cc1oc(-c2ccc(C)cc2)nc1CSc1nc2ncccc2o1 ZINC000006915454 564101454 /nfs/dbraw/zinc/10/14/54/564101454.db2.gz YZJMHYDYUYAGBT-UHFFFAOYSA-N 0 0 337.404 4.787 10 0 EJAERN CC(=O)O[C@@]1(C)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000032106756 564129135 /nfs/dbraw/zinc/12/91/35/564129135.db2.gz RLIONZRKXHAVFB-UQOPEDAQSA-N 0 0 344.495 4.840 10 0 EJAERN Nc1cccc(/C=N/c2cccc(/C=N/c3cccc(C=O)c3)c2)c1 ZINC000048564366 564129424 /nfs/dbraw/zinc/12/94/24/564129424.db2.gz CKQVDKBHITZLTM-RNIAWFEPSA-N 0 0 327.387 4.583 10 0 EJAERN CCCc1cc2c(cc1Cc1ccc3c(c1CCC)OCO3)OCO2 ZINC000077273603 564134166 /nfs/dbraw/zinc/13/41/66/564134166.db2.gz WIEJLBMZESIILX-UHFFFAOYSA-N 0 0 340.419 4.640 10 0 in-vitro EJAERN C[C@H](O)c1cc(Cl)ccc1OCc1sccc1Br ZINC000050210870 214050923 /nfs/dbraw/zinc/05/09/23/214050923.db2.gz WBXVGILGKVGXAT-QMMMGPOBSA-N 0 0 347.661 4.796 10 0 EJAERN C[C@@H](Nc1ccc(Cl)cc1C(N)=S)c1ccc(Cl)s1 ZINC000052858637 214150969 /nfs/dbraw/zinc/15/09/69/214150969.db2.gz BBJJCDRTNUZMRR-SSDOTTSWSA-N 0 0 331.293 4.862 10 0 EJAERN O[C@@H](c1cccc(Br)c1)c1cccc(C(F)(F)F)c1 ZINC000055201614 214288573 /nfs/dbraw/zinc/28/85/73/214288573.db2.gz SMOAXJJEJVFROF-CYBMUJFWSA-N 0 0 331.131 4.550 10 0 EJAERN Fc1ccc(CNc2cc(F)cc(F)c2F)c(Br)c1 ZINC000061095386 214654966 /nfs/dbraw/zinc/65/49/66/214654966.db2.gz UNWGSARYKKJMPZ-UHFFFAOYSA-N 0 0 334.110 4.618 10 0 EJAERN O[C@H](Cc1ccc(Br)cc1F)c1ccc(F)cc1Cl ZINC000061845927 214680496 /nfs/dbraw/zinc/68/04/96/214680496.db2.gz FCNDWYVZZNDMOY-CQSZACIVSA-N 0 0 347.586 4.657 10 0 EJAERN CC(C)c1ccc(NC(=S)N[C@@H]2C[C@H]3C[C@@H]2[C@H]2C=CC[C@H]32)cc1 ZINC000004307291 210166789 /nfs/dbraw/zinc/16/67/89/210166789.db2.gz PBMKSBCBTDGDDZ-IQZDNPOKSA-N 0 0 326.509 4.697 10 0 EJAERN C[C@@H](Oc1ccccc1Br)C(=O)c1cccc(Cl)c1 ZINC000047820408 213870152 /nfs/dbraw/zinc/87/01/52/213870152.db2.gz FMXUCUYXLFFTFV-SNVBAGLBSA-N 0 0 339.616 4.753 10 0 EJAERN Cc1ccc(O)c([C@H](CC(=O)NC2CCCCC2)c2ccccc2)c1 ZINC000003616006 210067729 /nfs/dbraw/zinc/06/77/29/210067729.db2.gz HFQFFTBBMFPMGN-LJQANCHMSA-N 0 0 337.463 4.672 10 0 EJAERN CCC[C@@H]1CCC(=O)[C@@H](Cc2ccc(F)c(Br)c2)C1 ZINC000103934719 219330554 /nfs/dbraw/zinc/33/05/54/219330554.db2.gz VNPWQKRQZPVWRQ-DGCLKSJQSA-N 0 0 327.237 4.916 10 0 EJAERN O=C(Cc1cc(Br)ccc1F)c1cccc(Cl)c1 ZINC000103935154 219330613 /nfs/dbraw/zinc/33/06/13/219330613.db2.gz JAJOKDWTPLBTOI-UHFFFAOYSA-N 0 0 327.580 4.667 10 0 EJAERN C[C@@H](c1cccc(Cl)c1)N(C)c1ccc(N)cc1Br ZINC000103941724 219331093 /nfs/dbraw/zinc/33/10/93/219331093.db2.gz DTZIZNGBAKXSGC-JTQLQIEISA-N 0 0 339.664 4.882 10 0 EJAERN CCc1ccc(COc2c(N)cc(Cl)cc2Br)cc1 ZINC000103949420 219331852 /nfs/dbraw/zinc/33/18/52/219331852.db2.gz LFEIUMZFHVZQSG-UHFFFAOYSA-N 0 0 340.648 4.826 10 0 EJAERN O=C(Cc1ccc(F)cc1Cl)c1ccc(Br)cc1 ZINC000103951327 219332222 /nfs/dbraw/zinc/33/22/22/219332222.db2.gz BGGURAAXHGGRFV-UHFFFAOYSA-N 0 0 327.580 4.667 10 0 EJAERN C[C@H](c1cccc(Br)c1)n1c(Cl)nnc1C(C)(C)C ZINC000103928154 219329303 /nfs/dbraw/zinc/32/93/03/219329303.db2.gz AKJYKLFJKIWYDR-SECBINFHSA-N 0 0 342.668 4.601 10 0 EJAERN Cc1nc(Cc2ccccc2Br)nc(Cl)c1C(C)C ZINC000103930532 219330043 /nfs/dbraw/zinc/33/00/43/219330043.db2.gz IMJJVODHUQGANT-UHFFFAOYSA-N 0 0 339.664 4.915 10 0 EJAERN C[C@H](c1ccc(Cl)cc1)N(C)c1ccc(Br)cn1 ZINC000103989299 219336278 /nfs/dbraw/zinc/33/62/78/219336278.db2.gz KDRJZABMPYVLSU-SNVBAGLBSA-N 0 0 325.637 4.695 10 0 EJAERN CCNc1cc(C(F)(F)F)nc2c(Br)cc(C)cc12 ZINC000103998747 219336876 /nfs/dbraw/zinc/33/68/76/219336876.db2.gz SRKZFIMJVSDZSI-UHFFFAOYSA-N 0 0 333.151 4.756 10 0 EJAERN CCNc1cc(C(F)(F)F)nc2c(C)ccc(Br)c12 ZINC000103995713 219336997 /nfs/dbraw/zinc/33/69/97/219336997.db2.gz OMUMFIYWQPQVNW-UHFFFAOYSA-N 0 0 333.151 4.756 10 0 EJAERN C[C@H](CNc1ccccc1)Oc1ccc(Cl)cc1Br ZINC000104009552 219338009 /nfs/dbraw/zinc/33/80/09/219338009.db2.gz AQJBSUAEVCHCEK-LLVKDONJSA-N 0 0 340.648 4.982 10 0 EJAERN COc1ccc(CNc2cc(Br)ccc2Cl)cc1F ZINC000103973351 219333820 /nfs/dbraw/zinc/33/38/20/219333820.db2.gz UPZCFXFIYQFKFZ-UHFFFAOYSA-N 0 0 344.611 4.862 10 0 EJAERN Fc1ccc(Br)cc1NCc1ccc(Cl)c(F)c1 ZINC000104037330 219341042 /nfs/dbraw/zinc/34/10/42/219341042.db2.gz HOVLVPGFAPCPNQ-UHFFFAOYSA-N 0 0 332.575 4.993 10 0 EJAERN Cc1ccc(NC[C@H](O)c2ccccc2Cl)cc1Br ZINC000104056678 219342238 /nfs/dbraw/zinc/34/22/38/219342238.db2.gz UVUZSHVBHLEYBH-HNNXBMFYSA-N 0 0 340.648 4.556 10 0 EJAERN CC(C)N(Cc1cccs1)c1cc(Br)ccc1C=O ZINC000104168527 219354816 /nfs/dbraw/zinc/35/48/16/219354816.db2.gz HZFHSQIZNWZEDR-UHFFFAOYSA-N 0 0 338.270 4.738 10 0 EJAERN CC(C)c1c(Cl)ncnc1NCc1ccc(Br)cc1 ZINC000104221295 219362013 /nfs/dbraw/zinc/36/20/13/219362013.db2.gz QWBGGEXKFMFLIA-UHFFFAOYSA-N 0 0 340.652 4.628 10 0 EJAERN COc1ccc(OC(=O)c2sc3ccc(OC)cc3c2Cl)cc1 ZINC000041008029 213408014 /nfs/dbraw/zinc/40/80/14/213408014.db2.gz CPEDOXSOEWNUQT-UHFFFAOYSA-N 0 0 348.807 4.791 10 0 EJAERN CCCc1c(Cl)ncnc1Oc1ccccc1Br ZINC000104224700 219363640 /nfs/dbraw/zinc/36/36/40/219363640.db2.gz TWKQAGZTXXYBSE-UHFFFAOYSA-N 0 0 327.609 4.637 10 0 EJAERN CN(Cc1csc(Br)c1)c1ccc(N)cc1C(F)F ZINC000104210314 219360619 /nfs/dbraw/zinc/36/06/19/219360619.db2.gz XQYBQHVSNKRRHQ-UHFFFAOYSA-N 0 0 347.228 4.667 10 0 EJAERN CC(C)Oc1ccc(C(=O)c2sccc2Br)cc1 ZINC000104292604 219370346 /nfs/dbraw/zinc/37/03/46/219370346.db2.gz YIHFXNKTAGFREG-UHFFFAOYSA-N 0 0 325.227 4.529 10 0 EJAERN Cc1cc(Br)ccc1OCc1c(N)cccc1Cl ZINC000104304155 219372505 /nfs/dbraw/zinc/37/25/05/219372505.db2.gz YKZPNZCODYLPGL-UHFFFAOYSA-N 0 0 326.621 4.572 10 0 EJAERN CC(C)c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1 ZINC000040942386 213402357 /nfs/dbraw/zinc/40/23/57/213402357.db2.gz SLEKVSYBHISVOI-UHFFFAOYSA-N 0 0 348.240 4.590 10 0 EJAERN CC(C)(C)c1ccccc1OC(=O)c1ccc(Br)cc1 ZINC000040890206 213397079 /nfs/dbraw/zinc/39/70/79/213397079.db2.gz XLNFBWCCCUKNFP-UHFFFAOYSA-N 0 0 333.225 4.966 10 0 EJAERN Cc1cc2occ(CC(=O)Nc3ncc(Cl)cc3Cl)c2c(C)c1 ZINC000040803010 213388798 /nfs/dbraw/zinc/38/87/98/213388798.db2.gz WUHVQAXKCSXCQG-UHFFFAOYSA-N 0 0 349.217 4.933 10 0 EJAERN Cc1ccc(Sc2ncnc(Nc3cc(F)ccc3F)c2N)cc1 ZINC000040783424 213387001 /nfs/dbraw/zinc/38/70/01/213387001.db2.gz NXHMWYFZCBHHOB-UHFFFAOYSA-N 0 0 344.390 4.540 10 0 EJAERN Cc1ccc(Nc2ncnc(Sc3ccc(Cl)cc3)c2N)cc1 ZINC000040723037 213375697 /nfs/dbraw/zinc/37/56/97/213375697.db2.gz MEJVYHSGYMQZFI-UHFFFAOYSA-N 0 0 342.855 4.915 10 0 EJAERN Cc1ccc(Nc2ncnc(Nc3ccc(C)c(Cl)c3)c2N)cc1 ZINC000040703721 213371526 /nfs/dbraw/zinc/37/15/26/213371526.db2.gz NQXIBXVXXZYCMB-UHFFFAOYSA-N 0 0 339.830 4.816 10 0 EJAERN Cc1cc(Cl)ccc1Nc1ncnc(Nc2ccc(F)cc2)c1N ZINC000040703306 213371307 /nfs/dbraw/zinc/37/13/07/213371307.db2.gz FBQGRZJSCISFKL-UHFFFAOYSA-N 0 0 343.793 4.647 10 0 EJAERN Cc1c(Cl)cccc1Nc1ncnc(Nc2ccccc2F)c1N ZINC000040701549 213371342 /nfs/dbraw/zinc/37/13/42/213371342.db2.gz KSYBPWLLGUWBPV-UHFFFAOYSA-N 0 0 343.793 4.647 10 0 EJAERN Nc1c(Nc2ccccc2)ncnc1Nc1ccc(Cl)c(Cl)c1 ZINC000040704117 213371639 /nfs/dbraw/zinc/37/16/39/213371639.db2.gz WTBAHTGMAYNEHZ-UHFFFAOYSA-N 0 0 346.221 4.853 10 0 EJAERN Cc1cc(C)cc(Oc2ncnc(Oc3cc(C)cc(C)c3)c2N)c1 ZINC000040681201 213368461 /nfs/dbraw/zinc/36/84/61/213368461.db2.gz GRYURWRNFMGDTL-UHFFFAOYSA-N 0 0 335.407 4.877 10 0 EJAERN CCN(c1ccccc1)c1ncnc(Nc2cc(C)cc(C)c2)c1N ZINC000040679377 213368491 /nfs/dbraw/zinc/36/84/91/213368491.db2.gz GDZUPEOXDALGSH-UHFFFAOYSA-N 0 0 333.439 4.577 10 0 EJAERN CCc1nc2ccc(Cl)cc2n1CCc1ccc(OC)c(OC)c1 ZINC000040406889 213299928 /nfs/dbraw/zinc/29/99/28/213299928.db2.gz GESSINNGFIGLTJ-UHFFFAOYSA-N 0 0 344.842 4.512 10 0 EJAERN COCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccccc1C ZINC000040404528 213299418 /nfs/dbraw/zinc/29/94/18/213299418.db2.gz BVXIXBXZTIFSNY-UHFFFAOYSA-N 0 0 334.341 4.677 10 0 EJAERN Cc1c2ccc(C)cc2oc1C(=O)NCc1nc2ccccc2s1 ZINC000040324127 213291846 /nfs/dbraw/zinc/29/18/46/213291846.db2.gz MLPPDVUHPBKDSL-UHFFFAOYSA-N 0 0 336.416 4.589 10 0 EJAERN COc1ccc(Nc2ccnc3c(C)c(Cl)ccc23)cc1OC ZINC000040358934 213292866 /nfs/dbraw/zinc/29/28/66/213292866.db2.gz SXKNXMQDSIYWRG-UHFFFAOYSA-N 0 0 328.799 4.957 10 0 EJAERN Cc1cc2nc(CCO)n(Cc3ccc(C(C)(C)C)cc3)c2cc1C ZINC000040310680 213290980 /nfs/dbraw/zinc/29/09/80/213290980.db2.gz ZQIJOMLRNQGERZ-UHFFFAOYSA-N 0 0 336.479 4.534 10 0 EJAERN Cc1cc2nc(CCO)n(Cc3ccc(Cl)c(Cl)c3)c2cc1C ZINC000040310700 213290740 /nfs/dbraw/zinc/29/07/40/213290740.db2.gz OPYZJWRZAXLHCX-UHFFFAOYSA-N 0 0 349.261 4.543 10 0 EJAERN COc1cccc(-c2nc3ccccc3n2Cc2ccc(F)cc2)c1 ZINC000040250112 213284839 /nfs/dbraw/zinc/28/48/39/213284839.db2.gz ZSCUKILDRHSYJK-UHFFFAOYSA-N 0 0 332.378 4.899 10 0 EJAERN COc1ccc(Cn2c(CCc3ccccc3)nc3ccccc32)cc1 ZINC000040238219 213283527 /nfs/dbraw/zinc/28/35/27/213283527.db2.gz MFKAJZTXQBXSFF-UHFFFAOYSA-N 0 0 342.442 4.878 10 0 EJAERN O=C(Cn1c(C=Cc2ccco2)nc2ccccc21)c1ccccc1 ZINC000040238743 213283272 /nfs/dbraw/zinc/28/32/72/213283272.db2.gz BDKQUPHHPZNSNK-OUKQBFOZSA-N 0 0 328.371 4.683 10 0 EJAERN Cc1cccc(OCCn2c3ccccc3nc2-c2ccco2)c1C ZINC000040239003 213283401 /nfs/dbraw/zinc/28/34/01/213283401.db2.gz QMLLZZZIJSQFRP-UHFFFAOYSA-N 0 0 332.403 4.992 10 0 EJAERN CCCCNC(=O)c1cc(-c2ccc(Br)cc2)oc1C ZINC000040179494 213280659 /nfs/dbraw/zinc/28/06/59/213280659.db2.gz CFTHUGFHJZBZET-UHFFFAOYSA-N 0 0 336.229 4.547 10 0 EJAERN CC(C)(C)c1cc(C(=O)[C@H](N)c2ccccc2)cc(C(C)(C)C)c1O ZINC000039135039 213231748 /nfs/dbraw/zinc/23/17/48/213231748.db2.gz FHHWFRFRZHRWDX-GOSISDBHSA-N 0 0 339.479 4.870 10 0 EJAERN Cc1cc(Br)ccc1NCc1ccc(Br)o1 