smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2I)cc1 ZINC000408770946 1069739327 /nfs/dbraw/zinc/73/93/27/1069739327.db2.gz BFBLKXXCEJMLEQ-RQZCQDPDSA-N -1 2 637.213 5.542 40 10 KKCBLM Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3c(OCc4ccc(C(=O)[O-])cc4)ccc4ccccc43)C2=O)c1 ZINC000408899591 1070158589 /nfs/dbraw/zinc/15/85/89/1070158589.db2.gz PKAJXUPFXXTYBI-WGOQTCKBSA-N -1 2 520.541 5.400 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408936646 1070277375 /nfs/dbraw/zinc/27/73/75/1070277375.db2.gz HCJFUIGTHWKLHF-VXLYETTFSA-N -1 2 630.245 5.164 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409065028 1070481140 /nfs/dbraw/zinc/48/11/40/1070481140.db2.gz KJQLOCJUAWTJFI-KEBDBYFISA-N -1 2 646.821 5.287 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408896661 1070830832 /nfs/dbraw/zinc/83/08/32/1070830832.db2.gz GZBYOIWDHCEZGY-RGVLZGJSSA-N -1 2 646.821 5.287 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408902534 1070909738 /nfs/dbraw/zinc/90/97/38/1070909738.db2.gz JGGYAGFCYJQZRD-RGVLZGJSSA-N -1 2 644.272 5.554 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408900813 1070927235 /nfs/dbraw/zinc/92/72/35/1070927235.db2.gz VILYLLRJMHNMIZ-VXLYETTFSA-N -1 2 585.794 5.055 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408899307 1070948049 /nfs/dbraw/zinc/94/80/49/1070948049.db2.gz OGNXEJZOCUMJSS-WSDLNYQXSA-N -1 2 548.979 5.299 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408937369 1071341463 /nfs/dbraw/zinc/34/14/63/1071341463.db2.gz JAEVQNWCRYHFRD-RGVLZGJSSA-N -1 2 599.821 5.445 40 10 KKCBLM O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)o2)c1 ZINC000408953267 1071396975 /nfs/dbraw/zinc/39/69/75/1071396975.db2.gz PLMSRGJKVBVCFR-WGARJPEWSA-N -1 2 536.584 5.779 40 10 KKCBLM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)c1 ZINC000408756522 1071638885 /nfs/dbraw/zinc/63/88/85/1071638885.db2.gz VXBBKZGMHYNKKE-NTEUORMPSA-N -1 2 505.697 5.271 40 10 KKCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408752092 1071666779 /nfs/dbraw/zinc/66/67/79/1071666779.db2.gz FULFFFVBHXAXAT-VXLYETTFSA-N -1 2 556.800 5.183 40 10 KKCBLM Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000408781646 1071814939 /nfs/dbraw/zinc/81/49/39/1071814939.db2.gz DNWVWPPTNLPYCL-KEBDBYFISA-N -1 2 675.273 5.614 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408786437 1071851211 /nfs/dbraw/zinc/85/12/11/1071851211.db2.gz PXPOLUQGDOZNBQ-RGVLZGJSSA-N -1 2 646.821 5.287 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2Br)cc1 ZINC000409074401 1072039890 /nfs/dbraw/zinc/03/98/90/1072039890.db2.gz QVJPUEPXOUACRF-GZTJUZNOSA-N -1 2 555.768 5.046 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000409073919 1072072298 /nfs/dbraw/zinc/07/22/98/1072072298.db2.gz OBPMPQFTKABWQU-LICLKQGHSA-N -1 2 545.762 5.590 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000409069024 1072106362 /nfs/dbraw/zinc/10/63/62/1072106362.db2.gz UGJIYJPCJCMMAF-VXLYETTFSA-N -1 2 618.209 5.294 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000409067738 1072116191 /nfs/dbraw/zinc/11/61/91/1072116191.db2.gz PPMYZBJSQFQZQT-YBFXNURJSA-N -1 2 600.219 5.155 40 10 KKCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1Cl ZINC000409333647 1072352930 /nfs/dbraw/zinc/35/29/30/1072352930.db2.gz IECHXHHWXRBWNQ-LSCVHKIXSA-N -1 2 695.691 5.959 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409385209 1072695265 /nfs/dbraw/zinc/69/52/65/1072695265.db2.gz IKOFTKYBZPQABM-YBFXNURJSA-N -1 2 523.998 5.052 40 10 KKCBLM Cc1cc(C)c(N=NC2=CC(=[NH+]Nc3c(C)cc(C)cc3S(=O)(=O)[O-])c3ccccc3C2=O)c(S(=O)(=O)[O-])c1 ZINC000004887218 552488526 /nfs/dbraw/zinc/48/85/26/552488526.db2.gz FKLXKNMPDFTFPS-QAVVBOBSSA-N -1 2 568.633 7.103 40 10 KKCBLM COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000033321544 553920695 /nfs/dbraw/zinc/92/06/95/553920695.db2.gz UITOUUIWBNVTFF-NDENLUEZSA-N -1 2 506.898 5.133 40 10 KKCBLM O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)o2)c1 ZINC000033355545 553935293 /nfs/dbraw/zinc/93/52/93/553935293.db2.gz LPJPBFZCANORLI-MXAYSNPKSA-N -1 2 571.029 7.273 40 10 KKCBLM O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(/C=C2/C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000100391350 554367067 /nfs/dbraw/zinc/36/70/67/554367067.db2.gz TYVSQOXGZQJWMM-XFQWXJFMSA-N -1 2 588.234 5.223 40 10 KKCBLM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(/C=C2/C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000100391350 554367070 /nfs/dbraw/zinc/36/70/70/554367070.db2.gz TYVSQOXGZQJWMM-XFQWXJFMSA-N -1 2 588.234 5.223 40 10 KKCBLM CC(Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000103921166 571369722 /nfs/dbraw/zinc/36/97/22/571369722.db2.gz CWOLXMDPPCAAPR-PLRJNAJWSA-N -1 2 584.683 5.839 40 10 KKCBLM CCCc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000113473894 571438821 /nfs/dbraw/zinc/43/88/21/571438821.db2.gz XWVBXJSVOPPWQV-QJOMJCCJSA-N -1 2 511.579 5.120 40 10 KKCBLM CCCC1=NN(c2ccc(F)cc2)C(=O)C1C(C)=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000113473894 571438822 /nfs/dbraw/zinc/43/88/22/571438822.db2.gz XWVBXJSVOPPWQV-QJOMJCCJSA-N -1 2 511.579 5.120 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000164459918 571548159 /nfs/dbraw/zinc/54/81/59/571548159.db2.gz QDXDHLKMNJYJFE-VXLYETTFSA-N -1 2 630.245 5.164 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408933878 1070267448 /nfs/dbraw/zinc/26/74/48/1070267448.db2.gz BWUWEFHTXJVKQD-ZVHZXABRSA-N -1 2 662.436 5.787 40 10 KKCBLM Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000408937328 1070290968 /nfs/dbraw/zinc/29/09/68/1070290968.db2.gz IUSQBVMCYLDSAG-PCLIKHOPSA-N -1 2 506.514 5.092 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408937687 1070292087 /nfs/dbraw/zinc/29/20/87/1070292087.db2.gz JLOJVKYFQBRXPD-QGMBQPNBSA-N -1 2 620.239 5.708 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408943899 1070305443 /nfs/dbraw/zinc/30/54/43/1070305443.db2.gz SRDXFCOFVPZPPZ-VXLYETTFSA-N -1 2 677.245 5.006 40 10 KKCBLM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2I)cc1 ZINC000408988130 1070351597 /nfs/dbraw/zinc/35/15/97/1070351597.db2.gz CSALOPSRSWAOOA-GIJQJNRQSA-N -1 2 728.664 5.493 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408902375 1070913377 /nfs/dbraw/zinc/91/33/77/1070913377.db2.gz IAFDWCGXPWVZRB-VXLYETTFSA-N -1 2 630.245 5.164 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408901729 1070917244 /nfs/dbraw/zinc/91/72/44/1070917244.db2.gz BDSCDIVAYSFJBJ-VXLYETTFSA-N -1 2 585.794 5.055 40 10 KKCBLM COc1ccc(-c2[nH]n(-c3ccccc3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1 ZINC000103922587 1070935016 /nfs/dbraw/zinc/93/50/16/1070935016.db2.gz LFVCXCMQQNXQPZ-QOMWVZHYSA-N -1 2 557.632 5.238 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408937225 1071203195 /nfs/dbraw/zinc/20/31/95/1071203195.db2.gz IMJBBABTNDDZON-RGVLZGJSSA-N -1 2 555.370 5.336 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408944183 1071287175 /nfs/dbraw/zinc/28/71/75/1071287175.db2.gz TYDSFCLXIJGSFF-VXLYETTFSA-N -1 2 585.794 5.055 40 10 KKCBLM O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000408947573 1071370293 /nfs/dbraw/zinc/37/02/93/1071370293.db2.gz CMFZDTOFFDAEHD-ZVBGSRNCSA-N -1 2 521.957 5.088 40 10 KKCBLM O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(Br)c1[O-] ZINC000408956760 1071375219 /nfs/dbraw/zinc/37/52/19/1071375219.db2.gz YIEJWJMCCQYLLQ-ZVBGSRNCSA-N -1 2 566.408 5.197 40 10 KKCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000408985968 1071495484 /nfs/dbraw/zinc/49/54/84/1071495484.db2.gz YYGYJFBWEPRCFK-JAIQZWGSSA-N -1 2 583.822 5.609 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408768874 1071797699 /nfs/dbraw/zinc/79/76/99/1071797699.db2.gz KRWFHJHGQOTRDO-RGVLZGJSSA-N -1 2 599.821 5.445 40 10 KKCBLM Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)c1 ZINC000408781233 1071818858 /nfs/dbraw/zinc/81/88/58/1071818858.db2.gz AVUHKAOOPHUJOD-KEBDBYFISA-N -1 2 628.273 5.772 40 10 KKCBLM Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)c1 ZINC000408788233 1071898901 /nfs/dbraw/zinc/89/89/01/1071898901.db2.gz COWQOJXHTBZHBT-CIAFOILYSA-N -1 2 549.377 5.010 40 10 KKCBLM Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O ZINC000409074676 1072066098 /nfs/dbraw/zinc/06/60/98/1072066098.db2.gz UOGCNLDGLXYWCV-RQZCQDPDSA-N -1 2 648.691 6.117 40 10 KKCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1C ZINC000409073684 1072072692 /nfs/dbraw/zinc/07/26/92/1072072692.db2.gz RCJNPJUGFUGQHD-SRZZPIQSSA-N -1 2 539.371 5.554 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409073728 1072073406 /nfs/dbraw/zinc/07/34/06/1072073406.db2.gz XEJAGPOHRUXYDF-VCHYOVAHSA-N -1 2 590.213 5.700 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409070394 1072096062 /nfs/dbraw/zinc/09/60/62/1072096062.db2.gz ZCXOZOQBDNWURV-VXLYETTFSA-N -1 2 545.762 5.590 40 10 KKCBLM Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409069283 1072103633 /nfs/dbraw/zinc/10/36/33/1072103633.db2.gz WWZWHJLPLFAPFO-WOJGMQOQSA-N -1 2 525.344 5.245 40 10 KKCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1Cl ZINC000409331358 1072369584 /nfs/dbraw/zinc/36/95/84/1072369584.db2.gz BQZFTHJRAAMFHP-GRSHGNNSSA-N -1 2 616.795 5.197 40 10 KKCBLM C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)ccc21 ZINC000409192452 1072825463 /nfs/dbraw/zinc/82/54/63/1072825463.db2.gz XNWWNVCKXGFWLS-IIDYXAJLSA-N -1 2 537.616 5.421 40 10 KKCBLM O=S(=O)([N-]c1nc(-c2ccccc2)cs1)c1ccc2oc3ccc(S(=O)(=O)Nc4nc(-c5ccccc5)cs4)cc3c2c1 ZINC000409222957 1072990732 /nfs/dbraw/zinc/99/07/32/1072990732.db2.gz FSMFHGUWLMHBGI-UHFFFAOYSA-N -1 2 644.781 7.435 40 10 KKCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000409229000 1073022761 /nfs/dbraw/zinc/02/27/61/1073022761.db2.gz IHUPZUWEWBMLKL-VCHYOVAHSA-N -1 2 512.349 5.074 40 10 KKCBLM CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000059135280 554381262 /nfs/dbraw/zinc/38/12/62/554381262.db2.gz SZUIBWKNBYQIKC-FYJGNVAPSA-N -1 2 504.470 5.008 40 10 KKCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000059198173 554384374 /nfs/dbraw/zinc/38/43/74/554384374.db2.gz VODOPTMYCMVYMI-UDWIEESQSA-N -1 2 508.328 5.062 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000103844620 571362917 /nfs/dbraw/zinc/36/29/17/571362917.db2.gz DSPKFBBUAPPMPN-WKULSOCRSA-N -1 2 563.654 5.927 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000103870204 571368245 /nfs/dbraw/zinc/36/82/45/571368245.db2.gz LIUJCMDNYYUBOX-CXUHLZMHSA-N -1 2 532.767 5.419 40 10 KKCBLM Cc1cc(C)c(N=NC2=CC(=[NH+]Nc3c(C)cc(C)cc3S(=O)(=O)[O-])c3ccccc3C2=O)c(S(=O)(=O)[O-])c1 ZINC000104045399 571371743 /nfs/dbraw/zinc/37/17/43/571371743.db2.gz FKLXKNMPDFTFPS-JOKXDOCYSA-N -1 2 568.633 7.103 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408944774 1070298040 /nfs/dbraw/zinc/29/80/40/1070298040.db2.gz VBXJZDWAHCFRCP-WSDLNYQXSA-N -1 2 548.979 5.299 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc43)C2=O)cc1 ZINC000408943986 1070296263 /nfs/dbraw/zinc/29/62/63/1070296263.db2.gz SZFNDOUADRPKSS-OEAKJJBVSA-N -1 2 561.377 6.090 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000408943372 1070304628 /nfs/dbraw/zinc/30/46/28/1070304628.db2.gz SCKIQLLDBLMLQO-BUVRLJJBSA-N -1 2 571.383 5.546 40 10 KKCBLM O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408947874 1070312692 /nfs/dbraw/zinc/31/26/92/1070312692.db2.gz DIWKSECEVIMZLQ-MUFRIFMGSA-N -1 2 576.649 6.098 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409064905 1070481107 /nfs/dbraw/zinc/48/11/07/1070481107.db2.gz IYWONMPCPLRBER-DJKKODMXSA-N -1 2 585.794 5.055 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000409065880 1070482544 /nfs/dbraw/zinc/48/25/44/1070482544.db2.gz VAPONEJITNXLKY-UDWIEESQSA-N -1 2 555.768 5.046 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408900739 1070930205 /nfs/dbraw/zinc/93/02/05/1070930205.db2.gz UITZLTSZSKBPER-RGVLZGJSSA-N -1 2 599.821 5.445 40 10 KKCBLM O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2Cl)c1 ZINC000408946795 1071265189 /nfs/dbraw/zinc/26/51/89/1071265189.db2.gz BCHGRJHRNHGXJZ-CCVNUDIWSA-N -1 2 611.094 6.751 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(Cl)c3)C2=O)cc1 ZINC000408943998 1071288207 /nfs/dbraw/zinc/28/82/07/1071288207.db2.gz TWHDWOCUSRIDCU-OEAKJJBVSA-N -1 2 526.932 5.437 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000408941234 1071309013 /nfs/dbraw/zinc/30/90/13/1071309013.db2.gz OZGYWBNNWPRIND-UDWIEESQSA-N -1 2 555.768 5.046 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4Cl)ccc4ccccc43)C2=O)cc1 ZINC000408941921 1071304742 /nfs/dbraw/zinc/30/47/42/1071304742.db2.gz QDBGGRGCWLJQHQ-HZHRSRAPSA-N -1 2 526.932 5.437 40 10 KKCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1Cl ZINC000408985697 1071497639 /nfs/dbraw/zinc/49/76/39/1071497639.db2.gz XTWYPOLPFPICQJ-LSCVHKIXSA-N -1 2 742.691 5.801 40 10 KKCBLM COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408982056 1071529992 /nfs/dbraw/zinc/52/99/92/1071529992.db2.gz FKKNAIBBQVTEJN-OCKHKDLRSA-N -1 2 599.821 5.363 40 10 KKCBLM O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(Br)cc(Br)c1O ZINC000408722536 1071532790 /nfs/dbraw/zinc/53/27/90/1071532790.db2.gz JWKGOBHVRGQYHA-ONNFQVAWSA-N -1 2 551.043 5.055 40 10 KKCBLM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2I)cc1 ZINC000408994993 1071554646 /nfs/dbraw/zinc/55/46/46/1071554646.db2.gz KIBLFEKHOCHGLN-QGMBQPNBSA-N -1 2 728.664 5.493 40 10 KKCBLM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)cc2I)cc1 ZINC000409002898 1071639236 /nfs/dbraw/zinc/63/92/36/1071639236.db2.gz XFHKJVZONODGTL-OVCLIPMQSA-N -1 2 763.109 6.146 40 10 KKCBLM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)o2)c1 ZINC000408753207 1071659168 /nfs/dbraw/zinc/65/91/68/1071659168.db2.gz FENXRTSKHLOVJE-NTEUORMPSA-N -1 2 505.697 5.271 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408771045 1071782781 /nfs/dbraw/zinc/78/27/81/1071782781.db2.gz DXMHMOLBUIKAIE-WSDLNYQXSA-N -1 2 593.430 5.408 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408785001 1071860602 /nfs/dbraw/zinc/86/06/02/1071860602.db2.gz FCLPZEXOPXUJPE-SRZZPIQSSA-N -1 2 579.403 5.018 40 10 KKCBLM O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2)c1 ZINC000408783653 1071868907 /nfs/dbraw/zinc/86/89/07/1071868907.db2.gz PPUDULQSPUHMRS-OKCVXOCRSA-N -1 2 576.649 6.098 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2Br)cc1 ZINC000409064471 1072014078 /nfs/dbraw/zinc/01/40/78/1072014078.db2.gz HGJXBVMBSXMKJA-CXUHLZMHSA-N -1 2 634.664 5.809 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409064388 1072016199 /nfs/dbraw/zinc/01/61/99/1072016199.db2.gz CSGXPEMXXKKYJV-RGVLZGJSSA-N -1 2 555.768 5.046 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409074404 1072039949 /nfs/dbraw/zinc/03/99/49/1072039949.db2.gz QWLAAZUQTGNLJC-WOJGMQOQSA-N -1 2 646.821 5.287 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)cc1 ZINC000409075026 1072063902 /nfs/dbraw/zinc/06/39/02/1072063902.db2.gz WWIJLJMLDCKXOM-GIJQJNRQSA-N -1 2 645.216 5.063 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)cc1 ZINC000409074241 1072068234 /nfs/dbraw/zinc/06/82/34/1072068234.db2.gz PMKJZPLSWZWDRK-VXLYETTFSA-N -1 2 555.768 5.046 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)cc1 ZINC000409071577 1072089008 /nfs/dbraw/zinc/08/90/08/1072089008.db2.gz HIAQGJZCJXWOMU-WGOQTCKBSA-N -1 2 627.447 5.972 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409068037 1072114487 /nfs/dbraw/zinc/11/44/87/1072114487.db2.gz HCSZTWLEFPPHDX-GIJQJNRQSA-N -1 2 634.266 6.098 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409068489 1072111715 /nfs/dbraw/zinc/11/17/15/1072111715.db2.gz ASYQRYHQWHQZRS-JVWAILMASA-N -1 2 627.049 6.261 40 10 KKCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1Cl ZINC000409067477 1072117898 /nfs/dbraw/zinc/11/78/98/1072117898.db2.gz QYPJJJUFBLKABD-VXLYETTFSA-N -1 2 525.344 5.245 40 10 KKCBLM COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187853 1072884803 /nfs/dbraw/zinc/88/48/03/1072884803.db2.gz VBWOXDBCWLCCKJ-MUFRIFMGSA-N -1 2 606.675 6.107 40 10 KKCBLM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc21 ZINC000005125268 552494156 /nfs/dbraw/zinc/49/41/56/552494156.db2.gz BCMXMLPZPYKPMA-UHFFFAOYSA-N -1 2 502.089 5.993 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103858759 571366728 /nfs/dbraw/zinc/36/67/28/571366728.db2.gz PPSJYTUYVHHIHX-VXLYETTFSA-N -1 2 585.794 5.055 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103859264 571367033 /nfs/dbraw/zinc/36/70/33/571367033.db2.gz SQGHBTGNYYERQZ-RGVLZGJSSA-N -1 2 599.821 5.445 40 10 KKCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000150391833 571474058 /nfs/dbraw/zinc/47/40/58/571474058.db2.gz MTKXNGKQRVBPLB-JAIQZWGSSA-N -1 2 628.273 5.718 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2I)cc1 ZINC000164451219 571547972 /nfs/dbraw/zinc/54/79/72/571547972.db2.gz CGOKIIQORCOLSE-GIJQJNRQSA-N -1 2 726.115 5.760 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408768118 1069872687 /nfs/dbraw/zinc/87/26/87/1069872687.db2.gz BXLDFBOLPMAKEF-WSDLNYQXSA-N -1 2 593.430 5.408 40 10 KKCBLM O=C([O-])COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408776437 1069881778 /nfs/dbraw/zinc/88/17/78/1069881778.db2.gz OUELFPFTEMIZQX-ODCIPOBUSA-N -1 2 752.343 5.493 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408772461 1069884646 /nfs/dbraw/zinc/88/46/46/1069884646.db2.gz PLQFBBUXZCRKIZ-SRZZPIQSSA-N -1 2 579.403 5.018 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408782111 1069906182 /nfs/dbraw/zinc/90/61/82/1069906182.db2.gz VSVNRUOJFOTJTJ-VXLYETTFSA-N -1 2 585.794 5.055 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408858341 1070068872 /nfs/dbraw/zinc/06/88/72/1070068872.db2.gz OTFKSCLLQJPZEI-LSFURLLWSA-N -1 2 609.473 5.055 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408853786 1070071263 /nfs/dbraw/zinc/07/12/63/1070071263.db2.gz SBBBSXOEPBEWCE-WSDLNYQXSA-N -1 2 640.430 5.250 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000408937785 1070292978 /nfs/dbraw/zinc/29/29/78/1070292978.db2.gz JURIECCMZDUPIY-BUVRLJJBSA-N -1 2 526.932 5.437 40 10 KKCBLM Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O ZINC000408992147 1070359462 /nfs/dbraw/zinc/35/94/62/1070359462.db2.gz QPQFZQDJRJPHPP-VCHYOVAHSA-N -1 2 708.246 5.148 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409067475 1070484011 /nfs/dbraw/zinc/48/40/11/1070484011.db2.gz DWSLISVNYWSOBG-KEBDBYFISA-N -1 2 555.370 5.336 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)C2=O)cc1 ZINC000408938224 1071333357 /nfs/dbraw/zinc/33/33/57/1071333357.db2.gz KNCNSSJCSOZHCU-GIJQJNRQSA-N -1 2 590.213 5.700 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000408948913 1071363472 /nfs/dbraw/zinc/36/34/72/1071363472.db2.gz HJTPKHMHNOZGQM-LSFURLLWSA-N -1 2 609.473 5.055 40 10 KKCBLM Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)ccc1Br ZINC000408753705 1071656456 /nfs/dbraw/zinc/65/64/56/1071656456.db2.gz HGRJRKSIMPUWOL-GIJQJNRQSA-N -1 2 693.142 6.226 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408753039 1071660301 /nfs/dbraw/zinc/66/03/01/1071660301.db2.gz HAWKGXBKZBVOKD-RGVLZGJSSA-N -1 2 658.299 5.862 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408767027 1071717271 /nfs/dbraw/zinc/71/72/71/1071717271.db2.gz YMBCMICGPRACPW-VXLYETTFSA-N -1 2 691.272 5.314 40 10 KKCBLM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)o2)c1 ZINC000408763883 1071730545 /nfs/dbraw/zinc/73/05/45/1071730545.db2.gz LBLLEGZMHNYRSG-UKTHLTGXSA-N -1 2 505.697 5.271 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408778372 1071838389 /nfs/dbraw/zinc/83/83/89/1071838389.db2.gz SIUBFXCAVVRHDO-WSDLNYQXSA-N -1 2 640.430 5.250 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409076092 1072055317 /nfs/dbraw/zinc/05/53/17/1072055317.db2.gz XRXDXZIEVPYBFS-WPWMEQJKSA-N -1 2 578.577 5.218 40 10 KKCBLM Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409075837 1072055730 /nfs/dbraw/zinc/05/57/30/1072055730.db2.gz YLFRRIUIXHAATB-RGVLZGJSSA-N -1 2 569.795 5.355 40 10 KKCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1Cl ZINC000409070426 1072096225 /nfs/dbraw/zinc/09/62/25/1072096225.db2.gz GFVPANPWZFIGPL-DJKKODMXSA-N -1 2 559.789 5.899 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000409069118 1072107372 /nfs/dbraw/zinc/10/73/72/1072107372.db2.gz WHTHEFCPVMEHEA-VXLYETTFSA-N -1 2 529.307 5.076 40 10 KKCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409077521 1072154789 /nfs/dbraw/zinc/15/47/89/1072154789.db2.gz FVHWAGDDPFYHBT-CIAFOILYSA-N -1 2 644.272 5.554 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000409098402 1072332213 /nfs/dbraw/zinc/33/22/13/1072332213.db2.gz LHOWEOHTHFDHNI-GZTJUZNOSA-N -1 2 512.349 5.074 40 10 KKCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000409334960 1072343173 /nfs/dbraw/zinc/34/31/73/1072343173.db2.gz JHIMLHGMNIUCDY-OCKHKDLRSA-N -1 2 512.349 5.074 40 10 KKCBLM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2I)cc1 ZINC000409336941 1072405808 /nfs/dbraw/zinc/40/58/08/1072405808.db2.gz REDUEKNUWZEFPP-KKMKTNMSSA-N -1 2 828.441 7.307 40 10 KKCBLM O=C([O-])c1cccc(-n2cccc2/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1 ZINC000100324236 554308218 /nfs/dbraw/zinc/30/82/18/554308218.db2.gz