smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=NN(c2ccc(Br)cc2C)C(=O)C1C=Nc1ccc(Cl)cn1 ZINC000408529796 557296037 /nfs/dbraw/zinc/29/60/37/557296037.db2.gz KARVZUXQEGMUGC-ZROIWOOFSA-N 0 2 405.683 4.524 40 10 HJCBLN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)o2)cc1 ZINC000008842992 132333648 /nfs/dbraw/zinc/33/36/48/132333648.db2.gz DZPHHBDHKRDCJZ-CPNJWEJPSA-N 0 2 418.474 4.714 40 10 HJCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(C)n1C1CCCCC1 ZINC000408739809 557805711 /nfs/dbraw/zinc/80/57/11/557805711.db2.gz FVUJTCTWJZWTJQ-KGENOOAVSA-N 0 2 405.498 4.585 40 10 HJCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1c2ccccc2cc2ccccc21 ZINC000408913621 560653688 /nfs/dbraw/zinc/65/36/88/560653688.db2.gz MMUDCVDGCSCMFA-HYARGMPZSA-N 0 2 410.404 4.799 40 10 HJCBLN CC(=O)c1cccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)o2)c1 ZINC000059135438 568701033 /nfs/dbraw/zinc/70/10/33/568701033.db2.gz UFOAOXOPBXVEAM-XDHOZWIPSA-N 0 2 418.380 4.795 40 10 HJCBLN CCOc1ccc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OCC ZINC000059861462 568709377 /nfs/dbraw/zinc/70/93/77/568709377.db2.gz NCMRSZSHOWJGDW-SFQUDFHCSA-N 0 2 408.454 4.608 40 10 HJCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1c2ccccc2cc2ccccc21 ZINC000005739781 132307880 /nfs/dbraw/zinc/30/78/80/132307880.db2.gz YQDNPHWFPUCIOB-HMAPJEAMSA-N 0 2 410.404 4.799 40 10 HJCBLN CC[C@@H](C)n1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21 ZINC000408893544 560650392 /nfs/dbraw/zinc/65/03/92/560650392.db2.gz BAFGIYFWYWVWGB-VYVDHXHBSA-N 0 2 415.493 4.896 40 10 HJCBLN O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000001202674 132242179 /nfs/dbraw/zinc/24/21/79/132242179.db2.gz YAFKJGQUNYLJJJ-KGENOOAVSA-N 0 2 416.408 4.911 40 10 HJCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)C2=O)c1 ZINC000408739412 557805427 /nfs/dbraw/zinc/80/54/27/557805427.db2.gz BPZABKUSHDFWKU-LDADJPATSA-N 0 2 406.825 4.575 40 10 HJCBLN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O ZINC000408802219 560642788 /nfs/dbraw/zinc/64/27/88/560642788.db2.gz XSDZKPQXGOIELP-XSFVSMFZSA-N 0 2 414.461 4.522 40 10 HJCBLN CC[C@@H](C)n1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000408901749 560651507 /nfs/dbraw/zinc/65/15/07/560651507.db2.gz ZSFUIIBPJWCQGR-ONDHQXCVSA-N 0 2 421.884 4.932 40 10 HJCBLN CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc12 ZINC000059135064 568701233 /nfs/dbraw/zinc/70/12/33/568701233.db2.gz WTOWVLCVYUAUPK-CPNJWEJPSA-N 0 2 404.397 4.884 40 10 HJCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000008842988 132333690 /nfs/dbraw/zinc/33/36/90/132333690.db2.gz HKKOKYQLSGKXDO-LDADJPATSA-N 0 2 417.377 4.670 40 10 HJCBLN Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cc(C)cc(C)c4)cc3)C2=O)c1 ZINC000408873098 560649103 /nfs/dbraw/zinc/64/91/03/560649103.db2.gz RJHKHUGLXZASMO-LFVJCYFKSA-N 0 2 424.500 4.869 40 10 HJCBLN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)cc1 ZINC000409250559 560702083 /nfs/dbraw/zinc/70/20/83/560702083.db2.gz RAOQVQCJVOZIPR-RCCKNPSSSA-N 0 2 414.486 4.813 40 10 HJCBLN COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)C ZINC000033615277 568697401 /nfs/dbraw/zinc/69/74/01/568697401.db2.gz ZBMIOHAZFWKBFQ-MHWRWJLKSA-N 0 2 414.845 4.643 40 10 HJCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Sc4ccccc4)o3)C2=O)cc1C ZINC000408756150 557818049 /nfs/dbraw/zinc/81/80/49/557818049.db2.gz UEHBAIBLQKHPEM-CPNJWEJPSA-N 0 2 418.474 4.714 40 10 HJCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C1CCCC1 ZINC000408772473 560639262 /nfs/dbraw/zinc/63/92/62/560639262.db2.gz LWOFXGAYPOIBCO-XDHOZWIPSA-N 0 2 411.889 4.540 40 10 HJCBLN COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000223253876 568542661 /nfs/dbraw/zinc/54/26/61/568542661.db2.gz PCYJXBVQYTYYOL-UHFFFAOYSA-N 0 2 415.323 4.926 40 10 HJCBLN O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccccc1OCc1ccc(F)cc1 ZINC000033321567 568696886 /nfs/dbraw/zinc/69/68/86/568696886.db2.gz VPKJHUSKFGNLNI-XSFVSMFZSA-N 0 2 416.408 4.911 40 10 HJCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1F ZINC000059135296 568701180 /nfs/dbraw/zinc/70/11/80/568701180.db2.gz OTHXVFCHUQDQGA-LDADJPATSA-N 0 2 421.403 4.879 40 10 HJCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc(C)c1O ZINC000038182628 569360710 /nfs/dbraw/zinc/36/07/10/569360710.db2.gz WRVCUYYRMHTSJD-NTUHNPAUSA-N 0 2 405.237 4.823 40 10 HJCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(Sc3ccccc3)o2)C1=O ZINC000408757214 557816337 /nfs/dbraw/zinc/81/63/37/557816337.db2.gz WEUVXUMJXFEXPH-NBVRZTHBSA-N 0 2 418.474 4.660 40 10 HJCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3c(OC(C)C)ccc4ccccc43)C2=O)cc1 ZINC000408803747 560642998 /nfs/dbraw/zinc/64/29/98/560642998.db2.gz SYWYINVZLWKFJJ-KGENOOAVSA-N 0 2 414.461 4.602 40 10 