ZINC000019905581 202025707 /nfs/dbraw/zinc/02/57/07/202025707.db2.gz HKDRSBYVBMXNEZ-UHFFFAOYSA-N 0 0 345.034 4.725 10 0 EJAERN CCOc1c(Cl)cc(C(=O)Nc2ccc(C)cc2O)cc1Cl ZINC000021025774 202060795 /nfs/dbraw/zinc/06/07/95/202060795.db2.gz NECHYMIXRYKJGK-UHFFFAOYSA-N 0 0 340.206 4.658 10 0 EJAERN C[C@@H](Nc1ccccc1-n1cccn1)c1ccc(Br)s1 ZINC000038002764 202081363 /nfs/dbraw/zinc/08/13/63/202081363.db2.gz KSQOOAPIZIYTRA-LLVKDONJSA-N 0 0 348.269 4.869 10 0 EJAERN COc1ccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2)cc1 ZINC000029128914 202181727 /nfs/dbraw/zinc/18/17/27/202181727.db2.gz DXATVZPZQHQQCU-JOCHJYFZSA-N 0 0 328.415 4.801 10 0 EJAERN CC(=O)c1sc(-c2c(C)nc3sccn32)nc1C1CCCC1 ZINC000037868096 213171630 /nfs/dbraw/zinc/17/16/30/213171630.db2.gz YJYHAXZFOBLROW-UHFFFAOYSA-N 0 0 331.466 4.688 10 0 EJAERN C[C@H]1C[C@@H](OCc2c(N)cccc2Br)CC(C)(C)C1 ZINC000037402292 213144285 /nfs/dbraw/zinc/14/42/85/213144285.db2.gz YHAAVCDCCFMBIG-NWDGAFQWSA-N 0 0 326.278 4.763 10 0 EJAERN CCCCC[C@H](C)Nc1cc2c(cc1Br)OCCO2 ZINC000036954645 213127771 /nfs/dbraw/zinc/12/77/71/213127771.db2.gz GNNMHMIYXYEZAY-NSHDSACASA-N 0 0 328.250 4.601 10 0 EJAERN CC1(C)Oc2ccc(NCc3csc(Br)c3)cc2O1 ZINC000036933902 213125456 /nfs/dbraw/zinc/12/54/56/213125456.db2.gz QRWQDUSSRDWRRE-UHFFFAOYSA-N 0 0 340.242 4.630 10 0 EJAERN COc1ccc(Cl)cc1CNc1cc(Br)ccc1F ZINC000036867455 213124900 /nfs/dbraw/zinc/12/49/00/213124900.db2.gz KOIJWBKLXCRMKE-UHFFFAOYSA-N 0 0 344.611 4.862 10 0 EJAERN Fc1ccc(CNc2cc(Br)ccc2F)c(Cl)c1 ZINC000036752142 213115893 /nfs/dbraw/zinc/11/58/93/213115893.db2.gz GRSKEVSWYPTBIU-UHFFFAOYSA-N 0 0 332.575 4.993 10 0 EJAERN Cc1nc([C@H](C)Nc2cc(Br)ccc2F)c(C)s1 ZINC000036750598 213115999 /nfs/dbraw/zinc/11/59/99/213115999.db2.gz CBANCHHSHLDCFY-ZETCQYMHSA-N 0 0 329.238 4.835 10 0 EJAERN CC(C)CC(=O)N(Cc1cc(-c2ccc(F)cc2)on1)CC(C)C ZINC000036004670 213055497 /nfs/dbraw/zinc/05/54/97/213055497.db2.gz SPXWLPMKIOGAJK-UHFFFAOYSA-N 0 0 332.419 4.511 10 0 EJAERN Cc1ccc(Oc2cccc(F)c2[C@@H](C)O)c(Br)c1 ZINC000035632430 213043698 /nfs/dbraw/zinc/04/36/98/213043698.db2.gz MADPMGGZWFTWIO-SNVBAGLBSA-N 0 0 325.177 4.742 10 0 EJAERN Cc1cc(Nc2cccc(Br)c2)c2cc(F)ccc2n1 ZINC000032606572 202228800 /nfs/dbraw/zinc/22/88/00/202228800.db2.gz CQKOXMKUAJUAOH-UHFFFAOYSA-N 0 0 331.188 4.610 10 0 EJAERN Cc1cc(NC(=O)c2cccs2)c2cc(Br)ccc2n1 ZINC000032605756 202229340 /nfs/dbraw/zinc/22/93/40/202229340.db2.gz XEISAXWTQLUORX-UHFFFAOYSA-N 0 0 347.237 4.620 10 0 EJAERN Cc1ccc(Nc2ccc3scnc3c2N)c(Br)c1 ZINC000035344420 213022931 /nfs/dbraw/zinc/02/29/31/213022931.db2.gz WFODNTSLMIKLFW-UHFFFAOYSA-N 0 0 334.242 4.693 10 0 EJAERN Nc1ccc(Sc2ccc(Br)cc2)c2ncccc12 ZINC000035342343 213021732 /nfs/dbraw/zinc/02/17/32/213021732.db2.gz WEUYYTUNJBUVNJ-UHFFFAOYSA-N 0 0 331.238 4.731 10 0 EJAERN Cc1nc(NC(=O)/C=C\c2c(Cl)cccc2Cl)sc1C ZINC000033317170 202256879 /nfs/dbraw/zinc/25/68/79/202256879.db2.gz XSICRZZBBFYYMF-SREVYHEPSA-N 0 0 327.236 4.719 10 0 EJAERN O=C(/C=C\c1c(F)cccc1Cl)NCCc1cccc(Cl)c1 ZINC000033317254 202257466 /nfs/dbraw/zinc/25/74/66/202257466.db2.gz QGBDLHKPRHJXLN-FPLPWBNLSA-N 0 0 338.209 4.505 10 0 EJAERN C[C@@H](SCc1ccccc1)C(=O)c1ccc(Br)cc1 ZINC000034980337 213003734 /nfs/dbraw/zinc/00/37/34/213003734.db2.gz ITBFIVJXPJPZJK-GFCCVEGCSA-N 0 0 335.266 4.954 10 0 EJAERN O=C(/C=C\c1c(F)cccc1Cl)NCCCCc1ccccc1 ZINC000033456335 202262010 /nfs/dbraw/zinc/26/20/10/202262010.db2.gz PTDUBZXGEATTQI-SEYXRHQNSA-N 0 0 331.818 4.631 10 0 EJAERN Cc1cc(=O)n(C(c2ccccc2)c2ccccc2)c2ccccc12 ZINC000032526447 212808443 /nfs/dbraw/zinc/80/84/43/212808443.db2.gz CKFXHOCREQDKOR-UHFFFAOYSA-N 0 0 325.411 4.948 10 0 EJAERN c1cc2c(cccc2-c2cc(NCc3cccnc3)nc3[nH]ccc32)[nH]1 ZINC000072164644 216052946 /nfs/dbraw/zinc/05/29/46/216052946.db2.gz YJFHAFZKIWRCHC-UHFFFAOYSA-N 0 0 339.402 4.718 10 0 EJAERN Cc1ccc(-c2csc(NC(=O)/C=C\c3ccc(F)cc3)n2)cc1 ZINC000033743608 202268978 /nfs/dbraw/zinc/26/89/78/202268978.db2.gz XMSDQUGZQNEGFN-WDZFZDKYSA-N 0 0 338.407 4.910 10 0 EJAERN Cc1ccccc1-c1nc(Br)sc1Br ZINC000072192951 216068166 /nfs/dbraw/zinc/06/81/66/216068166.db2.gz FPLVULSKAOPMGD-UHFFFAOYSA-N 0 0 333.048 4.644 10 0 EJAERN COC(=O)c1ccc(Nc2ccnc3cc(Cl)c(C)cc32)cc1 ZINC000072237416 216076678 /nfs/dbraw/zinc/07/66/78/216076678.db2.gz UVURFKHTWJHKDH-UHFFFAOYSA-N 0 0 326.783 4.727 10 0 EJAERN Nc1n[nH]c(CCC2CCCCC2)c1-c1ccc(Br)cc1 ZINC000037348615 202339407 /nfs/dbraw/zinc/33/94/07/202339407.db2.gz HLLRPCJRIADKQH-UHFFFAOYSA-N 0 0 348.288 4.934 10 0 EJAERN CN(C)c1ccc(NCc2csc(Br)c2)cc1Cl ZINC000037781314 202363441 /nfs/dbraw/zinc/36/34/41/202363441.db2.gz ZHCRNKRMJOREOA-UHFFFAOYSA-N 0 0 345.693 4.842 10 0 EJAERN FC(F)(F)c1ccc(-c2nc(-c3ccncc3)cc(=S)[nH]2)cc1 ZINC000073695454 202371799 /nfs/dbraw/zinc/37/17/99/202371799.db2.gz NEEVEZWFVXNGFH-UHFFFAOYSA-N 0 0 333.338 4.513 10 0 EJAERN C[C@@H](Nc1c(Cl)cc(Br)cc1Cl)c1cc[nH]n1 ZINC000037907040 202374547 /nfs/dbraw/zinc/37/45/47/202374547.db2.gz HJAIGSWSFQCNTE-ZCFIWIBFSA-N 0 0 335.032 4.652 10 0 EJAERN O=C(Nc1nc2ncc(-c3ccccc3)cc2s1)c1ccccc1 ZINC000038243672 202399618 /nfs/dbraw/zinc/39/96/18/202399618.db2.gz BRQYIBDWWANAFU-UHFFFAOYSA-N 0 0 331.400 4.611 10 0 EJAERN COC(=O)c1sc(Oc2cccc(Cl)c2Cl)nc1Cl ZINC000038082361 202391317 /nfs/dbraw/zinc/39/13/17/202391317.db2.gz LBPRSXCCGYXJAA-UHFFFAOYSA-N 0 0 338.599 4.682 10 0 EJAERN CCOCCn1c(COc2ccc(C(C)C)cc2)nc2ccccc21 ZINC000040235833 202430056 /nfs/dbraw/zinc/43/00/56/202430056.db2.gz WRLZOYMFOQWUBJ-UHFFFAOYSA-N 0 0 338.451 4.775 10 0 EJAERN COCCCn1c(Cc2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000040402812 202437931 /nfs/dbraw/zinc/43/79/31/202437931.db2.gz HXDPZMBNHMZFMC-UHFFFAOYSA-N 0 0 349.261 4.970 10 0 EJAERN Cc1cc(Oc2ncnc(OC3CCCCC3)c2N)ccc1Cl ZINC000040798191 202464109 /nfs/dbraw/zinc/46/41/09/202464109.db2.gz YYTXDZRSFCFRMS-UHFFFAOYSA-N 0 0 333.819 4.524 10 0 EJAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1Nc1ccc(Cl)cc1 ZINC000040782129 202464518 /nfs/dbraw/zinc/46/45/18/202464518.db2.gz CTPIYWKXKGPKKM-UHFFFAOYSA-N 0 0 346.221 4.853 10 0 EJAERN Nc1c(Nc2ccc(F)cc2)ncnc1Oc1cccc2ccccc21 ZINC000040683235 202458608 /nfs/dbraw/zinc/45/86/08/202458608.db2.gz HPBYCXZYSIBOOD-UHFFFAOYSA-N 0 0 346.365 4.887 10 0 EJAERN C[C@@](O)(Cc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000037530819 213154262 /nfs/dbraw/zinc/15/42/62/213154262.db2.gz QIEIWEFDROCLJX-OAHLLOKOSA-N 0 0 325.633 4.553 10 0 EJAERN Cc1ccc(Br)cc1NC[C@@H](O)c1ccccc1Cl ZINC000037893634 213172618 /nfs/dbraw/zinc/17/26/18/213172618.db2.gz YMSNPIRKKTZBQM-OAHLLOKOSA-N 0 0 340.648 4.556 10 0 EJAERN O=C1c2ccccc2C(=O)N1c1ccc(/C=C/c2ccccc2)cc1 ZINC000000045144 209388072 /nfs/dbraw/zinc/38/80/72/209388072.db2.gz NTDZLFGRAUKENS-ZHACJKMWSA-N 0 0 325.367 4.658 10 0 EJAERN Clc1ccc(/C=C/c2ccnc(N3CCc4ccccc4C3)n2)cc1 ZINC000072443614 216236183 /nfs/dbraw/zinc/23/61/83/216236183.db2.gz XPRZMSMEUGLGBZ-JXMROGBWSA-N 0 0 347.849 4.863 10 0 EJAERN Cc1cc2nccc(-c3ccc(OCc4ccc(Cl)cc4)cc3)n2n1 ZINC000072451590 216239352 /nfs/dbraw/zinc/23/93/52/216239352.db2.gz NIQPCKUBIFMYRV-UHFFFAOYSA-N 0 0 349.821 4.937 10 0 EJAERN Cc1nn2cc3c(nc2c1-c1cccc(Cl)c1)CC(C)(C)CC3=O ZINC000072464082 216246583 /nfs/dbraw/zinc/24/65/83/216246583.db2.gz JIBQRHDOLVRCRA-UHFFFAOYSA-N 0 0 339.826 4.513 10 0 EJAERN O[C@@](c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl ZINC000027431495 212557322 /nfs/dbraw/zinc/55/73/22/212557322.db2.gz AKDCDVNDPAZRSM-SFHVURJKSA-N 0 0 330.214 4.673 10 0 EJAERN FC(F)(F)c1ccc(CNc2nc(Cl)c3c(n2)CCCC3)cc1 ZINC000057343521 201138953 /nfs/dbraw/zinc/13/89/53/201138953.db2.gz LTBPKHCFLCIAJA-UHFFFAOYSA-N 0 0 341.764 4.640 10 0 EJAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Cl)sc1Cl ZINC000073434384 216386493 /nfs/dbraw/zinc/38/64/93/216386493.db2.gz ZGROTFCZSSDWKW-RQJHMYQMSA-N 0 0 346.201 4.906 10 0 EJAERN COc1cc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc2occc21 ZINC000090516150 201372273 /nfs/dbraw/zinc/37/22/73/201372273.db2.gz DXYHWNRPKQKFAS-AATRIKPKSA-N 0 0 340.375 4.638 10 0 EJAERN O[C@@H](Cc1cc(Br)ccc1F)c1ccc(Cl)cc1 ZINC000053781992 202662491 /nfs/dbraw/zinc/66/24/91/202662491.db2.gz KPPGBDYXOJCVPC-AWEZNQCLSA-N 0 0 329.596 4.518 10 0 EJAERN O=C(Nc1ccc(F)cc1)c1cccc(Oc2cccc(Cl)c2)n1 ZINC000211681114 241083570 /nfs/dbraw/zinc/08/35/70/241083570.db2.gz LRCGAOKNZSIAQK-UHFFFAOYSA-N 0 0 342.757 4.919 10 0 EJAERN Cc1nn(C(=O)OC(C)(C)C)c2cc(OCc3ccccc3)ccc12 ZINC000211848512 241085954 /nfs/dbraw/zinc/08/59/54/241085954.db2.gz OHUGEITWYFXHTH-UHFFFAOYSA-N 0 0 338.407 4.707 10 0 EJAERN COC(=O)c1cc2c(cncc2Nc2ccc(-c3ccccc3)cc2)[nH]1 ZINC000202089227 241040185 /nfs/dbraw/zinc/04/01/85/241040185.db2.gz PHTBDVMQXFPOJT-UHFFFAOYSA-N 0 0 343.386 4.760 10 0 EJAERN O=C(Nc1ccc(Cl)cc1)n1nccc1/C=C/c1cccs1 ZINC000004323409 201597256 /nfs/dbraw/zinc/59/72/56/201597256.db2.gz CINRSDHICCPQFZ-BQYQJAHWSA-N 0 0 329.812 4.849 10 0 EJAERN CC(C)c1ccc(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000005476501 201652315 /nfs/dbraw/zinc/65/23/15/201652315.db2.gz QGYQOPBBLLNRIZ-LLVKDONJSA-N 0 0 337.341 4.633 10 0 EJAERN C[C@@H]1[C@@H](C)CCC[C@@H]1Nc1ncnc2onc(-c3ccc(F)cc3)c21 ZINC000020574412 212149002 /nfs/dbraw/zinc/14/90/02/212149002.db2.gz RVOLYJSXEBGXKQ-ZOWXZIJZSA-N 0 0 340.402 4.661 10 0 EJAERN C[C@@H](Oc1cccc(Br)c1)C(=O)c1ccc(Cl)cc1 ZINC000070132762 203073557 /nfs/dbraw/zinc/07/35/57/203073557.db2.gz JEDFVGYKTXZOQP-SNVBAGLBSA-N 0 0 339.616 4.753 10 0 EJAERN C[C@H](Oc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1 