smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(Br)c(O)c(Br)c(O)c1C=Nn1c(=S)[nH]nc1-c1ccccc1 ZINC000003043755 194215921 /nfs/dbraw/zinc/21/59/21/194215921.db2.gz LIIOXXPNLAVAQU-FBCYGCLPSA-N 0 2 484.173 4.735 40 30 JJEBLN COc1cccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000012621721 195057284 /nfs/dbraw/zinc/05/72/84/195057284.db2.gz JCCLXFVAGCRVFA-OEAKJJBVSA-N 0 2 474.926 4.894 40 30 JJEBLN C=CCOc1ccc(C=C2C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc1OCC ZINC000059104766 195388295 /nfs/dbraw/zinc/38/82/95/195388295.db2.gz SMVUSEXBROGNGS-XMHGGMMESA-N 0 2 480.517 4.954 40 30 JJEBLN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cc(Br)c(O)c(Br)c1 ZINC000059105682 195388717 /nfs/dbraw/zinc/38/87/17/195388717.db2.gz HHPVWOTUEWAMNO-NTUHNPAUSA-N 0 2 472.133 4.948 40 30 JJEBLN C#CCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000059198213 195394543 /nfs/dbraw/zinc/39/45/43/195394543.db2.gz IBEDIPVDWKJOQE-OQLLNIDSSA-N 0 2 489.709 4.630 40 30 JJEBLN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccc(C)cc3)N(Cc3ccccn3)C2=O)cc1 ZINC000003298429 518364602 /nfs/dbraw/zinc/36/46/02/518364602.db2.gz IBVISWFXMBSHKI-XMQMNSMNSA-N 0 2 472.570 4.753 40 30 JJEBLN CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccccn3)C2=O)cc1 ZINC000003298429 518364609 /nfs/dbraw/zinc/36/46/09/518364609.db2.gz IBVISWFXMBSHKI-XMQMNSMNSA-N 0 2 472.570 4.753 40 30 JJEBLN CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\N=C1\NC(=O)C(CC(=O)Nc3cccc(C(F)(F)F)c3)S1)C2 ZINC000010130823 520640156 /nfs/dbraw/zinc/64/01/56/520640156.db2.gz XXWMHCISGMYXJS-CPNLHHLQSA-N 0 2 466.529 4.824 40 30 JJEBLN CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)S1)C2 ZINC000010130823 520640177 /nfs/dbraw/zinc/64/01/77/520640177.db2.gz XXWMHCISGMYXJS-CPNLHHLQSA-N 0 2 466.529 4.824 40 30 JJEBLN CC1(C)[C@H]2CC[C@]1(C)/C(=N\N=C1\NC(=O)C(CC(=O)Nc3cccc(C(F)(F)F)c3)S1)C2 ZINC000012393548 520682868 /nfs/dbraw/zinc/68/28/68/520682868.db2.gz XXWMHCISGMYXJS-XRNKZFECSA-N 0 2 466.529 4.824 40 30 JJEBLN CC1(C)[C@H]2CC[C@]1(C)/C(=N\N=C1\NC(=O)[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)S1)C2 ZINC000012393548 520682882 /nfs/dbraw/zinc/68/28/82/520682882.db2.gz XXWMHCISGMYXJS-XRNKZFECSA-N 0 2 466.529 4.824 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1c(F)cccc1F ZINC000033699810 524641646 /nfs/dbraw/zinc/64/16/46/524641646.db2.gz DJOJEUGSIGIKNZ-CFRMEGHHSA-N 0 2 476.461 4.519 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1c(F)cccc1F ZINC000015912957 524641677 /nfs/dbraw/zinc/64/16/77/524641677.db2.gz DJOJEUGSIGIKNZ-ZMOGYAJESA-N 0 2 476.461 4.519 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NCc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000009097214 524643593 /nfs/dbraw/zinc/64/35/93/524643593.db2.gz PUDFWOPMPICKOG-DHRITJCHSA-N 0 2 494.451 4.869 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC(C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000033412162 524646105 /nfs/dbraw/zinc/64/61/05/524646105.db2.gz GQPXRZGIZUEPCQ-UCQKPKSFSA-N 0 2 474.926 4.894 40 30 JJEBLN COc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 ZINC000102406945 536782803 /nfs/dbraw/zinc/78/28/03/536782803.db2.gz CVBPOPQTGBRDJH-WNMDNWPKSA-N 0 2 459.571 4.898 40 30 JJEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 ZINC000102406945 536782809 /nfs/dbraw/zinc/78/28/09/536782809.db2.gz CVBPOPQTGBRDJH-WNMDNWPKSA-N 0 2 459.571 4.898 40 30 JJEBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000009324236 555097047 /nfs/dbraw/zinc/09/70/47/555097047.db2.gz BHRVRNCQCBDXSC-ODLFYWEKSA-N 0 2 458.543 4.619 40 30 JJEBLN O=[N+]([O-])c1ccc(O)c(C=NNc2nc(-c3ccc(Br)cc3)nc3c2CCCC3)c1 ZINC000013563130 555498137 /nfs/dbraw/zinc/49/81/37/555498137.db2.gz MLHLITRHAOJKSG-FSJBWODESA-N 0 2 468.311 4.845 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC(C)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000012564995 556061413 /nfs/dbraw/zinc/06/14/13/556061413.db2.gz IZVJAHBFTNUTCB-OEAKJJBVSA-N 0 2 474.926 4.894 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccccc1Cl ZINC000012570095 556073214 /nfs/dbraw/zinc/07/32/14/556073214.db2.gz WCFBIOYUWKOOOI-OEAKJJBVSA-N 0 2 474.926 4.894 40 30 JJEBLN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccc(C)cc3)N(Cc3ccccn3)C2=O)cc1 ZINC000102961695 569830063 /nfs/dbraw/zinc/83/00/63/569830063.db2.gz IBVISWFXMBSHKI-SSTAQYRCSA-N 0 2 472.570 4.753 40 30 JJEBLN CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(Cc3ccccn3)C2=O)cc1 ZINC000102961695 569830064 /nfs/dbraw/zinc/83/00/64/569830064.db2.gz IBVISWFXMBSHKI-SSTAQYRCSA-N 0 2 472.570 4.753 40 30 JJEBLN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=N[N-]c2nc(Nc3ccccc3)nc(N3CCCC3)[nH+]2)o1 ZINC000408725352 570028005 /nfs/dbraw/zinc/02/80/05/570028005.db2.gz FMTXDYMQLIORHO-WGOQTCKBSA-N 0 2 484.520 4.560 40 30 JJEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1CC=C ZINC000408762196 570037141 /nfs/dbraw/zinc/03/71/41/570037141.db2.gz NOFBQXSCRHWARN-XMHGGMMESA-N 0 2 481.346 4.717 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCC ZINC000408777809 570040687 /nfs/dbraw/zinc/04/06/87/570040687.db2.gz JICXYCHLZRYICC-CPNJWEJPSA-N 0 2 454.910 4.532 40 30 JJEBLN C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000408778294 570040820 /nfs/dbraw/zinc/04/08/20/570040820.db2.gz SDEHMFXDNNLUON-LFVJCYFKSA-N 0 2 455.514 4.634 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br ZINC000408789032 570043692 /nfs/dbraw/zinc/04/36/92/570043692.db2.gz IGLSCVNPMLCATI-OQLLNIDSSA-N 0 2 475.726 4.642 40 30 JJEBLN C=CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000408803994 570046757 /nfs/dbraw/zinc/04/67/57/570046757.db2.gz BPDOBYPIENCAGZ-MHWRWJLKSA-N 0 2 475.726 4.642 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000408806997 570047908 /nfs/dbraw/zinc/04/79/08/570047908.db2.gz CLKJCNLGYGXQOW-NTEUORMPSA-N 0 2 461.301 4.542 40 30 JJEBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408814690 570050088 /nfs/dbraw/zinc/05/00/88/570050088.db2.gz PYMLUBZNXKGRKK-FYJGNVAPSA-N 0 2 484.581 4.881 40 30 JJEBLN C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O ZINC000408836506 570053169 /nfs/dbraw/zinc/05/31/69/570053169.db2.gz RWVRVHBWDAGMFW-XQNSMLJCSA-N 0 2 486.911 4.597 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br ZINC000408846360 570054567 /nfs/dbraw/zinc/05/45/67/570054567.db2.gz JWFLPSGIMVUTQE-CXUHLZMHSA-N 0 2 489.753 4.951 40 30 JJEBLN C=CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1OCC ZINC000408868201 570058714 /nfs/dbraw/zinc/05/87/14/570058714.db2.gz MXOIEHREUIBJIV-ATVHPVEESA-N 0 2 499.361 4.641 40 30 JJEBLN C=CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(OCCCC)cc2)C1=O ZINC000408895752 570067021 /nfs/dbraw/zinc/06/70/21/570067021.db2.gz FMOZQBAGTHCYPP-HKWRFOASSA-N 0 2 454.910 4.750 40 30 JJEBLN C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Cl ZINC000408898424 570067772 /nfs/dbraw/zinc/06/77/72/570067772.db2.gz MEQLDTKYTLAPPM-GDNBJRDFSA-N 0 2 475.726 4.642 40 30 JJEBLN C=CCn1c(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000408900509 570068302 /nfs/dbraw/zinc/06/83/02/570068302.db2.gz TZFNQCLHJXDZLC-CPNJWEJPSA-N 0 2 464.319 4.565 40 30 JJEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl ZINC000409041463 570107612 /nfs/dbraw/zinc/10/76/12/570107612.db2.gz JMIFBOPCZIFKSV-MDWZMJQESA-N 0 2 463.704 4.634 40 30 JJEBLN C=CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000409043112 570107954 /nfs/dbraw/zinc/10/79/54/570107954.db2.gz