ARIVNNYAXVWKMH-DICXZTSXSA-N -1 2 535.600 5.310 40 10 KKCBLM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=Nc1ccccc1N=C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccccc1)c1ccccc1 ZINC000100975693 554546815 /nfs/dbraw/zinc/54/68/15/554546815.db2.gz ALISLIUSGOASRW-JXPYRENWSA-N -1 2 628.736 8.178 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000103859687 571367189 /nfs/dbraw/zinc/36/71/89/571367189.db2.gz IJAIBERHEHANDM-UDWIEESQSA-N -1 2 600.219 5.155 40 10 KKCBLM CC(Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000103921172 571369738 /nfs/dbraw/zinc/36/97/38/571369738.db2.gz ILCZMYLKEKABBI-PLRJNAJWSA-N -1 2 572.603 5.137 40 10 KKCBLM CC(=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[nH]c1-c1ccccc1 ZINC000103921172 571369739 /nfs/dbraw/zinc/36/97/39/571369739.db2.gz ILCZMYLKEKABBI-PLRJNAJWSA-N -1 2 572.603 5.137 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408894439 1070143638 /nfs/dbraw/zinc/14/36/38/1070143638.db2.gz CMQNVZUCVUFUSS-SRZZPIQSSA-N -1 2 579.403 5.018 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408894471 1070143683 /nfs/dbraw/zinc/14/36/83/1070143683.db2.gz CPGZBGZYPSNUSI-VXLYETTFSA-N -1 2 585.794 5.055 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408914557 1070213722 /nfs/dbraw/zinc/21/37/22/1070213722.db2.gz YKTWGNNRKLCIEE-VCHYOVAHSA-N -1 2 512.349 5.074 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408948792 1070313800 /nfs/dbraw/zinc/31/38/00/1070313800.db2.gz GWOHUSSQMZVILG-XODNFHPESA-N -1 2 641.120 6.760 40 10 KKCBLM O=C([O-])c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c3ccccc32)c1 ZINC000408956043 1070323183 /nfs/dbraw/zinc/32/31/83/1070323183.db2.gz VTAXFWCSBQUTET-WCMJOSRZSA-N -1 2 599.687 6.522 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409067510 1070484113 /nfs/dbraw/zinc/48/41/13/1070484113.db2.gz RAYGSVKXMRANRM-CAOOACKPSA-N -1 2 669.109 6.462 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000409075795 1070489274 /nfs/dbraw/zinc/48/92/74/1070489274.db2.gz YCDBROLFCFEDQI-VXLYETTFSA-N -1 2 679.115 5.918 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409385231 1070902607 /nfs/dbraw/zinc/90/26/07/1070902607.db2.gz IPWPDQFYWDXVJC-LICLKQGHSA-N -1 2 558.443 5.706 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408937100 1071204755 /nfs/dbraw/zinc/20/47/55/1071204755.db2.gz HWLPNYRKODKGBF-YDZHTSKRSA-N -1 2 648.409 5.397 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(Br)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408935301 1071224740 /nfs/dbraw/zinc/22/47/40/1071224740.db2.gz CPCOTJHEFOFBLN-BUVRLJJBSA-N -1 2 571.383 5.546 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408934922 1071230465 /nfs/dbraw/zinc/23/04/65/1071230465.db2.gz BQWTZUORNDHKKW-VXLYETTFSA-N -1 2 545.762 5.590 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(Br)c3)C2=O)cc1 ZINC000408943930 1071260584 /nfs/dbraw/zinc/26/05/84/1071260584.db2.gz SSSNUNXGEQLFBU-YBFXNURJSA-N -1 2 600.219 5.155 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408938430 1071332674 /nfs/dbraw/zinc/33/26/74/1071332674.db2.gz QLXWEHNYFWKXGZ-RGVLZGJSSA-N -1 2 691.272 5.396 40 10 KKCBLM O=C([O-])c1cc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)o2)ccc1Cl ZINC000408952395 1071345910 /nfs/dbraw/zinc/34/59/10/1071345910.db2.gz NOZUMHMALKOWAF-MXAYSNPKSA-N -1 2 571.029 6.432 40 10 KKCBLM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)o1 ZINC000408947930 1071369243 /nfs/dbraw/zinc/36/92/43/1071369243.db2.gz DSHGRXGCYAGNNK-MZJWZYIUSA-N -1 2 550.611 6.087 40 10 KKCBLM O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c([O-])c(Br)c1 ZINC000408956376 1071379432 /nfs/dbraw/zinc/37/94/32/1071379432.db2.gz WIXFHPHMFCXCKG-DNTJNYDQSA-N -1 2 555.856 5.942 40 10 KKCBLM COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408985156 1071503960 /nfs/dbraw/zinc/50/39/60/1071503960.db2.gz VWYBFMQYJUNIGA-OCKHKDLRSA-N -1 2 555.370 5.254 40 10 KKCBLM CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408984402 1071510193 /nfs/dbraw/zinc/51/01/93/1071510193.db2.gz QMXNONGZGYSHPS-XKZIYDEJSA-N -1 2 640.430 5.196 40 10 KKCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1C ZINC000408999681 1071653640 /nfs/dbraw/zinc/65/36/40/1071653640.db2.gz RYKNMHTWPUYMPE-KEBDBYFISA-N -1 2 722.273 5.456 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408767029 1071717362 /nfs/dbraw/zinc/71/73/62/1071717362.db2.gz UYYSHCDHWMKJNV-VXLYETTFSA-N -1 2 644.272 5.472 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2I)cc1 ZINC000408781763 1071815719 /nfs/dbraw/zinc/81/57/19/1071815719.db2.gz FPUOSXVOOOJMLD-CCVNUDIWSA-N -1 2 702.545 6.703 40 10 KKCBLM O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)o2)cc1Cl ZINC000408779061 1071832065 /nfs/dbraw/zinc/83/20/65/1071832065.db2.gz QBRPTJXIUCDUDC-NTEUORMPSA-N -1 2 505.697 5.271 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409066771 1072001656 /nfs/dbraw/zinc/00/16/56/1072001656.db2.gz CMNFVWJCJVBREU-GIJQJNRQSA-N -1 2 681.266 5.940 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409063382 1072021640 /nfs/dbraw/zinc/02/16/40/1072021640.db2.gz BAECYDOXDXOILF-DJKKODMXSA-N -1 2 634.664 5.809 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409074764 1072066934 /nfs/dbraw/zinc/06/69/34/1072066934.db2.gz RIIZWPTUWUZRAE-VCHYOVAHSA-N -1 2 545.762 5.590 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409073923 1072072081 /nfs/dbraw/zinc/07/20/81/1072072081.db2.gz OCAQPPSSESIGEQ-WOJGMQOQSA-N -1 2 599.821 5.445 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409072241 1072084013 /nfs/dbraw/zinc/08/40/13/1072084013.db2.gz UPABQLCJNFPYLR-YBFXNURJSA-N -1 2 660.848 5.595 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409069416 1072102130 /nfs/dbraw/zinc/10/21/30/1072102130.db2.gz CVLIUSAWBSPHQA-WPWMEQJKSA-N -1 2 582.996 5.863 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409069546 1072103666 /nfs/dbraw/zinc/10/36/66/1072103666.db2.gz LLFMBZATTUVLBS-WOJGMQOQSA-N -1 2 555.370 5.336 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409068496 1072111785 /nfs/dbraw/zinc/11/17/85/1072111785.db2.gz GOXQHNVMIXOPJV-DJKKODMXSA-N -1 2 599.821 5.363 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409068716 1072108736 /nfs/dbraw/zinc/10/87/36/1072108736.db2.gz UWHPIFXSNPRJOV-KEBDBYFISA-N -1 2 660.848 5.595 40 10 KKCBLM NC1=CC=C2C(=O)C=C(S(=O)(=O)[O-])C=C2C1=[NH+]Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000004707587 552472287 /nfs/dbraw/zinc/47/22/87/552472287.db2.gz FAVWUHVDBDLERC-JQRDNDPDSA-N -1 2 527.540 5.452 40 10 KKCBLM CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccccc4C(=O)[O-])c3C)C2=O)c1 ZINC000059104363 554379664 /nfs/dbraw/zinc/37/96/64/554379664.db2.gz YYPSIBVHXGYAKR-KGENOOAVSA-N -1 2 517.538 5.096 40 10 KKCBLM O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000103843721 571362825 /nfs/dbraw/zinc/36/28/25/571362825.db2.gz HKTVKXPUBHPNCS-DNTJNYDQSA-N -1 2 600.307 6.051 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000103866571 571368077 /nfs/dbraw/zinc/36/80/77/571368077.db2.gz SCKXFEWXIVUTPV-CAOOACKPSA-N -1 2 532.767 5.419 40 10 KKCBLM O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)SC1=S)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000150470012 571509073 /nfs/dbraw/zinc/50/90/73/571509073.db2.gz PBBYLWFWSHSCKT-OCEACIFDSA-N -1 2 762.870 5.544 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2I)cc1 ZINC000164374817 571546549 /nfs/dbraw/zinc/54/65/49/571546549.db2.gz DICNLPJIQNCEMD-GIJQJNRQSA-N -1 2 665.209 5.136 40 10 KKCBLM O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)c1 ZINC000408902026 1070171602 /nfs/dbraw/zinc/17/16/02/1070171602.db2.gz DSLJCSMWJDOOLV-YBFXNURJSA-N -1 2 600.219 5.155 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000408934461 1070269697 /nfs/dbraw/zinc/26/96/97/1070269697.db2.gz AWUCFAIVGSOUQY-UDWIEESQSA-N -1 2 555.768 5.046 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408934167 1070268565 /nfs/dbraw/zinc/26/85/65/1070268565.db2.gz CRWWTCZLZFFPSN-RGVLZGJSSA-N -1 2 646.821 5.287 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408900764 1070930046 /nfs/dbraw/zinc/93/00/46/1070930046.db2.gz URDHTKAUFWOGHO-WSDLNYQXSA-N -1 2 593.430 5.408 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408911977 1071058292 /nfs/dbraw/zinc/05/82/92/1071058292.db2.gz PFLMSKHVAXJLHA-VCHYOVAHSA-N -1 2 512.349 5.074 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408936014 1071215966 /nfs/dbraw/zinc/21/59/66/1071215966.db2.gz FLWGSEJEDXEYFX-QGMBQPNBSA-N -1 2 667.239 5.550 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408944801 1071283704 /nfs/dbraw/zinc/28/37/04/1071283704.db2.gz VIHINPFTQVDWGL-WSDLNYQXSA-N -1 2 593.430 5.408 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408952530 1071345197 /nfs/dbraw/zinc/34/51/97/1071345197.db2.gz OFBODNYSQJNFCH-IPPBACCNSA-N -1 2 746.598 7.101 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000408951910 1071348225 /nfs/dbraw/zinc/34/82/25/1071348225.db2.gz MVYFMPPXWVAFCO-AUEPDCJTSA-N -1 2 623.500 5.445 40 10 KKCBLM O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(I)c1[O-] ZINC000408947392 1071371153 /nfs/dbraw/zinc/37/11/53/1071371153.db2.gz CIKNJHCJVITKRN-ZVBGSRNCSA-N -1 2 613.408 5.039 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408955386 1071383411 /nfs/dbraw/zinc/38/34/11/1071383411.db2.gz UIJDSDRHIPTSOF-AUEPDCJTSA-N -1 2 623.500 5.445 40 10 KKCBLM O=C(Nc1ccc2nc(Sc3ccc(/C=C4/C(=O)[N-]C(=O)NC4=O)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 ZINC000408989573 1071595311 /nfs/dbraw/zinc/59/53/11/1071595311.db2.gz IILWXZWXWKFJLJ-UHFFFAOYSA-N -1 2 580.003 5.011 40 10 KKCBLM O=C(Nc1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=O)NC4=O)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 ZINC000408989573 1071595315 /nfs/dbraw/zinc/59/53/15/1071595315.db2.gz IILWXZWXWKFJLJ-UHFFFAOYSA-N -1 2 580.003 5.011 40 10 KKCBLM CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O ZINC000409003272 1071638074 /nfs/dbraw/zinc/63/80/74/1071638074.db2.gz ZBJZFVJAALKYLB-YBFXNURJSA-N -1 2 722.273 5.402 40 10 KKCBLM Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)ccc1Br ZINC000408759840 1071699831 /nfs/dbraw/zinc/69/98/31/1071699831.db2.gz MRDCCPINXQIHJC-YBEGLDIGSA-N -1 2 529.730 5.036 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408771688 1071779484 /nfs/dbraw/zinc/77/94/84/1071779484.db2.gz AQTICNJUDNUTNY-RGVLZGJSSA-N -1 2 599.821 5.445 40 10 KKCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000408771743 1071777920 /nfs/dbraw/zinc/77/79/20/1071777920.db2.gz CFDMOBWAGFPNFF-VXLYETTFSA-N -1 2 661.246 