ZINC000070132685 203074079 /nfs/dbraw/zinc/07/40/79/203074079.db2.gz MBQLPBJCXCVELP-JTQLQIEISA-N 0 0 339.616 4.753 10 0 EJAERN Cc1cc([C@H](C)Nc2ccc(I)cc2)c(C)o1 ZINC000020477019 212135593 /nfs/dbraw/zinc/13/55/93/212135593.db2.gz NNZAASFEVGUQBG-JTQLQIEISA-N 0 0 341.192 4.674 10 0 EJAERN Cc1cc([C@@H](C)Nc2ccc(I)cc2)c(C)o1 ZINC000020477017 212136126 /nfs/dbraw/zinc/13/61/26/212136126.db2.gz NNZAASFEVGUQBG-SNVBAGLBSA-N 0 0 341.192 4.674 10 0 EJAERN Cc1cccc(C)c1Nc1c2[nH]cccc-2c(=O)n1Cc1cccs1 ZINC000020319515 212118448 /nfs/dbraw/zinc/11/84/48/212118448.db2.gz JVXBJGWSJBRLQB-IBGZPJMESA-N 0 0 349.459 4.527 10 0 EJAERN Cc1ccc(Oc2ccc(Br)cn2)c(Br)c1 ZINC000020077686 212099431 /nfs/dbraw/zinc/09/94/31/212099431.db2.gz ZNJOVFKZYIWYRN-UHFFFAOYSA-N 0 0 343.018 4.707 10 0 EJAERN CC[C@H](Nc1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000019966317 212090857 /nfs/dbraw/zinc/09/08/57/212090857.db2.gz ABPIJHNHEFPWHO-AWEZNQCLSA-N 0 0 334.213 4.741 10 0 EJAERN Cc1cc(N[C@H](C)c2ccc3c(c2)OCO3)ccc1Br ZINC000019908125 212082483 /nfs/dbraw/zinc/08/24/83/212082483.db2.gz GAWNQAVLFHPVAW-LLVKDONJSA-N 0 0 334.213 4.659 10 0 EJAERN COc1ccc([C@@H](C)Nc2ccc(Br)cc2)c(OC)c1 ZINC000019923254 212084783 /nfs/dbraw/zinc/08/47/83/212084783.db2.gz CELDDPCMGACLJX-LLVKDONJSA-N 0 0 336.229 4.639 10 0 EJAERN Cc1ccc(N[C@H](C)c2nc3ccccc3n2C)c(Br)c1 ZINC000019901664 212080938 /nfs/dbraw/zinc/08/09/38/212080938.db2.gz UXBHMCJOAZTGSD-GFCCVEGCSA-N 0 0 344.256 4.817 10 0 EJAERN Cc1ccc([C@@H](C)NC(=O)Nc2cc(Br)ccc2C)o1 ZINC000043720852 213594558 /nfs/dbraw/zinc/59/45/58/213594558.db2.gz RGKJJBMDKVEPFL-LLVKDONJSA-N 0 0 337.217 4.542 10 0 EJAERN CCCCCCOc1ccc(C(=O)Oc2ccc(C=O)cc2)cc1 ZINC000014778994 211762448 /nfs/dbraw/zinc/76/24/48/211762448.db2.gz GVRJUQNXOBRHEU-UHFFFAOYSA-N 0 0 326.392 4.677 10 0 EJAERN Brc1cccc(Nc2ncnc3[nH]c4ccccc4c32)c1 ZINC000013803517 211640091 /nfs/dbraw/zinc/64/00/91/211640091.db2.gz MHRKNNUUCCNFPI-UHFFFAOYSA-N 0 0 339.196 4.617 10 0 EJAERN COC(=O)c1cc2sc(C)c(C)c2n1Cc1ccc(Cl)cc1 ZINC000085347981 217660282 /nfs/dbraw/zinc/66/02/82/217660282.db2.gz VQUQCRDVEKJHII-UHFFFAOYSA-N 0 0 333.840 4.808 10 0 EJAERN Cc1ccc(Br)cc1NCc1cc(F)c(F)c(F)c1 ZINC000104037109 206483080 /nfs/dbraw/zinc/48/30/80/206483080.db2.gz HCQPAAMMFUWMKP-UHFFFAOYSA-N 0 0 330.147 4.787 10 0 EJAERN O=C(c1ccc2nc(C3CC3)oc2c1)N1CC=C(c2ccccc2)CC1 ZINC000012613215 211423638 /nfs/dbraw/zinc/42/36/38/211423638.db2.gz FSCKXQSRMXUTDX-UHFFFAOYSA-N 0 0 344.414 4.635 10 0 EJAERN Cc1c2cc(C)ccc2oc1C(=O)NCc1cc2cc(F)ccc2[nH]1 ZINC000012597432 211420687 /nfs/dbraw/zinc/42/06/87/211420687.db2.gz WTAJCQWSRNMBKE-UHFFFAOYSA-N 0 0 336.366 4.600 10 0 EJAERN c1ccc2c(c1)S[C@@H](c1ccc3c(c1)OCO3)CCN2CC1CC1 ZINC000012242683 211330038 /nfs/dbraw/zinc/33/00/38/211330038.db2.gz SFZYASTVBSPHRG-LJQANCHMSA-N 0 0 339.460 4.869 10 0 EJAERN CC(=O)N1CCC(Nc2ccccc2Nc2ccc(Cl)cc2)CC1 ZINC000090487732 217933427 /nfs/dbraw/zinc/93/34/27/217933427.db2.gz JOKJAROLWWOWBI-UHFFFAOYSA-N 0 0 343.858 4.506 10 0 EJAERN CCN(Cc1nc(-c2cccc(Cl)c2)oc1C)Cc1ccncc1 ZINC000011938260 211272900 /nfs/dbraw/zinc/27/29/00/211272900.db2.gz PHIVWDFGCUYOHM-UHFFFAOYSA-N 0 0 341.842 4.721 10 0 EJAERN Cc1ccc(NC(=O)/C=C/c2ccccc2Br)c(C)c1 ZINC000007610172 210820778 /nfs/dbraw/zinc/82/07/78/210820778.db2.gz OCGNFMLCEXFXMZ-CSKARUKUSA-N 0 0 330.225 4.718 10 0 EJAERN CC(C)Cn1ncc2cc([C@@H](O)c3ccc(Cl)cc3F)ccc21 ZINC000118909744 221202202 /nfs/dbraw/zinc/20/22/02/221202202.db2.gz WSUOYFODRKMQQK-GOSISDBHSA-N 0 0 332.806 4.567 10 0 EJAERN O[C@@H](Cc1ccccc1)c1ccc2ccccc2c1Br ZINC000504767252 257704083 /nfs/dbraw/zinc/70/40/83/257704083.db2.gz QRLHEIATAKMVLN-KRWDZBQOSA-N 0 0 327.221 4.878 10 0 EJAERN Cc1cc(C)cc(Nc2ncnc(N3CCCc4ccccc43)c2N)c1 ZINC000040681977 132405231 /nfs/dbraw/zinc/40/52/31/132405231.db2.gz NFHWCXFAFUTYFS-UHFFFAOYSA-N 0 0 345.450 4.504 10 0 EJAERN Cc1ccc2oc(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)cc2c1 ZINC000129157250 534533955 /nfs/dbraw/zinc/53/39/55/534533955.db2.gz FLKTUBGBNVBENH-QWHCGFSZSA-N 0 0 325.330 4.592 10 0 EJAERN C[C@H](c1cccs1)N(C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000045439190 526151282 /nfs/dbraw/zinc/15/12/82/526151282.db2.gz QYMLNXNYDVKZLE-GRYCIOLGSA-N 0 0 334.407 4.572 10 0 EJAERN COc1cc(OCc2ccccc2)cc(C=O)c1OCc1ccccc1 ZINC000211745313 536876781 /nfs/dbraw/zinc/87/67/81/536876781.db2.gz HHDGRZXLRDPGFN-UHFFFAOYSA-N 0 0 348.398 4.666 10 0 EJAERN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCCO[C@@]4(C)CC[C@@H]32)C1 ZINC000004721043 560199771 /nfs/dbraw/zinc/19/97/71/560199771.db2.gz WIXLMLSHJRVECU-YQUGOWONSA-N 0 0 334.500 4.730 10 0 in-vitro EJAERN COc1ccc([C@H](c2ccc(O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000006018426 560204407 /nfs/dbraw/zinc/20/44/07/560204407.db2.gz BUZUQNXGKRJIJT-AWEZNQCLSA-N 0 0 331.626 4.903 10 0 in-vitro EJAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)c1c(Cl)cccc1Cl)C2 ZINC000000086354 563220415 /nfs/dbraw/zinc/22/04/15/563220415.db2.gz BRTBKJYYKUTGHA-PGQWDYDZSA-N 0 0 326.267 4.938 10 0 EJAERN O=C(/C=C/c1ccc(-c2ccccc2)s1)Nc1ccc2c(c1)OCO2 ZINC000005403301 563531473 /nfs/dbraw/zinc/53/14/73/563531473.db2.gz TZMMVQBOWIXNHX-DHZHZOJOSA-N 0 0 349.411 4.796 10 0 EJAERN Cc1ccccc1-n1nc(C(C)C)c(C(=O)NC(C)C)c1C(C)C ZINC000006771076 563586050 /nfs/dbraw/zinc/58/60/50/563586050.db2.gz PAOUMLLXWQHMTF-UHFFFAOYSA-N 0 0 327.472 4.566 10 0 EJAERN O=C(NCc1cccnc1-c1ccc(F)cc1)c1ccc(Cl)s1 ZINC000065171299 563758417 /nfs/dbraw/zinc/75/84/17/563758417.db2.gz SMKXWXJXZLPXRT-UHFFFAOYSA-N 0 0 346.814 4.533 10 0 EJAERN CC(C)(C)c1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc2n[nH]cc21 ZINC000028964600 563904661 /nfs/dbraw/zinc/90/46/61/563904661.db2.gz TYOYXJNGINZFET-GOSISDBHSA-N 0 0 348.450 4.669 10 0 investigational EJAERN COc1cc(OC/C=C(\C)CCC=C(C)C)cc2oc(=O)ccc12 ZINC000087493098 563974351 /nfs/dbraw/zinc/97/43/51/563974351.db2.gz ORBVONLAJRGOAY-XNTDXEJSSA-N 0 0 328.408 4.873 10 0 biogenic EJAERN Cc1cc2c(ncnc2Nc2ccc(Br)cc2C)s1 ZINC000000224074 563988952 /nfs/dbraw/zinc/98/89/52/563988952.db2.gz NHCIRWFGSVPKQL-UHFFFAOYSA-N 0 0 334.242 4.814 10 0 EJAERN COc1cc(/C=C/CO)cc(OC)c1OC/C=C(\C)CCC=C(C)C ZINC000005158589 563995555 /nfs/dbraw/zinc/99/55/55/563995555.db2.gz MWNIFFJAKKQUJF-NRHDHWSESA-N 0 0 346.467 4.781 10 0 biogenic,in-vitro EJAERN COc1cc(CCC(=O)Nc2cc(C)ccc2C)cc(Cl)c1OC ZINC000048544628 564031814 /nfs/dbraw/zinc/03/18/14/564031814.db2.gz VUBUNBPKXLUCAA-UHFFFAOYSA-N 0 0 347.842 4.545 10 0 EJAERN Cc1cc(-c2ccc(Br)cc2)ncc1Br ZINC000536955453 564091769 /nfs/dbraw/zinc/09/17/69/564091769.db2.gz YSQMQBVKCZNJAE-UHFFFAOYSA-N 0 0 327.019 4.582 10 0 EJAERN COC(=O)c1c2c(ccc1C(C)C)-c1ccc3ccccc3c1C2=O ZINC000000045155 564082413 /nfs/dbraw/zinc/08/24/13/564082413.db2.gz YLEXGMMUNZJVKK-UHFFFAOYSA-N 0 0 330.383 4.961 10 0 EJAERN CCc1cc(C)nc2cc(Br)c(Br)cc12 ZINC000669372590 564084054 /nfs/dbraw/zinc/08/40/54/564084054.db2.gz TZXDIYRDCZVVGE-UHFFFAOYSA-N 0 0 329.035 4.631 10 0 EJAERN C[C@H](CCc1ccccc1)NC(=O)c1cc2sc(Cl)cc2n1C ZINC000006804705 564098346 /nfs/dbraw/zinc/09/83/46/564098346.db2.gz DZJGSPVRVJQASN-GFCCVEGCSA-N 0 0 346.883 4.644 10 0 EJAERN CC(C)(C)OC(=O)N1CC=C(c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000201886907 564129604 /nfs/dbraw/zinc/12/96/04/564129604.db2.gz HPIPMDOSUZJDNZ-UHFFFAOYSA-N 0 0 345.336 4.869 10 0 EJAERN CC[C@H](C)CC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960676 564177164 /nfs/dbraw/zinc/17/71/64/564177164.db2.gz YJZLLPXVPCIFMF-INIZCTEOSA-N 0 0 333.472 4.819 10 0 EJAERN CCNc1snnc1COc1c(Cl)cc(Cl)cc1Cl ZINC000050832103 214072550 /nfs/dbraw/zinc/07/25/50/214072550.db2.gz VABKMTBWFJPPEI-UHFFFAOYSA-N 0 0 338.647 4.509 10 0 EJAERN O=C(Cc1cc(Br)cs1)Cc1ccc(Cl)cc1 ZINC000053764456 214197493 /nfs/dbraw/zinc/19/74/93/214197493.db2.gz BIXLCKVZVVQTKX-UHFFFAOYSA-N 0 0 329.646 4.518 10 0 EJAERN COc1ccc(-c2nc3nc(-c4ccccc4)oc3c(Cl)n2)cc1 ZINC000053993890 214209069 /nfs/dbraw/zinc/20/90/69/214209069.db2.gz KXQNLWKVLHWLBI-UHFFFAOYSA-N 0 0 337.766 4.614 10 0 EJAERN FC(F)(F)c1cc(Br)ccc1-c1nccc(Cl)n1 ZINC000054270008 214227888 /nfs/dbraw/zinc/22/78/88/214227888.db2.gz GWOURGBYWRPQMV-UHFFFAOYSA-N 0 0 337.526 4.578 10 0 EJAERN CCCCCNC(=O)CCc1ccc(OCCCC)c(OCC)c1 ZINC000054624647 214246556 /nfs/dbraw/zinc/24/65/56/214246556.db2.gz WTYWSPKQUPQTNM-UHFFFAOYSA-N 0 0 335.488 4.503 10 0 EJAERN O[C@H](Cc1ccc(Br)s1)c1ccc2ccccc2c1 ZINC000054440089 214238437 /nfs/dbraw/zinc/23/84/37/214238437.db2.gz XPDJHPJYBZAXIM-OAHLLOKOSA-N 0 0 333.250 4.940 10 0 EJAERN O[C@@H](Cc1ccc(Br)s1)c1cccc2ccccc21 ZINC000054438686 214239099 /nfs/dbraw/zinc/23/90/99/214239099.db2.gz NGJNQEFTXWPAQM-HNNXBMFYSA-N 0 0 333.250 4.940 10 0 EJAERN Cc1ccc(C(=O)CNc2nc3c(ccc(Cl)c3C)s2)cc1 ZINC000054643929 214247431 /nfs/dbraw/zinc/24/74/31/214247431.db2.gz GBQZSBOJAYSGSS-UHFFFAOYSA-N 0 0 330.840 4.861 10 0 EJAERN Nc1c2ncsc2ccc1Sc1cccc(Br)c1 ZINC000055306706 214303683 /nfs/dbraw/zinc/30/36/83/214303683.db2.gz ZYAJLJXPVRGFNT-UHFFFAOYSA-N 0 0 337.267 4.792 10 0 EJAERN CCCC(=O)c1ccc(NCc2cnn(-c3ccccc3)c2C)cc1 ZINC000098180223 219086647 /nfs/dbraw/zinc/08/66/47/219086647.db2.gz LFEQLVVGMVKYRR-UHFFFAOYSA-N 0 0 333.435 4.776 10 0 EJAERN O=C1C(=Cc2cccc(Cl)c2Cl)NC(=S)N1c1ccccc1 ZINC000100469724 219099795 /nfs/dbraw/zinc/09/97/95/219099795.db2.gz CYWJPGHLXFJPMQ-LCYFTJDESA-N 0 0 349.242 4.667 10 0 EJAERN O=C(Nc1nc2c(s1)c(Cl)ccc2Cl)c1cccs1 ZINC000004264280 210155572 /nfs/dbraw/zinc/15/55/72/210155572.db2.gz RCOGIFVMZHEXBB-UHFFFAOYSA-N 