PVTQZVPDUVZINQ-OQLLNIDSSA-N 0 2 496.144 4.987 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1Cl ZINC000409050131 570109680 /nfs/dbraw/zinc/10/96/80/570109680.db2.gz ZEQPWBVUQJOLNY-MHWRWJLKSA-N 0 2 461.301 4.623 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCCC ZINC000409064198 570115677 /nfs/dbraw/zinc/11/56/77/570115677.db2.gz CLRJNWSNVKBWAP-NBVRZTHBSA-N 0 2 468.937 4.922 40 30 JJEBLN C=CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OCC ZINC000409064904 570115928 /nfs/dbraw/zinc/11/59/28/570115928.db2.gz IYMGNGIUCHZCHT-NBVRZTHBSA-N 0 2 466.921 4.698 40 30 JJEBLN N#Cc1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)o1 ZINC000409078617 570120859 /nfs/dbraw/zinc/12/08/59/570120859.db2.gz IZZAKQQGTFCCCN-XNTDXEJSSA-N 0 2 452.253 4.791 40 30 JJEBLN Oc1cc(Cl)ccc1/N=C\c1cc(Br)cc(I)c1O ZINC000409104255 570129469 /nfs/dbraw/zinc/12/94/69/570129469.db2.gz GXJWLCIZBSRZTD-FMQZQXMHSA-N 0 2 452.473 4.869 40 30 JJEBLN Cc1ccc(-c2ccc(C=N[N-]c3nc(Nc4ccccc4)nc(N4CCCCC4)[nH+]3)o2)c([N+](=O)[O-])c1 ZINC000409211813 570170316 /nfs/dbraw/zinc/17/03/16/570170316.db2.gz OIOVSUOHFOTLJG-WPWMEQJKSA-N 0 2 498.547 4.950 40 30 JJEBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cn(Cc3ccccc3C#N)c3ccccc23)C1=O ZINC000409231249 570177745 /nfs/dbraw/zinc/17/77/45/570177745.db2.gz JBSDAVLJJCPXNY-HZHRSRAPSA-N 0 2 490.519 4.626 40 30 JJEBLN CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1)c1ccccc1O ZINC000012623463 195058141 /nfs/dbraw/zinc/05/81/41/195058141.db2.gz PGHKESRONVNZDT-LPYMAVHISA-N 0 2 460.899 4.591 40 30 JJEBLN C/C(=N\N=C1\NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1)c1cccc2ccccc21 ZINC000016136725 518460852 /nfs/dbraw/zinc/46/08/52/518460852.db2.gz YVHLPFKKNUFGPN-SODVTCOWSA-N 0 2 495.402 4.943 40 30 JJEBLN C/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S1)c1cccc2ccccc21 ZINC000016136725 518460861 /nfs/dbraw/zinc/46/08/61/518460861.db2.gz YVHLPFKKNUFGPN-SODVTCOWSA-N 0 2 495.402 4.943 40 30 JJEBLN Cc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 ZINC000016661818 525089274 /nfs/dbraw/zinc/08/92/74/525089274.db2.gz HOUMUCHJDBIVGQ-GOTSBPSXSA-N 0 2 499.658 4.654 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NCc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000012561828 556055506 /nfs/dbraw/zinc/05/55/06/556055506.db2.gz KUXPQIBIRQBBJY-DHRITJCHSA-N 0 2 494.451 4.869 40 30 JJEBLN CCN1C(=O)C(=CNc2ccccc2)S/C1=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000018207114 556310027 /nfs/dbraw/zinc/31/00/27/556310027.db2.gz RJKLMVFGIBFCOY-MXQULWKESA-N 0 2 466.548 4.950 40 30 JJEBLN CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2)S/C1=N/c1cc(Cl)c(O)c(Cl)c1 ZINC000101597400 569801720 /nfs/dbraw/zinc/80/17/20/569801720.db2.gz OXMOUMZNESLHBN-CLXZYQIKSA-N 0 2 452.363 4.988 40 30 JJEBLN COc1ccc(Cl)cc1/N=C1/SC(CC(=O)Nc2cc(Cl)ccc2C)C(=O)N1C ZINC000101650486 569802436 /nfs/dbraw/zinc/80/24/36/569802436.db2.gz IDXJIONVYIXOMM-OCLJWFPGSA-N 0 2 452.363 4.901 40 30 JJEBLN COc1ccc(Cl)cc1/N=C1/S[C@H](CC(=O)Nc2cc(Cl)ccc2C)C(=O)N1C ZINC000101650486 569802438 /nfs/dbraw/zinc/80/24/38/569802438.db2.gz IDXJIONVYIXOMM-OCLJWFPGSA-N 0 2 452.363 4.901 40 30 JJEBLN COc1ccc(Cl)cc1/N=C1/SC(CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1C ZINC000101650477 569802557 /nfs/dbraw/zinc/80/25/57/569802557.db2.gz YTZHDQBYWVDPAB-OCLJWFPGSA-N 0 2 452.363 4.901 40 30 JJEBLN COc1ccc(Cl)cc1/N=C1/S[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1C ZINC000101650477 569802559 /nfs/dbraw/zinc/80/25/59/569802559.db2.gz YTZHDQBYWVDPAB-OCLJWFPGSA-N 0 2 452.363 4.901 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OC)c1OCC ZINC000408754590 570035237 /nfs/dbraw/zinc/03/52/37/570035237.db2.gz KWPMNUAPVPIQMJ-LDADJPATSA-N 0 2 499.361 4.560 40 30 JJEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OCC ZINC000408773632 570039606 /nfs/dbraw/zinc/03/96/06/570039606.db2.gz WBOWOZQVBUQFLZ-XNTDXEJSSA-N 0 2 494.853 4.989 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OCC ZINC000408800564 570045304 /nfs/dbraw/zinc/04/53/04/570045304.db2.gz PRBKDMDBUJOZSN-GZTJUZNOSA-N 0 2 454.910 4.587 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1OCC ZINC000408805904 570047575 /nfs/dbraw/zinc/04/75/75/570047575.db2.gz IEXLOUYWWLXQHZ-GZTJUZNOSA-N 0 2 454.910 4.587 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000408812858 570049567 /nfs/dbraw/zinc/04/95/67/570049567.db2.gz NOBUNAVJMJAJFT-NTUHNPAUSA-N 0 2 481.719 4.887 40 30 JJEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000408813809 570049796 /nfs/dbraw/zinc/04/97/96/570049796.db2.gz OXAFDZOLLAFSHG-MDWZMJQESA-N 0 2 451.693 4.878 40 30 JJEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000408823653 570052234 /nfs/dbraw/zinc/05/22/34/570052234.db2.gz OEUVJKNKDSPNGA-LFVJCYFKSA-N 0 2 486.911 4.597 40 30 JJEBLN O=C1NC(=Nc2ccccc2F)S/C1=C\c1cc(Br)c(O)c(Br)c1 ZINC000408860834 570057317 /nfs/dbraw/zinc/05/73/17/570057317.db2.gz GEDYFZLYNHWHAS-QPEQYQDCSA-N 0 2 472.133 4.948 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1OCC ZINC000408871174 570059686 /nfs/dbraw/zinc/05/96/86/570059686.db2.gz WIQSIDCIPCTBNK-ATVHPVEESA-N 0 2 454.910 4.532 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1Br ZINC000408982362 570091191 /nfs/dbraw/zinc/09/11/91/570091191.db2.gz GPTFGKCWGJSCTD-YBEGLDIGSA-N 0 2 489.753 4.896 40 30 JJEBLN C=CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC ZINC000408985136 570091984 /nfs/dbraw/zinc/09/19/84/570091984.db2.gz VRHUONYDTLXMHN-PDGQHHTCSA-N 0 2 499.361 4.641 40 30 JJEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4C#N)cc3)C2=O)cc1Cl ZINC000408989273 570093371 /nfs/dbraw/zinc/09/33/71/570093371.db2.gz TYAFWUKZWUJPAH-UUYOSTAYSA-N 0 2 471.900 4.766 40 30 JJEBLN CN1C2=C(C(=O)CCC2)C(c2cc(Br)c(O)c(Br)c2)C2=C1CCCC2=O ZINC000409030594 570105706 /nfs/dbraw/zinc/10/57/06/570105706.db2.gz GLBSUPLJALCVOF-UHFFFAOYSA-N 0 2 481.184 4.960 40 30 JJEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Cl ZINC000409049131 570109468 /nfs/dbraw/zinc/10/94/68/570109468.db2.gz UXLRDXSFIGDBCD-VGOFMYFVSA-N 0 2 463.704 4.634 40 30 JJEBLN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O ZINC000409052698 570110441 /nfs/dbraw/zinc/11/04/41/570110441.db2.gz JFAXCRXSXSXDFS-GDNBJRDFSA-N 0 2 464.326 4.561 40 30 JJEBLN C=CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC ZINC000409065556 570116225 /nfs/dbraw/zinc/11/62/25/570116225.db2.gz HNYCTVCNLRRJDL-XDHOZWIPSA-N 0 2 466.921 4.617 40 30 JJEBLN Cc1ccc(-c2ccc(C=N[N-]c3nc(Nc4ccccc4)nc(N4CCCC4)[nH+]3)o2)c([N+](=O)[O-])c1 ZINC000409212767 570170673 /nfs/dbraw/zinc/17/06/73/570170673.db2.gz QZOOSSBMQCHVIR-WGOQTCKBSA-N 0 2 484.520 4.560 40 30 JJEBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000409221265 570174474 /nfs/dbraw/zinc/17/44/74/570174474.db2.gz NREILUIIZFCTCY-UDWIEESQSA-N 0 2 458.905 4.594 40 30 JJEBLN C=CCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000059105160 195388567 /nfs/dbraw/zinc/38/85/67/195388567.db2.gz SNIIPZLKUUWPGF-AWNIVKPZSA-N 0 2 461.257 4.794 40 30 JJEBLN C=CCOc1cc(Br)c(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000059135261 195389972 /nfs/dbraw/zinc/38/99/72/195389972.db2.gz CJYMQLVNJKARDZ-OQLLNIDSSA-N 0 2 475.270 4.668 40 30 JJEBLN C#CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1CC=C ZINC000059135569 195390381 /nfs/dbraw/zinc/39/03/81/195390381.db2.gz LHPOUKDYIOCWMY-LDADJPATSA-N 0 2 483.293 4.835 40 30 JJEBLN CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3C(C)C)C2=O)C(=O)c2cc(O)c(O)c(C(C)C)c2C1=O