HJCBLN Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2)c1 ZINC000408865210 560648341 /nfs/dbraw/zinc/64/83/41/560648341.db2.gz BXMYBHUOZNZOME-XQNSMLJCSA-N 0 2 424.500 4.869 40 10 HJCBLN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cc([N+](=O)[O-])ccc1C ZINC000112287740 560777964 /nfs/dbraw/zinc/77/79/64/560777964.db2.gz VEVALNSTYUHMOG-QNGOZBTKSA-N 0 2 408.458 4.801 40 10 HJCBLN CCCc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cc([N+](=O)[O-])ccc1C ZINC000112287740 560777965 /nfs/dbraw/zinc/77/79/65/560777965.db2.gz VEVALNSTYUHMOG-QNGOZBTKSA-N 0 2 408.458 4.801 40 10 HJCBLN COc1cc(N2N=C(C)C(C=Nc3ccc(Cl)cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000408537085 557336870 /nfs/dbraw/zinc/33/68/70/557336870.db2.gz ZBOJTVAODDXLTH-LCYFTJDESA-N 0 2 421.240 4.629 40 10 HJCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(Oc4ccccc4)c3)C2=O)cc1 ZINC000408989260 560662545 /nfs/dbraw/zinc/66/25/45/560662545.db2.gz SZJVYULYNJOFDI-JWGURIENSA-N 0 2 412.445 4.708 40 10 HJCBLN COc1ccc(N2N=C(C)C(C(C)=Nc3ccccc3OC(F)(F)F)C2=O)cc1 ZINC000112125940 560776831 /nfs/dbraw/zinc/77/68/31/560776831.db2.gz ZKJLHSFYMIGYKZ-PDGQHHTCSA-N 0 2 405.376 4.702 40 10 HJCBLN COc1ccc(-n2[nH]c(C)c(C(C)=Nc3ccccc3OC(F)(F)F)c2=O)cc1 ZINC000112125940 560776833 /nfs/dbraw/zinc/77/68/33/560776833.db2.gz ZKJLHSFYMIGYKZ-PDGQHHTCSA-N 0 2 405.376 4.702 40 10 HJCBLN Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)o1 ZINC000033409660 568697256 /nfs/dbraw/zinc/69/72/56/568697256.db2.gz BVJNGWZNCPYMFE-LDADJPATSA-N 0 2 417.377 4.670 40 10 HJCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(Cl)c3Cl)C2=O)cc1 ZINC000059426741 568706183 /nfs/dbraw/zinc/70/61/83/568706183.db2.gz VRWSKXHSLSFZFN-QPEQYQDCSA-N 0 2 409.656 4.622 40 10 HJCBLN CCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000027826850 569397575 /nfs/dbraw/zinc/39/75/75/569397575.db2.gz VIGWOLLMICYCQK-JYRVWZFOSA-N 0 2 405.237 4.899 40 10 HJCBLN O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 ZINC000001200785 132241907 /nfs/dbraw/zinc/24/19/07/132241907.db2.gz KWOJQDKZJORTAP-XSFVSMFZSA-N 0 2 416.408 4.911 40 10 HJCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)c1 ZINC000408741002 557806626 /nfs/dbraw/zinc/80/66/26/557806626.db2.gz NMMJACQNXALUFX-LDADJPATSA-N 0 2 406.825 4.575 40 10 HJCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1C ZINC000408859012 560648271 /nfs/dbraw/zinc/64/82/71/560648271.db2.gz VAZLXZIWPZSATO-XDHOZWIPSA-N 0 2 420.852 4.883 40 10 HJCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc4[nH]c5ccccc5c4c3)C2=O)c1 ZINC000408901540 560651446 /nfs/dbraw/zinc/65/14/46/560651446.db2.gz YQONAWRSARZOJU-DEDYPNTBSA-N 0 2 409.445 4.604 40 10 HJCBLN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1C(C)=Nc1cccc(OC)c1OC ZINC000103919339 560734757 /nfs/dbraw/zinc/73/47/57/560734757.db2.gz OGZUMOHZKBCCQJ-ZHZULCJRSA-N 0 2 424.457 4.501 40 10 HJCBLN CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cccc(OC)c1OC ZINC000103919339 560734759 /nfs/dbraw/zinc/73/47/59/560734759.db2.gz OGZUMOHZKBCCQJ-ZHZULCJRSA-N 0 2 424.457 4.501 40 10 HJCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(Cl)c3Cl)C2=O)c1 ZINC000059426660 568706387 /nfs/dbraw/zinc/70/63/87/568706387.db2.gz RHMKLHUJQAFWTP-AUWJEWJLSA-N 0 2 423.683 4.930 40 10 HJCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(C)c1O ZINC000038167688 569360772 /nfs/dbraw/zinc/36/07/72/569360772.db2.gz JMAPBFWCQGGIFO-NTUHNPAUSA-N 0 2 405.237 4.823 40 10 HJCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1C1CCCC1 ZINC000408771397 560638723 /nfs/dbraw/zinc/63/87/23/560638723.db2.gz HSPSWHLMXXPQKI-YBFXNURJSA-N 0 2 411.889 4.540 40 10 HJCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1C1CCCC1 ZINC000408775810 560639035 /nfs/dbraw/zinc/63/90/35/560639035.db2.gz SFVWQVDBDXYWCT-FYJGNVAPSA-N 0 2 405.498 4.503 40 10 HJCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1C1CCCCC1 ZINC000408851738 560646777 /nfs/dbraw/zinc/64/67/77/560646777.db2.gz FPZLHTZYOMWRTB-HYARGMPZSA-N 0 2 419.525 4.893 40 10 HJCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2c(Cl)cccc2Cl)C1=O ZINC000409211524 560695213 /nfs/dbraw/zinc/69/52/13/560695213.db2.gz NRDWKCISVKXQQL-DHZHZOJOSA-N 0 2 409.656 4.622 40 10 HJCBLN COC(=O)Cc1[nH]n(-c2ccccc2)c(=O)c1C(C)=Nc1cc(Cl)ccc1Cl ZINC000112286115 560777901 /nfs/dbraw/zinc/77/79/01/560777901.db2.gz WTSSTPOZALJMLC-UNOMPAQXSA-N 0 2 418.280 4.645 40 10 HJCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(Cl)ccc4C)o3)C2=O)cc1 ZINC000408779055 560640814 /nfs/dbraw/zinc/64/08/14/560640814.db2.gz PZKPCPPNSHQZSN-XDHOZWIPSA-N 0 2 420.852 4.883 40 10 HJCBLN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O ZINC000408819881 560645399 /nfs/dbraw/zinc/64/53/99/560645399.db2.gz YSYYJQVJXYSUFC-XSFVSMFZSA-N 0 2 414.461 4.522 40 10 HJCBLN Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3cc(C)cc(C)c3)C2=O)c1 