5.306 40 10 KKCBLM O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1Cl ZINC000408783784 1071868061 /nfs/dbraw/zinc/86/80/61/1071868061.db2.gz RECFJFBFTXCITJ-UKTHLTGXSA-N -1 2 505.697 5.271 40 10 KKCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1 ZINC000409064086 1072017507 /nfs/dbraw/zinc/01/75/07/1072017507.db2.gz BOSAQGLOECNEPR-LPYMAVHISA-N -1 2 609.429 5.190 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409075845 1072055761 /nfs/dbraw/zinc/05/57/61/1072055761.db2.gz USGDFSKKMLFITO-KEBDBYFISA-N -1 2 599.821 5.445 40 10 KKCBLM Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409069555 1072103675 /nfs/dbraw/zinc/10/36/75/1072103675.db2.gz LMSBOKWFEUHCHV-VXLYETTFSA-N -1 2 525.344 5.245 40 10 KKCBLM Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409068433 1072111265 /nfs/dbraw/zinc/11/12/65/1072111265.db2.gz ANRYAPLIWQWWOS-VCHYOVAHSA-N -1 2 648.691 6.117 40 10 KKCBLM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C5C6CC7CC(C6)CC5C7)cc4)C3=O)o2)c1 ZINC000100218231 554251225 /nfs/dbraw/zinc/25/12/25/554251225.db2.gz XWWAAYSNVCLOJM-MYYYXRDXSA-N -1 2 571.029 6.504 40 10 KKCBLM CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000059103765 554379037 /nfs/dbraw/zinc/37/90/37/554379037.db2.gz LZVQHVCNDGSHKF-WQRHYEAKSA-N -1 2 569.364 5.533 40 10 KKCBLM CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000059103769 554379110 /nfs/dbraw/zinc/37/91/10/554379110.db2.gz ZBFMTCJAUBTUTJ-ZDLGFXPLSA-N -1 2 555.337 5.225 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000103871084 571368260 /nfs/dbraw/zinc/36/82/60/571368260.db2.gz VDWWVIXBIBDWPY-XODNFHPESA-N -1 2 598.099 6.580 40 10 KKCBLM NC1=CC=C2C(=O)C=C(S(=O)(=O)[O-])C=C2C1=[NH+]Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104388992 571379859 /nfs/dbraw/zinc/37/98/59/571379859.db2.gz FAVWUHVDBDLERC-DYORGOFNSA-N -1 2 527.540 5.452 40 10 KKCBLM O=C([O-])COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000164340394 571546132 /nfs/dbraw/zinc/54/61/32/571546132.db2.gz TWIGSXCUXDGPRQ-ODCIPOBUSA-N -1 2 705.343 5.651 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000164471092 571548728 /nfs/dbraw/zinc/54/87/28/571548728.db2.gz ATUQOCYBEXWDJS-RGVLZGJSSA-N -1 2 644.272 5.554 40 10 KKCBLM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)cc2I)cc1 ZINC000164477694 571548904 /nfs/dbraw/zinc/54/89/04/571548904.db2.gz DQIBBZNKJUZLOI-QGMBQPNBSA-N -1 2 773.115 5.602 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408934440 1070269637 /nfs/dbraw/zinc/26/96/37/1070269637.db2.gz ASKJMYVWULLSNN-YDZHTSKRSA-N -1 2 601.409 5.555 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3Cl)C2=O)cc1 ZINC000408946145 1070301257 /nfs/dbraw/zinc/30/12/57/1070301257.db2.gz YFGYOULZLMFNSR-XDHOZWIPSA-N -1 2 555.768 5.046 40 10 KKCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000408982546 1070341012 /nfs/dbraw/zinc/34/10/12/1070341012.db2.gz HNPQBVMUXYVARY-JAIQZWGSSA-N -1 2 675.273 5.560 40 10 KKCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1Cl ZINC000408983280 1070342144 /nfs/dbraw/zinc/34/21/44/1070342144.db2.gz LDDYYAONRIHXJE-LSCVHKIXSA-N -1 2 604.240 6.008 40 10 KKCBLM O=C([O-])c1cc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)o2)ccc1Cl ZINC000409073864 1070500365 /nfs/dbraw/zinc/50/03/65/1070500365.db2.gz JAAWENZDQBYRRJ-LCYFTJDESA-N -1 2 505.697 5.271 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408945758 1071274874 /nfs/dbraw/zinc/27/48/74/1071274874.db2.gz XEAJJIXXRFVQAS-SRZZPIQSSA-N -1 2 579.403 5.018 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408943796 1071290226 /nfs/dbraw/zinc/29/02/26/1071290226.db2.gz MCNCMKPAVPCTRB-XODNFHPESA-N -1 2 598.099 6.580 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408938680 1071329013 /nfs/dbraw/zinc/32/90/13/1071329013.db2.gz RCHYTODFVKNISL-WSDLNYQXSA-N -1 2 640.430 5.250 40 10 KKCBLM O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2Br)c1 ZINC000408951141 1071352912 /nfs/dbraw/zinc/35/29/12/1071352912.db2.gz LRBVXEHEDQJNCX-CCVNUDIWSA-N -1 2 655.545 6.861 40 10 KKCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1Cl ZINC000408989275 1071597511 /nfs/dbraw/zinc/59/75/11/1071597511.db2.gz TYQLYOFVOKSBRP-GRSHGNNSSA-N -1 2 569.795 5.355 40 10 KKCBLM Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cc(Br)cc(Br)c2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409066925 1072000690 /nfs/dbraw/zinc/00/06/90/1072000690.db2.gz DMTNANNLYYZIGP-DJKKODMXSA-N -1 2 648.691 6.117 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2Cl)cc1 ZINC000409066558 1072002729 /nfs/dbraw/zinc/00/27/29/1072002729.db2.gz NKVLOMZVZTVRNQ-CXUHLZMHSA-N -1 2 545.762 5.590 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000409064840 1072012756 /nfs/dbraw/zinc/01/27/56/1072012756.db2.gz FTLXPIUZBAKPDX-LICLKQGHSA-N -1 2 512.349 5.074 40 10 KKCBLM Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409072673 1072080850 /nfs/dbraw/zinc/08/08/50/1072080850.db2.gz KKEIMRMMYFGAAC-QGMBQPNBSA-N -1 2 559.789 5.899 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409069452 1072102557 /nfs/dbraw/zinc/10/25/57/1072102557.db2.gz JBJAYOIDCPVCDE-CVKSISIWSA-N -1 2 706.343 6.734 40 10 KKCBLM O=C([O-])c1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)c2)cc1 ZINC000409067478 1072117872 /nfs/dbraw/zinc/11/78/72/1072117872.db2.gz DXAPXSHWKHIGKR-VEILYXNESA-N -1 2 548.551 5.209 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409386470 1072687088 /nfs/dbraw/zinc/68/70/88/1072687088.db2.gz UEQVPRSBFMJYRW-LGJNPRDNSA-N -1 2 596.636 5.700 40 10 KKCBLM CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409399398 1072750171 /nfs/dbraw/zinc/75/01/71/1072750171.db2.gz HXTCGSUKZQJAPT-UNOMPAQXSA-N -1 2 571.811 5.240 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000103846717 571363415 /nfs/dbraw/zinc/36/34/15/571363415.db2.gz JAUDVXIXICNQEW-OKCVXOCRSA-N -1 2 620.702 6.497 40 10 KKCBLM CC(Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000103921147 571369701 /nfs/dbraw/zinc/36/97/01/571369701.db2.gz SEUVHUBSFWIUME-QQTULTPQSA-N -1 2 527.606 5.229 40 10 KKCBLM CC(=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)c1c(=O)n(-c2ccccc2)[nH]c1-c1ccccc1 ZINC000103921147 571369702 /nfs/dbraw/zinc/36/97/02/571369702.db2.gz SEUVHUBSFWIUME-QQTULTPQSA-N -1 2 527.606 5.229 40 10 KKCBLM NC1=CC=C2C(=O)C=C(S(=O)(=O)[O-])C=C2C1=[NH+]Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104388987 571379894 /nfs/dbraw/zinc/37/98/94/571379894.db2.gz FAVWUHVDBDLERC-OUYNTLDRSA-N -1 2 527.540 5.452 40 10 KKCBLM CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4cccc(C(=O)[O-])c4)c(OC)c3)C2=O)c1 ZINC000164345530 571546142 /nfs/dbraw/zinc/54/61/42/571546142.db2.gz ILANMGVMTIKAFG-CIAFOILYSA-N -1 2 686.455 5.041 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408903607 1069752753 /nfs/dbraw/zinc/75/27/53/1069752753.db2.gz UGYYPBTZGVXGBY-VXLYETTFSA-N -1 2 630.245 5.164 40 10 KKCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1C ZINC000408849246 1070062341 /nfs/dbraw/zinc/06/23/41/1070062341.db2.gz VSQBDHWZRGSGFB-CIAFOILYSA-N -1 2 549.377 5.010 40 10 KKCBLM O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)c1 ZINC000408899439 1070157793 /nfs/dbraw/zinc/15/77/93/1070157793.db2.gz PGFRMNXBOYAIIA-YBFXNURJSA-N -1 2 555.768 5.046 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408940150 1070284896 /nfs/dbraw/zinc/28/48/96/1070284896.db2.gz UKQWZFZFQQHUOX-RGVLZGJSSA-N -1 2 646.821 5.287 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408948235 1070312902 /nfs/dbraw/zinc/31/29/02/1070312902.db2.gz FCQRUTNACDGZNM-XODNFHPESA-N -1 2 685.571 6.869 40 10 KKCBLM CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408984436 1070352853 /nfs/dbraw/zinc/35/28/53/1070352853.db2.gz QZFGRTDTVFWVNC-JMIUGGIZSA-N -1 2 613.848 5.753 40 10 KKCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1Cl ZINC000408991148 1070357839 /nfs/dbraw/zinc/35/78/39/1070357839.db2.gz ZHLLUQRZJSWIRF-LSCVHKIXSA-N -1 2 648.691 6.117 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408897249 1070825019 /nfs/dbraw/zinc/82/50/19/1070825019.db2.gz IOVSOSPJLGMJAN-WSDLNYQXSA-N -1 2 640.430 5.250 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408903323 1070904932 /nfs/dbraw/zinc/90/49/32/1070904932.db2.gz QRYKVOISKCQGFO-RGVLZGJSSA-N -1 2 599.821 5.445 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408936404 1071213566 /nfs/dbraw/zinc/21/35/66/1071213566.db2.gz GBSLLOJBGAXSDR-ZVHZXABRSA-N -1 2 570.985 5.836 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408946656 1071266377 /nfs/dbraw/zinc/26/63/77/1071266377.db2.gz PITRZCZBHKVFOR-CXUHLZMHSA-N -1 2 532.767 5.419 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408946761 1071267817 /nfs/dbraw/zinc/26/78/17/1071267817.db2.gz AYDXASDFKGRFGK-IPPBACCNSA-N -1 2 699.598 7.259 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(Cl)c3)C2=O)cc1 ZINC000408940384 1071316581 /nfs/dbraw/zinc/31/65/81/1071316581.db2.gz NWTVWZGLMXIYBG-YBFXNURJSA-N -1 2 555.768 5.046 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408939054 1071325797 /nfs/dbraw/zinc/32/57/97/1071325797.db2.gz LPEJZKWGYFSUGK-QGMBQPNBSA-N -1 2 575.788 5.599 40 10 KKCBLM O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)c([O-])c(Cl)c1 ZINC000408948316 1071366299 /nfs/dbraw/zinc/36/62/99/1071366299.db2.gz FMDXQOUUFNBTCX-DNTJNYDQSA-N -1 2 511.405 5.833 40 10 KKCBLM CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408983064 1071521089 /nfs/dbraw/zinc/52/10/89/1071521089.db2.gz KAFHXTXNJGZPHU-JMIUGGIZSA-N -1 2 569.397 5.644 40 10 KKCBLM CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408981498 1071534873 /nfs/dbraw/zinc/53/48/73/1071534873.db2.gz BKLCCPHIPOMZAX-XKZIYDEJSA-N -1 2 548.979 5.245 40 10 KKCBLM Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O ZINC000408995457 1071552564 /nfs/dbraw/zinc/55/25/64/1071552564.db2.gz AFXCBTXKTYKBCG-GIJQJNRQSA-N -1 2 787.142 5.910 40 10 KKCBLM Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)ccc1Br ZINC000408754505 1071650472 /nfs/dbraw/zinc/65/04/72/1071650472.db2.gz RBZYVGWTYVPYHM-MHWRWJLKSA-N -1 2 529.730 5.036 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408753764 1071655175 /nfs/dbraw/zinc/65/51/75/1071655175.db2.gz HWENVEDRPSQHGG-RGVLZGJSSA-N -1 2 658.299 5.862 40 10 KKCBLM Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)ccc1Br ZINC000408752694 1071663737 /nfs/dbraw/zinc/66/37/37/1071663737.db2.gz JKMBVVBVWPYNTO-GIJQJNRQSA-N -1 2 787.142 5.910 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408775897 1071753047 /nfs/dbraw/zinc/75/30/47/1071753047.db2.gz SSRIXSBFRQSHIF-CIAFOILYSA-N -1 2 579.403 5.100 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)cc1 