ZINC000043130142 520841627 /nfs/dbraw/zinc/84/16/27/520841627.db2.gz GYYXKPBLWDDQQK-UHFFFAOYSA-N 0 2 490.508 4.847 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC(C)c2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000033671766 524646278 /nfs/dbraw/zinc/64/62/78/524646278.db2.gz WTNLENVXSXZPOY-MTJSOVHGSA-N 0 2 480.955 4.955 40 30 JJEBLN COc1ccc(/C(C)=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)S2)cc1 ZINC000012529293 555998952 /nfs/dbraw/zinc/99/89/52/555998952.db2.gz NWUXALSFFUNXOX-WBFLIZMFSA-N 0 2 498.914 4.708 40 30 JJEBLN COc1ccc(/C(C)=N/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)S2)cc1 ZINC000012529293 555998955 /nfs/dbraw/zinc/99/89/55/555998955.db2.gz NWUXALSFFUNXOX-WBFLIZMFSA-N 0 2 498.914 4.708 40 30 JJEBLN CCCCNC(O)=NS(=O)(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000027563932 556297532 /nfs/dbraw/zinc/29/75/32/556297532.db2.gz HONZZDNGOXFIJO-UHFFFAOYSA-N 0 2 479.602 4.717 40 30 JJEBLN CCOc1ccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000062630767 569613842 /nfs/dbraw/zinc/61/38/42/569613842.db2.gz ASJMLZUKSYITKL-LFVJCYFKSA-N 0 2 484.534 4.639 40 30 JJEBLN COC(=O)c1ccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000101597897 569801726 /nfs/dbraw/zinc/80/17/26/569801726.db2.gz NQHIUBBCFQVAAB-ITTUZNGYSA-N 0 2 491.544 4.773 40 30 JJEBLN COC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000101597897 569801727 /nfs/dbraw/zinc/80/17/27/569801727.db2.gz NQHIUBBCFQVAAB-ITTUZNGYSA-N 0 2 491.544 4.773 40 30 JJEBLN CCOc1nnc(NS(=O)(=O)c2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2)s1 ZINC000101667900 569802746 /nfs/dbraw/zinc/80/27/46/569802746.db2.gz MXBKFNYEZZXMMU-AWQFTUOYSA-N 0 2 473.363 4.501 40 30 JJEBLN C=CCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)cc1Br ZINC000137667731 569865218 /nfs/dbraw/zinc/86/52/18/569865218.db2.gz HIAHZDNFSPSXJD-SFRCHEHXSA-N 0 2 450.383 4.846 40 30 JJEBLN COc1ccccc1N=C1NC(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)S1 ZINC000408720671 570026533 /nfs/dbraw/zinc/02/65/33/570026533.db2.gz BVXMJUTUDDUPEK-ZSOIEALJSA-N 0 2 484.169 4.817 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(OCC)c1OC ZINC000408765557 570037920 /nfs/dbraw/zinc/03/79/20/570037920.db2.gz MCBBQZXRPRMGAT-LDADJPATSA-N 0 2 499.361 4.560 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OCC ZINC000408809897 570048777 /nfs/dbraw/zinc/04/87/77/570048777.db2.gz SMHATBMNOAKTOH-GZTJUZNOSA-N 0 2 454.910 4.587 40 30 JJEBLN C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1=O ZINC000408824288 570052350 /nfs/dbraw/zinc/05/23/50/570052350.db2.gz GONKVYXTRZRSNL-CJLVFECKSA-N 0 2 486.911 4.597 40 30 JJEBLN C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O ZINC000408827086 570052529 /nfs/dbraw/zinc/05/25/29/570052529.db2.gz CGVQDRTWMWQGDP-LDADJPATSA-N 0 2 492.915 4.742 40 30 JJEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OC ZINC000408834749 570053016 /nfs/dbraw/zinc/05/30/16/570053016.db2.gz LSJUQBKAMOQXPR-LFVJCYFKSA-N 0 2 498.535 4.814 40 30 JJEBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000408843293 570053979 /nfs/dbraw/zinc/05/39/79/570053979.db2.gz DDGBPDGAGXQVSZ-SRZZPIQSSA-N 0 2 472.570 4.927 40 30 JJEBLN C=CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccc(OCCC)cc2)C1=O ZINC000408898369 570067776 /nfs/dbraw/zinc/06/77/76/570067776.db2.gz LSXAPALUXPIAQQ-QJOMJCCJSA-N 0 2 456.498 4.860 40 30 JJEBLN C#CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccc(OCCCC)cc2)C1=O ZINC000408901628 570068781 /nfs/dbraw/zinc/06/87/81/570068781.db2.gz ZGZSJKHXZYICGD-MOHJPFBDSA-N 0 2 468.509 4.697 40 30 JJEBLN C=CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c1 ZINC000408935123 570081179 /nfs/dbraw/zinc/08/11/79/570081179.db2.gz GUWUGQKFMBKRNF-XNTDXEJSSA-N 0 2 450.800 4.590 40 30 JJEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1O ZINC000408983007 570091301 /nfs/dbraw/zinc/09/13/01/570091301.db2.gz JOTULGFXHQKQFE-NVNXTCNLSA-N 0 2 475.726 4.511 40 30 JJEBLN C=CCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC ZINC000408984426 570091707 /nfs/dbraw/zinc/09/17/07/570091707.db2.gz QWEVGFCMRGBXGN-PDGQHHTCSA-N 0 2 499.361 4.641 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409046146 570108826 /nfs/dbraw/zinc/10/88/26/570108826.db2.gz IVSXFEOYDISKIN-VGOFMYFVSA-N 0 2 451.693 4.878 40 30 JJEBLN C#CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000409067420 570116920 /nfs/dbraw/zinc/11/69/20/570116920.db2.gz YAQFSWXLMIFCPW-LDADJPATSA-N 0 2 499.350 4.799 40 30 JJEBLN O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1cccc([N+](=O)[O-])c1O ZINC000409284558 570192185 /nfs/dbraw/zinc/19/21/85/570192185.db2.gz TZIZHFNOFCMXPO-UHFFFAOYSA-N 0 2 460.833 4.959 40 30 JJEBLN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O)c(Br)c1 ZINC000409294784 570194912 /nfs/dbraw/zinc/19/49/12/570194912.db2.gz BYCHXWSHGOFHLS-UHFFFAOYSA-N 0 2 485.563 4.725 40 30 JJEBLN O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1cccc([N+](=O)[O-])c1O ZINC000409312133 570199249 /nfs/dbraw/zinc/19/92/49/570199249.db2.gz DBIPSJMVABEZMK-UHFFFAOYSA-N 0 2 471.311 4.703 40 30 JJEBLN O=C1c2ccccc2C(=O)C1=C1c2ccccc2C(O)=C1c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004265532 194386744 /nfs/dbraw/zinc/38/67/44/194386744.db2.gz YMBWUGFPQGCOEU-HXUWFJFHSA-N 0 2 474.812 4.969 40 30 JJEBLN C#CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OCC ZINC000059135489 195390244 /nfs/dbraw/zinc/39/02/44/195390244.db2.gz PLUFKKXWOOVZEK-MHWRWJLKSA-N 0 2 487.281 4.506 40 30 JJEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC#N ZINC000059135564 195390392 /nfs/dbraw/zinc/39/03/92/195390392.db2.gz UJHIDENOPCJUIB-GZTJUZNOSA-N 0 2 484.281 4.726 40 30 JJEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1O ZINC000059198267 195394754 /nfs/dbraw/zinc/39/47/54/195394754.db2.gz GRHQAOMCITYRCC-GZTJUZNOSA-N 0 2 471.307 4.789 40 30 JJEBLN C/C(=N\N=C1/NC(=O)C(CC(=O)Nc2c(C)cccc2C)S1)c1ccc(N2CCCCC2)c(F)c1 ZINC000009613543 518459462 /nfs/dbraw/zinc/45/94/62/518459462.db2.gz FDRLELVTIZDQEV-ZWFLUXFESA-N 0 2 495.624 4.773 40 30 JJEBLN C/C(=N\N=C1/NC(=O)[C@H](CC(=O)Nc2c(C)cccc2C)S1)c1ccc(N2CCCCC2)c(F)c1 ZINC000009613543 518459481 /nfs/dbraw/zinc/45/94/81/518459481.db2.gz FDRLELVTIZDQEV-ZWFLUXFESA-N 0 2 495.624 4.773 40 30 JJEBLN CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\N=C1\NC(=O)C(CC(=O)Nc3ccc(Br)cc3)S1)C2 ZINC000012393528 520639439 /nfs/dbraw/zinc/63/94/39/520639439.db2.gz SUTNLVFOKIDYPE-IGKPXJHVSA-N 0 2 477.428 4.568 40 30 JJEBLN CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\N=C1\NC(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)S1)C2 ZINC000012393528 520639455 /nfs/dbraw/zinc/63/94/55/520639455.db2.gz SUTNLVFOKIDYPE-IGKPXJHVSA-N 0 2 477.428 4.568 40 30 JJEBLN CCOc1ccc(C=[NH+]Nc2nnc(SCCC(=O)Nc3cccc4ccccc43)[n-]2)cc1 ZINC000009695133 520853515 /nfs/dbraw/zinc/85/35/15/520853515.db2.gz SFKOXGQZCVBUFY-PCLIKHOPSA-N 0 2 460.563 4.924 40 30 JJEBLN COc1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000009373101 523471996 /nfs/dbraw/zinc/47/19/96/523471996.db2.gz OJUSCHUUPWZCAQ-MCMRFMRISA-N 0 2 477.542 4.651 40 30 JJEBLN COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000009373101 523472007 /nfs/dbraw/zinc/47/20/07/523472007.db2.gz OJUSCHUUPWZCAQ-MCMRFMRISA-N 0 2 477.542 4.651 40 30 JJEBLN O=C(CC1S/C(=N/N=C2c3ccccc3-c3ccccc32)NC1=O)Nc1ccc(Cl)cc1 ZINC000016713199 527184944 /nfs/dbraw/zinc/18/49/44/527184944.db2.gz