ZINC000408869950 560648248 /nfs/dbraw/zinc/64/82/48/560648248.db2.gz ULMRSDKDJSVROB-LFVJCYFKSA-N 0 2 424.500 4.869 40 10 HJCBLN O=C1C=CC(=NNc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2cccnc21 ZINC000100680873 559137739 /nfs/dbraw/zinc/13/77/39/559137739.db2.gz IOROHHFNXSCMPV-VHXPQNKSSA-N 0 2 405.439 4.552 40 10 HJCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1C1CCCC1 ZINC000408778431 560640821 /nfs/dbraw/zinc/64/08/21/560640821.db2.gz UMMYMPVQOHANET-FYJGNVAPSA-N 0 2 405.498 4.503 40 10 HJCBLN Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 ZINC000408881523 560649856 /nfs/dbraw/zinc/64/98/56/560649856.db2.gz MQZVRCXBAKLFBT-XQNSMLJCSA-N 0 2 424.500 4.869 40 10 HJCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1 ZINC000408901642 560651484 /nfs/dbraw/zinc/65/14/84/560651484.db2.gz ZJOMGUWQHCVGPG-XSFVSMFZSA-N 0 2 402.837 4.673 40 10 HJCBLN COC(=O)Cc1[nH]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(Cl)cc1Cl ZINC000112286178 560777872 /nfs/dbraw/zinc/77/78/72/560777872.db2.gz YJNMTCDKRJSSGI-UNOMPAQXSA-N 0 2 418.280 4.645 40 10 HJCBLN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccccc1OCC ZINC000112287633 560777947 /nfs/dbraw/zinc/77/79/47/560777947.db2.gz CYNSETRMGTXDMP-QNGOZBTKSA-N 0 2 408.458 4.882 40 10 HJCBLN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1C(C)=Nc1ccccc1OCC ZINC000112287633 560777949 /nfs/dbraw/zinc/77/79/49/560777949.db2.gz CYNSETRMGTXDMP-QNGOZBTKSA-N 0 2 408.458 4.882 40 10 HJCBLN CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccccc1OCC ZINC000112287633 560777950 /nfs/dbraw/zinc/77/79/50/560777950.db2.gz CYNSETRMGTXDMP-QNGOZBTKSA-N 0 2 408.458 4.882 40 10 HJCBLN COc1cccc(N=C(C)c2c(-c3ccccc3)[nH]n(-c3ccccc3)c2=O)c1OC ZINC000017089566 560864439 /nfs/dbraw/zinc/86/44/39/560864439.db2.gz UWMUZSTXICFJJS-XLNRJJMWSA-N 0 2 413.477 4.841 40 10 HJCBLN O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(N2CCCC2)o1 ZINC000059138525 568701420 /nfs/dbraw/zinc/70/14/20/568701420.db2.gz WEEHVNIDUNJAOX-ZRDIBKRKSA-N 0 2 420.252 4.693 40 10 HJCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000059106187 568703874 /nfs/dbraw/zinc/70/38/74/568703874.db2.gz USZHMFYTRBGPLY-WJDWOHSUSA-N 0 2 421.340 4.501 40 10 HJCBLN O=C1NC(=O)N(c2cccc3ccccc32)C(=O)C1=CNc1cccc2ccccc21 ZINC000408534215 557320126 /nfs/dbraw/zinc/32/01/26/557320126.db2.gz PRZQOTHBGCVMNR-HMMYKYKNSA-N 0 2 407.429 4.572 40 10 HJCBLN CCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408537942 557350334 /nfs/dbraw/zinc/35/03/34/557350334.db2.gz IJHFJRKNCBRBNL-JWGURIENSA-N 0 2 420.509 4.929 40 10 HJCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)cc1 ZINC000408883488 560649676 /nfs/dbraw/zinc/64/96/76/560649676.db2.gz UWCVRYOZWDQYDH-HMMYKYKNSA-N 0 2 416.864 4.597 40 10 HJCBLN CCOc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1C(C)C ZINC000408961867 560658353 /nfs/dbraw/zinc/65/83/53/560658353.db2.gz OWJTXXWNOOKRHT-FYJGNVAPSA-N 0 2 420.509 4.800 40 10 HJCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)cc3Cl)C2=O)cc1Cl ZINC000408988036 560661840 /nfs/dbraw/zinc/66/18/40/560661840.db2.gz QELZBSRAVKWOSU-MLPAPPSSSA-N 0 2 409.656 4.622 40 10 HJCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc(Cl)cc2Cl)C1=O ZINC000409211159 560695144 /nfs/dbraw/zinc/69/51/44/560695144.db2.gz MXMVDYNXBKHLPE-AWNIVKPZSA-N 0 2 409.656 4.622 40 10 HJCBLN CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1OCC ZINC000059861452 568709154 /nfs/dbraw/zinc/70/91/54/568709154.db2.gz WFCYKSSTFNCJNJ-SFQUDFHCSA-N 0 2 408.454 4.608 40 10 HJCBLN CCc1ccc(N2C(=O)C(=Cc3cc(Cl)c(O)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000038176808 569360701 /nfs/dbraw/zinc/36/07/01/569360701.db2.gz OXTDSWVSLUZNPS-NTUHNPAUSA-N 0 2 421.305 4.933 40 10 HJCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(SCc4ccco4)o3)C2=O)cc1 ZINC000041108856 524391574 /nfs/dbraw/zinc/39/15/74/524391574.db2.gz USCIJJVDAMRVAC-BOPFTXTBSA-N 0 2 424.434 4.680 40 10 HJCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc12 ZINC000408773694 560639377 /nfs/dbraw/zinc/63/93/77/560639377.db2.gz WMEXUPHUTJWORO-KGENOOAVSA-N 0 2 414.461 4.522 40 10 HJCBLN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000408809386 560643825 /nfs/dbraw/zinc/64/38/25/560643825.db2.gz HLXIQDWMNMXBRH-GHRIWEEISA-N 0 2 420.852 4.558 40 10 HJCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2c(OC(C)C)ccc3ccccc32)C1=O ZINC000014133134 560838717 /nfs/dbraw/zinc/83/87/17/560838717.db2.gz POPZXDXNNMFVRE-XSFVSMFZSA-N 0 2 414.461 4.602 40 10 HJCBLN CCCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1OCC ZINC000059861485 568709260 /nfs/dbraw/zinc/70/92/60/568709260.db2.gz BSRJYSYKNKYLHY-QGOAFFKASA-N 0 2 422.481 4.998 40 10 HJCBLN CCCOc1ccc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OCC ZINC000059861497 568709602 /nfs/dbraw/zinc/70/96/02/568709602.db2.gz