0 0 329.233 4.917 10 0 EJAERN CCC(C)(C)c1ccc(Oc2cc(C=O)cc(OC)c2OC)cc1 ZINC000004227103 210147050 /nfs/dbraw/zinc/14/70/50/210147050.db2.gz UAZMSYDEHMIZGL-UHFFFAOYSA-N 0 0 328.408 4.996 10 0 EJAERN COc1cc(C=O)cc(Oc2c(C)cccc2C(C)(C)C)c1OC ZINC000004227104 210147347 /nfs/dbraw/zinc/14/73/47/210147347.db2.gz LLVPAYPPIIQCCT-UHFFFAOYSA-N 0 0 328.408 4.915 10 0 EJAERN Cc1ccsc1CNc1ccccc1C(=O)N1CC=C[C@H]1C(C)C ZINC000065492762 214931846 /nfs/dbraw/zinc/93/18/46/214931846.db2.gz LKYPOPLRABZPRO-SFHVURJKSA-N 0 0 340.492 4.705 10 0 EJAERN O=C1c2ccccc2CCC[C@H]1Cc1sccc1Br ZINC000103931699 219330545 /nfs/dbraw/zinc/33/05/45/219330545.db2.gz IQTNPPSZBZELQJ-LBPRGKRZSA-N 0 0 335.266 4.889 10 0 EJAERN C[C@@](O)(Cc1ccc(F)c(Br)c1)c1ccc(Cl)cc1 ZINC000103939289 219331501 /nfs/dbraw/zinc/33/15/01/219331501.db2.gz HVKSWCZLJGQTEF-OAHLLOKOSA-N 0 0 343.623 4.692 10 0 EJAERN O=C(Cc1cc(F)ccc1Br)c1cccc(Cl)c1 ZINC000103936303 219330383 /nfs/dbraw/zinc/33/03/83/219330383.db2.gz OSWIDNHCTOUZDO-UHFFFAOYSA-N 0 0 327.580 4.667 10 0 EJAERN Cc1ccc(Nc2ncccc2Br)cc1C(F)(F)F ZINC000103984084 219335948 /nfs/dbraw/zinc/33/59/48/219335948.db2.gz WKRSNOPSOLOKBM-UHFFFAOYSA-N 0 0 331.135 4.915 10 0 EJAERN CC[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(Br)c(F)c1 ZINC000104007575 219338039 /nfs/dbraw/zinc/33/80/39/219338039.db2.gz PNMOGQKKEBBIGX-OAHLLOKOSA-N 0 0 342.639 4.941 10 0 EJAERN CCCCOCCNc1ccc(Br)cc1C(F)(F)F ZINC000104019509 219338918 /nfs/dbraw/zinc/33/89/18/219338918.db2.gz CXDPHTCJOFWLDI-UHFFFAOYSA-N 0 0 340.183 4.697 10 0 EJAERN CC[C@@H]1CCCC[C@H]1OCCNc1ccccc1Br ZINC000104014748 219339193 /nfs/dbraw/zinc/33/91/93/219339193.db2.gz OLDQSNUREBLGQF-CZUORRHYSA-N 0 0 326.278 4.846 10 0 EJAERN Clc1cc(Br)ccc1NCCCOc1ccccc1 ZINC000104019466 219339294 /nfs/dbraw/zinc/33/92/94/219339294.db2.gz OLAOIRCVLKYFEL-UHFFFAOYSA-N 0 0 340.648 4.984 10 0 EJAERN CC[C@H](C)COc1ccc(Br)cc1C[NH2+]C(C)(C)C ZINC000103971248 219334254 /nfs/dbraw/zinc/33/42/54/219334254.db2.gz VRADJRHXAXVGKA-LBPRGKRZSA-N 0 0 328.294 4.762 10 0 EJAERN CCCC[C@@H](C)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000103971664 219334416 /nfs/dbraw/zinc/33/44/16/219334416.db2.gz AOMUSHWGBYBUIR-SNVBAGLBSA-N 0 0 336.220 4.719 10 0 EJAERN CCN(Cc1ccc(F)cc1Br)c1cccc(F)c1 ZINC000103979123 219335557 /nfs/dbraw/zinc/33/55/57/219335557.db2.gz YCMBALGVVMKMAR-UHFFFAOYSA-N 0 0 326.184 4.754 10 0 EJAERN Cc1ccc(NC2=NC3(CS2)CCCCC3)cc1Br ZINC000104052125 219342821 /nfs/dbraw/zinc/34/28/21/219342821.db2.gz MLLLOVKQVNBNFE-UHFFFAOYSA-N 0 0 339.302 4.975 10 0 EJAERN O=Cc1ccc(Br)cc1Oc1ccc(F)cc1Cl ZINC000104182793 219357118 /nfs/dbraw/zinc/35/71/18/219357118.db2.gz NXJWSLZBUXUFTL-UHFFFAOYSA-N 0 0 329.552 4.846 10 0 EJAERN CCc1c(Cl)ncnc1N[C@H](C)c1ccc(Br)cc1 ZINC000104214054 219361509 /nfs/dbraw/zinc/36/15/09/219361509.db2.gz GSITWAZWFMLEOP-SECBINFHSA-N 0 0 340.652 4.628 10 0 EJAERN CCCc1c(Cl)ncnc1Oc1cccc(Br)c1 ZINC000104226162 219363533 /nfs/dbraw/zinc/36/35/33/219363533.db2.gz PAPPWUHYKSAMAU-UHFFFAOYSA-N 0 0 327.609 4.637 10 0 EJAERN CCOc1cc(Oc2ccc(Br)cc2Cl)ccc1N ZINC000104240116 219363966 /nfs/dbraw/zinc/36/39/66/219363966.db2.gz ZJXFUBDIKRBPMB-UHFFFAOYSA-N 0 0 342.620 4.876 10 0 EJAERN CCCOc1ccc2nc(NC(=O)c3ccccc3C)sc2c1 ZINC000040978538 213406305 /nfs/dbraw/zinc/40/63/05/213406305.db2.gz OIHMRHLOPACRDG-UHFFFAOYSA-N 0 0 326.421 4.646 10 0 EJAERN CC(C)(C)c1ccc([C@H](O)c2sccc2Br)cc1 ZINC000104288165 219370093 /nfs/dbraw/zinc/37/00/93/219370093.db2.gz KOILIKWMHZIQOI-ZDUSSCGKSA-N 0 0 325.271 4.890 10 0 EJAERN OCc1ccc(Br)cc1Sc1cccc(Cl)c1 ZINC000104292171 219371153 /nfs/dbraw/zinc/37/11/53/219371153.db2.gz KUCLINQSUIHKQH-UHFFFAOYSA-N 0 0 329.646 4.746 10 0 EJAERN C[NH2+]Cc1ccc(Br)cc1Sc1ccc(F)c(F)c1 ZINC000104300647 219371389 /nfs/dbraw/zinc/37/13/89/219371389.db2.gz WAMGMTKHJRULCA-UHFFFAOYSA-N 0 0 344.224 4.598 10 0 EJAERN Nc1cccc(Cl)c1COc1ccc(Br)cc1Cl ZINC000104318854 219374276 /nfs/dbraw/zinc/37/42/76/219374276.db2.gz KMPWBAVLNKSXPL-UHFFFAOYSA-N 0 0 347.039 4.917 10 0 EJAERN O=C(NC(=S)NC1CCCCCCCCCCC1)c1ccco1 ZINC000040898314 213398640 /nfs/dbraw/zinc/39/86/40/213398640.db2.gz UPTFPXVLPIXRRO-UHFFFAOYSA-N 0 0 336.501 4.557 10 0 EJAERN Brc1ccc2c(c1)[C@H](Nc1nc3ccccc3[nH]1)CCC2 ZINC000040834776 213391466 /nfs/dbraw/zinc/39/14/66/213391466.db2.gz YZTVKYVCOFHLKO-CQSZACIVSA-N 0 0 342.240 4.815 10 0 EJAERN Nc1c(Nc2cc(Cl)ccc2Cl)ncnc1Oc1ccccc1 ZINC000040778298 213385700 /nfs/dbraw/zinc/38/57/00/213385700.db2.gz WRWRFICOYSLTDZ-UHFFFAOYSA-N 0 0 347.205 4.902 10 0 EJAERN Cc1ccc(Sc2ncnc(Nc3ccc(Cl)cc3)c2N)cc1 ZINC000040782141 213387130 /nfs/dbraw/zinc/38/71/30/213387130.db2.gz IWMFEEYJZMXPBP-UHFFFAOYSA-N 0 0 342.855 4.915 10 0 EJAERN Cc1ccc(Oc2ncnc(Nc3ccc(Cl)cc3)c2N)cc1 ZINC000040782176 213387173 /nfs/dbraw/zinc/38/71/73/213387173.db2.gz MJXLCBCKHGAYTE-UHFFFAOYSA-N 0 0 326.787 4.557 10 0 EJAERN Cc1ccc(Oc2ncnc(Oc3cccc4cccnc43)c2N)cc1 ZINC000040752190 213382287 /nfs/dbraw/zinc/38/22/87/213382287.db2.gz GVNCIHDADOVZGT-UHFFFAOYSA-N 0 0 344.374 4.500 10 0 EJAERN CC[C@H]1CCCC[C@H]1Oc1ccc(Br)cc1[C@H](C)O ZINC000104387069 219383549 /nfs/dbraw/zinc/38/35/49/219383549.db2.gz RQZZTAIJYGAAKY-SLEUVZQESA-N 0 0 327.262 4.850 10 0 EJAERN Cc1ccc(Nc2ncnc(Nc3ccc(F)cc3)c2N)cc1Cl ZINC000040703729 213371467 /nfs/dbraw/zinc/37/14/67/213371467.db2.gz AKNZIHKFWCOLJC-UHFFFAOYSA-N 0 0 343.793 4.647 10 0 EJAERN Cc1c(Cl)cccc1Nc1ncnc(Nc2ccccc2)c1N ZINC000040701570 213372044 /nfs/dbraw/zinc/37/20/44/213372044.db2.gz MJUHWQDFUGEDJA-UHFFFAOYSA-N 0 0 325.803 4.508 10 0 EJAERN O=C(c1c[nH]c2ccc(Cl)cc12)c1ccccc1Br ZINC000104416313 219384561 /nfs/dbraw/zinc/38/45/61/219384561.db2.gz LXDQSIBZMLNQGA-UHFFFAOYSA-N 0 0 334.600 4.815 10 0 EJAERN Cc1ccc(C)c(Nc2ncnc(Oc3ccc(C)c(C)c3)c2N)c1 ZINC000040704737 213371363 /nfs/dbraw/zinc/37/13/63/213371363.db2.gz SFBNUHDIBLLMSF-UHFFFAOYSA-N 0 0 334.423 4.828 10 0 EJAERN Nc1c(NC2CCCCC2)ncnc1Oc1cccc2ccccc21 ZINC000040682994 213368570 /nfs/dbraw/zinc/36/85/70/213368570.db2.gz ZJTQUGWCWLBHFD-UHFFFAOYSA-N 0 0 334.423 4.749 10 0 EJAERN COc1ccc(Cc2nc3ccc(Cl)cc3n2C(C)C)cc1OC ZINC000040417363 213301390 /nfs/dbraw/zinc/30/13/90/213301390.db2.gz SDJKPPOIGBYLPU-UHFFFAOYSA-N 0 0 344.842 4.879 10 0 EJAERN COCCn1c(Cc2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000040404658 213298891 /nfs/dbraw/zinc/29/88/91/213298891.db2.gz JJXOBLSRYIFVAB-UHFFFAOYSA-N 0 0 335.234 4.580 10 0 EJAERN COc1ccccc1C(=O)Nc1cc(C)nc2c(C)c(Cl)ccc12 ZINC000040359556 213293598 /nfs/dbraw/zinc/29/35/98/213293598.db2.gz CICWLJOFQDGYAP-UHFFFAOYSA-N 0 0 340.810 4.766 10 0 EJAERN Cc1cc2nc(CCO)n(Cc3c(Cl)cccc3Cl)c2cc1C ZINC000040310696 213291205 /nfs/dbraw/zinc/29/12/05/213291205.db2.gz MGIHZPDOTQBBSY-UHFFFAOYSA-N 0 0 349.261 4.543 10 0 EJAERN Cc1ccc(NC(=O)Cn2c3ccccc3nc2-c2ccco2)cc1C ZINC000040307856 213291010 /nfs/dbraw/zinc/29/10/10/213291010.db2.gz SUERELMLMOUHCW-UHFFFAOYSA-N 0 0 345.402 4.552 10 0 EJAERN CCCCCCn1c(CNC(=O)C(CC)CC)nc2ccccc21 ZINC000040275007 213287341 /nfs/dbraw/zinc/28/73/41/213287341.db2.gz BRMGSLRBYGENPE-UHFFFAOYSA-N 0 0 329.488 4.669 10 0 EJAERN COCc1nc2ccccc2n1CCCCOc1c(C)cccc1C ZINC000040232078 213284140 /nfs/dbraw/zinc/28/41/40/213284140.db2.gz BMZWGMQSMIAZKD-UHFFFAOYSA-N 0 0 338.451 4.659 10 0 EJAERN COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)oc2C)cc1 ZINC000040178775 213279798 /nfs/dbraw/zinc/27/97/98/213279798.db2.gz YCDRSQBQCMGQSF-UHFFFAOYSA-N 0 0 349.386 4.602 10 0 EJAERN CCc1ccc2oc(C(=O)Nc3ccc(OC)cc3OC)c(C)c2c1 ZINC000040037329 213252295 /nfs/dbraw/zinc/25/22/95/213252295.db2.gz PTTYPQADQDACLU-UHFFFAOYSA-N 0 0 339.391 4.573 10 0 EJAERN O=C(c1ccc(Br)cc1)c1cccc2c(Cl)c[nH]c21 ZINC000039643334 213241519 /nfs/dbraw/zinc/24/15/19/213241519.db2.gz AQGAUDHKENVWGE-UHFFFAOYSA-N 0 0 334.600 4.815 10 0 EJAERN Brc1ccc(CNc2cncc(-c3ccncc3)c2)cc1 ZINC000038305524 213208129 /nfs/dbraw/zinc/20/81/29/213208129.db2.gz QYWRIOMVVZTBCH-UHFFFAOYSA-N 0 0 340.224 4.518 10 0 EJAERN Brc1cccc(COc2ccccc2Br)c1 ZINC000020014405 202029377 /nfs/dbraw/zinc/02/93/77/202029377.db2.gz NIWPLCALFJNXES-UHFFFAOYSA-N 0 0 342.030 4.791 10 0 EJAERN CCc1nnc(SCc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000020427105 202042192 /nfs/dbraw/zinc/04/21/92/202042192.db2.gz AZMNKSKRZRHZHK-UHFFFAOYSA-N 0 0 329.856 4.775 10 0 EJAERN Cc1ccc(NC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1C ZINC000023118645 202097543 /nfs/dbraw/zinc/09/75/43/202097543.db2.gz XHLIIURSHCNTEO-UHFFFAOYSA-N 0 0 340.423 4.747 10 0 EJAERN C[C@@H](NC(=O)c1cccnc1Oc1ccc(F)cc1)c1cccs1 ZINC000028570798 202172271 /nfs/dbraw/zinc/17/22/71/202172271.db2.gz LRQBXHMVEXEFBO-GFCCVEGCSA-N 0 0 342.395 4.566 10 0 EJAERN Cc1ccc([C@@H](C)N(C)C(=O)c2csc(Br)c2)s1 ZINC000037845932 213170257 /nfs/dbraw/zinc/17/02/57/213170257.db2.gz OSOHFVMHMNCRIY-SECBINFHSA-N 0 0 344.299 4.714 10 0 EJAERN CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)Cc1ccc(Br)cc1 ZINC000037529849 213154378 /nfs/dbraw/zinc/15/43/78/213154378.db2.gz NPQPFJPRUQYUJE-KBRIMQKVSA-N 0 0 325.290 4.815 10 0 EJAERN CC(C)(C)c1cc(Cl)nc(-c2ccc(Br)cc2)n1 ZINC000037504373 213151944 /nfs/dbraw/zinc/15/19/44/213151944.db2.gz GRFXKJBMLZHIMJ-UHFFFAOYSA-N 0 0 325.637 4.857 10 0 EJAERN O=C(c1ccc2c(c1)CCC2)c1cc(Br)ccc1Cl ZINC000037287675 213138042 /nfs/dbraw/zinc/13/80/42/213138042.db2.gz SAOXECBCHIQYCB-UHFFFAOYSA-N 0 0 335.628 4.822 10 0 EJAERN Cc1ccc(CNc2c(F)cc(F)cc2Br)cc1C ZINC000037253174 213136027 /nfs/dbraw/zinc/13/60/27/213136027.db2.gz RWBBAFQVIDKARR-UHFFFAOYSA-N 