WLULJZYJBYQWQE-HXUWFJFHSA-N 0 2 460.946 4.689 40 30 JJEBLN O=C(C[C@H]1S/C(=N/N=C2c3ccccc3-c3ccccc32)NC1=O)Nc1ccc(Cl)cc1 ZINC000016713199 527184951 /nfs/dbraw/zinc/18/49/51/527184951.db2.gz WLULJZYJBYQWQE-HXUWFJFHSA-N 0 2 460.946 4.689 40 30 JJEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)N(C)C2=O)cc1 ZINC000102406969 536777365 /nfs/dbraw/zinc/77/73/65/536777365.db2.gz HLJWXEZMDRCYSF-QKGJBPELSA-N 0 2 471.888 4.958 40 30 JJEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)N(C)C2=O)cc1 ZINC000102406969 536777375 /nfs/dbraw/zinc/77/73/75/536777375.db2.gz HLJWXEZMDRCYSF-QKGJBPELSA-N 0 2 471.888 4.958 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NCc2c(O)ccc3ccccc32)c([N+](=O)[O-])c1 ZINC000012529003 555998171 /nfs/dbraw/zinc/99/81/71/555998171.db2.gz XNKUDYJRSPCUPW-MFKUBSTISA-N 0 2 492.513 4.709 40 30 JJEBLN COc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000012561903 556055441 /nfs/dbraw/zinc/05/54/41/556055441.db2.gz RMVXDRFTBKLAQB-LPYMAVHISA-N 0 2 460.899 4.504 40 30 JJEBLN CCN1C(=O)C(=CNc2ccccc2)S/C1=N\Nc1ncc(CC(=O)Nc2ccccc2C)s1 ZINC000017222363 556242813 /nfs/dbraw/zinc/24/28/13/556242813.db2.gz ORHBTWLKIAHHFT-KQPXZHDNSA-N 0 2 492.630 4.864 40 30 JJEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2c(C)[nH]c3ccccc32)cc1 ZINC000008670835 562949269 /nfs/dbraw/zinc/94/92/69/562949269.db2.gz VEZYXSZHBCPZGV-ZVHZXABRSA-N 0 2 479.518 4.640 40 30 JJEBLN CCC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000033718826 569631750 /nfs/dbraw/zinc/63/17/50/569631750.db2.gz MLXSUXDGOHXTLW-ATJXCDBQSA-N 0 2 454.508 4.630 40 30 JJEBLN COc1ccc(Cl)cc1/N=C1/SC(CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C ZINC000101650511 569802538 /nfs/dbraw/zinc/80/25/38/569802538.db2.gz VSZDHEVFJRQJIQ-OVJLLXBISA-N 0 2 452.363 4.901 40 30 JJEBLN COc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C ZINC000101650511 569802540 /nfs/dbraw/zinc/80/25/40/569802540.db2.gz VSZDHEVFJRQJIQ-OVJLLXBISA-N 0 2 452.363 4.901 40 30 JJEBLN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=N[N-]c2nc(Nc3ccccc3)nc(N3CCCCC3)[nH+]2)o1 ZINC000408728008 570028446 /nfs/dbraw/zinc/02/84/46/570028446.db2.gz UNUVPMVPZWDXKH-WPWMEQJKSA-N 0 2 498.547 4.950 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000408771327 570039012 /nfs/dbraw/zinc/03/90/12/570039012.db2.gz HCJXQAJWZKXMKP-LFVJCYFKSA-N 0 2 482.536 4.978 40 30 JJEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1CC=C ZINC000408773089 570039510 /nfs/dbraw/zinc/03/95/10/570039510.db2.gz SPOWTFSMPCCMEL-CPNJWEJPSA-N 0 2 481.346 4.717 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000408775660 570040251 /nfs/dbraw/zinc/04/02/51/570040251.db2.gz IUQBLLDYHLXNCP-OEAKJJBVSA-N 0 2 496.519 4.698 40 30 JJEBLN C=CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000408777306 570040519 /nfs/dbraw/zinc/04/05/19/570040519.db2.gz YCZJJUFQOMPOKS-XSFVSMFZSA-N 0 2 466.921 4.698 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000408781132 570041497 /nfs/dbraw/zinc/04/14/97/570041497.db2.gz ADHIICXQEOZWNP-MHWRWJLKSA-N 0 2 461.301 4.623 40 30 JJEBLN Cc1c(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000408782089 570041872 /nfs/dbraw/zinc/04/18/72/570041872.db2.gz VPXWNOXZSWYLSF-MFKUBSTISA-N 0 2 474.520 4.845 40 30 JJEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OCC ZINC000408802701 570046306 /nfs/dbraw/zinc/04/63/06/570046306.db2.gz GGFFDBYDRKVZEH-GZTJUZNOSA-N 0 2 499.361 4.696 40 30 JJEBLN C#CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000408814840 570050126 /nfs/dbraw/zinc/05/01/26/570050126.db2.gz SKWSOWPUHFTNSE-XQNSMLJCSA-N 0 2 486.911 4.597 40 30 JJEBLN C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408819513 570051533 /nfs/dbraw/zinc/05/15/33/570051533.db2.gz ZDADDYFJWKEMHN-XSFVSMFZSA-N 0 2 477.314 4.834 40 30 JJEBLN C=CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(C)cc3)cc2)C1=O ZINC000408834989 570053044 /nfs/dbraw/zinc/05/30/44/570053044.db2.gz WMRRKAADIJSDIF-PCLIKHOPSA-N 0 2 498.535 4.814 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408858983 570057060 /nfs/dbraw/zinc/05/70/60/570057060.db2.gz RVUHDVSBVKMWRB-OEAKJJBVSA-N 0 2 496.519 4.698 40 30 JJEBLN C=CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O ZINC000408901179 570068569 /nfs/dbraw/zinc/06/85/69/570068569.db2.gz WRIKPZQRFSITFT-WJDWOHSUSA-N 0 2 475.726 4.642 40 30 JJEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC#N)c(Cl)c3)C2=O)cc1Cl ZINC000408985972 570092255 /nfs/dbraw/zinc/09/22/55/570092255.db2.gz YYSDOQMXVLAYBA-MLPAPPSSSA-N 0 2 464.692 4.524 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCC ZINC000409075451 570119836 /nfs/dbraw/zinc/11/98/36/570119836.db2.gz YWFMCEPMCAJYMF-GHRIWEEISA-N 0 2 454.910 4.532 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccccc1Cl ZINC000096398875 130075479 /nfs/dbraw/zinc/07/54/79/130075479.db2.gz WCFBIOYUWKOOOI-UCQKPKSFSA-N 0 2 474.926 4.894 40 30 JJEBLN CCc1cc2c(ncnc2NN=Cc2cc(Br)cc(Br)c2O)s1 ZINC000016161314 523848125 /nfs/dbraw/zinc/84/81/25/523848125.db2.gz WEZUBQSMEJJAHA-CGOBSMCZSA-N 0 2 456.163 4.930 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC1CCCc2ccccc21 ZINC000033042568 524642017 /nfs/dbraw/zinc/64/20/17/524642017.db2.gz JBWRARGVOVAMAS-CLCOLTQESA-N 0 2 466.519 4.557 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccccc1C(F)(F)F ZINC000009096994 524642729 /nfs/dbraw/zinc/64/27/29/524642729.db2.gz KDYQHGHCGIIADW-DHRITJCHSA-N 0 2 494.451 4.869 40 30 JJEBLN COc1cc(Cl)c(C)cc1NC(=O)CC1S/C(=N\N=C\c2ccccc2C(F)(F)F)NC1=O ZINC000002654080 554269750 /nfs/dbraw/zinc/26/97/50/554269750.db2.gz YSGZKLJKEBASKS-CEDONSPHSA-N 0 2 498.914 4.626 40 30 JJEBLN COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1S/C(=N\N=C\c2ccccc2C(F)(F)F)NC1=O ZINC000002654080 554269752 /nfs/dbraw/zinc/26/97/52/554269752.db2.gz YSGZKLJKEBASKS-CEDONSPHSA-N 0 2 498.914 4.626 40 30 JJEBLN CCN1C(=O)C(=CNc2ccccc2)S/C1=N/Nc1ncc(CC(=O)Nc2ccccc2C)s1 ZINC000005733905 554493584 /nfs/dbraw/zinc/49/35/84/554493584.db2.gz ORHBTWLKIAHHFT-WXJBHLQESA-N 0 2 492.630 4.864 40 30 JJEBLN CCOc1cccc(NC(=O)CC2S/C(=N\c3cc(Cl)cc(Cl)c3)N(C)C2=O)c1 ZINC000020177815 555683483 /nfs/dbraw/zinc/68/34/83/555683483.db2.gz SYZFIFPWADHURB-DJUDNFEDSA-N 0 2 452.363 4.982 40 30 JJEBLN CCOc1cccc(NC(=O)C[C@@H]2S/C(=N\c3cc(Cl)cc(Cl)c3)N(C)C2=O)c1 ZINC000020177815 555683486 /nfs/dbraw/zinc/68/34/86/555683486.db2.gz SYZFIFPWADHURB-DJUDNFEDSA-N 0 2 452.363 4.982 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC(C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000012562595 556056891 /nfs/dbraw/zinc/05/68/91/556056891.db2.gz GQPXRZGIZUEPCQ-OEAKJJBVSA-N 0 2 474.926 4.894 40 30 JJEBLN COc1ccc(CCN2C(=O)C(=O)C(C(=O)c3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000015920281 556067581 /nfs/dbraw/zinc/06/75/81/556067581.db2.gz SLZZUMQTBQDXRN-QFIPXVFZSA-N 0 2 467.905 4.771 40 30 JJEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc(OCC)c1O ZINC000038162510 569799716 /nfs/dbraw/zinc/79/97/16/569799716.db2.gz WXJLQSMKBJHFSP-LICLKQGHSA-N 0 2 471.307 4.789 40 30 JJEBLN OC(=CC(O)(C(F)(F)F)C(F)(F)F)c1ccc(C(O)=CC(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000104142497 569842004 /nfs/dbraw/zinc/84/20/04/569842004.db2.gz NZLRTYODYPMSCS-UHFFFAOYSA-N 0 2 494.228 4.544 40 30 JJEBLN CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000105469078 569853043 /nfs/dbraw/zinc/85/30/43/569853043.db2.gz GAHABUSVEDHLEP-NKFKGCMQSA-N 0 2 478.545 4.879 40 30 JJEBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408808836 