ZJEGSJPNVVZOQE-QGOAFFKASA-N 0 2 422.481 4.998 40 10 HJCBLN CC(C)(C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000108120010 569361300 /nfs/dbraw/zinc/36/13/00/569361300.db2.gz YMCLJHOVAMORAV-ZROIWOOFSA-N 0 2 405.281 4.632 40 10 HJCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1c2ccccc2cc2ccccc21 ZINC000006283479 132310113 /nfs/dbraw/zinc/31/01/13/132310113.db2.gz YQDNPHWFPUCIOB-HYARGMPZSA-N 0 2 410.404 4.799 40 10 HJCBLN COC(=O)c1ccccc1N=C(C)c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O ZINC000103921311 560735150 /nfs/dbraw/zinc/73/51/50/560735150.db2.gz SXFRUAMDHYHLON-XLNRJJMWSA-N 0 2 411.461 4.610 40 10 HJCBLN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cc([N+](=O)[O-])ccc1C ZINC000112290986 560778131 /nfs/dbraw/zinc/77/81/31/560778131.db2.gz DDGARQKVACYKJW-ZHZULCJRSA-N 0 2 423.429 4.700 40 10 HJCBLN CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cc([N+](=O)[O-])ccc1C ZINC000112290986 560778133 /nfs/dbraw/zinc/77/81/33/560778133.db2.gz DDGARQKVACYKJW-ZHZULCJRSA-N 0 2 423.429 4.700 40 10 HJCBLN CC(Nc1cc([N+](=O)[O-])ccc1C)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000017087673 560862824 /nfs/dbraw/zinc/86/28/24/560862824.db2.gz DOGHBEVHCBBFJQ-PDGQHHTCSA-N 0 2 407.455 4.622 40 10 HJCBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cccc(Cl)c3)C2=O)c1 ZINC000059105061 568700473 /nfs/dbraw/zinc/70/04/73/568700473.db2.gz DZTQCCFJGKTWHY-LFIBNONCSA-N 0 2 414.845 4.644 40 10 HJCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3c(OC)ccc4ccccc43)C2=O)cc1 ZINC000059859654 568709239 /nfs/dbraw/zinc/70/92/39/568709239.db2.gz WWOGCJARTIMTPT-ZHZULCJRSA-N 0 2 416.433 4.754 40 10 HJCBLN Cc1cc(N2CCCC2)c(F)cc1C=C1C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000033671489 569360339 /nfs/dbraw/zinc/36/03/39/569360339.db2.gz RYVOTFYDAXUTKV-SFQUDFHCSA-N 0 2 407.445 4.549 40 10 HJCBLN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1cc(Cl)ccc1O ZINC000013549118 558538675 /nfs/dbraw/zinc/53/86/75/558538675.db2.gz ZXVYREMOJQRTIR-ZROIWOOFSA-N 0 2 406.667 4.527 40 10 HJCBLN Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1cc(Cl)ccc1O ZINC000013549118 558538677 /nfs/dbraw/zinc/53/86/77/558538677.db2.gz ZXVYREMOJQRTIR-ZROIWOOFSA-N 0 2 406.667 4.527 40 10 HJCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(Sc4ccccc4)o3)C2=O)c1 ZINC000408758885 559271450 /nfs/dbraw/zinc/27/14/50/559271450.db2.gz TZAAIYVGFNCVRJ-CPNJWEJPSA-N 0 2 418.474 4.714 40 10 HJCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3c(Cl)cccc3Cl)C2=O)cc1Cl ZINC000409218060 560697662 /nfs/dbraw/zinc/69/76/62/560697662.db2.gz YJNLNYJRIQZPAA-XYOKQWHBSA-N 0 2 409.656 4.622 40 10 HJCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccccc3)o2)C1=O ZINC000409244113 560703032 /nfs/dbraw/zinc/70/30/32/560703032.db2.gz XXEPHRDCPXZCKI-FOWTUZBSSA-N 0 2 406.825 4.575 40 10 HJCBLN CCCc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cccc(OC)c1OC ZINC000103919329 560734808 /nfs/dbraw/zinc/73/48/08/560734808.db2.gz MQDJRHODFNHASF-QNGOZBTKSA-N 0 2 409.486 4.601 40 10 HJCBLN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1C(C)=Nc1cccc(OC)c1OC ZINC000103919329 560734809 /nfs/dbraw/zinc/73/48/09/560734809.db2.gz MQDJRHODFNHASF-QNGOZBTKSA-N 0 2 409.486 4.601 40 10 HJCBLN CC(=Nc1ccccc1OC(F)(F)F)C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000112290631 560778114 /nfs/dbraw/zinc/77/81/14/560778114.db2.gz XFZORXBVMFWZHR-BOPFTXTBSA-N 0 2 420.347 4.602 40 10 HJCBLN CC(=Nc1ccccc1OC(F)(F)F)c1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000112290631 560778116 /nfs/dbraw/zinc/77/81/16/560778116.db2.gz XFZORXBVMFWZHR-BOPFTXTBSA-N 0 2 420.347 4.602 40 10 HJCBLN CC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)o2)cc1 ZINC000059135436 568701229 /nfs/dbraw/zinc/70/12/29/568701229.db2.gz DCWBEYKMSULGSI-XDHOZWIPSA-N 0 2 418.380 4.795 40 10 HJCBLN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Cl)c(O)c(Cl)c1 ZINC000059136046 568701250 /nfs/dbraw/zinc/70/12/50/568701250.db2.gz PLPMLCOGYQDHOE-WEVVVXLNSA-N 0 2 411.241 4.510 40 10 HJCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1C1CCCCC1 ZINC000408741743 557808712 /nfs/dbraw/zinc/80/87/12/557808712.db2.gz RUWLSXVUVOHZHF-KGENOOAVSA-N 0 2 405.498 4.585 40 10 HJCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Cl)cc(Cl)c1O ZINC000083327265 558833726 /nfs/dbraw/zinc/83/37/26/558833726.db2.gz BTYULHUFASGMHO-WUXMJOGZSA-N 0 2 411.628 4.859 40 10 HJCBLN Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)o1 ZINC000408849812 560647085 /nfs/dbraw/zinc/64/70/85/560647085.db2.gz ZGBSCKUDDNENQG-WOJGMQOQSA-N 0 2 424.815 4.714 40 10 HJCBLN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1C(C)=Nc1cc(OC)ccc1OC ZINC000112290979 560778144 /nfs/dbraw/zinc/77/81/44/560778144.db2.gz LZWXTHWOWRFVJD-STZFKDTASA-N 0 2 424.457 4.501 40 10 HJCBLN CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cc(OC)ccc1OC