0 0 326.184 4.956 10 0 EJAERN CCCCCCNc1ccc(C(=O)OCC)cc1Br ZINC000036958775 213127616 /nfs/dbraw/zinc/12/76/16/213127616.db2.gz KTSXTKJCBJGRSC-UHFFFAOYSA-N 0 0 328.250 4.618 10 0 EJAERN COc1ccc(C(=O)Cc2ccc(Br)cc2)cc1Cl ZINC000036944559 213126219 /nfs/dbraw/zinc/12/62/19/213126219.db2.gz WKZXBYOZQPITPK-UHFFFAOYSA-N 0 0 339.616 4.537 10 0 EJAERN CCC(=O)Nc1nc(C)c(Cc2cc(Cl)ccc2Cl)s1 ZINC000036639178 213106226 /nfs/dbraw/zinc/10/62/26/213106226.db2.gz PHTVEGUFSYDBDJ-UHFFFAOYSA-N 0 0 329.252 4.698 10 0 EJAERN CCCCCOc1ccc(C(=O)Nc2cccc3nsnc32)cc1 ZINC000035672743 213045196 /nfs/dbraw/zinc/04/51/96/213045196.db2.gz LLNUUSSNHXIQGM-UHFFFAOYSA-N 0 0 341.436 4.513 10 0 EJAERN Cc1cc(Br)ccc1Nc1ccc2scnc2c1N ZINC000035344448 213023327 /nfs/dbraw/zinc/02/33/27/213023327.db2.gz FFCAHRNMHLCYIW-UHFFFAOYSA-N 0 0 334.242 4.693 10 0 EJAERN Cc1ccc(/C=C\C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000033307194 202256450 /nfs/dbraw/zinc/25/64/50/202256450.db2.gz ZBHRMOUHDQHBLL-MSUUIHNZSA-N 0 0 327.427 4.914 10 0 EJAERN Cc1ccc(N[C@@H](C)c2ccccc2)cc1I ZINC000035019177 213005179 /nfs/dbraw/zinc/00/51/79/213005179.db2.gz XPBGEVJNHUQZJQ-LBPRGKRZSA-N 0 0 337.204 4.773 10 0 EJAERN O=C(/C=C\c1c(F)cccc1Cl)Nc1ccc(Cl)cc1F ZINC000033316327 212922901 /nfs/dbraw/zinc/92/29/01/212922901.db2.gz JYZKQFGBVQRMTB-ALCCZGGFSA-N 0 0 328.145 4.924 10 0 EJAERN C[C@H](CCc1ccccc1)NC(=O)/C=C\c1c(F)cccc1Cl ZINC000033456408 202262230 /nfs/dbraw/zinc/26/22/30/202262230.db2.gz GMWHDGRCVUGDSJ-WUFNSSIPSA-N 0 0 331.818 4.630 10 0 EJAERN CCc1ccc(OCCCn2c(=O)cc(C)c3cc(C)cc(C)c32)cc1 ZINC000032530759 212808580 /nfs/dbraw/zinc/80/85/80/212808580.db2.gz RLBKYIYMRLEUNO-UHFFFAOYSA-N 0 0 349.474 4.958 10 0 EJAERN COc1cccc2c(C)cc(=O)n(Cc3cccc4ccccc43)c12 ZINC000032530808 212808635 /nfs/dbraw/zinc/80/86/35/212808635.db2.gz YCOCFOCZARFPPT-UHFFFAOYSA-N 0 0 329.399 4.520 10 0 EJAERN Cc1ccc(C2(c3noc(COc4cccnc4C)n3)CCCC2)cc1 ZINC000072156870 216046950 /nfs/dbraw/zinc/04/69/50/216046950.db2.gz SGHJECRCOCKZIX-UHFFFAOYSA-N 0 0 349.434 4.521 10 0 EJAERN O=C(c1ccc(Br)cc1)c1c(Cl)cccc1Cl ZINC000036941776 202334043 /nfs/dbraw/zinc/33/40/43/202334043.db2.gz VYGJNHPPWVRQHY-UHFFFAOYSA-N 0 0 330.008 4.987 10 0 EJAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2cccc(F)c2)s1 ZINC000072260841 216085631 /nfs/dbraw/zinc/08/56/31/216085631.db2.gz VIRUSAJYARZJAS-UHFFFAOYSA-N 0 0 336.395 4.944 10 0 EJAERN COc1ccc(Nc2nc(N3CCC[C@H](C)C3)nc3ccccc32)cc1 ZINC000072261069 216086027 /nfs/dbraw/zinc/08/60/27/216086027.db2.gz PMSDFHKZHUHLQL-HNNXBMFYSA-N 0 0 348.450 4.618 10 0 EJAERN Cc1ccc(Nc2nc(N3CCC(C)CC3)nc3ccccc32)cc1 ZINC000072260469 216086122 /nfs/dbraw/zinc/08/61/22/216086122.db2.gz XPWAYZICFWOAPO-UHFFFAOYSA-N 0 0 332.451 4.918 10 0 EJAERN C[C@@](O)(Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000037530938 202344824 /nfs/dbraw/zinc/34/48/24/202344824.db2.gz SFUVQSJRGULFLO-OAHLLOKOSA-N 0 0 325.633 4.553 10 0 EJAERN Fc1cccc([C@H]2c3cccn3CCCN2Cc2cccs2)c1F ZINC000037523170 202345785 /nfs/dbraw/zinc/34/57/85/202345785.db2.gz SDZWSOJIHQDAAU-IBGZPJMESA-N 0 0 344.430 4.823 10 0 EJAERN O=Cc1cc(Cl)ccc1OCc1ccc(F)cc1Br ZINC000037302682 213138840 /nfs/dbraw/zinc/13/88/40/213138840.db2.gz CMMUNRLDPLUFER-UHFFFAOYSA-N 0 0 343.579 4.633 10 0 EJAERN Cc1nn(-c2ccc(Cl)cc2)cc1-c1ccnc(-c2ccccc2)n1 ZINC000072462002 216244525 /nfs/dbraw/zinc/24/45/25/216244525.db2.gz XSYFLGCKJHJGIY-UHFFFAOYSA-N 0 0 346.821 4.958 10 0 EJAERN COc1ccc(-c2ccnc3c(-c4ccc(Cl)cc4)cnn32)cc1 ZINC000072451625 216239684 /nfs/dbraw/zinc/23/96/84/216239684.db2.gz LCQWLKNGNVTFFH-UHFFFAOYSA-N 0 0 335.794 4.725 10 0 EJAERN Clc1ccc(-c2nc3nccc(-c4ccc(Cl)cc4)n3n2)cc1 ZINC000072451471 216240126 /nfs/dbraw/zinc/24/01/26/216240126.db2.gz IBALZYCYTMCKAE-UHFFFAOYSA-N 0 0 341.201 4.765 10 0 EJAERN C[C@@H](Nc1ccc(-n2cccn2)cc1)c1ccc(Br)s1 ZINC000038002640 213187340 /nfs/dbraw/zinc/18/73/40/213187340.db2.gz JPTLBMUAZJCYGI-LLVKDONJSA-N 0 0 348.269 4.869 10 0 EJAERN CC(C)CC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC000013586455 201365572 /nfs/dbraw/zinc/36/55/72/201365572.db2.gz LUPWFOJGRCESTC-UHFFFAOYSA-N 0 0 331.419 4.795 10 0 in-vivo EJAERN Nc1cccc(Oc2nc(Cl)nc3cc(-c4ccccc4)[nH]c32)c1 ZINC000073737458 216419124 /nfs/dbraw/zinc/41/91/24/216419124.db2.gz KYJJFIHCIGLQHD-UHFFFAOYSA-N 0 0 336.782 4.653 10 0 EJAERN O=c1[nH]c2cccc(Br)c2c(-c2ccccc2)c1Cl ZINC000196163869 241035624 /nfs/dbraw/zinc/03/56/24/241035624.db2.gz HYJRCKMQNOHTHF-UHFFFAOYSA-N 0 0 334.600 4.611 10 0 EJAERN Cc1ccc(-c2coc(-c3ccc(NC(=O)C4CC4)cc3)n2)c(C)c1 ZINC000021363100 212222340 /nfs/dbraw/zinc/22/23/40/212222340.db2.gz ZMCIKOLNJCTHFA-UHFFFAOYSA-N 0 0 332.403 4.974 10 0 EJAERN C[C@H]1c2ccsc2CCN1Cc1ccc(Br)cc1F ZINC000070139383 203074192 /nfs/dbraw/zinc/07/41/92/203074192.db2.gz MRGYUZPTOBSQJX-JTQLQIEISA-N 0 0 340.261 4.769 10 0 EJAERN Ic1ccc(N[C@@H]2CCCc3ccccc32)cc1 ZINC000020477233 212135558 /nfs/dbraw/zinc/13/55/58/212135558.db2.gz ZDFCQIDMAJGODN-MRXNPFEDSA-N 0 0 349.215 4.781 10 0 EJAERN CCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000253610512 244037778 /nfs/dbraw/zinc/03/77/78/244037778.db2.gz XECLXJZDYKMJFL-TZVXGSHHSA-N 0 0 344.495 4.840 10 0 EJAERN N[C@H](c1cc2cc(Br)ccc2o1)c1ccc(Cl)cc1 ZINC000020389758 212124526 /nfs/dbraw/zinc/12/45/26/212124526.db2.gz CTXIXGGZEGAYNU-HNNXBMFYSA-N 0 0 336.616 4.897 10 0 EJAERN COc1c(Cl)cccc1NC(=O)N[C@@H](C)c1ccccc1Cl ZINC000072025674 203158026 /nfs/dbraw/zinc/15/80/26/203158026.db2.gz VYQVIHBGBLRXEZ-JTQLQIEISA-N 0 0 339.222 4.885 10 0 EJAERN CC[C@@H](CO)Nc1ncnc2scc(-c3ccc(C(C)C)cc3)c21 ZINC000020322189 212119374 /nfs/dbraw/zinc/11/93/74/212119374.db2.gz PUCKRIRCXWHKHR-HNNXBMFYSA-N 0 0 341.480 4.665 10 0 EJAERN c1ccc(-c2ccc(-c3ccnc4nc(-c5ccncc5)nn43)cc2)cc1 ZINC000072451369 203226349 /nfs/dbraw/zinc/22/63/49/203226349.db2.gz NEVKWLHGGGYYKJ-UHFFFAOYSA-N 0 0 349.397 4.520 10 0 EJAERN c1ccc(-c2ccc(-c3ccnc4nc(-c5cccnc5)nn43)cc2)cc1 ZINC000072451340 203227397 /nfs/dbraw/zinc/22/73/97/203227397.db2.gz NRFSUAOAMKAZSI-UHFFFAOYSA-N 0 0 349.397 4.520 10 0 EJAERN CCOC(=O)c1sc2ncnc(Nc3cccc(C)c3C)c2c1C ZINC000019953974 212089231 /nfs/dbraw/zinc/08/92/31/212089231.db2.gz YRCHRXWMZCIUES-UHFFFAOYSA-N 0 0 341.436 4.537 10 0 EJAERN CC[C@H](Nc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000019916246 212083735 /nfs/dbraw/zinc/08/37/35/212083735.db2.gz IYSGBYLIKQHVJV-HNNXBMFYSA-N 0 0 348.240 4.784 10 0 EJAERN FC(F)(F)Oc1ccccc1NCc1ccc(Br)o1 ZINC000019913375 212083567 /nfs/dbraw/zinc/08/35/67/212083567.db2.gz GZROEAFOTQTBNY-UHFFFAOYSA-N 0 0 336.107 4.553 10 0 EJAERN COc1cc([C@H](C)Nc2ccc(Br)c(C)c2)ccc1O ZINC000019908141 212082997 /nfs/dbraw/zinc/08/29/97/212082997.db2.gz VCRCJLIZVRSFKT-NSHDSACASA-N 0 0 336.229 4.645 10 0 EJAERN Cc1cc(N[C@H](C)c2nc3ccccc3n2C)ccc1Br ZINC000019908146 212083000 /nfs/dbraw/zinc/08/30/00/212083000.db2.gz QJZJIFAGCYZGHQ-GFCCVEGCSA-N 0 0 344.256 4.817 10 0 EJAERN COc1ccc(OC)c(N[C@@H](C)c2cccc(Br)c2)c1 ZINC000019910478 212082761 /nfs/dbraw/zinc/08/27/61/212082761.db2.gz CXHCDIHRCFDAES-NSHDSACASA-N 0 0 336.229 4.639 10 0 EJAERN C[C@H](Nc1ccccc1Br)c1ccc2c(c1)OCCCO2 ZINC000019922815 212084791 /nfs/dbraw/zinc/08/47/91/212084791.db2.gz ZWTABNVTEGOXRQ-LBPRGKRZSA-N 0 0 348.240 4.784 10 0 EJAERN Cc1ccc(NCc2ccc(Br)o2)c(Br)c1 ZINC000019901581 212080734 /nfs/dbraw/zinc/08/07/34/212080734.db2.gz HXDBGWUYRFOQGW-UHFFFAOYSA-N 0 0 345.034 4.725 10 0 EJAERN Nc1ccccc1COc1ccc2cc(Br)ccc2c1 ZINC000019803200 212069705 /nfs/dbraw/zinc/06/97/05/212069705.db2.gz ZWRSUGQQQUVJPX-UHFFFAOYSA-N 0 0 328.209 4.764 10 0 EJAERN Cc1ccc2c(c1)N(Cc1ccccc1)C(=O)CC(c1ccco1)=N2 ZINC000100898302 204000477 /nfs/dbraw/zinc/00/04/77/204000477.db2.gz YQDFUZDGVYGMKM-UHFFFAOYSA-N 0 0 330.387 4.646 10 0 EJAERN Cc1ccc(C[NH3+])c(Oc2ccc(Br)cc2Cl)c1 ZINC000103991120 204092400 /nfs/dbraw/zinc/09/24/00/204092400.db2.gz RXLHUHPCAYMHFD-UHFFFAOYSA-N 0 0 326.621 4.662 10 0 EJAERN Nc1ccc2nc(Sc3ccccc3Br)sc2c1 ZINC000104179800 204098693 /nfs/dbraw/zinc/09/86/93/204098693.db2.gz MJGZCTPOOMEXGT-UHFFFAOYSA-N 0 0 337.267 4.792 10 0 EJAERN O=Cc1ccc(OCc2ccc(Br)cc2F)c(Cl)c1 ZINC000104169221 204098757 /nfs/dbraw/zinc/09/87/57/204098757.db2.gz APXJUFMAZOGPRT-UHFFFAOYSA-N 0 0 343.579 4.633 10 0 EJAERN COc1ccc(Br)c2c(Cl)cc(C(F)(F)F)nc12 ZINC000049570204 214020619 /nfs/dbraw/zinc/02/06/19/214020619.db2.gz BNCZSCRYPTZGBN-UHFFFAOYSA-N 0 0 340.526 4.678 10 0 EJAERN O[C@H](Cc1c(F)cccc1Cl)c1cccc(Br)c1 ZINC000049346818 214001420 /nfs/dbraw/zinc/00/14/20/214001420.db2.gz DXKAUDAWMJLDNZ-CQSZACIVSA-N 0 0 329.596 4.518 10 0 EJAERN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC(=O)[C@]4(C)[C@H]3CC[C@]12C ZINC000118912688 204615207 /nfs/dbraw/zinc/61/52/07/204615207.db2.gz VRKZRMXFPPHWKJ-DGWDJNBYSA-N 0 0 332.484 4.530 10 0 EJAERN COc1ccc(-c2cc(-c3cccc(Br)c3)on2)cc1 ZINC000090547517 217937274 /nfs/dbraw/zinc/93/72/74/217937274.db2.gz VTMJKGJLULXGRV-UHFFFAOYSA-N 0 0 330.181 4.780 10 0 EJAERN Cc1c2ccccc2sc1CCNC(=O)c1ccccc1Cl ZINC000090624398 217946369 /nfs/dbraw/zinc/94/63/69/217946369.db2.gz XTXGCRPECQQWMO-UHFFFAOYSA-N 0 0 329.852 4.836 10 0 EJAERN CCc1cn(-c2ccccc2)c(=O)c(Sc2ccc(F)cc2)c1C ZINC000090415723 217928633 /nfs/dbraw/zinc/92/86/33/217928633.db2.gz OSZJWTKTJFMRTN-UHFFFAOYSA-N 0 0 339.435 4.999 10 0 EJAERN C[C@@H](Sc1ccc2ccccc2n1)C(=O)N[C@@H](C)c1ccccc1 ZINC000010962086 211197428 /nfs/dbraw/zinc/19/74/28/211197428.db2.gz VWVKGXNWSSWNIA-LSDHHAIUSA-N 0 0 336.460 4.593 10 0 EJAERN CC(C)C[C@H](CSC(F)(F)F)NC(=O)OCc1ccccc1 