570048540 /nfs/dbraw/zinc/04/85/40/570048540.db2.gz GVCIQOXIZSROQJ-LDADJPATSA-N 0 2 488.544 4.712 40 30 JJEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4C#N)c4ccccc34)C2=O)cc1C ZINC000408816003 570050488 /nfs/dbraw/zinc/05/04/88/570050488.db2.gz ILWSVSJKJZCINN-AFUMVMLFSA-N 0 2 474.520 4.845 40 30 JJEBLN C=CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000408816385 570050583 /nfs/dbraw/zinc/05/05/83/570050583.db2.gz RQTKGCHYJWKHGG-MHWRWJLKSA-N 0 2 475.726 4.642 40 30 JJEBLN C#CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCCC)cc3)C2=O)cc1OCC ZINC000408899360 570068040 /nfs/dbraw/zinc/06/80/40/570068040.db2.gz OSTIFSLYEDZTFS-ZHZULCJRSA-N 0 2 496.947 4.596 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000408915829 570075319 /nfs/dbraw/zinc/07/53/19/570075319.db2.gz ZTZISAZRKKTTAF-OEAKJJBVSA-N 0 2 486.499 4.808 40 30 JJEBLN C=CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(CC)cc4)C3=O)c2C)cc1 ZINC000408983324 570091292 /nfs/dbraw/zinc/09/12/92/570091292.db2.gz LJEUNJQHHUIZFM-UQQQWYQISA-N 0 2 469.541 4.888 40 30 JJEBLN C=CCOc1c(CC=C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC ZINC000408990127 570093605 /nfs/dbraw/zinc/09/36/05/570093605.db2.gz MRPGFTVIFNMZKR-JWGURIENSA-N 0 2 460.530 4.607 40 30 JJEBLN C#CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O ZINC000409042629 570107823 /nfs/dbraw/zinc/10/78/23/570107823.db2.gz NUFLIUKDRWVQGZ-NTEUORMPSA-N 0 2 463.704 4.634 40 30 JJEBLN C#CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000409046754 570108932 /nfs/dbraw/zinc/10/89/32/570108932.db2.gz LRRVDVARRGWPEF-OVCLIPMQSA-N 0 2 463.704 4.634 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409067228 570116913 /nfs/dbraw/zinc/11/69/13/570116913.db2.gz CBOQARSFIFKIRA-XQNSMLJCSA-N 0 2 468.509 4.669 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OCC)c1OCCC ZINC000409073592 570119236 /nfs/dbraw/zinc/11/92/36/570119236.db2.gz QMBGEDRQPDECEH-PXLXIMEGSA-N 0 2 462.546 4.886 40 30 JJEBLN O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1cccc([N+](=O)[O-])c1O ZINC000409279462 570190725 /nfs/dbraw/zinc/19/07/25/570190725.db2.gz HPFXWFFXMMCUBJ-UHFFFAOYSA-N 0 2 454.364 4.578 40 30 JJEBLN O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1ccc(Br)c(Cl)c1 ZINC000408538023 570190958 /nfs/dbraw/zinc/19/09/58/570190958.db2.gz YNRFCOBFJZKPGL-GFCCVEGCSA-N 0 2 488.647 4.723 40 30 JJEBLN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc([N+](=O)[O-])c2O)cc1C(C)C ZINC000409304652 570197582 /nfs/dbraw/zinc/19/75/82/570197582.db2.gz LVFAAFURKPQMBD-UHFFFAOYSA-N 0 2 472.501 5.000 40 30 JJEBLN C/C(=N\N=C1\NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1)c1cccc2ccccc21 ZINC000016136727 518461252 /nfs/dbraw/zinc/46/12/52/518461252.db2.gz YVHLPFKKNUFGPN-RXJBCPCZSA-N 0 2 495.402 4.943 40 30 JJEBLN C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)S1)c1cccc2ccccc21 ZINC000016136727 518461260 /nfs/dbraw/zinc/46/12/60/518461260.db2.gz YVHLPFKKNUFGPN-RXJBCPCZSA-N 0 2 495.402 4.943 40 30 JJEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@@H]2CCCO2)c(C)c1 ZINC000015912453 525972276 /nfs/dbraw/zinc/97/22/76/525972276.db2.gz GFVNNKVDKGHHJW-YLUUWCJKSA-N 0 2 473.545 4.721 40 30 JJEBLN Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@@H]2CCCO2)c(C)c1 ZINC000015912453 525972286 /nfs/dbraw/zinc/97/22/86/525972286.db2.gz GFVNNKVDKGHHJW-YLUUWCJKSA-N 0 2 473.545 4.721 40 30 JJEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@@H]2CCCO2)c(C)c1 ZINC000003350537 525972718 /nfs/dbraw/zinc/97/27/18/525972718.db2.gz GFVNNKVDKGHHJW-AIXQXVHSSA-N 0 2 473.545 4.721 40 30 JJEBLN Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@@H]2CCCO2)c(C)c1 ZINC000003350537 525972735 /nfs/dbraw/zinc/97/27/35/525972735.db2.gz GFVNNKVDKGHHJW-AIXQXVHSSA-N 0 2 473.545 4.721 40 30 JJEBLN COc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C(=O)N2C)cc1 ZINC000102408220 536613908 /nfs/dbraw/zinc/61/39/08/536613908.db2.gz QNRZZGTVMWMZEC-QNZDRRGVSA-N 0 2 471.888 4.958 40 30 JJEBLN C/C(=N\N=C1/NC(=O)C(CC(=O)Nc2ccc(Cl)cc2)S1)c1ccc(Br)s1 ZINC000020157637 555676583 /nfs/dbraw/zinc/67/65/83/555676583.db2.gz ICWXAKGGENIRCK-IAAMAZNWSA-N 0 2 485.816 4.504 40 30 JJEBLN C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S1)c1ccc(Br)s1 ZINC000020157637 555676587 /nfs/dbraw/zinc/67/65/87/555676587.db2.gz ICWXAKGGENIRCK-IAAMAZNWSA-N 0 2 485.816 4.504 40 30 JJEBLN C/C(=N\N=C1/NC(=O)C(CC(=O)Nc2ccc(Cl)cc2)S1)c1ccc(Br)s1 ZINC000020157639 555676644 /nfs/dbraw/zinc/67/66/44/555676644.db2.gz ICWXAKGGENIRCK-IKDHMPEHSA-N 0 2 485.816 4.504 40 30 JJEBLN C/C(=N\N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S1)c1ccc(Br)s1 ZINC000020157639 555676647 /nfs/dbraw/zinc/67/66/47/555676647.db2.gz ICWXAKGGENIRCK-IKDHMPEHSA-N 0 2 485.816 4.504 40 30 JJEBLN CNC(=O)C[C@H]1S/C(=N\c2cccc(C(F)(F)F)c2)N(CCc2ccc(Cl)cc2)C1=O ZINC000020220209 555716766 /nfs/dbraw/zinc/71/67/66/555716766.db2.gz OTBBCJWEIWGVFZ-ODUMHZPLSA-N 0 2 469.916 4.669 40 30 JJEBLN COc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2Cc2cccs2)cc1 ZINC000020248018 555742445 /nfs/dbraw/zinc/74/24/45/555742445.db2.gz GTVRQPRNENDPRI-KHUIZHDGSA-N 0 2 451.573 4.917 40 30 JJEBLN COc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccs2)cc1 ZINC000020248018 555742447 /nfs/dbraw/zinc/74/24/47/555742447.db2.gz GTVRQPRNENDPRI-KHUIZHDGSA-N 0 2 451.573 4.917 40 30 JJEBLN CCOc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(C)cc2C)cc1OC ZINC000012529341 555998974 /nfs/dbraw/zinc/99/89/74/555998974.db2.gz ZLKWKQPAFFODQX-MFKUBSTISA-N 0 2 498.561 4.866 40 30 JJEBLN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4cccs4)[C@@H]3c3cccc(O)c3)c2c1 ZINC000015920377 556068393 /nfs/dbraw/zinc/06/83/93/556068393.db2.gz NNVRGKNKNSBUIE-QHCPKHFHSA-N 0 2 474.538 4.765 40 30 JJEBLN CN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N/c1cc(Cl)c(O)c(Cl)c1 ZINC000101577232 569801487 /nfs/dbraw/zinc/80/14/87/569801487.db2.gz ARYHBSZTJNKMQM-KMEDIVRHSA-N 0 2 458.754 4.943 40 30 JJEBLN CN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N/c1cc(Cl)c(O)c(Cl)c1 ZINC000101577239 569801461 /nfs/dbraw/zinc/80/14/61/569801461.db2.gz ARYHBSZTJNKMQM-CGUCZKFASA-N 0 2 458.754 4.943 40 30 JJEBLN COc1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000102961616 569830034 /nfs/dbraw/zinc/83/00/34/569830034.db2.gz OJUSCHUUPWZCAQ-SIHNDCSESA-N 0 2 477.542 4.651 40 30 JJEBLN COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000102961616 569830036 /nfs/dbraw/zinc/83/00/36/569830036.db2.gz OJUSCHUUPWZCAQ-SIHNDCSESA-N 0 2 477.542 4.651 40 30 JJEBLN CCN1C(=O)C(=CNc2ccccc2)S/C1=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000104301812 569844944 /nfs/dbraw/zinc/84/49/44/569844944.db2.gz RJKLMVFGIBFCOY-IEAHJDIISA-N 0 2 466.548 4.950 40 30 JJEBLN CCN1C(=O)C(=CNc2ccccc2)S/C1=N/Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000104301823 569844966 /nfs/dbraw/zinc/84/49/66/569844966.db2.gz RJKLMVFGIBFCOY-FOXVTAEVSA-N 0 2 466.548 4.950 40 30 JJEBLN CCN1C(=O)C(=CNc2ccccc2)S/C1=N/Nc1ncc(CC(=O)Nc2ccccc2C)s1 ZINC000104301874 569845008 /nfs/dbraw/zinc/84/50/08/569845008.db2.gz ORHBTWLKIAHHFT-NMNBYYRSSA-N 0 2 492.630 4.864 40 30 JJEBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000408784665 570042663 /nfs/dbraw/zinc/04/26/63/570042663.db2.gz VWZIGIAKUHPHEM-VXLYETTFSA-N 0 2 478.961 4.964 40 30 JJEBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408812461 570049456 /nfs/dbraw/zinc/04/94/56/570049456.db2.gz OUIPMVYNKDEJSA-DEDYPNTBSA-N 