ZINC000408769384 1071792367 /nfs/dbraw/zinc/79/23/67/1071792367.db2.gz SMFFVRIEHMAEPU-GIJQJNRQSA-N -1 2 634.664 5.809 40 10 KKCBLM O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000409046108 1071835363 /nfs/dbraw/zinc/83/53/63/1071835363.db2.gz IOSLUWBOOYHHSU-VCHYOVAHSA-N -1 2 572.209 5.163 40 10 KKCBLM O=C([O-])c1ccc(COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409050145 1071958363 /nfs/dbraw/zinc/95/83/63/1071958363.db2.gz ZKFFHLVZAFIAPD-IMRQLAEWSA-N -1 2 548.551 5.209 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)cc1 ZINC000409066368 1071994166 /nfs/dbraw/zinc/99/41/66/1071994166.db2.gz MUMPUHKSSCPTJI-WGOQTCKBSA-N -1 2 582.996 5.863 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000409066395 1071994796 /nfs/dbraw/zinc/99/47/96/1071994796.db2.gz ANQVMZZUJDVZKK-FRKPEAEDSA-N -1 2 669.109 6.462 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409075624 1072059132 /nfs/dbraw/zinc/05/91/32/1072059132.db2.gz SKSKLUSDRHVIIA-VCHYOVAHSA-N -1 2 555.370 5.254 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000409074778 1072066736 /nfs/dbraw/zinc/06/67/36/1072066736.db2.gz RKNNUGQYOISTDY-VXLYETTFSA-N -1 2 590.213 5.700 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409073384 1072075288 /nfs/dbraw/zinc/07/52/88/1072075288.db2.gz HHYBOFJLQLQQJL-CAOOACKPSA-N -1 2 667.239 5.550 40 10 KKCBLM Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409070962 1072092471 /nfs/dbraw/zinc/09/24/71/1072092471.db2.gz MPKHASIGFFIAEZ-XDHOZWIPSA-N -1 2 569.795 5.355 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409067464 1072117888 /nfs/dbraw/zinc/11/78/88/1072117888.db2.gz DUSPFXUDJINETG-CAOOACKPSA-N -1 2 580.207 6.244 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384333 1072700859 /nfs/dbraw/zinc/70/08/59/1072700859.db2.gz BHAKAROARBTAQI-YBFXNURJSA-N -1 2 568.449 5.162 40 10 KKCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000059198223 554384651 /nfs/dbraw/zinc/38/46/51/554384651.db2.gz ZHGWFMQBMKFPFY-XDHOZWIPSA-N -1 2 508.328 5.062 40 10 KKCBLM CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OCc4ccc(C(=O)[O-])cc4)cc3Br)C2=O)c1 ZINC000164321490 571545627 /nfs/dbraw/zinc/54/56/27/571545627.db2.gz YLBQZQDEWPWPOK-CIAFOILYSA-N -1 2 639.455 5.199 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2I)cc1 ZINC000164326508 571545905 /nfs/dbraw/zinc/54/59/05/571545905.db2.gz JUZRJPCHQSVXGY-KKMKTNMSSA-N -1 2 781.441 7.465 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)cc1 ZINC000164446538 571547604 /nfs/dbraw/zinc/54/76/04/571547604.db2.gz MIMXGUSIFJSZAR-GIJQJNRQSA-N -1 2 679.115 5.918 40 10 KKCBLM CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)c1 ZINC000408851173 1070065504 /nfs/dbraw/zinc/06/55/04/1070065504.db2.gz WBHQCRSKDBKFFZ-LPYMAVHISA-N -1 2 609.031 5.480 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408857840 1070068988 /nfs/dbraw/zinc/06/89/88/1070068988.db2.gz WXULBIISNVZNNX-WSDLNYQXSA-N -1 2 548.979 5.299 40 10 KKCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408854752 1070073195 /nfs/dbraw/zinc/07/31/95/1070073195.db2.gz ARGWUKJOCUIYIV-VXLYETTFSA-N -1 2 556.800 5.183 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408938527 1070295715 /nfs/dbraw/zinc/29/57/15/1070295715.db2.gz KUBBBMFWCMMUNW-VXLYETTFSA-N -1 2 585.794 5.055 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408947077 1071263208 /nfs/dbraw/zinc/26/32/08/1071263208.db2.gz ZKVZVENELVWPMZ-DJKKODMXSA-N -1 2 634.266 6.098 40 10 KKCBLM O=C([O-])COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408946798 1071265135 /nfs/dbraw/zinc/26/51/35/1071265135.db2.gz BCKAYQYWGWBOED-FOKLQQMPSA-N -1 2 579.447 5.047 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408938573 1071331083 /nfs/dbraw/zinc/33/10/83/1071331083.db2.gz LAAASSQPUVAVFC-VXLYETTFSA-N -1 2 585.794 5.055 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408938439 1071332756 /nfs/dbraw/zinc/33/27/56/1071332756.db2.gz QPJDJBAHPWWDNY-YBFXNURJSA-N -1 2 646.821 5.287 40 10 KKCBLM COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408982021 1071530010 /nfs/dbraw/zinc/53/00/10/1071530010.db2.gz FFPVGSKOZSCAPP-OCKHKDLRSA-N -1 2 646.821 5.205 40 10 KKCBLM CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000408993748 1071563656 /nfs/dbraw/zinc/56/36/56/1071563656.db2.gz FMZONOCADKUDKW-KEBDBYFISA-N -1 2 738.272 5.238 40 10 KKCBLM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2I)cc1 ZINC000409001038 1071647554 /nfs/dbraw/zinc/64/75/54/1071647554.db2.gz ZZYAKJXEDNKUNB-FRKPEAEDSA-N -1 2 763.109 6.146 40 10 KKCBLM Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)ccc1Br ZINC000408753231 1071659117 /nfs/dbraw/zinc/65/91/17/1071659117.db2.gz FQNZHLDZNBVNRX-GIJQJNRQSA-N -1 2 604.240 6.008 40 10 KKCBLM Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)c1C ZINC000408998003 1071661665 /nfs/dbraw/zinc/66/16/65/1071661665.db2.gz PTUNEFKYLVVCBN-VXLYETTFSA-N -1 2 722.273 5.456 40 10 KKCBLM Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)ccc1Br ZINC000408764715 1071726934 /nfs/dbraw/zinc/72/69/34/1071726934.db2.gz JUZGOQOVTVIBAQ-YBFXNURJSA-N -1 2 614.246 5.464 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)cc2I)cc1 ZINC000408773257 1071768791 /nfs/dbraw/zinc/76/87/91/1071768791.db2.gz HRMMQHBQFIGEQN-MHWRWJLKSA-N -1 2 637.213 5.542 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409067030 1071999190 /nfs/dbraw/zinc/99/91/90/1071999190.db2.gz ORRQZTVFXNYTSS-JVWAILMASA-N -1 2 718.500 6.213 40 10 KKCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1 ZINC000409075400 1072059699 /nfs/dbraw/zinc/05/96/99/1072059699.db2.gz YFBKSKFYKDJCCY-LPYMAVHISA-N -1 2 656.429 5.032 40 10 KKCBLM Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O ZINC000409070431 1072096758 /nfs/dbraw/zinc/09/67/58/1072096758.db2.gz GGSGISQVOYZANN-QGMBQPNBSA-N -1 2 648.691 6.117 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409069713 1072099663 /nfs/dbraw/zinc/09/96/63/1072099663.db2.gz VNIDLVMYUFAREN-DJKKODMXSA-N -1 2 555.370 5.254 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Br)cc1 ZINC000409069573 1072101077 /nfs/dbraw/zinc/10/10/77/1072101077.db2.gz LPKKQEBDFDAFPS-RQZCQDPDSA-N -1 2 590.213 5.700 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409068371 1072113088 /nfs/dbraw/zinc/11/30/88/1072113088.db2.gz GAONUEKBMZSWOY-QGMBQPNBSA-N -1 2 545.762 5.590 40 10 KKCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1Cl ZINC000409068747 1072108751 /nfs/dbraw/zinc/10/87/51/1072108751.db2.gz HTOXQLQVDPUPOX-DJKKODMXSA-N -1 2 648.691 6.117 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409067714 1072116208 /nfs/dbraw/zinc/11/62/08/1072116208.db2.gz QXKRPLRZVXXLIF-VXLYETTFSA-N -1 2 634.664 5.809 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409067639 1072117006 /nfs/dbraw/zinc/11/70/06/1072117006.db2.gz QGARENHEIKFNEB-MTDXEUNCSA-N -1 2 592.604 5.608 40 10 KKCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386704 1072684473 /nfs/dbraw/zinc/68/44/73/1072684473.db2.gz RLKSZRIMTIEKBN-XDHOZWIPSA-N -1 2 582.476 5.470 40 10 KKCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387381 1072744278 /nfs/dbraw/zinc/74/42/78/1072744278.db2.gz WHCODYHTWHOTDN-FYJGNVAPSA-N -1 2 517.607 5.016 40 10 KKCBLM CC(=Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000103921259 571369650 /nfs/dbraw/zinc/36/96/50/571369650.db2.gz ZMPWCWFCJCFQLK-UQQQWYQISA-N -1 2 602.101 5.678 40 10 KKCBLM Cc1cc(C)c(N=NC2=CC(=[NH+]Nc3c(C)cc(C)cc3S(=O)(=O)[O-])c3ccccc3C2=O)c(S(=O)(=O)[O-])c1 ZINC000104045395 571371719 /nfs/dbraw/zinc/37/17/19/571371719.db2.gz FKLXKNMPDFTFPS-SWGBCSPSSA-N -1 2 568.633 7.103 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000164324892 571545897 /nfs/dbraw/zinc/54/58/97/571545897.db2.gz UMESBJMESHINTG-XODNFHPESA-N -1 2 732.571 6.711 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2Br)cc1 ZINC000164348707 571546294 /nfs/dbraw/zinc/54/62/94/571546294.db2.gz JJXFPZMDGYOLNT-KKMKTNMSSA-N -1 2 734.441 7.623 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408782174 1069906727 /nfs/dbraw/zinc/90/67/27/1069906727.db2.gz WKJFODCPYSNOGT-WSDLNYQXSA-N -1 2 548.979 5.299 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408939104 1070281479 /nfs/dbraw/zinc/28/14/79/1070281479.db2.gz LSQCTOQCKYCQCT-VCHYOVAHSA-N -1 2 585.794 5.055 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408946605 1070309442 /nfs/dbraw/zinc/30/94/42/1070309442.db2.gz ARFRQGICYUYWDO-XODNFHPESA-N -1 2 641.120 6.760 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409071172 1070497164 /nfs/dbraw/zinc/49/71/64/1070497164.db2.gz FOJXSLYCYBLZHQ-CAOOACKPSA-N -1 2 620.239 5.708 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409072732 1070499059 /nfs/dbraw/zinc/49/90/59/1070499059.db2.gz DCPHCZGMHOHJCX-DJKKODMXSA-N -1 2 646.821 5.205 40 10 KKCBLM COc1ccc(-c2[nH]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1 ZINC000103922612 1070934957 /nfs/dbraw/zinc/93/49/57/1070934957.db2.gz GNRFTYQZEXAVPX-XHPQRKPJSA-N -1 2 602.629 5.146 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408933949 1071199926 /nfs/dbraw/zinc/19/99/26/1071199926.db2.gz CJWCZZMADYAQPL-PCLIKHOPSA-N -1 2 536.540 5.182 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408933307 1071243736 /nfs/dbraw/zinc/24/37/36/1071243736.db2.gz ALNIGKKRYXQNCO-CAOOACKPSA-N -1 2 532.767 5.419 40 10 KKCBLM Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)cc2Br)c1 ZINC000408946207 1071271220 /nfs/dbraw/zinc/27/12/20/1071271220.db2.gz YNFAWPSNAGFHSH-CIAFOILYSA-N -1 2 549.377 5.010 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(Br)c3)C2=O)cc1 ZINC000408944239 1071287731 /nfs/dbraw/zinc/28/77/31/1071287731.db2.gz UDPNEGYKFFACSN-OEAKJJBVSA-N -1 2 571.383 5.546 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408949581 1071360031 /nfs/dbraw/zinc/36/00/31/1071360031.db2.gz ILMOERQAIAYUGF-IPPBACCNSA-N -1 2 699.598 7.259 40 10 KKCBLM O=C([O-])COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408956885 1071374203 /nfs/dbraw/zinc/37/42/03/1071374203.db2.gz ZBKUFLYXMYAGFM-ODCIPOBUSA-N -1 2 658.343 5.809 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2Br)cc1 ZINC000408954039 1071394192 /nfs/dbraw/zinc/39/41/92/1071394192.db2.gz RCLJTKTVYJNSJR-CCVNUDIWSA-N -1 2 655.545 6.861 40 10 KKCBLM Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O ZINC000408765440 1071723763 /nfs/dbraw/zinc/72/37/63/1071723763.db2.gz PPVCXXGQODFZNZ-MHWRWJLKSA-N -1 2 529.730 5.036 40 10 KKCBLM Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O ZINC000408775775 1071754143 /nfs/dbraw/zinc/75/41/43/1071754143.db2.gz JRGILWAMQKJOQE-YBFXNURJSA-N -1 2 661.246 5.306 