ZINC000095918490 218450291 /nfs/dbraw/zinc/45/02/91/218450291.db2.gz QTZODAZXTOJKHE-CYBMUJFWSA-N 0 0 335.391 4.581 10 0 EJAERN Cc1ccc(C)c(NC(=O)/C=C/c2ccc(Br)cc2)c1 ZINC000006272082 210609871 /nfs/dbraw/zinc/60/98/71/210609871.db2.gz FRKCTQVZKLPRQV-JXMROGBWSA-N 0 0 330.225 4.718 10 0 EJAERN COc1cc(/C=C\c2ccc(Br)cc2)cc(OC)c1OC ZINC000005808105 210540949 /nfs/dbraw/zinc/54/09/49/210540949.db2.gz UBBBWYGKBDCYDY-PLNGDYQASA-N 0 0 349.224 4.645 10 0 EJAERN COc1ccccc1/C=C\C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000096437813 218818177 /nfs/dbraw/zinc/81/81/77/218818177.db2.gz UKDBCCBMOPGNDD-TWGQIWQCSA-N 0 0 339.288 4.505 10 0 EJAERN COc1ccccc1C(=O)Nc1nc(-c2cc(C)ccc2C)cs1 ZINC000005380041 210453916 /nfs/dbraw/zinc/45/39/16/210453916.db2.gz MSUUGMRWYCSFPW-UHFFFAOYSA-N 0 0 338.432 4.688 10 0 EJAERN CCSc1nc(=O)c2c(-c3ccc(C(C)C)cc3)csc2[nH]1 ZINC000005238817 210419721 /nfs/dbraw/zinc/41/97/21/210419721.db2.gz RBYVBDCINOBVPQ-UHFFFAOYSA-N 0 0 330.478 4.887 10 0 EJAERN CC(C)C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005284458 210432371 /nfs/dbraw/zinc/43/23/71/210432371.db2.gz LQPIFHRRBYNBMU-UHFFFAOYSA-N 0 0 329.443 4.751 10 0 EJAERN Cc1ccc(Oc2ncnc(N3CCCc4ccccc43)c2N)cc1C ZINC000040780410 132407689 /nfs/dbraw/zinc/40/76/89/132407689.db2.gz WNIFJARPOKVQDN-UHFFFAOYSA-N 0 0 346.434 4.552 10 0 EJAERN c1ccc2cc(-c3ccnc(N4CCc5ccccc5C4)n3)ccc2c1 ZINC000059111532 132804735 /nfs/dbraw/zinc/80/47/35/132804735.db2.gz XOHNKJZQKUETAW-UHFFFAOYSA-N 0 0 337.426 4.860 10 0 EJAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Cl)ccc1Cl ZINC000125367203 222553557 /nfs/dbraw/zinc/55/35/57/222553557.db2.gz TZZCRISTGMTZSS-SCZZXKLOSA-N 0 0 340.172 4.844 10 0 EJAERN Cc1c(Sc2ccc(Cl)cc2)cnn1C(=O)c1ccccc1 ZINC000000123275 563235424 /nfs/dbraw/zinc/23/54/24/563235424.db2.gz XOPPGFPRCCESOF-UHFFFAOYSA-N 0 0 328.824 4.685 10 0 EJAERN COc1cc(/C=C/C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OC ZINC000007608106 563607639 /nfs/dbraw/zinc/60/76/39/563607639.db2.gz VDOXCPZIWRYWEV-BQYQJAHWSA-N 0 0 345.826 4.626 10 0 EJAERN CC(C)C(=O)Nc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1 ZINC000014229100 563752723 /nfs/dbraw/zinc/75/27/23/563752723.db2.gz FNMQDXWDSOPVNA-UHFFFAOYSA-N 0 0 338.432 4.777 10 0 EJAERN BrC(Br)=Cc1ccccc1Br ZINC000095936392 563874099 /nfs/dbraw/zinc/87/40/99/563874099.db2.gz WPXYIPSCTZZKNN-UHFFFAOYSA-N 0 0 340.840 4.537 10 0 EJAERN COc1cc(C)ccc1C[C@@H](C)[C@H](C)Cc1ccc(O)cc1OC ZINC000098214435 563982264 /nfs/dbraw/zinc/98/22/64/563982264.db2.gz RCQMGHJJRPUIPT-HZPDHXFCSA-N 0 0 328.452 4.775 10 0 EJAERN Cc1nn(C)c2nc(OCc3cccc(F)c3)cc(-c3ccccc3)c12 ZINC000045995159 564029069 /nfs/dbraw/zinc/02/90/69/564029069.db2.gz MERDXXNEEGKDBU-UHFFFAOYSA-N 0 0 347.393 4.662 10 0 EJAERN O=C1c2c(c3ccccc3n2Cc2ccccc2)CN1C1CCCCC1 ZINC000000045184 564082411 /nfs/dbraw/zinc/08/24/11/564082411.db2.gz WUDQLBRMJYFGEG-UHFFFAOYSA-N 0 0 344.458 4.978 10 0 EJAERN CC1=C(C#N)[C@@H](c2cc(-c3ccccc3)cs2)C2=C(CCCC2=O)N1 ZINC000048534421 564129301 /nfs/dbraw/zinc/12/93/01/564129301.db2.gz USJQQSFQQVCYPI-FQEVSTJZSA-N 0 0 346.455 4.907 10 0 EJAERN O=C(C1CCC1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907703 564177032 /nfs/dbraw/zinc/17/70/32/564177032.db2.gz PRGVCHYCYNDGLI-LJQANCHMSA-N 0 0 346.430 4.958 10 0 EJAERN C=C/C=C/CCC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685961027 564177165 /nfs/dbraw/zinc/17/71/65/564177165.db2.gz ADPRQMPPWJBNRM-VOTSOKGWSA-N 0 0 343.467 4.905 10 0 EJAERN CC(C)=CCCC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685962060 564177243 /nfs/dbraw/zinc/17/72/43/564177243.db2.gz SPEYOAVTGANWRW-UHFFFAOYSA-N 0 0 331.456 4.739 10 0 EJAERN Clc1nc2ccccc2c(Oc2ccccc2Br)n1 ZINC000052811322 214147681 /nfs/dbraw/zinc/14/76/81/214147681.db2.gz RJGOKRPGYHXQGZ-UHFFFAOYSA-N 0 0 335.588 4.838 10 0 EJAERN CC(=O)c1c(F)cccc1Sc1cccc(Br)c1 ZINC000055308035 214304156 /nfs/dbraw/zinc/30/41/56/214304156.db2.gz UOOYVYPYBBVDBB-UHFFFAOYSA-N 0 0 325.202 4.942 10 0 EJAERN C[C@H](Nc1c(N)cccc1Cl)c1ccc(Br)cc1 ZINC000049525283 214014086 /nfs/dbraw/zinc/01/40/86/214014086.db2.gz OQHGCZYYLWQBGQ-VIFPVBQESA-N 0 0 325.637 4.858 10 0 EJAERN Fc1cc(F)c(F)c(NCc2cc(Br)ccc2F)c1 ZINC000061095411 214654974 /nfs/dbraw/zinc/65/49/74/214654974.db2.gz XPFYYKMGNGZOHX-UHFFFAOYSA-N 0 0 334.110 4.618 10 0 EJAERN Cc1ccc(-c2nc3ncsc3c(Cl)n2)nc1-c1ccccc1 ZINC000098180011 219086574 /nfs/dbraw/zinc/08/65/74/219086574.db2.gz IEDHGPYLJYKKTA-UHFFFAOYSA-N 0 0 338.823 4.777 10 0 EJAERN FC(F)(Br)C(F)(F)CCSCc1ccccc1 ZINC000098210510 219087428 /nfs/dbraw/zinc/08/74/28/219087428.db2.gz MVIOFPWNKXWCAC-UHFFFAOYSA-N 0 0 331.172 4.933 10 0 EJAERN O[C@@H](Cc1c(F)cccc1Cl)c1cc(F)ccc1Br ZINC000062137935 214702094 /nfs/dbraw/zinc/70/20/94/214702094.db2.gz DWEBBDAWRRNHNT-AWEZNQCLSA-N 0 0 347.586 4.657 10 0 EJAERN CCSc1nnc(-c2cc3oc(C)cc3[nH]2)n1-c1ccc(C)cc1 ZINC000049454111 214009233 /nfs/dbraw/zinc/00/92/33/214009233.db2.gz LRDOAOMQGYDWJP-UHFFFAOYSA-N 0 0 338.436 4.737 10 0 EJAERN Cc1ccc2c(c1)N(C(C)C)C(=O)CC(c1ccc(Cl)cc1)=N2 ZINC000100898260 219110856 /nfs/dbraw/zinc/11/08/56/219110856.db2.gz SWOPISGVJRFDKF-UHFFFAOYSA-N 0 0 326.827 4.914 10 0 EJAERN Cc1ccc(Cc2sc(N)nc2C(C)(C)C)c(Br)c1 ZINC000103945590 219330909 /nfs/dbraw/zinc/33/09/09/219330909.db2.gz NASIPYIDCSTLAQ-UHFFFAOYSA-N 0 0 339.302 4.685 10 0 EJAERN CCCC1CCC(O)(Cc2ccc(F)c(Br)c2)CC1 ZINC000103941803 219331468 /nfs/dbraw/zinc/33/14/68/219331468.db2.gz OVHJFZQNBJNIST-UHFFFAOYSA-N 0 0 329.253 4.852 10 0 EJAERN O=C(Cc1ccc(Br)cc1F)c1ccc(F)c(Cl)c1 ZINC000103936325 219330132 /nfs/dbraw/zinc/33/01/32/219330132.db2.gz PAKQKWTWMSYKFC-UHFFFAOYSA-N 0 0 345.570 4.806 10 0 EJAERN COc1ccc(COC[C@H]2CC=CC[C@@H]2C)cc1Br ZINC000103987682 219336208 /nfs/dbraw/zinc/33/62/08/219336208.db2.gz RFUXLPJJKOZWDZ-GXTWGEPZSA-N 0 0 325.246 4.577 10 0 EJAERN CCCNc1cc(COC)nc2c(Cl)ccc(Br)c12 ZINC000104019171 219338981 /nfs/dbraw/zinc/33/89/81/219338981.db2.gz DOAAGVYWKLUJJQ-UHFFFAOYSA-N 0 0 343.652 4.619 10 0 EJAERN Fc1ccc(Nc2ccc(Br)cn2)cc1C(F)(F)F ZINC000103975086 219335320 /nfs/dbraw/zinc/33/53/20/219335320.db2.gz UWDBSKCDFGNOGI-UHFFFAOYSA-N 0 0 335.098 4.746 10 0 EJAERN COc1ccc([C@@H](O)CCC2CCCCC2)cc1Br ZINC000104040808 219341300 /nfs/dbraw/zinc/34/13/00/219341300.db2.gz SQVSSNMPXFXNBT-HNNXBMFYSA-N 0 0 327.262 4.852 10 0 EJAERN Cc1cc(C)c(-n2ncc(Br)c2C(F)(F)F)c(C)c1 ZINC000104164836 219354604 /nfs/dbraw/zinc/35/46/04/219354604.db2.gz RIPKIJGZMZEEEN-UHFFFAOYSA-N 0 0 333.151 4.579 10 0 EJAERN CC(C)c1c(Cl)ncnc1Nc1ccc(Br)cc1 ZINC000104226208 219363464 /nfs/dbraw/zinc/36/34/64/219363464.db2.gz MKIADPCFZTZXEJ-UHFFFAOYSA-N 0 0 326.625 4.760 10 0 EJAERN C[C@@H](O)c1cc(F)ccc1Sc1ccccc1Br ZINC000104298620 219371735 /nfs/dbraw/zinc/37/17/35/219371735.db2.gz APWUSHXZKIKWAE-SECBINFHSA-N 0 0 327.218 4.793 10 0 EJAERN OCc1c(Cl)cccc1Sc1cccc(Br)c1 ZINC000104290025 219371059 /nfs/dbraw/zinc/37/10/59/219371059.db2.gz PDESHLGEHHWXEW-UHFFFAOYSA-N 0 0 329.646 4.746 10 0 EJAERN CC[NH2+]Cc1ccc(Br)cc1Sc1cccs1 ZINC000104296983 219372185 /nfs/dbraw/zinc/37/21/85/219372185.db2.gz ZFFBTXZQUGDKPT-UHFFFAOYSA-N 0 0 328.300 4.771 10 0 EJAERN Clc1cc(Br)cc(Cl)c1NC[C@H]1CCCOC1 ZINC000104311642 219373121 /nfs/dbraw/zinc/37/31/21/219373121.db2.gz LXUFFHGHFHZGMX-MRVPVSSYSA-N 0 0 339.060 4.594 10 0 EJAERN Cc1cc(-c2nc3cc(Br)ccc3s2)c(N)s1 ZINC000104348497 219377764 /nfs/dbraw/zinc/37/77/64/219377764.db2.gz ZBVSYCJGBPSJPH-UHFFFAOYSA-N 0 0 325.256 4.678 10 0 EJAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1Nc1cccc(Cl)c1 ZINC000040781749 213386147 /nfs/dbraw/zinc/38/61/47/213386147.db2.gz RVRKPPJZCYWDFZ-UHFFFAOYSA-N 0 0 346.221 4.853 10 0 EJAERN Cc1cc(Oc2ncnc(Nc3ccccc3)c2N)ccc1Cl ZINC000040781104 213385661 /nfs/dbraw/zinc/38/56/61/213385661.db2.gz LGAOOOWOQOLXHV-UHFFFAOYSA-N 0 0 326.787 4.557 10 0 EJAERN Cc1ccc2nc(Nc3ncnc(Oc4ccccc4)c3N)sc2c1 ZINC000040783588 213386686 /nfs/dbraw/zinc/38/66/86/213386686.db2.gz HRIOJRJPDOQLHG-UHFFFAOYSA-N 0 0 349.419 4.513 10 0 EJAERN Cc1ccc(Sc2ncnc(Oc3ccc(C)c(C)c3)c2N)cc1 ZINC000040783445 213386521 /nfs/dbraw/zinc/38/65/21/213386521.db2.gz OEJTXDYBAGXLTD-UHFFFAOYSA-N 0 0 337.448 4.928 10 0 EJAERN CC(C)CN(CC(C)C)c1ncnc(Nc2cccc(Cl)c2)c1N ZINC000040735661 213378562 /nfs/dbraw/zinc/37/85/62/213378562.db2.gz CBORNGSZXKQUHU-UHFFFAOYSA-N 0 0 347.894 4.574 10 0 EJAERN CC(C)c1ccc(Oc2ncnc(N3CCc4ccccc43)c2N)cc1 ZINC000040687296 213369414 /nfs/dbraw/zinc/36/94/14/213369414.db2.gz FDMYOPRZHAQOIA-UHFFFAOYSA-N 0 0 346.434 4.669 10 0 EJAERN Cc1cc(Cl)ccc1Nc1ncnc(Nc2ccccc2)c1N ZINC000040703282 213372162 /nfs/dbraw/zinc/37/21/62/213372162.db2.gz ZWEODHGYVCNBRR-UHFFFAOYSA-N 0 0 325.803 4.508 10 0 EJAERN CC(C)c1ccc(Oc2ncnc(NC3CCCCC3)c2N)cc1 ZINC000040708428 213371758 /nfs/dbraw/zinc/37/17/58/213371758.db2.gz IFFGVIQOCXOETC-UHFFFAOYSA-N 0 0 326.444 4.719 10 0 EJAERN Cc1ccc(Cl)cc1Nc1ncnc(Sc2ccccc2)c1N ZINC000040704953 213371763 /nfs/dbraw/zinc/37/17/63/213371763.db2.gz DPUKFEOQMZCRPO-UHFFFAOYSA-N 0 0 342.855 4.915 10 0 EJAERN CCN(c1ccccc1)c1ncnc(Oc2ccc(C)c(C)c2)c1N ZINC000040679824 213367620 /nfs/dbraw/zinc/36/76/20/213367620.db2.gz MMSARMIBACCCHK-UHFFFAOYSA-N 0 0 334.423 4.626 10 0 EJAERN CCCCOCCOC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000002010663 209810692 /nfs/dbraw/zinc/81/06/92/209810692.db2.gz IRLJKGHTPKJLFX-UHFFFAOYSA-N 0 0 349.254 4.512 10 0 EJAERN CN(C)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000001940050 209808105 /nfs/dbraw/zinc/80/81/05/209808105.db2.gz