0 2 470.554 4.573 40 30 JJEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000408814530 570049963 /nfs/dbraw/zinc/04/99/63/570049963.db2.gz RODYJOKDRAAXLF-MDWZMJQESA-N 0 2 496.144 4.987 40 30 JJEBLN C#CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)c1 ZINC000408937187 570081794 /nfs/dbraw/zinc/08/17/94/570081794.db2.gz NAJQFYUQPJRYIQ-KQWNVCNZSA-N 0 2 486.911 4.597 40 30 JJEBLN CCN1C(=O)/C(=C/c2cccn2-c2ccc([NH+](C)C)cc2)SC1=Nc1ccc(C(=O)[O-])cc1 ZINC000408959613 570085314 /nfs/dbraw/zinc/08/53/14/570085314.db2.gz BYUIVPIBOXOROZ-JUQJSGDGSA-N 0 2 460.559 4.865 40 30 JJEBLN C#CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl ZINC000408984184 570091773 /nfs/dbraw/zinc/09/17/73/570091773.db2.gz PXZRBCJMYXWMLL-AUWJEWJLSA-N 0 2 463.704 4.634 40 30 JJEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccccc3C#N)C2=O)cc1Cl ZINC000408988147 570093129 /nfs/dbraw/zinc/09/31/29/570093129.db2.gz HEQUJKMGPRXUSE-MTJSOVHGSA-N 0 2 471.900 4.766 40 30 JJEBLN CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cc(Cl)cc(Cl)c2O)C1=O ZINC000409008042 570098582 /nfs/dbraw/zinc/09/85/82/570098582.db2.gz VCDHUSMPGXRKGD-SXGWCWSVSA-N 0 2 478.353 4.869 40 30 JJEBLN C#CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409045286 570108558 /nfs/dbraw/zinc/10/85/58/570108558.db2.gz FZUMAPNKZDCTFV-NTUHNPAUSA-N 0 2 484.122 4.979 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409064172 570115638 /nfs/dbraw/zinc/11/56/38/570115638.db2.gz CEPSKPSZJWLWCH-HZHRSRAPSA-N 0 2 486.499 4.808 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OCC ZINC000409067722 570117020 /nfs/dbraw/zinc/11/70/20/570117020.db2.gz PNWUDHXFWQYXNL-MHWRWJLKSA-N 0 2 475.328 4.796 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409068961 570117587 /nfs/dbraw/zinc/11/75/87/570117587.db2.gz SZSNUIJNWYAHGK-LFVJCYFKSA-N 0 2 498.535 4.678 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCCC ZINC000409070315 570117954 /nfs/dbraw/zinc/11/79/54/570117954.db2.gz ZXPYDDBAIDBDDU-CPNJWEJPSA-N 0 2 499.361 4.641 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCCC ZINC000409072322 570118798 /nfs/dbraw/zinc/11/87/98/570118798.db2.gz JQLYPFBZUYRAKA-CPNJWEJPSA-N 0 2 454.910 4.532 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCCC ZINC000409074356 570119479 /nfs/dbraw/zinc/11/94/79/570119479.db2.gz QBBYSKODDUIYKC-CJLVFECKSA-N 0 2 478.545 4.668 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCCC ZINC000409074857 570119547 /nfs/dbraw/zinc/11/95/47/570119547.db2.gz NFSCEHGZPZVULF-QGOAFFKASA-N 0 2 468.937 4.841 40 30 JJEBLN Oc1c(Br)cc(C=NNc2ccc(C(F)(F)F)cn2)cc1I ZINC000409099798 570127984 /nfs/dbraw/zinc/12/79/84/570127984.db2.gz LQNBKKORSGNOLM-DENHBWNVSA-N 0 2 486.029 4.619 40 30 JJEBLN Oc1c(Br)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1I ZINC000409099798 570127985 /nfs/dbraw/zinc/12/79/85/570127985.db2.gz LQNBKKORSGNOLM-DENHBWNVSA-N 0 2 486.029 4.619 40 30 JJEBLN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc([N+](=O)[O-])ccc2O)cc1C(C)C ZINC000409274481 570189696 /nfs/dbraw/zinc/18/96/96/570189696.db2.gz DMYMFNXWLUVIOH-UHFFFAOYSA-N 0 2 472.501 5.000 40 30 JJEBLN O=C1c2ccccc2C(=O)C1=C1c2ccccc2C(O)=C1c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004265530 194386672 /nfs/dbraw/zinc/38/66/72/194386672.db2.gz YMBWUGFPQGCOEU-FQEVSTJZSA-N 0 2 474.812 4.969 40 30 JJEBLN CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000012621615 195057090 /nfs/dbraw/zinc/05/70/90/195057090.db2.gz FKGBUNMZMOBZBP-LPYMAVHISA-N 0 2 460.899 4.591 40 30 JJEBLN CCC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000012652213 195076386 /nfs/dbraw/zinc/07/63/86/195076386.db2.gz MLXSUXDGOHXTLW-BSYVCWPDSA-N 0 2 454.508 4.630 40 30 JJEBLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccc(F)cc2F)c(C)c1 ZINC000009138159 525297890 /nfs/dbraw/zinc/29/78/90/525297890.db2.gz BXBLCRZEMMFEES-WYMPLXKRSA-N 0 2 460.462 4.737 40 30 JJEBLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccc(F)cc2F)c(C)c1 ZINC000009138159 525297907 /nfs/dbraw/zinc/29/79/07/525297907.db2.gz BXBLCRZEMMFEES-WYMPLXKRSA-N 0 2 460.462 4.737 40 30 JJEBLN Cc1ccc([N+](=O)[O-])cc1/N=C1\SC(CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C ZINC000016311771 526069944 /nfs/dbraw/zinc/06/99/44/526069944.db2.gz NFDZINBSYOYTKH-PHFYZZCHSA-N 0 2 466.441 4.512 40 30 JJEBLN Cc1ccc([N+](=O)[O-])cc1/N=C1\S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C ZINC000016311771 526069958 /nfs/dbraw/zinc/06/99/58/526069958.db2.gz NFDZINBSYOYTKH-PHFYZZCHSA-N 0 2 466.441 4.512 40 30 JJEBLN CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)cc1 ZINC000022570209 555937109 /nfs/dbraw/zinc/93/71/09/555937109.db2.gz KHCWAJOSYRUAMU-MFKUBSTISA-N 0 2 462.531 4.865 40 30 JJEBLN COc1cc(Cl)c(C)cc1NC(=O)CC1S/C(=N\N=C\c2ccccc2C(F)(F)F)NC1=O ZINC000012529288 555998758 /nfs/dbraw/zinc/99/87/58/555998758.db2.gz YSGZKLJKEBASKS-LQSMYXFLSA-N 0 2 498.914 4.626 40 30 JJEBLN COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1S/C(=N\N=C\c2ccccc2C(F)(F)F)NC1=O ZINC000012529288 555998763 /nfs/dbraw/zinc/99/87/63/555998763.db2.gz YSGZKLJKEBASKS-LQSMYXFLSA-N 0 2 498.914 4.626 40 30 JJEBLN O=C1N/C(=N\c2ccccc2)S/C1=C\c1cc(Br)c(O)c(Br)c1 ZINC000016451055 556139772 /nfs/dbraw/zinc/13/97/72/556139772.db2.gz LBRPIXNVKKLUFC-JYRVWZFOSA-N 0 2 454.143 4.809 40 30 JJEBLN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(C)cc2C)ccc1O ZINC000025336483 556209532 /nfs/dbraw/zinc/20/95/32/556209532.db2.gz RPSRSIVYBNANMV-ZVHZXABRSA-N 0 2 484.534 4.563 40 30 JJEBLN CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2)S/C1=N/c1cc(Cl)c(O)c(Cl)c1 ZINC000101597394 569801699 /nfs/dbraw/zinc/80/16/99/569801699.db2.gz OXMOUMZNESLHBN-XGTYDZQNSA-N 0 2 452.363 4.988 40 30 JJEBLN COc1ccc(Cl)cc1/N=C1/SC(CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C ZINC000101650506 569802427 /nfs/dbraw/zinc/80/24/27/569802427.db2.gz VSZDHEVFJRQJIQ-OCLJWFPGSA-N 0 2 452.363 4.901 40 30 JJEBLN COc1ccc(Cl)cc1/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C ZINC000101650506 569802429 /nfs/dbraw/zinc/80/24/29/569802429.db2.gz VSZDHEVFJRQJIQ-OCLJWFPGSA-N 0 2 452.363 4.901 40 30 JJEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@H]2CCCO2)c(C)c1 ZINC000112361999 569861288 /nfs/dbraw/zinc/86/12/88/569861288.db2.gz GFVNNKVDKGHHJW-ZQDGMFDBSA-N 0 2 473.545 4.721 40 30 JJEBLN Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@H]2CCCO2)c(C)c1 ZINC000112361999 569861289 /nfs/dbraw/zinc/86/12/89/569861289.db2.gz GFVNNKVDKGHHJW-ZQDGMFDBSA-N 0 2 473.545 4.721 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCC ZINC000408761204 570036877 /nfs/dbraw/zinc/03/68/77/570036877.db2.gz CXRJPFFAXYIKDM-QGOAFFKASA-N 0 2 469.335 4.551 40 30 JJEBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000408780332 570041376 /nfs/dbraw/zinc/04/13/76/570041376.db2.gz BATUIVMSAUCDPW-RGVLZGJSSA-N 0 2 458.543 4.619 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCC ZINC000408786189 570043074 /nfs/dbraw/zinc/04/30/74/570043074.db2.gz GOTDKCWMZKHLSY-XDHOZWIPSA-N 0 2 483.362 4.860 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC ZINC000408816584 570050691 /nfs/dbraw/zinc/05/06/91/570050691.db2.gz RWWDFCCXLNREMV-OVCLIPMQSA-N 0 2 461.301 4.542 40 30 JJEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 ZINC000408824000 570052181 /nfs/dbraw/zinc/05/21/81/570052181.db2.gz OXOQJODAWMYRLN-XQNSMLJCSA-N 0 2 486.911 4.597 40 30 JJEBLN C=CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O ZINC000408893568 570066474 /nfs/dbraw/zinc/06/64/74/570066474.db2.gz BEDUZMVPLZGTQP-WJDWOHSUSA-N 0 2 475.726 4.642 40 30 JJEBLN C#CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O ZINC000408899361 570068034 /nfs/dbraw/zinc/06/80/34/570068034.db2.gz OTFGWYRFIHYVMI-ZHZULCJRSA-N 0 2 489.325 4.589 40 30 JJEBLN C#CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c1 ZINC000408933773 570080835 /nfs/dbraw/zinc/08/08/35/570080835.db2.gz BFAMYRZDFHIMAU-JLPGSUDCSA-N 0 2 486.911 4.597 40 30 JJEBLN Cc1ccc(C(=O)[O-])cc1N=C1S/C(=C\c2cccn2-c2ccc([NH+](C)C)cc2)C(=O)N1C ZINC000408960698 570085720 /nfs/dbraw/zinc/08/57/20/570085720.db2.gz NYWJVCUVQINNCO-JXJWTFEASA-N 0 2 460.559 4.784 40 30 JJEBLN CCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccc(N2CCCCC2)cc1 ZINC000408961105 570085919 /nfs/dbraw/zinc/08/59/19/570085919.db2.gz ADEWBWZQUUNNQF-IRZHRRCCSA-N 0 2 452.536 4.915 40 30 JJEBLN O=C1CCCC2=C1C(c1cc(Br)c(O)c(Br)c1)C1=C(CCCC1=O)N2 ZINC000409034356 570106379 /nfs/dbraw/zinc/10/63/79/570106379.db2.gz NPCKTXWXNHRDAB-UHFFFAOYSA-N 0 2 467.157 4.618 40 30 JJEBLN C=CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000409046671 570108782 /nfs/dbraw/zinc/10/87/82/570108782.db2.gz LCLXIIWCXQLJOW-UKTHLTGXSA-N 0 2 451.693 4.878 40 30 JJEBLN C=CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O ZINC000409050311 570109788 /nfs/dbraw/zinc/10/97/88/570109788.db2.gz UHTGCBAYDGJXHP-GZTJUZNOSA-N 0 2 461.301 4.623 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCC ZINC000409067004 570116756 /nfs/dbraw/zinc/11/67/56/570116756.db2.gz OMVCWFNMCIXZIC-XDHOZWIPSA-N 0 2 454.910 4.532 40 30 JJEBLN C=CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000059198220 195394431 /nfs/dbraw/zinc/39/44/31/195394431.db2.gz PJNDEUCAAHXPNT-SFQUDFHCSA-N 0 2 471.307 4.919 40 30 JJEBLN Cc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 ZINC000016661819 525092516 /nfs/dbraw/zinc/09/25/16/525092516.db2.gz HOUMUCHJDBIVGQ-SIHNDCSESA-N 0 2 499.658 4.654 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(Cl)cc1 ZINC000012562700 556057010 /nfs/dbraw/zinc/05/70/10/556057010.db2.gz LHESXOPJXHDGKL-OEAKJJBVSA-N 0 2 474.926 4.894 40 30 JJEBLN CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 ZINC000033759887 569633826 /nfs/dbraw/zinc/63/38/26/569633826.db2.gz KPIGPTRVJVMUGB-QRVIBDJDSA-N 0 2 488.909 4.614 40 30 JJEBLN O=C1C(C(O)(C(F)(F)Cl)C(F)(F)Cl)CCC[C@H]1C(O)(C(F)(F)Cl)C(F)(F)Cl ZINC000073353211 569704383 /nfs/dbraw/zinc/70/43/83/569704383.db2.gz QKONRKQREILPSO-RFZPGFLSSA-N 0 2 496.005 4.760 40 30 JJEBLN COc1cc(-c2nc3ccc(Br)cn3c2/N=C/c2cc([N+](=O)[O-])ccc2O)ccc1O ZINC000408721711 570027038 /nfs/dbraw/zinc/02/70/38/570027038.db2.gz XIGWRTMEODETAS-AUEPDCJTSA-N 0 2 483.278 4.842 40 30 JJEBLN C=CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c2ccccc21 ZINC000408758728 570036346 /nfs/dbraw/zinc/03/63/46/570036346.db2.gz PYLSKKYOELKWOB-LDADJPATSA-N 0 2 464.319 4.565 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000408767927 570038304 /nfs/dbraw/zinc/03/83/04/570038304.db2.gz RHVLQRDETUNESQ-PCLIKHOPSA-N 0 2 477.520 4.841 40 30 JJEBLN C=CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCC ZINC000408775090 570039942 /nfs/dbraw/zinc/03/99/42/570039942.db2.gz NXPWRMXBHNRJBU-WOJGMQOQSA-N 0 2 499.361 4.696 40 30 JJEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OCC ZINC000408803374 570046634 /nfs/dbraw/zinc/04/66/34/570046634.db2.gz OEGGRWIGJJGITD-JJIBRWJFSA-N 0 2 498.535 4.896 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OCC ZINC000408805413 570047194 /nfs/dbraw/zinc/04/71/94/570047194.db2.gz JWZKZMCTTXLMRZ-CXUHLZMHSA-N 0 2 475.328 4.932 40 30 JJEBLN C=CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000408805479 570047213 /nfs/dbraw/zinc/04/72/13/570047213.db2.gz KMAYGNCXOJDPKV-LFVJCYFKSA-N 0 2 484.508 4.505 40 30 JJEBLN C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000408806159 570047505 /nfs/dbraw/zinc/04/75/05/570047505.db2.gz ARSCLUQMBBSGCC-QGOAFFKASA-N 0 2 465.292 4.825 40 30 JJEBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408813750 570049752 /nfs/dbraw/zinc/04/97/52/570049752.db2.gz DOWSROKSMCFMKS-RGVLZGJSSA-N 0 2 488.544 4.712 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC ZINC000408852967 570055888 /nfs/dbraw/zinc/05/58/88/570055888.db2.gz KEJJYSFGYGJBQE-XDHOZWIPSA-N 0 2 483.362 4.860 40 30 JJEBLN C#CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O ZINC000408895208 570066945 /nfs/dbraw/zinc/06/69/45/570066945.db2.gz CYFMQMGNVINNJT-ZHZULCJRSA-N 0 2 489.325 4.589 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCC)cc3)C2=O)cc1OCC ZINC000408896640 570067281 /nfs/dbraw/zinc/06/72/81/570067281.db2.gz GTNIYYQMTJYPSW-UYRXBGFRSA-N 0 2 484.936 4.759 40 30 JJEBLN O=C1CCCC2=C1C(c1ccc(O)c([N+](=O)[O-])c1)C1=C(CCCC1=O)N2CCc1ccccc1 ZINC000409041815 570107614 /nfs/dbraw/zinc/10/76/14/570107614.db2.gz VTBXRHYVJKGNMT-UHFFFAOYSA-N 0 2 458.514 4.957 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Cl ZINC000409044291 570108238 /nfs/dbraw/zinc/10/82/38/570108238.db2.gz BPSVAZGCCCPHIF-XYOKQWHBSA-N 0 2 451.693 4.878 40 30 JJEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000409046411 570108823 /nfs/dbraw/zinc/10/88/23/570108823.db2.gz KNAWHMAJSXCHSU-WUXMJOGZSA-N 0 2 484.122 4.979 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000409071027 570118217 /nfs/dbraw/zinc/11/82/17/570118217.db2.gz MYDNUIFFYJAESH-PXLXIMEGSA-N 0 2 486.499 4.808 40 30 JJEBLN N#Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1 ZINC000409071831 570118482 /nfs/dbraw/zinc/11/84/82/570118482.db2.gz LPJGMGDDKFHAIN-XNTDXEJSSA-N 0 2 452.253 4.791 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(OCC)c1OC ZINC000409105399 570129901 /nfs/dbraw/zinc/12/99/01/570129901.db2.gz IZWOMOOFPBJTCC-RVDMUPIBSA-N 0 2 475.328 4.796 40 30 JJEBLN COc1ccc(NN=C2C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2C)cc1 ZINC000012275882 524381540 /nfs/dbraw/zinc/38/15/40/524381540.db2.gz QZUJNEOJOIVRPE-MOHJPFBDSA-N 0 2 470.352 4.772 40 30 JJEBLN O=C(CC1S/C(=N/N=C2c3ccccc3-c3ccccc32)NC1=O)Nc1ccc(Cl)cc1 ZINC000016713197 527143947 /nfs/dbraw/zinc/14/39/47/527143947.db2.gz WLULJZYJBYQWQE-FQEVSTJZSA-N 0 2 460.946 4.689 40 30 JJEBLN O=C(C[C@@H]1S/C(=N/N=C2c3ccccc3-c3ccccc32)NC1=O)Nc1ccc(Cl)cc1 ZINC000016713197 527143960 /nfs/dbraw/zinc/14/39/60/527143960.db2.gz WLULJZYJBYQWQE-FQEVSTJZSA-N 0 2 460.946 4.689 40 30 JJEBLN O=C(CC1S/C(=N/c2ccc(Cl)c(F)c2)N(C2CC2)C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000009508418 527144046 /nfs/dbraw/zinc/14/40/46/527144046.db2.gz RLHYHFDEOYEFMA-OVJLLXBISA-N 0 2 462.890 4.510 40 30 JJEBLN O=C(C[C@@H]1S/C(=N/c2ccc(Cl)c(F)c2)N(C2CC2)C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000009508418 527144054 /nfs/dbraw/zinc/14/40/54/527144054.db2.gz RLHYHFDEOYEFMA-OVJLLXBISA-N 0 2 462.890 4.510 40 30 JJEBLN O=C(CC1S/C(=N/c2ccc(Cl)c(F)c2)N(C2CC2)C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000009508417 527184405 /nfs/dbraw/zinc/18/44/05/527184405.db2.gz RLHYHFDEOYEFMA-OCLJWFPGSA-N 0 2 462.890 4.510 40 30 JJEBLN O=C(C[C@H]1S/C(=N/c2ccc(Cl)c(F)c2)N(C2CC2)C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000009508417 527184413 /nfs/dbraw/zinc/18/44/13/527184413.db2.gz RLHYHFDEOYEFMA-OCLJWFPGSA-N 0 2 462.890 4.510 40 30 JJEBLN COc1ccc(/N=C2\S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000102819547 536614479 /nfs/dbraw/zinc/61/44/79/536614479.db2.gz ZDWWLXPUMICKDH-PNJMJVHGSA-N 0 2 477.561 4.673 40 30 JJEBLN COc1ccc(/N=C2\SC(CC(=O)NCc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000102819547 