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2I)cc1 ZINC000408781314 1071819322 /nfs/dbraw/zinc/81/93/22/1071819322.db2.gz CBBLSTPQNGRNRA-GIJQJNRQSA-N -1 2 681.664 5.651 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)cc1 ZINC000408786311 1071852522 /nfs/dbraw/zinc/85/25/22/1071852522.db2.gz PFFLIPSPENZIQG-GIJQJNRQSA-N -1 2 590.213 5.700 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408782598 1071875508 /nfs/dbraw/zinc/87/55/08/1071875508.db2.gz WXVVLRKOFCOQMC-CIAFOILYSA-N -1 2 579.403 5.100 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409071687 1072087873 /nfs/dbraw/zinc/08/78/73/1072087873.db2.gz HWPWMNYPNWUBHX-DJKKODMXSA-N -1 2 545.762 5.590 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409067973 1072114085 /nfs/dbraw/zinc/11/40/85/1072114085.db2.gz RVRUKHYAGBQQBU-CVKSISIWSA-N -1 2 657.473 5.980 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)cc1 ZINC000409068673 1072110823 /nfs/dbraw/zinc/11/08/23/1072110823.db2.gz USSVSSFEAVSPRK-YBFXNURJSA-N -1 2 555.768 5.046 40 10 KKCBLM CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409398866 1072751583 /nfs/dbraw/zinc/75/15/83/1072751583.db2.gz FGXRVZKDYAHOBC-UNOMPAQXSA-N -1 2 616.262 5.349 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409214344 1072953110 /nfs/dbraw/zinc/95/31/10/1072953110.db2.gz XNWKRYCWDWPZNU-RWPZCVJISA-N -1 2 563.654 5.927 40 10 KKCBLM CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)c1 ZINC000103846435 571363431 /nfs/dbraw/zinc/36/34/31/571363431.db2.gz JGNCWBBPNWPXRI-RGVLZGJSSA-N -1 2 599.423 5.734 40 10 KKCBLM CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000103919125 571369561 /nfs/dbraw/zinc/36/95/61/571369561.db2.gz RONOIFYGXLNGDB-QJOMJCCJSA-N -1 2 550.666 5.591 40 10 KKCBLM CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)c1 ZINC000164321828 571545648 /nfs/dbraw/zinc/54/56/48/571545648.db2.gz UXGWCVBRNGNYNC-RGVLZGJSSA-N -1 2 688.325 5.953 40 10 KKCBLM O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c3ccccc32)o1 ZINC000408543268 572212367 /nfs/dbraw/zinc/21/23/67/572212367.db2.gz PZLHHBNTMLKGGU-CCVNUDIWSA-N -1 2 589.648 6.115 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408808779 1069960479 /nfs/dbraw/zinc/96/04/79/1069960479.db2.gz FMDHJTIKWMRJMF-CAOOACKPSA-N -1 2 532.767 5.419 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000408938510 1070295050 /nfs/dbraw/zinc/29/50/50/1070295050.db2.gz KRAXEBKOPDKLDP-YBFXNURJSA-N -1 2 599.821 5.445 40 10 KKCBLM Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)c(Br)c3)C2=O)c1 ZINC000408901096 1070923463 /nfs/dbraw/zinc/92/34/63/1070923463.db2.gz VLSONZRQHMTXQR-CIAFOILYSA-N -1 2 549.377 5.010 40 10 KKCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3c(OCc4ccc(C(=O)[O-])cc4)ccc4ccccc43)C2=O)cc1 ZINC000408897961 1070962862 /nfs/dbraw/zinc/96/28/62/1070962862.db2.gz JWIBTKBEKUPRDF-PCLIKHOPSA-N -1 2 506.514 5.092 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408897341 1070968408 /nfs/dbraw/zinc/96/84/08/1070968408.db2.gz IYANVDOZQMXBQF-RGVLZGJSSA-N -1 2 599.821 5.445 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(Br)c3)C2=O)cc1 ZINC000408935735 1071219665 /nfs/dbraw/zinc/21/96/65/1071219665.db2.gz DOAZKKWRHOZUIH-YBFXNURJSA-N -1 2 555.768 5.046 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4cccc(Cl)c4)ccc4ccccc43)C2=O)cc1 ZINC000408947135 1071263716 /nfs/dbraw/zinc/26/37/16/1071263716.db2.gz ZPRNIORSYDFOSY-BUVRLJJBSA-N -1 2 526.932 5.437 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408942847 1071296089 /nfs/dbraw/zinc/29/60/89/1071296089.db2.gz QXQXVRHXMMFTDL-ZVHZXABRSA-N -1 2 615.436 5.945 40 10 KKCBLM O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Cl ZINC000408956444 1071377409 /nfs/dbraw/zinc/37/74/09/1071377409.db2.gz WUBYTYOPERICEO-ODCIPOBUSA-N -1 2 569.441 5.591 40 10 KKCBLM O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)o2)cc1 ZINC000408953903 1071394631 /nfs/dbraw/zinc/39/46/31/1071394631.db2.gz QKQJKLCNTSSEOC-VULFUBBASA-N -1 2 536.584 5.779 40 10 KKCBLM O=C([O-])COc1c(Br)cc(I)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408954708 1071389525 /nfs/dbraw/zinc/38/95/25/1071389525.db2.gz SIFHEXQQPCCAHT-LSFURLLWSA-N -1 2 705.343 5.651 40 10 KKCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1Cl ZINC000408983631 1071515688 /nfs/dbraw/zinc/51/56/88/1071515688.db2.gz MYMBHNUUZUVJSK-LSCVHKIXSA-N -1 2 559.789 5.899 40 10 KKCBLM COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408983401 1071518942 /nfs/dbraw/zinc/51/89/42/1071518942.db2.gz LXAMYHDBDJCWRW-OCKHKDLRSA-N -1 2 599.821 5.363 40 10 KKCBLM CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408981665 1071533606 /nfs/dbraw/zinc/53/36/06/1071533606.db2.gz CGQYDSLBSYFWTN-XKZIYDEJSA-N -1 2 593.430 5.354 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408757001 1071634269 /nfs/dbraw/zinc/63/42/69/1071634269.db2.gz VLGLWRPPXJWJKT-VXLYETTFSA-N -1 2 644.272 5.472 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408765920 1071721582 /nfs/dbraw/zinc/72/15/82/1071721582.db2.gz RRPVRZFNAHROKS-VXLYETTFSA-N -1 2 599.821 5.363 40 10 KKCBLM Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)ccc1Br ZINC000408762273 1071736338 /nfs/dbraw/zinc/73/63/38/1071736338.db2.gz JVVACUATJZFZTC-MHWRWJLKSA-N -1 2 529.730 5.036 40 10 KKCBLM O=C([O-])c1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCc1ccccc1 ZINC000409038607 1071905223 /nfs/dbraw/zinc/90/52/23/1071905223.db2.gz AEVSAZAFWDZNTI-IMRQLAEWSA-N -1 2 548.551 5.209 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409066607 1072002708 /nfs/dbraw/zinc/00/27/08/1072002708.db2.gz LSNBPARGGKQVOA-YBFXNURJSA-N -1 2 613.848 5.753 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000409065541 1072008689 /nfs/dbraw/zinc/00/86/89/1072008689.db2.gz JEVUAVNHTBAHJV-GZTJUZNOSA-N -1 2 512.349 5.074 40 10 KKCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409065975 1072005740 /nfs/dbraw/zinc/00/57/40/1072005740.db2.gz JONKGLHDOSOEKP-CIAFOILYSA-N -1 2 555.370 5.336 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409064159 1072016107 /nfs/dbraw/zinc/01/61/07/1072016107.db2.gz BVHDVWOOQUZZQM-YBFXNURJSA-N -1 2 555.370 5.336 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409074934 1072065611 /nfs/dbraw/zinc/06/56/11/1072065611.db2.gz ONKCFTLDYZESCE-KEBDBYFISA-N -1 2 613.848 5.753 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409074298 1072068738 /nfs/dbraw/zinc/06/87/38/1072068738.db2.gz LMKHLTXLUHGGSV-DJKKODMXSA-N -1 2 645.216 5.063 40 10 KKCBLM Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409073668 1072072775 /nfs/dbraw/zinc/07/27/75/1072072775.db2.gz RBHYWDGOWMFIKM-VCHYOVAHSA-N -1 2 559.789 5.899 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386690 1072684488 /nfs/dbraw/zinc/68/44/88/1072684488.db2.gz RHIAZKUYBPQXHZ-LFIBNONCSA-N -1 2 558.443 5.706 40 10 KKCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387893 1072740765 /nfs/dbraw/zinc/74/07/65/1072740765.db2.gz XYSIOFYABCLZLM-FYJGNVAPSA-N -1 2 517.607 5.016 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387946 1072741231 /nfs/dbraw/zinc/74/12/31/1072741231.db2.gz YYUAZZWBWJDTDN-LICLKQGHSA-N -1 2 558.443 5.706 40 10 KKCBLM CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409400551 1072745104 /nfs/dbraw/zinc/74/51/04/1072745104.db2.gz TUOHGLMVJPVDAQ-UNOMPAQXSA-N -1 2 571.811 5.240 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(C=C3C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000033358374 553955155 /nfs/dbraw/zinc/95/51/55/553955155.db2.gz BYWDLXQQOBKMBK-UNOMPAQXSA-N -1 2 521.323 5.233 40 10 KKCBLM CC(Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000103921163 571369641 /nfs/dbraw/zinc/36/96/41/571369641.db2.gz RDYKQCCSNHVKNF-PLRJNAJWSA-N -1 2 545.596 5.368 40 10 KKCBLM CC(=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)c1c(=O)n(-c2ccc(F)cc2)[nH]c1-c1ccccc1 ZINC000103921163 571369642 /nfs/dbraw/zinc/36/96/42/571369642.db2.gz RDYKQCCSNHVKNF-PLRJNAJWSA-N -1 2 545.596 5.368 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)cc1 ZINC000164448570 571548005 /nfs/dbraw/zinc/54/80/05/571548005.db2.gz UJPSUCCTPQVSHK-GIJQJNRQSA-N -1 2 634.664 5.809 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000164461682 571548151 /nfs/dbraw/zinc/54/81/51/571548151.db2.gz AODAHFBHYBCARH-VXLYETTFSA-N -1 2 677.245 5.006 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000164462827 571548354 /nfs/dbraw/zinc/54/83/54/571548354.db2.gz WJDXMOHSPKBUEM-VXLYETTFSA-N -1 2 630.245 5.164 40 10 KKCBLM O=C([O-])c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C2=O)cc1 ZINC000408531796 572177465 /nfs/dbraw/zinc/17/74/65/572177465.db2.gz LRKQOQXSDAYHIG-KGENOOAVSA-N -1 2 564.436 5.194 40 10 KKCBLM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1cc(Br)c(O)c(Br)c1 ZINC000108422818 1069716759 /nfs/dbraw/zinc/71/67/59/1069716759.db2.gz PLZITSFMDGEYFX-WCIBSUBMSA-N -1 2 514.557 5.075 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408903806 1070187944 /nfs/dbraw/zinc/18/79/44/1070187944.db2.gz ZPNSKSLJCKTNHP-BUVRLJJBSA-N -1 2 571.383 5.546 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4cccc5ccccc54)ccc4ccccc43)C2=O)cc1 ZINC000408939430 1070282614 /nfs/dbraw/zinc/28/26/14/1070282614.db2.gz MMLJXJFXWAFMSH-MTDXEUNCSA-N -1 2 542.547 5.937 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409067892 1070484809 /nfs/dbraw/zinc/48/48/09/1070484809.db2.gz DPYHSMXWODCNLU-YBFXNURJSA-N -1 2 569.397 5.644 40 10 KKCBLM COc1ccc(-c2[nH]n(-c3ccc(F)cc3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1 ZINC000103922600 1070934998 /nfs/dbraw/zinc/93/49/98/1070934998.db2.gz XMSGLBRIUBQXSY-XHPQRKPJSA-N -1 2 575.622 5.377 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408936391 1071213472 /nfs/dbraw/zinc/21/34/72/1071213472.db2.gz FXGLXHUOYXQXKW-RGVLZGJSSA-N -1 2 644.272 5.554 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408935865 1071217354 /nfs/dbraw/zinc/21/73/54/1071217354.db2.gz DWWODDIAJPZLGR-BUVRLJJBSA-N -1 2 526.932 5.437 40 10 KKCBLM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)o1 ZINC000408947944 1071367498 /nfs/dbraw/zinc/36/74/98/1071367498.db2.gz DWJMUERSIKGLBF-MZJWZYIUSA-N -1 2 550.611 6.087 40 10 KKCBLM Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)ccc1Br ZINC000408752494 1071664478 /nfs/dbraw/zinc/66/44/78/1071664478.db2.gz AXLLBRIMVILKTR-UDWIEESQSA-N -1 2 614.246 5.464 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408760365 1071696971 /nfs/dbraw/zinc/69/69/71/1071696971.db2.gz XKCPPQHSJLOIFF-RGVLZGJSSA-N -1 2 613.848 5.753 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000409065868 1072006704 /nfs/dbraw/zinc/00/67/04/1072006704.db2.gz