ZINC000112290979 560778146 /nfs/dbraw/zinc/77/81/46/560778146.db2.gz LZWXTHWOWRFVJD-STZFKDTASA-N 0 2 424.457 4.501 40 10 HJCBLN CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccc(OC)cc1OC ZINC000112290999 560778189 /nfs/dbraw/zinc/77/81/89/560778189.db2.gz PCWYAKVPOSHRHB-STZFKDTASA-N 0 2 424.457 4.501 40 10 HJCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000059135299 568701244 /nfs/dbraw/zinc/70/12/44/568701244.db2.gz COTXWVNDQVQKQM-RGVLZGJSSA-N 0 2 421.403 4.879 40 10 HJCBLN O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(Cl)cc1 ZINC000059198306 568702543 /nfs/dbraw/zinc/70/25/43/568702543.db2.gz RHSPUIJLNNSYBL-RIYZIHGNSA-N 0 2 405.635 4.609 40 10 HJCBLN COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OC(C)C ZINC000059860937 568709319 /nfs/dbraw/zinc/70/93/19/568709319.db2.gz FVDBWHAYCMDCKN-GZTJUZNOSA-N 0 2 408.454 4.606 40 10 HJCBLN CC[C@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(CC)CC)cc3)C2=O)cc1 ZINC000002215459 569310563 /nfs/dbraw/zinc/31/05/63/569310563.db2.gz OTCLIHGIDCLIND-JMMZKRSASA-N 0 2 419.525 4.713 40 10 HJCBLN Cn1c2ccccc2c(O)c(C2=Nc3ccccc3N[C@H](c3ccccc3O)C2)c1=O ZINC000104827585 559161675 /nfs/dbraw/zinc/16/16/75/559161675.db2.gz OZDZDKSFNANSLU-IBGZPJMESA-N 0 2 411.461 4.627 40 10 HJCBLN Cc1cc(/N=N\Cc2ccccc2)nc(NS(=O)(=O)c2ccccc2Cl)n1 ZINC000004859385 560613068 /nfs/dbraw/zinc/61/30/68/560613068.db2.gz VOSFRUNKEZICQW-ATJXCDBQSA-N 0 2 401.879 4.523 40 10 HJCBLN CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O ZINC000408806691 560642725 /nfs/dbraw/zinc/64/27/25/560642725.db2.gz BFKCMPBQKSUPPZ-RCCKNPSSSA-N 0 2 414.461 4.603 40 10 HJCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(Oc4ccccc4)c3)C2=O)cc1C ZINC000408855131 560647728 /nfs/dbraw/zinc/64/77/28/560647728.db2.gz DSPGDBLATKJMEA-PXLXIMEGSA-N 0 2 412.445 4.762 40 10 HJCBLN Cc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409333839 560710665 /nfs/dbraw/zinc/71/06/65/560710665.db2.gz JUSWAPDPVZIFTJ-ZZXKWVIFSA-N 0 2 421.240 4.681 40 10 HJCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(C)n1C1CCCC1 ZINC000408782108 560641147 /nfs/dbraw/zinc/64/11/47/560641147.db2.gz VSTFFGSYGKVNTQ-DEDYPNTBSA-N 0 2 405.498 4.503 40 10 HJCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c2ccccc12 ZINC000408786702 560641765 /nfs/dbraw/zinc/64/17/65/560641765.db2.gz UWRLEUNGTAUVMX-KGENOOAVSA-N 0 2 414.461 4.522 40 10 HJCBLN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408787303 560641812 /nfs/dbraw/zinc/64/18/12/560641812.db2.gz WVEAMLHTURHONB-KGENOOAVSA-N 0 2 414.461 4.522 40 10 HJCBLN CC[C@H](C)n1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000408901747 560651456 /nfs/dbraw/zinc/65/14/56/560651456.db2.gz ZSFUIIBPJWCQGR-BXUJETTOSA-N 0 2 421.884 4.932 40 10 HJCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccc(F)cc3)o2)C1=O ZINC000409236710 560699143 /nfs/dbraw/zinc/69/91/43/560699143.db2.gz GRPOZUXKJQDKCN-LFIBNONCSA-N 0 2 424.815 4.714 40 10 HJCBLN COc1ccc(-c2[nH]n(-c3ccc(F)cc3)c(=O)c2C(C)=Nc2ncccc2C)cc1 ZINC000103922141 560735160 /nfs/dbraw/zinc/73/51/60/560735160.db2.gz OCZAVVATGVWXTC-PGMHBOJBSA-N 0 2 416.456 4.675 40 10 HJCBLN COc1cc2c(cc1S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1)CCCC2 ZINC000223136148 568539100 /nfs/dbraw/zinc/53/91/00/568539100.db2.gz MTMPJNOPYVQHEI-UHFFFAOYSA-N 0 2 421.518 4.606 40 10 HJCBLN CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc([C@@H](C)CC)cc3)C2=O)ccc1O ZINC000038160671 568974112 /nfs/dbraw/zinc/97/41/12/568974112.db2.gz HHBWYUJXLBEUPU-QCUKBLKESA-N 0 2 408.454 4.811 40 10 HJCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(SC4CCCCC4)o3)C2=O)cc1 ZINC000041077939 524925990 /nfs/dbraw/zinc/92/59/90/524925990.db2.gz CLCNRFKMSYWXRP-QGOAFFKASA-N 0 2 410.495 4.679 40 10 HJCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1C1CCCCC1 ZINC000408739570 557805475 /nfs/dbraw/zinc/80/54/75/557805475.db2.gz CSDGDOHYIDMATI-HYARGMPZSA-N 0 2 419.525 4.893 40 10 HJCBLN Cc1nn(-c2ccccc2)c(C)c1N=CC1C(=O)N(c2ccc(Cl)cc2)N=C1C ZINC000408758025 558825463 /nfs/dbraw/zinc/82/54/63/558825463.db2.gz UOMIIYXARAUZBA-DEDYPNTBSA-N 0 2 405.889 4.861 40 10 HJCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(Cl)c3O)C2=O)c1 ZINC000083308386 558833366 /nfs/dbraw/zinc/83/33/66/558833366.db2.gz UXVDTNSMJKQVNX-VGOFMYFVSA-N 0 2 405.237 4.823 40 10 HJCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4cc(C)cc(C)c4)cc3)C2=O)cc1 ZINC000408865387 560648367 /nfs/dbraw/zinc/64/83/67/560648367.db2.gz CCSZVHCNKILZJF-LFVJCYFKSA-N 0 2 424.500 4.869 40 10 HJCBLN Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1 ZINC000408877949 560649669 /nfs/dbraw/zinc/64/96/69/560649669.db2.gz YVMRSHFGVPDCBC-XQNSMLJCSA-N 0 2 410.473 4.561 40 10 HJCBLN CCCOc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OCC ZINC000059861477 568709301 /nfs/dbraw/zinc/70/93/01/568709301.db2.gz XYFVTHGULUZGPC-GHRIWEEISA-N 0 2 408.454 4.689 40 10 HJCBLN CC[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000107966958 569361293 /nfs/dbraw/zinc/36/12/93/569361293.db2.gz OPKCZLGFMXILBR-ZENNRRHLSA-N 0 2 405.281 4.632 40 10 HJCBLN COc1cc(N2N=C(C)C(C=Nc3c(C)cc(C)cc3[N+](=O)[O-])C2=O)ccc1Cl ZINC000408532026 557309468 /nfs/dbraw/zinc/30/94/68/557309468.db2.gz LTGMOJRDXGBXPG-GDNBJRDFSA-N 0 2 414.849 4.592 40 10 HJCBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(=Nc1ccc(Cl)c([N+](=O)[O-])c1)C(F)(F)F ZINC000408999295 560663529 /nfs/dbraw/zinc/66/35/29/560663529.db2.gz QQRHUOPUVBLDFI-NXVVXOECSA-N 0 2 424.766 4.899 40 10 HJCBLN CC(Nc1cccnc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000103920334 560735019 /nfs/dbraw/zinc/73/50/19/560735019.db2.gz LKHOONOYEDNFGL-HKWRFOASSA-N 0 2 411.490 4.828 40 10 HJCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 ZINC000002306616 132252190 /nfs/dbraw/zinc/25/21/90/132252190.db2.gz WLNAAQCSGIJNLH-SFQUDFHCSA-N 0 2 424.865 4.751 40 10 HJCBLN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)o2)cc1 ZINC000008842991 132333674 /nfs/dbraw/zinc/33/36/74/132333674.db2.gz LUWUJCLHJSRVKC-CPNJWEJPSA-N 0 2 418.474 4.714 40 10 HJCBLN CCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C2=N)S1 ZINC000041083178 519947158 /nfs/dbraw/zinc/94/71/58/519947158.db2.gz VTAIELINZQXUGT-AOWWYSRTSA-N 0 2 411.314 4.898 40 10 HJCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(Cl)c3Cl)C2=O)c1 ZINC000408742723 557808854 /nfs/dbraw/zinc/80/88/54/557808854.db2.gz XYZVIGOPBICGGH-QPEQYQDCSA-N 0 2 409.656 4.622 40 10 HJCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(SCc4ccco4)o3)C2=O)cc1 ZINC000033247984 558916636 /nfs/dbraw/zinc/91/66/36/558916636.db2.gz IHYNCTQDTAHGHO-GZTJUZNOSA-N 0 2 408.435 4.980 40 10 HJCBLN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000408803155 560643019 /nfs/dbraw/zinc/64/30/19/560643019.db2.gz LUCFZELTAGLDHL-CPNJWEJPSA-N 0 2 420.852 4.558 40 10 HJCBLN CC[C@H](C)n1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21 ZINC000408893539 560650400 /nfs/dbraw/zinc/65/04/00/560650400.db2.gz BAFGIYFWYWVWGB-RSZPVBOMSA-N 0 2 415.493 4.896 40 10 HJCBLN CCCc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccc(C(=O)OCC)cc1 ZINC000103918916 560734869 /nfs/dbraw/zinc/73/48/69/560734869.db2.gz MRQZMZYXHLEKBY-QNGOZBTKSA-N 0 2 409.461 4.891 40 10 HJCBLN COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl ZINC000223241361 568542278 /nfs/dbraw/zinc/54/22/78/568542278.db2.gz FMSRPDSBPKKHEX-UHFFFAOYSA-N 0 2 415.323 4.926 40 10 HJCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000059137192 568701351 /nfs/dbraw/zinc/70/13/51/568701351.db2.gz GHHLONHQGKIAPC-RGVLZGJSSA-N 0 2 421.403 4.879 40 10 HJCBLN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1C=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000408529212 557294655 /nfs/dbraw/zinc/29/46/55/557294655.db2.gz HFZTXJGAHHBJTM-ZROIWOOFSA-N 0 2 405.241 4.929 40 10 HJCBLN Cc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1[N+](=O)[O-] ZINC000017092075 558820615 /nfs/dbraw/zinc/82/06/15/558820615.db2.gz RSCCJZDWCKPHRS-XFFZJAGNSA-N 0 2 420.208 4.717 40 10 HJCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccccc1Cc1ccccc1Cl ZINC000408877567 560649475 /nfs/dbraw/zinc/64/94/75/560649475.db2.gz VUFBVALLJWQPPT-HMMYKYKNSA-N 0 2 416.864 4.597 40 10 HJCBLN CCCc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(OC)cc1OC ZINC000112286393 560777854 /nfs/dbraw/zinc/77/78/54/560777854.db2.gz PQBRYRBQXOPMDI-JCMHNJIXSA-N 0 2 409.486 4.601 40 10 HJCBLN O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)C1=Cc1ccc(N2CCCC2)o1 ZINC000059138528 568701508 /nfs/dbraw/zinc/70/15/08/568701508.db2.gz GNFKIQQQEGMAHY-JLHYYAGUSA-N 0 2 420.252 4.693 40 10 HJCBLN CC[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000107966952 569361279 /nfs/dbraw/zinc/36/12/79/569361279.db2.gz OPKCZLGFMXILBR-CDCQXCROSA-N 0 2 405.281 4.632 40 10 HJCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000001899776 132248480 /nfs/dbraw/zinc/24/84/80/132248480.db2.gz SJTGIHGCRKYWMP-LDADJPATSA-N 0 2 421.403 4.879 40 10 HJCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1C ZINC000408851064 560647256 /nfs/dbraw/zinc/64/72/56/560647256.db2.gz VNTZWWIYMZLPJP-XDHOZWIPSA-N 0 2 420.852 4.883 40 10 HJCBLN Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)o1 ZINC000408913740 560653662 /nfs/dbraw/zinc/65/36/62/560653662.db2.gz NJYVKEJQEMOTIJ-WOJGMQOQSA-N 0 2 424.815 4.714 40 10 HJCBLN CCCCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000409003092 560664091 /nfs/dbraw/zinc/66/40/91/560664091.db2.gz DGEQUPFHEJCXNW-PGMHBOJBSA-N 0 2 414.461 4.685 40 10 HJCBLN COc1ccc(F)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000010302085 569343320 /nfs/dbraw/zinc/34/33/20/569343320.db2.gz BINMORUGQUBNGE-UHFFFAOYSA-N 