KNHAAXAGDGXGDX-ONNFQVAWSA-N 0 0 335.234 4.711 10 0 EJAERN Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2CCCO)c(C)c1 ZINC000040402212 213299329 /nfs/dbraw/zinc/29/93/29/213299329.db2.gz CPFOIAKQHJJRLC-UHFFFAOYSA-N 0 0 348.368 4.721 10 0 EJAERN COCCn1c(COc2cccc(C)c2C)nc2ccc(Cl)cc21 ZINC000040404771 213298392 /nfs/dbraw/zinc/29/83/92/213298392.db2.gz BNDFSWGLMKXVSU-UHFFFAOYSA-N 0 0 344.842 4.532 10 0 EJAERN O=C(NCc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1F ZINC000040323930 213292114 /nfs/dbraw/zinc/29/21/14/213292114.db2.gz LFOGLZQGTNVYHR-UHFFFAOYSA-N 0 0 346.814 4.533 10 0 EJAERN O[C@H](c1ccc(Br)s1)c1ccc(Cl)c(Cl)c1 ZINC000040260293 213284945 /nfs/dbraw/zinc/28/49/45/213284945.db2.gz WXPRCIVHTFRFKR-NSHDSACASA-N 0 0 338.053 4.899 10 0 EJAERN COc1cccc(OCCCn2c3ccccc3nc2C(C)(C)C)c1 ZINC000040239257 213284768 /nfs/dbraw/zinc/28/47/68/213284768.db2.gz DNCMTDVGFVESNT-UHFFFAOYSA-N 0 0 338.451 4.812 10 0 EJAERN COc1ccccc1Cn1c2ccccc2nc1-c1ccc(F)cc1 ZINC000040249691 213284772 /nfs/dbraw/zinc/28/47/72/213284772.db2.gz UWPFOWGCAKQDBD-UHFFFAOYSA-N 0 0 332.378 4.899 10 0 EJAERN CC(C)(C)c1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1 ZINC000040239324 213284845 /nfs/dbraw/zinc/28/48/45/213284845.db2.gz ZTMXWXQGEMQLOY-UHFFFAOYSA-N 0 0 326.827 4.870 10 0 EJAERN Cc1cccc(C)c1OCCn1c2ccccc2nc1C(F)(F)F ZINC000040231786 213283806 /nfs/dbraw/zinc/28/38/06/213283806.db2.gz CLDIANMJCHKKLQ-UHFFFAOYSA-N 0 0 334.341 4.751 10 0 EJAERN Cc1cc(C)c2nc(C)cc(NC(=O)Cc3ccc(Cl)cc3)c2c1 ZINC000040177101 213280049 /nfs/dbraw/zinc/28/00/49/213280049.db2.gz HUMUUXQOQRNKLJ-UHFFFAOYSA-N 0 0 338.838 4.995 10 0 EJAERN CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(F)cc3)oc2C)c1 ZINC000040178827 213279794 /nfs/dbraw/zinc/27/97/94/213279794.db2.gz WPWZBKMVVPNVJF-UHFFFAOYSA-N 0 0 337.350 4.849 10 0 EJAERN COCOC(C)(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H](O)CCC[C@]12C ZINC000069592731 215489485 /nfs/dbraw/zinc/48/94/85/215489485.db2.gz LBHSVFGWJHBJHG-UWNKLTEFSA-N 0 0 338.532 4.791 10 0 EJAERN CCOc1ccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2)cc1 ZINC000001090244 209710016 /nfs/dbraw/zinc/71/00/16/209710016.db2.gz XBZWHOGILPKSCG-KRWDZBQOSA-N 0 0 333.840 4.517 10 0 EJAERN FC(F)Sc1ccccc1NCc1ccc(Br)o1 ZINC000019906632 202024911 /nfs/dbraw/zinc/02/49/11/202024911.db2.gz NCEIVHCUTWXXNL-UHFFFAOYSA-N 0 0 334.185 4.969 10 0 EJAERN Cc1nccc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)n1 ZINC000038037716 213195164 /nfs/dbraw/zinc/19/51/64/213195164.db2.gz QURRDVMJFJPHQH-QMMMGPOBSA-N 0 0 330.646 4.596 10 0 EJAERN Cc1nc2sc3c(c2c(Nc2ccc(O)cc2)n1)CC[C@@H](C)C3 ZINC000020323892 202038154 /nfs/dbraw/zinc/03/81/54/202038154.db2.gz ORHZRWHXCZXXPM-SNVBAGLBSA-N 0 0 325.437 4.574 10 0 EJAERN C[C@H](Nc1cccc(-n2ccnc2)c1)c1ccc(Br)s1 ZINC000038002505 202082106 /nfs/dbraw/zinc/08/21/06/202082106.db2.gz CIZKLBDKKGQQSS-NSHDSACASA-N 0 0 348.269 4.869 10 0 EJAERN Brc1cccc(OCc2ccccc2Br)c1 ZINC000021815728 202072268 /nfs/dbraw/zinc/07/22/68/202072268.db2.gz KIWHOADAXBZYRI-UHFFFAOYSA-N 0 0 342.030 4.791 10 0 EJAERN CCN(CC)c1ccc(Nc2ncnc3sc4c(c32)CCC4)cc1 ZINC000028165829 202166060 /nfs/dbraw/zinc/16/60/60/202166060.db2.gz GGXOZBLOZWQZKX-UHFFFAOYSA-N 0 0 338.480 4.770 10 0 EJAERN Clc1ccc(NCc2nc3cc(Br)ccc3[nH]2)cc1 ZINC000037599878 213160105 /nfs/dbraw/zinc/16/01/05/213160105.db2.gz SPXPQGMMYMONOK-UHFFFAOYSA-N 0 0 336.620 4.591 10 0 EJAERN CCCn1c(C(=O)N(C)Cc2ccccc2)cc2sc(C)cc21 ZINC000037526223 213154449 /nfs/dbraw/zinc/15/44/49/213154449.db2.gz YDBDCYHKJWZKAN-UHFFFAOYSA-N 0 0 326.465 4.693 10 0 EJAERN C[C@](O)(Cc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000037530893 213154503 /nfs/dbraw/zinc/15/45/03/213154503.db2.gz MDGPYJUCISNQQL-HNNXBMFYSA-N 0 0 325.633 4.553 10 0 EJAERN C[C@@](O)(Cc1ccccc1Cl)c1ccccc1Br ZINC000037531040 213154105 /nfs/dbraw/zinc/15/41/05/213154105.db2.gz QAZLIFVHPLVSEY-OAHLLOKOSA-N 0 0 325.633 4.553 10 0 EJAERN Nc1cc(CSc2ccc(Br)cc2)ccc1Cl ZINC000037402997 213144447 /nfs/dbraw/zinc/14/44/47/213144447.db2.gz TWKIEWDXZMNSPK-UHFFFAOYSA-N 0 0 328.662 4.977 10 0 EJAERN Fc1cc(Br)ccc1CNc1cccc(Cl)c1F ZINC000036668651 213109017 /nfs/dbraw/zinc/10/90/17/213109017.db2.gz GASWJWCAXABEOX-UHFFFAOYSA-N 0 0 332.575 4.993 10 0 EJAERN CC(=O)Nc1nc(C)c(Cc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000036639163 213106847 /nfs/dbraw/zinc/10/68/47/213106847.db2.gz DPBGXUZBIOCSFM-UHFFFAOYSA-N 0 0 348.777 4.673 10 0 EJAERN O=C(NC1(Cc2ccccc2)CCCCC1)c1cnc2ccccc2c1 ZINC000035825188 213050438 /nfs/dbraw/zinc/05/04/38/213050438.db2.gz XZAWGXJIXKEQBI-UHFFFAOYSA-N 0 0 344.458 4.910 10 0 EJAERN C[C@H](O)c1cc(F)ccc1Oc1ccc(F)cc1Br ZINC000035632040 213044105 /nfs/dbraw/zinc/04/41/05/213044105.db2.gz NGTHRSWDECDRHW-QMMMGPOBSA-N 0 0 329.140 4.573 10 0 EJAERN Cc1ccc(-c2cncc(C(=O)N[C@H]3CCCc4ccccc43)c2)cc1 ZINC000035514643 213035481 /nfs/dbraw/zinc/03/54/81/213035481.db2.gz LTQIKHWVKZIMOL-QFIPXVFZSA-N 0 0 342.442 4.864 10 0 EJAERN Cc1nc2cc(Nc3ccc(Br)cc3)c(N)cc2s1 ZINC000035342633 213023316 /nfs/dbraw/zinc/02/33/16/213023316.db2.gz HIUWHMIPLAVJOZ-UHFFFAOYSA-N 0 0 334.242 4.693 10 0 EJAERN O=C(/C=C\c1ccc(Cl)c(Cl)c1)N1CCc2ccccc2C1 ZINC000033316778 202257373 /nfs/dbraw/zinc/25/73/73/202257373.db2.gz PVNZOWGGEVFJFK-VURMDHGXSA-N 0 0 332.230 4.592 10 0 EJAERN Cc1ccc(N[C@H](C)c2ccccc2)cc1I ZINC000035019178 213005700 /nfs/dbraw/zinc/00/57/00/213005700.db2.gz XPBGEVJNHUQZJQ-GFCCVEGCSA-N 0 0 337.204 4.773 10 0 EJAERN O=C(/C=C\c1ccccc1F)NCCC12CC3CC(CC(C3)C1)C2 ZINC000034989934 213003936 /nfs/dbraw/zinc/00/39/36/213003936.db2.gz VGDQIRWEQVCXKH-WAYWQWQTSA-N 0 0 327.443 4.562 10 0 EJAERN COc1c(Cl)ccc2ncnc(NCC(C)(C)c3ccccc3)c21 ZINC000034949035 213002691 /nfs/dbraw/zinc/00/26/91/213002691.db2.gz ASEYCEHEPOUYNK-UHFFFAOYSA-N 0 0 341.842 4.682 10 0 EJAERN Fc1ccc([C@@]2(CC3CCOCC3)c3ccccc3-c3nccn32)cc1 ZINC000072109254 216010603 /nfs/dbraw/zinc/01/06/03/216010603.db2.gz RXXVIEXCMOKUEL-QFIPXVFZSA-N 0 0 348.421 4.611 10 0 EJAERN Cc1ccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000072114962 216011362 /nfs/dbraw/zinc/01/13/62/216011362.db2.gz AWKJWRQFXCVSLJ-UHFFFAOYSA-N 0 0 332.875 4.986 10 0 EJAERN Cc1ccccc1[C@H](C)NC(=O)Nc1cc(F)ccc1OC(C)C ZINC000072093513 216007680 /nfs/dbraw/zinc/00/76/80/216007680.db2.gz GPPSIMWOIKFJKB-AWEZNQCLSA-N 0 0 330.403 4.804 10 0 EJAERN COc1ccc(/C=C\c2cc(Br)c(OC)c(OC)c2)cc1 ZINC000035065242 202286832 /nfs/dbraw/zinc/28/68/32/202286832.db2.gz HORVHXITWDPZBG-PLNGDYQASA-N 0 0 349.224 4.645 10 0 in-vivo EJAERN CC(C)(C)OC(=O)N1CCC[C@@H](c2cccc(Br)c2)C1 ZINC000072187435 216068475 /nfs/dbraw/zinc/06/84/75/216068475.db2.gz WXELUJTUWXJRDE-CYBMUJFWSA-N 0 0 340.261 4.564 10 0 EJAERN CCCn1cc(Br)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000036859820 202333446 /nfs/dbraw/zinc/33/34/46/202333446.db2.gz JVVDXZOHGAKXBR-UHFFFAOYSA-N 0 0 341.636 4.566 10 0 EJAERN Cc1ccc(Nc2nc(N3CCC[C@H](C)C3)nc3ccccc32)cc1 ZINC000072260467 216086063 /nfs/dbraw/zinc/08/60/63/216086063.db2.gz FILQXZOXLWBPFY-INIZCTEOSA-N 0 0 332.451 4.918 10 0 EJAERN Cc1cc2c(nc(-c3cccnc3)nc2NCc2ccc(C)cc2)s1 ZINC000072260807 216086220 /nfs/dbraw/zinc/08/62/20/216086220.db2.gz CGROZDRWKFDVEF-UHFFFAOYSA-N 0 0 346.459 4.982 10 0 EJAERN Cc1c(Cl)cccc1NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000073647379 202369981 /nfs/dbraw/zinc/36/99/81/202369981.db2.gz LSJARYBTVMNGEZ-UHFFFAOYSA-N 0 0 346.833 4.504 10 0 EJAERN Nc1cc(F)c(Nc2ccc(Br)cc2Cl)c(F)c1 ZINC000038040044 202389458 /nfs/dbraw/zinc/38/94/58/202389458.db2.gz VPYAAQAWUJBQGZ-UHFFFAOYSA-N 0 0 333.563 4.707 10 0 EJAERN CCCOc1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1 ZINC000040978511 202468997 /nfs/dbraw/zinc/46/89/97/202468997.db2.gz QRZASPFFVBEGNM-UHFFFAOYSA-N 0 0 346.839 4.991 10 0 EJAERN Cc1c(-c2ccc(Br)cc2)nc2sc(C(C)C)nn12 ZINC000040963582 202469231 /nfs/dbraw/zinc/46/92/31/202469231.db2.gz YLOUAQTXUGMSCU-UHFFFAOYSA-N 0 0 336.258 4.652 10 0 EJAERN COC(=O)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000041054840 202470179 /nfs/dbraw/zinc/47/01/79/202470179.db2.gz BXMRSRLAGZQPJC-UHFFFAOYSA-N 0 0 346.308 4.784 10 0 EJAERN C[C@H](Nc1ccccc1N(C)C)c1sccc1Br ZINC000037304653 213138845 /nfs/dbraw/zinc/13/88/45/213138845.db2.gz FFPIRMGBGJOGLG-JTQLQIEISA-N 0 0 325.275 4.750 10 0 EJAERN CCOc1c(Br)cc(Cl)cc1N[C@@H]1C[C@H]2CC=C[C@@H]21 ZINC000037283956 213137495 /nfs/dbraw/zinc/13/74/95/213137495.db2.gz YDVGKRMIIZIWKW-SUZMYJTESA-N 0 0 342.664 4.878 10 0 EJAERN C(=C/c1ccnc(N2CCc3ccccc32)n1)\C=C/c1ccccc1 ZINC000072443632 216236606 /nfs/dbraw/zinc/23/66/06/216236606.db2.gz DPBAPWFOADNCER-YMSJWGFRSA-N 0 0 325.415 4.897 10 0 EJAERN Cc1cccc(-c2cc(=O)[nH]c(Nc3ccc(C(F)(F)F)cc3)n2)c1 ZINC000057341912 201139581 /nfs/dbraw/zinc/13/95/81/201139581.db2.gz CMTRJCPJBPNANG-UHFFFAOYSA-N 0 0 345.324 4.508 10 0 EJAERN COc1c(Cl)c(Cl)nc(C(Cl)(Cl)Cl)c1Cl ZINC000026023506 212505566 /nfs/dbraw/zinc/50/55/66/212505566.db2.gz KRKFLWNBOWTXEW-UHFFFAOYSA-N 0 0 329.825 4.877 10 0 EJAERN OCc1cccc(-c2ccnc3[nH]cc(Sc4cccs4)c32)c1 ZINC000090728056 201373217 /nfs/dbraw/zinc/37/32/17/201373217.db2.gz PIFRBARUGCDZBD-UHFFFAOYSA-N 0 0 338.457 4.935 10 0 EJAERN Nc1cc(F)ccc1-c1nc(-c2ccc(Oc3ccccc3)cc2)no1 ZINC000073637935 216403683 /nfs/dbraw/zinc/40/36/83/216403683.db2.gz NSTMRQSWQXUQNC-UHFFFAOYSA-N 0 0 347.349 4.917 10 0 EJAERN FC(F)(F)c1ccc(-c2nc(Cl)cc(-c3ccncc3)n2)cc1 ZINC000073695384 216413153 /nfs/dbraw/zinc/41/31/53/216413153.db2.gz IZAYWFJVOQILHU-UHFFFAOYSA-N 0 0 