KUXLXEMASPHXNB-LICLKQGHSA-N -1 2 634.664 5.809 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Cl)cc1 ZINC000409076141 1072053256 /nfs/dbraw/zinc/05/32/56/1072053256.db2.gz YKGHVOPUIHJJHF-AFUMVMLFSA-N -1 2 617.441 6.516 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409074019 1072071133 /nfs/dbraw/zinc/07/11/33/1072071133.db2.gz JMPYYVUKGZNWLS-RQZCQDPDSA-N -1 2 545.762 5.590 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409073681 1072072797 /nfs/dbraw/zinc/07/27/97/1072072797.db2.gz RCJIASVXTOQWMV-CVKSISIWSA-N -1 2 613.022 5.871 40 10 KKCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1C ZINC000409069771 1072100037 /nfs/dbraw/zinc/10/00/37/1072100037.db2.gz WKXTZOORGRHWGO-SRZZPIQSSA-N -1 2 628.273 5.772 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409385544 1072692069 /nfs/dbraw/zinc/69/20/69/1072692069.db2.gz LFEWGONDDUVZIA-RWPZCVJISA-N -1 2 623.775 6.867 40 10 KKCBLM C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)ccc21 ZINC000409192453 1072825712 /nfs/dbraw/zinc/82/57/12/1072825712.db2.gz XNWWNVCKXGFWLS-LHQXQZTBSA-N -1 2 537.616 5.421 40 10 KKCBLM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)o1 ZINC000103842004 571362405 /nfs/dbraw/zinc/36/24/05/571362405.db2.gz QXFFAVKKTWBZSH-MZJWZYIUSA-N -1 2 550.611 6.087 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)cc1 ZINC000103858618 571366693 /nfs/dbraw/zinc/36/66/93/571366693.db2.gz CONANJACUXMDEE-GIJQJNRQSA-N -1 2 590.213 5.700 40 10 KKCBLM COc1cc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)N=C3C)cc2)nc(OC)n1 ZINC000408532453 572179557 /nfs/dbraw/zinc/17/95/57/572179557.db2.gz MUCAVQWECZZNEV-USHMODERSA-N -1 2 628.755 5.481 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408952478 1070314624 /nfs/dbraw/zinc/31/46/24/1070314624.db2.gz NYNOTCTXAKZEGR-WKULSOCRSA-N -1 2 655.545 6.861 40 10 KKCBLM Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409065168 1070481848 /nfs/dbraw/zinc/48/18/48/1070481848.db2.gz IACFGQKXOUAORB-RQZCQDPDSA-N -1 2 559.789 5.899 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408902619 1070910425 /nfs/dbraw/zinc/91/04/25/1070910425.db2.gz LCOVPZWGRQVXPB-RGVLZGJSSA-N -1 2 644.272 5.554 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408902513 1070911838 /nfs/dbraw/zinc/91/18/38/1070911838.db2.gz ITEXENKQIJWZRG-RGVLZGJSSA-N -1 2 691.272 5.396 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408898956 1070951252 /nfs/dbraw/zinc/95/12/52/1070951252.db2.gz NKOBRMBIQZSGAP-CIAFOILYSA-N -1 2 579.403 5.100 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C2=O)cc1 ZINC000408937274 1071257911 /nfs/dbraw/zinc/25/79/11/1071257911.db2.gz IQLBPUTZHXSPMY-GIJQJNRQSA-N -1 2 545.762 5.590 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408943968 1071261244 /nfs/dbraw/zinc/26/12/44/1071261244.db2.gz SWSPDJCSIFTSNI-YDZHTSKRSA-N -1 2 556.958 5.445 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408942973 1071297163 /nfs/dbraw/zinc/29/71/63/1071297163.db2.gz RKGOJFUFIXLMGH-RGVLZGJSSA-N -1 2 555.370 5.336 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 ZINC000408939265 1071324829 /nfs/dbraw/zinc/32/48/29/1071324829.db2.gz MDOGONHTZMSLGO-YBFXNURJSA-N -1 2 555.768 5.046 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)cc2)cc1 ZINC000408957029 1071372781 /nfs/dbraw/zinc/37/27/81/1071372781.db2.gz ZTQOUFLIXJBRDW-OKCVXOCRSA-N -1 2 576.649 6.098 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408955489 1071384432 /nfs/dbraw/zinc/38/44/32/1071384432.db2.gz UOIWLTCGVUXYIU-IPPBACCNSA-N -1 2 655.147 7.150 40 10 KKCBLM Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)ccc1Br ZINC000408754370 1071651605 /nfs/dbraw/zinc/65/16/05/1071651605.db2.gz QMRLULLSWDWCSM-GIJQJNRQSA-N -1 2 648.691 6.117 40 10 KKCBLM Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000408999043 1071655823 /nfs/dbraw/zinc/65/58/23/1071655823.db2.gz RETTYWDGAINFKX-VXLYETTFSA-N -1 2 708.246 5.148 40 10 KKCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl ZINC000408758826 1071704109 /nfs/dbraw/zinc/70/41/09/1071704109.db2.gz SAWJPXRKQKBESP-VCHYOVAHSA-N -1 2 556.800 5.183 40 10 KKCBLM Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)ccc1Br ZINC000408763284 1071732779 /nfs/dbraw/zinc/73/27/79/1071732779.db2.gz MMLMTNFBXAXAAO-YBFXNURJSA-N -1 2 661.246 5.306 40 10 KKCBLM COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409066681 1072001372 /nfs/dbraw/zinc/00/13/72/1072001372.db2.gz PFVJGMJNKHWROS-RGVLZGJSSA-N -1 2 630.245 5.164 40 10 KKCBLM Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O ZINC000409075935 1072056898 /nfs/dbraw/zinc/05/68/98/1072056898.db2.gz VVYMDHNXLQWWCA-VXLYETTFSA-N -1 2 569.795 5.355 40 10 KKCBLM Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409070802 1072093150 /nfs/dbraw/zinc/09/31/50/1072093150.db2.gz OYJNPOVZNDSSHU-RGVLZGJSSA-N -1 2 525.344 5.245 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409070128 1072098907 /nfs/dbraw/zinc/09/89/07/1072098907.db2.gz DOHQAUAWOFRTMD-LICLKQGHSA-N -1 2 585.794 5.055 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)cc1 ZINC000409068409 1072110784 /nfs/dbraw/zinc/11/07/84/1072110784.db2.gz GDXJITBBQHJKLF-QGMBQPNBSA-N -1 2 634.664 5.809 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386290 1072687584 /nfs/dbraw/zinc/68/75/84/1072687584.db2.gz PFVCVJLXRANZGX-XDHOZWIPSA-N -1 2 568.449 5.162 40 10 KKCBLM O=C([O-])c1cccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4ccc(S(=O)(=O)Nc5nccs5)cc4)o3)C2=O)c1 ZINC000005942007 552514398 /nfs/dbraw/zinc/51/43/98/552514398.db2.gz FDIMKXHDDJJSQO-UYRXBGFRSA-N -1 2 588.545 5.251 40 10 KKCBLM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc2c(NC=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cccc12 ZINC000150398439 571477246 /nfs/dbraw/zinc/47/72/46/571477246.db2.gz NUXIWKZDPBRJDX-MPKYGIEOSA-N -1 2 655.454 5.304 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000164469169 571548652 /nfs/dbraw/zinc/54/86/52/571548652.db2.gz CPYIBGUDJSTCMF-RGVLZGJSSA-N -1 2 691.272 5.396 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)C2=O)cc1 ZINC000408940783 1070286941 /nfs/dbraw/zinc/28/69/41/1070286941.db2.gz ORCCDZGJVZNMCZ-WOJGMQOQSA-N -1 2 555.768 5.046 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409075023 1070488384 /nfs/dbraw/zinc/48/83/84/1070488384.db2.gz WVHPJPZDOKFDOX-CVKSISIWSA-N -1 2 704.473 5.822 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408903818 1070902867 /nfs/dbraw/zinc/90/28/67/1070902867.db2.gz ZXOIVVVBQQUXLT-VXLYETTFSA-N -1 2 677.245 5.006 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408899803 1070941656 /nfs/dbraw/zinc/94/16/56/1070941656.db2.gz QKXQBKPUQRLVHX-WSDLNYQXSA-N -1 2 593.430 5.408 40 10 KKCBLM Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)c1 ZINC000408934563 1071233158 /nfs/dbraw/zinc/23/31/58/1071233158.db2.gz BIEMVSCOBYBCID-WGOQTCKBSA-N -1 2 520.541 5.400 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408933261 1071243198 /nfs/dbraw/zinc/24/31/98/1071243198.db2.gz ACTXXNPWKBPOIS-CAOOACKPSA-N -1 2 532.767 5.419 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408941832 1071304194 /nfs/dbraw/zinc/30/41/94/1071304194.db2.gz PWMKYZCKKQGJKG-VXLYETTFSA-N -1 2 590.213 5.700 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408939418 1071324252 /nfs/dbraw/zinc/32/42/52/1071324252.db2.gz MKUFSQJQGLLECZ-CIAFOILYSA-N -1 2 579.403 5.100 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408938531 1071330629 /nfs/dbraw/zinc/33/06/29/1071330629.db2.gz KUYCFSKLZKBBRP-RGVLZGJSSA-N -1 2 599.821 5.445 40 10 KKCBLM O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Br ZINC000408956768 1071375801 /nfs/dbraw/zinc/37/58/01/1071375801.db2.gz YJCNOOXQWATFCV-LSHDLFTRSA-N -1 2 579.447 5.047 40 10 KKCBLM CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408985679 1071497649 /nfs/dbraw/zinc/49/76/49/1071497649.db2.gz XOMPPBBOURXNCK-JMIUGGIZSA-N -1 2 613.848 5.753 40 10 KKCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000408999466 1071655319 /nfs/dbraw/zinc/65/53/19/1071655319.db2.gz LGOPQWFMJPGFRD-VXLYETTFSA-N -1 2 708.246 5.148 40 10 KKCBLM Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)ccc1Br ZINC000408766966 1071716775 /nfs/dbraw/zinc/71/67/75/1071716775.db2.gz UIWJEOSGCAPNBM-GIJQJNRQSA-N -1 2 740.142 6.068 40 10 KKCBLM Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O ZINC000408774507 1071760063 /nfs/dbraw/zinc/76/00/63/1071760063.db2.gz WAVOQODRKINBGT-MHWRWJLKSA-N -1 2 529.730 5.036 40 10 KKCBLM O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)o2)cc1Cl ZINC000408782373 1071812734 /nfs/dbraw/zinc/81/27/34/1071812734.db2.gz GKDAMXHTOXVVJP-DHRITJCHSA-N -1 2 571.029 6.432 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)cc1 ZINC000408779491 1071828862 /nfs/dbraw/zinc/82/88/62/1071828862.db2.gz FMTITVIFQXQEIO-GIJQJNRQSA-N -1 2 545.762 5.590 40 10 KKCBLM Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O ZINC000409064348 1072015590 /nfs/dbraw/zinc/01/55/90/1072015590.db2.gz GTKGNJTXXCGZBU-WOJGMQOQSA-N -1 2 569.795 5.355 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409063679 1072020313 /nfs/dbraw/zinc/02/03/13/1072020313.db2.gz DMFGSWWQUMJORJ-WPWMEQJKSA-N -1 2 627.447 5.972 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409073313 1072077032 /nfs/dbraw/zinc/07/70/32/1072077032.db2.gz GVUUYWLBLJKUFG-VCHYOVAHSA-N -1 2 646.821 5.205 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409070251 1072097129 /nfs/dbraw/zinc/09/71/29/1072097129.db2.gz LDZCOEHFOCIRDR-JVWAILMASA-N -1 2 671.500 6.370 40 10 KKCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl ZINC000409333368 1072355403 /nfs/dbraw/zinc/35/54/03/1072355403.db2.gz GQFIVQRHHHHGLX-NVMNQCDNSA-N -1 2 512.349 5.074 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387130 1072682125 /nfs/dbraw/zinc/68/21/25/1072682125.db2.gz UBBBKRDDUWYMSJ-XDHOZWIPSA-N -1 2 523.998 5.052 40 10 KKCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000096585250 553756415 /nfs/dbraw/zinc/75/64/15/553756415.db2.gz QYXRMYQQCLHFAX-HMAPJEAMSA-N -1 2 500.507 5.042 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000100232412 554257246 /nfs/dbraw/zinc/25/72/46/554257246.db2.gz YDQXZZJIMLLJHP-IWIPYMOSSA-N -1 2 526.932 5.437 40 10 KKCBLM Cc1cc(C)c(N=NC2=CC(=[NH+]Nc3c(C)cc(C)cc3S(=O)(=O)[O-])c3ccccc3C2=O)c(S(=O)(=O)[O-])c1 ZINC000104045389 571371660 /nfs/dbraw/zinc/37/16/60/571371660.db2.gz FKLXKNMPDFTFPS-ZUELCTOOSA-N -1 2 568.633 7.103 40 10 KKCBLM NC1=CC=C2C(=O)C=C(S(=O)(=O)[O-])C=C2C1=[NH+]Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104388998 571379910 /nfs/dbraw/zinc/37/99/10/571379910.db2.gz FAVWUHVDBDLERC-RNDSACKQSA-N -1 2 527.540 5.452 