0 2 419.861 4.520 40 10 HJCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000008557338 132330314 /nfs/dbraw/zinc/33/03/14/132330314.db2.gz MBJHPHBCKZUNPV-PDGQHHTCSA-N 0 2 406.825 4.575 40 10 HJCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cccn2-c2ccc3ccccc3c2)C1=O ZINC000009265354 132337922 /nfs/dbraw/zinc/33/79/22/132337922.db2.gz NLCSUXVGAKCSIK-JWGURIENSA-N 0 2 421.456 4.605 40 10 HJCBLN CCn1c2ccccc2c2cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)ccc21 ZINC000408899779 560651073 /nfs/dbraw/zinc/65/10/73/560651073.db2.gz QGYSDZRENDECJD-RCCKNPSSSA-N 0 2 423.472 4.789 40 10 HJCBLN CCCc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(C(=O)OCC)cc1 ZINC000103918911 560734900 /nfs/dbraw/zinc/73/49/00/560734900.db2.gz JGCIJSWMUSWVTG-JWGURIENSA-N 0 2 421.497 4.761 40 10 HJCBLN COC(=O)c1ccc(NC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000017088862 560863838 /nfs/dbraw/zinc/86/38/38/560863838.db2.gz OCDDMUPPXMYINU-XLNRJJMWSA-N 0 2 411.461 4.610 40 10 HJCBLN COC(=O)c1ccc(N=C(C)c2c(-c3ccccc3)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000017088862 560863840 /nfs/dbraw/zinc/86/38/40/560863840.db2.gz OCDDMUPPXMYINU-XLNRJJMWSA-N 0 2 411.461 4.610 40 10 HJCBLN CC[C@@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(CC)CC)cc3)C2=O)cc1 ZINC000002215456 569310484 /nfs/dbraw/zinc/31/04/84/569310484.db2.gz OTCLIHGIDCLIND-FIOICXDGSA-N 0 2 419.525 4.713 40 10 HJCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(F)c(N4CCCC4)cc3C)C2=O)c1C ZINC000033702448 569360301 /nfs/dbraw/zinc/36/03/01/569360301.db2.gz OIIHWOMTODNVMA-LDADJPATSA-N 0 2 421.472 4.858 40 10 HJCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(F)c(N4CCCC4)cc3C)C2=O)cc1 ZINC000033651219 569360357 /nfs/dbraw/zinc/36/03/57/569360357.db2.gz RZWDGCJYJUSSCS-LDADJPATSA-N 0 2 407.445 4.549 40 10 HJCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(C)c1O ZINC000038163798 569360754 /nfs/dbraw/zinc/36/07/54/569360754.db2.gz UUABRQHKSVLBSE-XYOKQWHBSA-N 0 2 405.237 4.823 40 10 HJCBLN O=C1C=CC(=NNc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2cccnc21 ZINC000018206232 558833353 /nfs/dbraw/zinc/83/33/53/558833353.db2.gz IOROHHFNXSCMPV-WCWDXBQESA-N 0 2 405.439 4.552 40 10 HJCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(Sc4ccccc4)o3)C2=O)c1C ZINC000408760974 559276084 /nfs/dbraw/zinc/27/60/84/559276084.db2.gz BPFXWWGMHHZEDK-QGOAFFKASA-N 0 2 418.474 4.714 40 10 HJCBLN CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O ZINC000408806363 560642587 /nfs/dbraw/zinc/64/25/87/560642587.db2.gz IXANWQZFQNBNSU-RCCKNPSSSA-N 0 2 414.461 4.603 40 10 HJCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3Cc3cc(C)cc(C)c3)C2=O)cc1 ZINC000408868362 560648747 /nfs/dbraw/zinc/64/87/47/560648747.db2.gz PSWYCQJSGKLSCU-LFVJCYFKSA-N 0 2 424.500 4.869 40 10 HJCBLN CC[C@@H](C)n1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 ZINC000408895210 560650645 /nfs/dbraw/zinc/65/06/45/560650645.db2.gz CYQJUDCXWTYMLG-RBYWHNRPSA-N 0 2 401.466 4.587 40 10 HJCBLN COc1cc(N=C(C)C2C(=O)N(c3ccc(F)cc3)N=C2C)c(OC)cc1Cl ZINC000112125631 560776682 /nfs/dbraw/zinc/77/66/82/560776682.db2.gz LAOVXYFSKKASLK-ODLFYWEKSA-N 0 2 403.841 4.605 40 10 HJCBLN COc1cc(N=C(C)c2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c(OC)cc1Cl ZINC000112125631 560776683 /nfs/dbraw/zinc/77/66/83/560776683.db2.gz LAOVXYFSKKASLK-ODLFYWEKSA-N 0 2 403.841 4.605 40 10 HJCBLN CCCc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cc(OC)ccc1OC ZINC000112286563 560777894 /nfs/dbraw/zinc/77/78/94/560777894.db2.gz DMPCGQAMJAVIBB-JCMHNJIXSA-N 0 2 409.486 4.601 40 10 HJCBLN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1C(C)=Nc1cc(OC)ccc1OC ZINC000112286563 560777895 /nfs/dbraw/zinc/77/78/95/560777895.db2.gz DMPCGQAMJAVIBB-JCMHNJIXSA-N 0 2 409.486 4.601 40 10 HJCBLN COc1ccc(OC)c(N=C(C)c2c(-c3ccccc3)[nH]n(-c3ccccc3)c2=O)c1 ZINC000017089562 560864339 /nfs/dbraw/zinc/86/43/39/560864339.db2.gz BAENJGPEILCXOS-QJOMJCCJSA-N 0 2 413.477 4.841 40 10 HJCBLN Cc1nn(C)c(C)c1N=Cc1c(C)[nH]n(-c2c(Cl)cc(Cl)cc2Cl)c1=O ZINC000408755918 557817565 /nfs/dbraw/zinc/81/75/65/557817565.db2.gz GIWPVKVDFXZFKU-KPKJPENVSA-N 0 2 412.708 4.716 40 10 HJCBLN Cc1nn(C)c(C)c1N=CC1C(=O)N(c2c(Cl)cc(Cl)cc2Cl)N=C1C ZINC000408755918 557817568 /nfs/dbraw/zinc/81/75/68/557817568.db2.gz GIWPVKVDFXZFKU-KPKJPENVSA-N 0 2 412.708 4.716 40 10 HJCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000408990738 560662204 /nfs/dbraw/zinc/66/22/04/560662204.db2.gz YKFIVVHCOUGWJG-SDQBBNPISA-N 0 2 409.656 4.622 40 10 HJCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2c(Cl)cccc2Cl)C1=O ZINC000409218634 560697892 /nfs/dbraw/zinc/69/78/92/560697892.db2.gz WPJIWIOFXBKQPR-XYOKQWHBSA-N 0 2 409.656 4.622 40 10 HJCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cn(C(C)C)c3ccccc23)C1=O ZINC000409247175 560701604 /nfs/dbraw/zinc/70/16/04/560701604.db2.gz