335.716 4.878 10 0 EJAERN C[C@@H](Oc1ccc(Br)cc1Cl)C(=O)c1ccccc1 ZINC000048101481 202590432 /nfs/dbraw/zinc/59/04/32/202590432.db2.gz UXLAOEVVJGUOMD-SNVBAGLBSA-N 0 0 339.616 4.753 10 0 EJAERN O=C(Nc1ccccc1F)c1cccc(Oc2cccc(Cl)c2)n1 ZINC000211681021 241082937 /nfs/dbraw/zinc/08/29/37/241082937.db2.gz RCCHHDWZUFURMC-UHFFFAOYSA-N 0 0 342.757 4.919 10 0 EJAERN Clc1cccc(-c2nccn2Cc2cn3cc(Cl)ccc3n2)c1 ZINC000201500544 241039415 /nfs/dbraw/zinc/03/94/15/241039415.db2.gz GSMDGGBKDGLNLU-UHFFFAOYSA-N 0 0 343.217 4.553 10 0 EJAERN CCOc1ccc2nc(Cl)c(CN(C(C)=O)C3CCCC3)cc2c1 ZINC000000412377 201468874 /nfs/dbraw/zinc/46/88/74/201468874.db2.gz KHADJPMPWGVUNA-UHFFFAOYSA-N 0 0 346.858 4.578 10 0 EJAERN Cc1ccc(/C=C/C(=O)Nc2ccc(C)cc2Br)cc1 ZINC000001937468 201523306 /nfs/dbraw/zinc/52/33/06/201523306.db2.gz KVZDSNXNHDXPCM-CSKARUKUSA-N 0 0 330.225 4.718 10 0 EJAERN CC(C)OC(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000001940198 201523374 /nfs/dbraw/zinc/52/33/74/201523374.db2.gz FDYUEXFHMYFJDR-FMIVXFBMSA-N 0 0 343.810 4.557 10 0 EJAERN O[C@H](Cc1ccccc1Cl)c1ccc(Br)c(F)c1 ZINC000062137350 202794299 /nfs/dbraw/zinc/79/42/99/202794299.db2.gz IYXSKNHKNXRMGD-CQSZACIVSA-N 0 0 329.596 4.518 10 0 EJAERN O=C1c2ccc(-c3nc4ccccc4s3)cc2C(=O)N1C1CCCC1 ZINC000021127352 212209500 /nfs/dbraw/zinc/20/95/00/212209500.db2.gz DKDVUTWEFNPKOE-UHFFFAOYSA-N 0 0 348.427 4.502 10 0 EJAERN COc1cc(C=O)cc(Oc2ccc(-c3ccccc3)cc2)c1OC ZINC000004227109 201594148 /nfs/dbraw/zinc/59/41/48/201594148.db2.gz QLZYBURHCXSYEZ-UHFFFAOYSA-N 0 0 334.371 4.976 10 0 EJAERN Cc1ccccc1[C@@H](C)Nc1ccccc1I ZINC000020479985 212135401 /nfs/dbraw/zinc/13/54/01/212135401.db2.gz LQDUDZLDVRUDCN-GFCCVEGCSA-N 0 0 337.204 4.773 10 0 EJAERN CCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000253610513 244037391 /nfs/dbraw/zinc/03/73/91/244037391.db2.gz XECLXJZDYKMJFL-XEFDQGCZSA-N 0 0 344.495 4.840 10 0 EJAERN N[C@@H](c1cc2cc(Cl)ccc2o1)c1ccc(Br)cc1 ZINC000020389718 212124360 /nfs/dbraw/zinc/12/43/60/212124360.db2.gz MKKKWCANRTYXGW-OAHLLOKOSA-N 0 0 336.616 4.897 10 0 EJAERN Oc1ccc(-c2nc(-c3ccccc3Br)cs2)cc1 ZINC000020311536 212118158 /nfs/dbraw/zinc/11/81/58/212118158.db2.gz DFDBVCKZYROUQR-UHFFFAOYSA-N 0 0 332.222 4.945 10 0 EJAERN CCN(CC)c1nc2ccccc2c(NCc2ccccc2Cl)n1 ZINC000072260559 203186180 /nfs/dbraw/zinc/18/61/80/203186180.db2.gz YBMUZPRUVZYUHJ-UHFFFAOYSA-N 0 0 340.858 4.742 10 0 EJAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2cccc(O)c2)s1 ZINC000072260842 203186370 /nfs/dbraw/zinc/18/63/70/203186370.db2.gz VCMPRFRPCANNIG-UHFFFAOYSA-N 0 0 334.404 4.511 10 0 EJAERN Cc1nn(-c2ccc(C)cc2)cc1-c1ccnc(Nc2ccccc2)n1 ZINC000072462192 203227668 /nfs/dbraw/zinc/22/76/68/203227668.db2.gz FVPGZYPNNATDTG-UHFFFAOYSA-N 0 0 341.418 4.690 10 0 EJAERN C[C@H](Nc1cccc(Br)c1)c1ccc2c(c1)OCCCO2 ZINC000019941847 212088360 /nfs/dbraw/zinc/08/83/60/212088360.db2.gz SENNFRBOFTUQQB-LBPRGKRZSA-N 0 0 348.240 4.784 10 0 EJAERN C[C@@H](Nc1ccc(Br)cc1)c1ccc2c(c1)OCCCO2 ZINC000019923211 212084857 /nfs/dbraw/zinc/08/48/57/212084857.db2.gz LVMPKLRBJZRCIV-GFCCVEGCSA-N 0 0 348.240 4.784 10 0 EJAERN COc1ccc(OC)c([C@@H](C)Nc2ccc(Br)cc2)c1 ZINC000019923155 212084593 /nfs/dbraw/zinc/08/45/93/212084593.db2.gz SLDINIBSGFAEPC-LLVKDONJSA-N 0 0 336.229 4.639 10 0 EJAERN C[C@@H](Nc1ccccc1Br)c1ccc2c(c1)OCCCO2 ZINC000019922812 212084675 /nfs/dbraw/zinc/08/46/75/212084675.db2.gz ZWTABNVTEGOXRQ-GFCCVEGCSA-N 0 0 348.240 4.784 10 0 EJAERN COc1ccc([C@H](C)Nc2ccc(Br)cc2F)cc1F ZINC000019908067 212082079 /nfs/dbraw/zinc/08/20/79/212082079.db2.gz SOYQPPPLHLVXEM-VIFPVBQESA-N 0 0 342.183 4.909 10 0 EJAERN Fc1ccc(Br)cc1CNc1cccc2ncccc21 ZINC000019906760 212081392 /nfs/dbraw/zinc/08/13/92/212081392.db2.gz CKXHKRSRKCBIBP-UHFFFAOYSA-N 0 0 331.188 4.749 10 0 EJAERN Cc1cc(Br)ccc1N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000019905619 212081441 /nfs/dbraw/zinc/08/14/41/212081441.db2.gz DMHVTJBKZAVLBM-NSHDSACASA-N 0 0 334.213 4.659 10 0 EJAERN FC(F)Sc1ccccc1Nc1ccc(Br)cn1 ZINC000103980792 204092304 /nfs/dbraw/zinc/09/23/04/204092304.db2.gz GCLVJLFOMFELRC-UHFFFAOYSA-N 0 0 331.185 4.902 10 0 EJAERN CNc1nc2c(Cl)ccc(Br)c2cc1C(C)(C)C ZINC000103920309 204089234 /nfs/dbraw/zinc/08/92/34/204089234.db2.gz IUBAZUVYBPEONA-UHFFFAOYSA-N 0 0 327.653 4.990 10 0 EJAERN CSc1ccc(OCc2ccc(F)cc2Br)cc1 ZINC000104339145 204105791 /nfs/dbraw/zinc/10/57/91/204105791.db2.gz PFKNCDGAJGXRQJ-UHFFFAOYSA-N 0 0 327.218 4.889 10 0 EJAERN CC(C)(C)NC(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000014976293 211781469 /nfs/dbraw/zinc/78/14/69/211781469.db2.gz WDPDNFIHDBYVHS-UHFFFAOYSA-N 0 0 342.826 4.600 10 0 EJAERN Cc1ccc(Cl)c(OCCNc2ccccc2Br)c1 ZINC000104001367 206482442 /nfs/dbraw/zinc/48/24/42/206482442.db2.gz LJVYBCFBFBBJOZ-UHFFFAOYSA-N 0 0 340.648 4.902 10 0 EJAERN Fc1cccc([C@@H]2CCN(Cc3ncc[nH]3)c3ccccc3S2)c1 ZINC000012241918 211327814 /nfs/dbraw/zinc/32/78/14/211327814.db2.gz IJBVUHKVGPLGNL-KRWDZBQOSA-N 0 0 339.439 4.793 10 0 EJAERN Cc1c(C(=O)OCC(C)C)sc2ncnc(Nc3ccccc3)c12 ZINC000012084708 211288174 /nfs/dbraw/zinc/28/81/74/211288174.db2.gz XCIZPCQRGUZSDK-UHFFFAOYSA-N 0 0 341.436 4.556 10 0 EJAERN COC(=O)c1ccc2c(c1)C1(CC1)C[C@H](c1cc(F)ccc1C)N2 ZINC000091692157 218049159 /nfs/dbraw/zinc/04/91/59/218049159.db2.gz HVRHHSKKAUIEAE-GOSISDBHSA-N 0 0 325.383 4.509 10 0 EJAERN O=c1cc(-c2ccc(Cl)cc2)c2cc(Br)ccc2[nH]1 ZINC000091692290 218049360 /nfs/dbraw/zinc/04/93/60/218049360.db2.gz RSEXNTQZLXNXJL-UHFFFAOYSA-N 0 0 334.600 4.611 10 0 EJAERN C[C@@H](OC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000095089342 218279376 /nfs/dbraw/zinc/27/93/76/218279376.db2.gz ZWNKMUJCMLLGJB-KGLIPLIRSA-N 0 0 325.474 4.615 10 0 EJAERN O=C(NCc1ccc(Cl)cc1)N(c1ccccc1)C1CCCC1 ZINC000095093045 218280241 /nfs/dbraw/zinc/28/02/41/218280241.db2.gz KODYMCOQBSUUHT-UHFFFAOYSA-N 0 0 328.843 4.999 10 0 EJAERN CC(C)(C)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000006692910 210681536 /nfs/dbraw/zinc/68/15/36/210681536.db2.gz KSQKLFFNYLKBSD-UHFFFAOYSA-N 0 0 341.021 4.695 10 0 EJAERN Cc1cccc(Nc2ncnc(N3CCCc4ccccc43)c2N)c1C ZINC000040755069 132406774 /nfs/dbraw/zinc/40/67/74/132406774.db2.gz CRSMGJYVXDXLBT-UHFFFAOYSA-N 0 0 345.450 4.504 10 0 EJAERN CCc1cccc(Oc2cccc(C(=O)Nc3ccc(F)cc3)n2)c1 ZINC000211681239 535908203 /nfs/dbraw/zinc/90/82/03/535908203.db2.gz ZJVYPMRUZBTRPV-UHFFFAOYSA-N 0 0 336.366 4.828 10 0 EJAERN COc1ccc([C@@H](c2ccc(O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003815428 560189730 /nfs/dbraw/zinc/18/97/30/560189730.db2.gz BUZUQNXGKRJIJT-CQSZACIVSA-N 0 0 331.626 4.903 10 0 in-vitro EJAERN Cc1ccc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)cc1 ZINC000000121911 563234814 /nfs/dbraw/zinc/23/48/14/563234814.db2.gz PMIACTUQGCOMTA-UHFFFAOYSA-N 0 0 347.462 4.790 10 0 EJAERN Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Oc1ccccc1 ZINC000000124159 563235888 /nfs/dbraw/zinc/23/58/88/563235888.db2.gz DMZCCTNXVAPXIN-UHFFFAOYSA-N 0 0 326.783 4.634 10 0 EJAERN COCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 ZINC000013437730 563373760 /nfs/dbraw/zinc/37/37/60/563373760.db2.gz AIDFFEQVXJRKCP-UHFFFAOYSA-N 0 0 331.431 4.773 10 0 in-vitro EJAERN Fc1ccc(-c2oc3nc4ccccc4nc3c2Br)cc1 ZINC000409442573 563962160 /nfs/dbraw/zinc/96/21/60/563962160.db2.gz XIMJKARBYANNIQ-UHFFFAOYSA-N 0 0 343.155 4.945 10 0 EJAERN COc1c(C2=Cc3ccc(O)cc3OC2)ccc(O)c1CC=C(C)C ZINC000014819466 564024011 /nfs/dbraw/zinc/02/40/11/564024011.db2.gz CBCNITCGKSLSCT-UHFFFAOYSA-N 0 0 338.403 4.548 10 0 biogenic EJAERN COc1cc(Cl)ccc1NC(=O)Nc1ncc(Cl)cc1Cl ZINC000048520932 564129246 /nfs/dbraw/zinc/12/92/46/564129246.db2.gz RTTXVXZRMBPUAS-UHFFFAOYSA-N 0 0 346.601 4.694 10 0 EJAERN CC1=C(C#N)[C@H](c2cc(-c3ccccc3)cs2)C2=C(CCCC2=O)N1 ZINC000048534418 564129316 /nfs/dbraw/zinc/12/93/16/564129316.db2.gz USJQQSFQQVCYPI-HXUWFJFHSA-N 0 0 346.455 4.907 10 0 EJAERN COc1ccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl ZINC000048544519 564129350 /nfs/dbraw/zinc/12/93/50/564129350.db2.gz ZOPYCWFWTVMMHO-VMPITWQZSA-N 0 0 336.218 4.962 10 0 EJAERN COc1ccc(Nc2ncc(-c3ccccc3OC)s2)c(OC)c1 ZINC000048554916 564129419 /nfs/dbraw/zinc/12/94/19/564129419.db2.gz SYGONZHIIKOEBQ-UHFFFAOYSA-N 0 0 342.420 4.580 10 0 EJAERN O/N=c1\oc2cc3c(cc2c2c1CCCC2)CCC1(CCCCC1)O3 ZINC000137517067 564129543 /nfs/dbraw/zinc/12/95/43/564129543.db2.gz MTPNKJNLYOJGGR-XDOYNYLZSA-N 0 0 339.435 4.629 10 0 EJAERN O=C(C[C@@H](CCc1ccccc1)c1c[nH]c2ccccc21)N1CCCC1 ZINC000096275375 564146224 /nfs/dbraw/zinc/14/62/24/564146224.db2.gz NZTPQLLOBGFVJC-LJQANCHMSA-N 0 0 346.474 4.897 10 0 EJAERN CC(C)CCNC(=O)Nc1c2cc(F)ccc2[nH]c1-c1cccnc1 ZINC000033130775 564176403 /nfs/dbraw/zinc/17/64/03/564176403.db2.gz VNEXAMNTHMMVFD-UHFFFAOYSA-N 0 0 340.402 4.537 10 0 EJAERN C=C/C=C/CCC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685962003 564177223 /nfs/dbraw/zinc/17/72/23/564177223.db2.gz QYBGDLNZZMTPDB-VOTSOKGWSA-N 0 0 329.440 4.515 10 0 EJAERN Fc1cccc(-c2nc(C(F)(F)F)c(Br)s2)c1 ZINC000616578464 564177354 /nfs/dbraw/zinc/17/73/54/564177354.db2.gz OJBSDQQXNMQGLP-UHFFFAOYSA-N 0 0 326.112 4.731 10 0 EJAERN COc1cc2c(cc1CC=C(C)C)[C@@H]1Oc3cc(O)ccc3[C@H]1CO2 ZINC000001653271 571680668 /nfs/dbraw/zinc/68/06/68/571680668.db2.gz FZFGGNNUYSILSL-UTKZUKDTSA-N 0 0 338.403 4.519 10 0 endogenous,in-man EJAERN COc1cc2c(cc1CC=C(C)C)[C@@H]1Oc3cc(O)ccc3[C@@H]1CO2 ZINC000001858796 571681483 /nfs/dbraw/zinc/68/14/83/571681483.db2.gz FZFGGNNUYSILSL-UWJYYQICSA-N 0 0 338.403 4.519 10 0 endogenous,in-man EJAERN