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc2I)cc1 ZINC000408777610 1069894223 /nfs/dbraw/zinc/89/42/23/1069894223.db2.gz DDVPTBCUSDLUDB-RQZCQDPDSA-N -1 2 637.213 5.542 40 10 KKCBLM O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Br)c([O-])c([N+](=O)[O-])c1 ZINC000408843398 1070057754 /nfs/dbraw/zinc/05/77/54/1070057754.db2.gz FHADPYLWYUMWEQ-DNTJNYDQSA-N -1 2 566.408 5.197 40 10 KKCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000408985144 1070345325 /nfs/dbraw/zinc/34/53/25/1070345325.db2.gz VUTAYQBKMZJTKP-JAIQZWGSSA-N -1 2 722.273 5.402 40 10 KKCBLM O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)c1 ZINC000408903616 1070902634 /nfs/dbraw/zinc/90/26/34/1070902634.db2.gz UODJIEJTLGMNSA-YBFXNURJSA-N -1 2 555.768 5.046 40 10 KKCBLM COc1ccc(-c2[nH]n(-c3ccc(OC)cc3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1 ZINC000103922594 1070935037 /nfs/dbraw/zinc/93/50/37/1070935037.db2.gz NMJHOTDXVLNDNH-OOAXWGSJSA-N -1 2 587.658 5.246 40 10 KKCBLM O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408936151 1071214079 /nfs/dbraw/zinc/21/40/79/1071214079.db2.gz ONLZYNCJOGHMBK-JFLMPSFJSA-N -1 2 535.600 5.310 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000408945587 1071278029 /nfs/dbraw/zinc/27/80/29/1071278029.db2.gz WVKMYUUWSJIWRB-UDWIEESQSA-N -1 2 555.768 5.046 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408940052 1071320417 /nfs/dbraw/zinc/32/04/17/1071320417.db2.gz TXLVCCUHSFNERA-DJKKODMXSA-N -1 2 681.266 5.940 40 10 KKCBLM Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000408999084 1071655745 /nfs/dbraw/zinc/65/57/45/1071655745.db2.gz WGTUHYLJSSEZTO-KEBDBYFISA-N -1 2 722.273 5.456 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408765177 1071724565 /nfs/dbraw/zinc/72/45/65/1071724565.db2.gz XAGNTVYYWOQFHG-RGVLZGJSSA-N -1 2 705.299 5.704 40 10 KKCBLM O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)cc1Cl ZINC000408774996 1071757456 /nfs/dbraw/zinc/75/74/56/1071757456.db2.gz DZRNIYCNCUTWMR-NTEUORMPSA-N -1 2 505.697 5.271 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408780425 1071824943 /nfs/dbraw/zinc/82/49/43/1071824943.db2.gz YDXCVGAPIXLVFG-VXLYETTFSA-N -1 2 585.794 5.055 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408786796 1071847034 /nfs/dbraw/zinc/84/70/34/1071847034.db2.gz NXYFUUVZNDBUCI-UDWIEESQSA-N -1 2 555.768 5.046 40 10 KKCBLM Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409066411 1071994823 /nfs/dbraw/zinc/99/48/23/1071994823.db2.gz NAGHTXWUALWPIV-DJKKODMXSA-N -1 2 559.789 5.899 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409072648 1072080904 /nfs/dbraw/zinc/08/09/04/1072080904.db2.gz KDQIZFSYHODMDX-VCHYOVAHSA-N -1 2 599.821 5.363 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409072556 1072082234 /nfs/dbraw/zinc/08/22/34/1072082234.db2.gz VXFULGCRNJDUPZ-GIJQJNRQSA-N -1 2 589.815 5.989 40 10 KKCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1 ZINC000409071213 1072090410 /nfs/dbraw/zinc/09/04/10/1072090410.db2.gz FZWXGCRLIOUEGM-LPYMAVHISA-N -1 2 564.978 5.081 40 10 KKCBLM Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cc(Cl)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409069744 1072100074 /nfs/dbraw/zinc/10/00/74/1072100074.db2.gz WCWBAJAWKBYOFQ-XDHOZWIPSA-N -1 2 525.344 5.245 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2)cc1 ZINC000409067508 1072118430 /nfs/dbraw/zinc/11/84/30/1072118430.db2.gz YLYBNQMISUBCDI-MTDXEUNCSA-N -1 2 548.551 5.209 40 10 KKCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1Cl ZINC000409336850 1072408074 /nfs/dbraw/zinc/40/80/74/1072408074.db2.gz QNHNOCGIUACQHI-JAIQZWGSSA-N -1 2 569.795 5.355 40 10 KKCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387108 1072682135 /nfs/dbraw/zinc/68/21/35/1072682135.db2.gz TYMHKYPQRBZJOH-DEDYPNTBSA-N -1 2 517.607 5.016 40 10 KKCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000016268513 553558060 /nfs/dbraw/zinc/55/80/60/553558060.db2.gz ZRIVLDJIHJBUEG-NDENLUEZSA-N -1 2 508.328 5.062 40 10 KKCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000059198412 554384973 /nfs/dbraw/zinc/38/49/73/554384973.db2.gz GRZPKXKOQVWRAE-YBFXNURJSA-N -1 2 508.328 5.062 40 10 KKCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1 ZINC000101692838 554830979 /nfs/dbraw/zinc/83/09/79/554830979.db2.gz JYMASDDNRSTLRF-JAIQZWGSSA-N -1 2 539.371 5.499 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000103866780 571368102 /nfs/dbraw/zinc/36/81/02/571368102.db2.gz GWKBAWJDBMJQRA-WKULSOCRSA-N -1 2 606.675 6.107 40 10 KKCBLM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc2I)cc1 ZINC000150662528 571527850 /nfs/dbraw/zinc/52/78/50/571527850.db2.gz FEHPHKVILOZAKZ-FRKPEAEDSA-N -1 2 763.109 6.146 40 10 KKCBLM CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4cccc(C(=O)[O-])c4)c(OCC)c3)C2=O)c1 ZINC000164330198 571545781 /nfs/dbraw/zinc/54/57/81/571545781.db2.gz LNQJATLDAFESCT-LPYMAVHISA-N -1 2 700.482 5.431 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000164466626 571548411 /nfs/dbraw/zinc/54/84/11/571548411.db2.gz PVQKXFBDTTWRRA-RGVLZGJSSA-N -1 2 644.272 5.554 40 10 KKCBLM O=C([O-])c1ccccc1NC=C1C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O ZINC000408526853 572158911 /nfs/dbraw/zinc/15/89/11/572158911.db2.gz DFXVWRRFIDLDQK-XSFVSMFZSA-N -1 2 564.436 5.194 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408934301 1070269126 /nfs/dbraw/zinc/26/91/26/1070269126.db2.gz ACVUOKLGFIFQEQ-YBFXNURJSA-N -1 2 555.370 5.336 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408937144 1070290431 /nfs/dbraw/zinc/29/04/31/1070290431.db2.gz IHMXKYPJHKBHIV-DJKKODMXSA-N -1 2 589.815 5.989 40 10 KKCBLM Cc1cc(C)cc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)c1 ZINC000408937712 1070292231 /nfs/dbraw/zinc/29/22/31/1070292231.db2.gz JOHVNCVZGDTZNA-LPYMAVHISA-N -1 2 549.377 5.010 40 10 KKCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408945205 1070298975 /nfs/dbraw/zinc/29/89/75/1070298975.db2.gz NDJHMNRXBFVYEE-VXLYETTFSA-N -1 2 556.800 5.183 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408943966 1070305842 /nfs/dbraw/zinc/30/58/42/1070305842.db2.gz SWOZPFTUSGWQGI-RGVLZGJSSA-N -1 2 599.821 5.445 40 10 KKCBLM CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408982547 1070341195 /nfs/dbraw/zinc/34/11/95/1070341195.db2.gz HNWVCUVBVFNWFQ-XKZIYDEJSA-N -1 2 593.430 5.354 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408901559 1070918860 /nfs/dbraw/zinc/91/88/60/1070918860.db2.gz YUGFEIVDRMMWOK-SRZZPIQSSA-N -1 2 579.403 5.018 40 10 KKCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408913544 1071017330 /nfs/dbraw/zinc/01/73/30/1071017330.db2.gz LRVBSJBENDUASB-WKULSOCRSA-N -1 2 577.681 6.235 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408935118 1071225302 /nfs/dbraw/zinc/22/53/02/1071225302.db2.gz GUAHUAWREUYJOL-RGVLZGJSSA-N -1 2 555.370 5.336 40 10 KKCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(Br)cc3)C2=O)cc1 ZINC000408937740 1071336461 /nfs/dbraw/zinc/33/64/61/1071336461.db2.gz JRXNTXKZKSRBEQ-UDWIEESQSA-N -1 2 600.219 5.155 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408950414 1071357080 /nfs/dbraw/zinc/35/70/80/1071357080.db2.gz JXMBWJBEMLCATH-AUEPDCJTSA-N -1 2 670.500 5.288 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408948863 1071362876 /nfs/dbraw/zinc/36/28/76/1071362876.db2.gz HEMAICVYOATBAU-IPPBACCNSA-N -1 2 746.598 7.101 40 10 KKCBLM CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408984439 1071510101 /nfs/dbraw/zinc/51/01/01/1071510101.db2.gz RAUFZSNGFIADEH-JMIUGGIZSA-N -1 2 660.848 5.595 40 10 KKCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000409002580 1071640200 /nfs/dbraw/zinc/64/02/00/1071640200.db2.gz VFVHQCZXCDNRSR-RGVLZGJSSA-N -1 2 738.272 5.238 40 10 KKCBLM Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)c1 ZINC000408776450 1071749378 /nfs/dbraw/zinc/74/93/78/1071749378.db2.gz OGTJZXUKZBNJCF-KEBDBYFISA-N -1 2 583.822 5.663 40 10 KKCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000408780013 1071826707 /nfs/dbraw/zinc/82/67/07/1071826707.db2.gz PTENOLHBJRQQIJ-VXLYETTFSA-N -1 2 569.795 5.355 40 10 KKCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1Cl ZINC000409066236 1072003132 /nfs/dbraw/zinc/00/31/32/1072003132.db2.gz MKUBQIFQIXBMAW-RGVLZGJSSA-N -1 2 525.344 5.245 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000409064004 1072018939 /nfs/dbraw/zinc/01/89/39/1072018939.db2.gz FRDOJQZRHZCPPK-CVKSISIWSA-N -1 2 617.441 6.516 40 10 KKCBLM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000409074426 1072040487 /nfs/dbraw/zinc/04/04/87/1072040487.db2.gz LPZXYAOBHXHESH-LDADJPATSA-N -1 2 555.768 5.046 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409074858 1072065232 /nfs/dbraw/zinc/06/52/32/1072065232.db2.gz NGPRZDGGXGWYJT-CAOOACKPSA-N -1 2 575.788 5.599 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2Br)cc1 ZINC000409073274 1072076586 /nfs/dbraw/zinc/07/65/86/1072076586.db2.gz GQYYJHXBZVYINL-AFUMVMLFSA-N -1 2 706.343 6.734 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409073617 1072074719 /nfs/dbraw/zinc/07/47/19/1072074719.db2.gz QPCUWQOBCOQTQC-FRKPEAEDSA-N -1 2 580.207 6.244 40 10 KKCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409071899 1072085355 /nfs/dbraw/zinc/08/53/55/1072085355.db2.gz QLGOEMLVUWAMMP-KEBDBYFISA-N -1 2 569.397 5.644 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409071778 1072086515 /nfs/dbraw/zinc/08/65/15/1072086515.db2.gz IECMKASVNXPCOT-VXLYETTFSA-N -1 2 645.216 5.063 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Br)cc1 ZINC000409082228 1072215518 /nfs/dbraw/zinc/21/55/18/1072215518.db2.gz RMWMLDJNUOHJAY-QGMBQPNBSA-N -1 2 645.216 5.063 40 10 KKCBLM CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409401732 1072779400 /nfs/dbraw/zinc/77/94/00/1072779400.db2.gz ZGXOXTCICPAHRT-UNOMPAQXSA-N -1 2 616.262 5.349 40 10 KKCBLM O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)c([O-])c(Br)c1 ZINC000059198199 554384717 /nfs/dbraw/zinc/38/47/17/554384717.db2.gz LFOCPTWWSTWQRZ-VZUCSPMQSA-N -1 2 500.530 5.077 40 10 KKCBLM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2Br)cc1 ZINC000103849534 571364081 /nfs/dbraw/zinc/36/40/81/571364081.db2.gz ZSPKNXKLGFXLAM-GIJQJNRQSA-N -1 2 573.758 5.185 40 10 KKCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000164339303 571546078 /nfs/dbraw/zinc/54/60/78/571546078.db2.gz YBTQZCWBSPNDJR-XODNFHPESA-N -1 2 732.571 6.711 40 10 KKCBLM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2I)cc1 ZINC000164457260 571548167 /nfs/dbraw/zinc/54/81/67/571548167.db2.gz DZNIVMFATGJQBV-GIJQJNRQSA-N -1 2 773.115 5.602 40 10 KKCBLM