GROOVHQXPNHCKJ-GZTJUZNOSA-N 0 2 421.884 4.850 40 10 HJCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1OCc1ccccc1 ZINC000059135626 568701219 /nfs/dbraw/zinc/70/12/19/568701219.db2.gz DZLLQIYGQXODBL-XSFVSMFZSA-N 0 2 416.408 4.911 40 10 HJCBLN O=C1NC(=O)N(c2cccc3ccccc32)C(=O)C1=CNc1ccc2ccccc2c1 ZINC000408537597 557348796 /nfs/dbraw/zinc/34/87/96/557348796.db2.gz GDHBYAHVFJOXRF-RCCKNPSSSA-N 0 2 407.429 4.572 40 10 HJCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3c4ccccc4cc4ccccc43)C2=O)cc1 ZINC000408740410 557806149 /nfs/dbraw/zinc/80/61/49/557806149.db2.gz KCUDYIKQIKTSOG-HAHDFKILSA-N 0 2 422.440 4.668 40 10 HJCBLN COc1ccc2ccccc2c1C=C1C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000083318973 558833673 /nfs/dbraw/zinc/83/36/73/558833673.db2.gz UUOGTQOONIEITN-DEDYPNTBSA-N 0 2 400.434 4.972 40 10 HJCBLN Cn1c2ccccc2c(O)c(C2=Nc3ccccc3N[C@@H](c3ccccc3O)C2)c1=O ZINC000104827589 559161690 /nfs/dbraw/zinc/16/16/90/559161690.db2.gz OZDZDKSFNANSLU-LJQANCHMSA-N 0 2 411.461 4.627 40 10 HJCBLN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O ZINC000408802339 560642762 /nfs/dbraw/zinc/64/27/62/560642762.db2.gz ZHCQCEADQNUOPT-XSFVSMFZSA-N 0 2 414.461 4.522 40 10 HJCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000409078928 560674409 /nfs/dbraw/zinc/67/44/09/560674409.db2.gz JFZPZDABFSTOIR-ATVHPVEESA-N 0 2 424.865 4.751 40 10 HJCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3cccc(F)c3)o2)C1=O ZINC000409222471 560698824 /nfs/dbraw/zinc/69/88/24/560698824.db2.gz XGXMZMJPEGUZAZ-LFIBNONCSA-N 0 2 424.815 4.714 40 10 HJCBLN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)o2)cc1 ZINC000059336648 568705113 /nfs/dbraw/zinc/70/51/13/568705113.db2.gz NKGYWDJJCNPRKD-LDADJPATSA-N 0 2 422.437 4.545 40 10 HJCBLN CCCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000059860784 568709229 /nfs/dbraw/zinc/70/92/29/568709229.db2.gz NPPQLUZAWOKKDV-SFQUDFHCSA-N 0 2 408.454 4.608 40 10 HJCBLN Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C(C)C ZINC000009263165 132337800 /nfs/dbraw/zinc/33/78/00/132337800.db2.gz VUQKVESYGRULNK-ZROIWOOFSA-N 0 2 420.296 4.659 40 10 HJCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(Cl)cc2Cl)C1=O ZINC000409217562 560697598 /nfs/dbraw/zinc/69/75/98/560697598.db2.gz QCBKXVAAEMXTRO-KPKJPENVSA-N 0 2 409.656 4.622 40 10 HJCBLN CC[C@H](C)n1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 ZINC000408895213 560650637 /nfs/dbraw/zinc/65/06/37/560650637.db2.gz CYQJUDCXWTYMLG-UOEVCUDDSA-N 0 2 401.466 4.587 40 10 HJCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Sc4ccccc4)o3)C2=O)cc1 ZINC000002211115 536183795 /nfs/dbraw/zinc/18/37/95/536183795.db2.gz WJNBAZUTAPAPDG-XMHGGMMESA-N 0 2 418.474 4.660 40 10 HJCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 ZINC000408765955 560629991 /nfs/dbraw/zinc/62/99/91/560629991.db2.gz SCZOUEXBFIRVEF-SFQUDFHCSA-N 0 2 424.865 4.751 40 10 HJCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3c(OC(C)C)ccc4ccccc43)C2=O)c1 ZINC000408813755 560644942 /nfs/dbraw/zinc/64/49/42/560644942.db2.gz YLGOWHVXZSRBFV-KGENOOAVSA-N 0 2 414.461 4.602 40 10 HJCBLN Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)c1 ZINC000408865927 560648338 /nfs/dbraw/zinc/64/83/38/560648338.db2.gz DYFVWNATGARWMW-XQNSMLJCSA-N 0 2 410.473 4.561 40 10 HJCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc2[nH]c3ccccc3c2c1 ZINC000408898368 560651691 /nfs/dbraw/zinc/65/16/91/560651691.db2.gz LSQSCKWWXIHJJJ-LDADJPATSA-N 0 2 415.836 4.641 40 10 HJCBLN O=C(Nc1ccccc1)c1c(NS(=O)(=O)c2ccccc2)sc2c1CCCC2 ZINC000409072640 560673479 /nfs/dbraw/zinc/67/34/79/560673479.db2.gz QXOFCTNZXLFMBY-UHFFFAOYSA-N 0 2 412.536 4.680 40 10 HJCBLN COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408586828 557493349 /nfs/dbraw/zinc/49/33/49/557493349.db2.gz RPPMMDAQGFIVCT-UHFFFAOYSA-N 0 2 415.898 4.689 40 10 HJCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3c4ccccc4cc4ccccc43)C2=O)c1 ZINC000408740810 557806552 /nfs/dbraw/zinc/80/65/52/557806552.db2.gz MUSWJFYHESAEKU-HAHDFKILSA-N 0 2 406.441 4.968 40 10 HJCBLN CC1=NN(c2ccc(C)cc2)C(=O)C1C=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000100929751 559141926 /nfs/dbraw/zinc/14/19/26/559141926.db2.gz XSGZITZPIYAROS-ZROIWOOFSA-N 0 2 405.241 4.929 40 10 HJCBLN CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000408805864 560643409 /nfs/dbraw/zinc/64/34/09/560643409.db2.gz LXFFORJRKKBYOM-HMMYKYKNSA-N 0 2 414.461 4.603 40 10 HJCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(C4CCCCC4)c3C)C2=O)cc1 ZINC000408984528 560661925 /nfs/dbraw/zinc/66/19/25/560661925.db2.gz IVQOAYDCBHHPMQ-JCMHNJIXSA-N 0 2 419.525 4.839 40 10 HJCBLN COc1ccc(-c2[nH]n(-c3ccc(F)cc3)c(=O)c2C(C)=Nc2cccc(C)n2)cc1 ZINC000103921417 560735146 /nfs/dbraw/zinc/73/51/46/560735146.db2.gz OIDUETHTDXQIRC-JWGURIENSA-N 0 2 416.456 4.675 40 10 HJCBLN