536614487 /nfs/dbraw/zinc/61/44/87/536614487.db2.gz ZDWWLXPUMICKDH-PNJMJVHGSA-N 0 2 477.561 4.673 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc(C(F)(F)F)cc1 ZINC000012561840 556055404 /nfs/dbraw/zinc/05/54/04/556055404.db2.gz KDXKPFDSVVODHG-DHRITJCHSA-N 0 2 494.451 4.869 40 30 JJEBLN Cc1nnc(N=NCc2c(O)ccc3ccccc32)nc1N=NCc1c(O)ccc2ccccc21 ZINC000027579503 556299979 /nfs/dbraw/zinc/29/99/79/556299979.db2.gz FXGHTLWLDJOYLY-VNRWOIRSSA-N 0 2 463.501 4.790 40 30 JJEBLN C=CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC ZINC000059861665 569607917 /nfs/dbraw/zinc/60/79/17/569607917.db2.gz YDYATFNHYOZKSM-LFIBNONCSA-N 0 2 471.307 4.838 40 30 JJEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@@H]2CCCO2)c(C)c1 ZINC000102962361 569830208 /nfs/dbraw/zinc/83/02/08/569830208.db2.gz GFVNNKVDKGHHJW-AUCZHBGZSA-N 0 2 473.545 4.721 40 30 JJEBLN Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@@H]2CCCO2)c(C)c1 ZINC000102962361 569830209 /nfs/dbraw/zinc/83/02/09/569830209.db2.gz GFVNNKVDKGHHJW-AUCZHBGZSA-N 0 2 473.545 4.721 40 30 JJEBLN CC[PH](CC)(c1ccccc1)C1C(=O)C(=O)C([PH](CC)(CC)c2ccccc2)C(=O)C1=O ZINC000104044372 569840175 /nfs/dbraw/zinc/84/01/75/569840175.db2.gz AOONGRADXLKYME-UHFFFAOYSA-N 0 2 472.502 4.908 40 30 JJEBLN COc1ccc(NS(=O)(=O)c2ccc(/N=C\c3c4ccccc4nc4ccccc43)cc2)nn1 ZINC000104225860 569843383 /nfs/dbraw/zinc/84/33/83/569843383.db2.gz OEZTYNIIJBNRDF-QQXSKIMKSA-N 0 2 469.526 4.738 40 30 JJEBLN CCN1C(=O)C(=CNc2ccccc2)S/C1=N/Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000104301818 569844933 /nfs/dbraw/zinc/84/49/33/569844933.db2.gz RJKLMVFGIBFCOY-KRDYEMGESA-N 0 2 466.548 4.950 40 30 JJEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OC ZINC000408779134 570040944 /nfs/dbraw/zinc/04/09/44/570040944.db2.gz AFLKEQMMYNTHPW-NTEUORMPSA-N 0 2 480.826 4.599 40 30 JJEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000408801563 570045823 /nfs/dbraw/zinc/04/58/23/570045823.db2.gz VUPMLTWDJOJNJJ-PXLXIMEGSA-N 0 2 486.911 4.597 40 30 JJEBLN C#CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O ZINC000408827135 570052555 /nfs/dbraw/zinc/05/25/55/570052555.db2.gz UQPFZWIKDGYAKC-ZROIWOOFSA-N 0 2 483.229 4.691 40 30 JJEBLN C=CCOc1cc(OC)ccc1/C=C1/C(=O)NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O ZINC000408834214 570053052 /nfs/dbraw/zinc/05/30/52/570053052.db2.gz URCIAKYBYKCPDB-DHDCSXOGSA-N 0 2 480.826 4.599 40 30 JJEBLN C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCCC)cc3)C2=O)cc1Br ZINC000408896066 570067203 /nfs/dbraw/zinc/06/72/03/570067203.db2.gz GNEZWGWALZLPFY-RGEXLXHISA-N 0 2 499.361 4.859 40 30 JJEBLN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O ZINC000409052234 570110305 /nfs/dbraw/zinc/11/03/05/570110305.db2.gz GVZHXUFNJIGCFM-YBEGLDIGSA-N 0 2 478.353 4.869 40 30 JJEBLN C=CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000409064636 570115965 /nfs/dbraw/zinc/11/59/65/570115965.db2.gz DSGHQAIPYFFWBK-GZTJUZNOSA-N 0 2 487.339 4.962 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000409070108 570117947 /nfs/dbraw/zinc/11/79/47/570117947.db2.gz XNRMZDXFYNOVKE-HZHRSRAPSA-N 0 2 486.499 4.808 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCC ZINC000409072126 570118649 /nfs/dbraw/zinc/11/86/49/570118649.db2.gz IIKDGCXYKLPCGM-XDHOZWIPSA-N 0 2 468.937 4.841 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409074255 570119416 /nfs/dbraw/zinc/11/94/16/570119416.db2.gz PNSJGZOLUUZIPZ-BUVRLJJBSA-N 0 2 498.535 4.683 40 30 JJEBLN CC1=NN(c2ccccc2)C(=O)[C@@H]1C=Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000409078338 570120753 /nfs/dbraw/zinc/12/07/53/570120753.db2.gz HKXFRLGMKOZLBJ-QDCCHXAWSA-N 0 2 460.559 4.891 40 30 JJEBLN O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408535385 570189933 /nfs/dbraw/zinc/18/99/33/570189933.db2.gz NWRKZSLYNBONOC-GFCCVEGCSA-N 0 2 488.647 4.723 40 30 JJEBLN O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000409281719 570191420 /nfs/dbraw/zinc/19/14/20/570191420.db2.gz LNJRJEKDXAOUJP-UHFFFAOYSA-N 0 2 454.364 4.578 40 30 JJEBLN CCOc1ccc(/N=C2/SC(CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2C)cc1 ZINC000059254542 195396448 /nfs/dbraw/zinc/39/64/48/195396448.db2.gz YOJVUQPZFXSQPG-OCLJWFPGSA-N 0 2 452.363 4.982 40 30 JJEBLN C/C(=N\N=C1/NC(=O)C(CC(=O)Nc2c(C)cccc2C)S1)c1ccc(N2CCCCC2)c(F)c1 ZINC000009613542 518460196 /nfs/dbraw/zinc/46/01/96/518460196.db2.gz FDRLELVTIZDQEV-HGMDYVATSA-N 0 2 495.624 4.773 40 30 JJEBLN C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S1)c1ccc(N2CCCCC2)c(F)c1 ZINC000009613542 518460202 /nfs/dbraw/zinc/46/02/02/518460202.db2.gz FDRLELVTIZDQEV-HGMDYVATSA-N 0 2 495.624 4.773 40 30 JJEBLN COc1ccc(/N=C2/NC(=O)/C(=C\c3cc(Br)c(O)c(Br)c3)S2)cc1 ZINC000009323810 523465913 /nfs/dbraw/zinc/46/59/13/523465913.db2.gz LRSJYZRCUNHADB-RIYZIHGNSA-N 0 2 484.169 4.817 40 30 JJEBLN COc1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000096400506 536613894 /nfs/dbraw/zinc/61/38/94/536613894.db2.gz OJUSCHUUPWZCAQ-GOTSBPSXSA-N 0 2 477.542 4.651 40 30 JJEBLN COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000096400506 536613900 /nfs/dbraw/zinc/61/39/00/536613900.db2.gz OJUSCHUUPWZCAQ-GOTSBPSXSA-N 0 2 477.542 4.651 40 30 JJEBLN COc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C(=O)N2C)cc1 ZINC000102408216 536614153 /nfs/dbraw/zinc/61/41/53/536614153.db2.gz QNRZZGTVMWMZEC-QKGJBPELSA-N 0 2 471.888 4.958 40 30 JJEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)N(C)C2=O)cc1 ZINC000102406972 536783313 /nfs/dbraw/zinc/78/33/13/536783313.db2.gz HLJWXEZMDRCYSF-QNZDRRGVSA-N 0 2 471.888 4.958 40 30 JJEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)N(C)C2=O)cc1 ZINC000102406972 536783321 /nfs/dbraw/zinc/78/33/21/536783321.db2.gz HLJWXEZMDRCYSF-QNZDRRGVSA-N 0 2 471.888 4.958 40 30 JJEBLN COc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2Cc2cccs2)cc1 ZINC000020248015 555742494 /nfs/dbraw/zinc/74/24/94/555742494.db2.gz GTVRQPRNENDPRI-ZPKJPUMHSA-N 0 2 451.573 4.917 40 30 JJEBLN COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2Cc2cccs2)cc1 ZINC000020248015 555742495 /nfs/dbraw/zinc/74/24/95/555742495.db2.gz GTVRQPRNENDPRI-ZPKJPUMHSA-N 0 2 451.573 4.917 40 30 JJEBLN COc1ccc(NS(=O)(=O)c2ccc(/N=C/c3c4ccccc4nc4ccccc43)cc2)nn1 ZINC000017130867 556221283 /nfs/dbraw/zinc/22/12/83/556221283.db2.gz OEZTYNIIJBNRDF-WGOQTCKBSA-N 0 2 469.526 4.738 40 30 JJEBLN COc1ccc(Cl)cc1/N=C1/SC(CC(=O)Nc2ccc(Cl)cc2C)C(=O)N1C ZINC000101650501 569802424 /nfs/dbraw/zinc/80/24/24/569802424.db2.gz MVIATMBGJLYCIX-OVJLLXBISA-N 0 2 452.363 4.901 40 30 JJEBLN COc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2ccc(Cl)cc2C)C(=O)N1C ZINC000101650501 569802425 /nfs/dbraw/zinc/80/24/25/569802425.db2.gz MVIATMBGJLYCIX-OVJLLXBISA-N 0 2 452.363 4.901 40 30 JJEBLN C=CCn1c(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c2ccccc21 ZINC000408763574 570037444 /nfs/dbraw/zinc/03/74/44/570037444.db2.gz GDNZEYQQDCNGIL-CPNJWEJPSA-N 0 2 478.346 4.873 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408781306 570041696 /nfs/dbraw/zinc/04/16/96/570041696.db2.gz BYKUPONKXVVWIR-LFVJCYFKSA-N 0 2 497.507 4.877 40 30 JJEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCC ZINC000408781859 570041849 /nfs/dbraw/zinc/04/18/49/570041849.db2.gz FJWVNIVQDKZDGU-WOJGMQOQSA-N 0 2 499.361 4.696 40 30 JJEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000408809639 570048788 /nfs/dbraw/zinc/04/87/88/570048788.db2.gz OMTNKOMOBPATJL-GXDHUFHOSA-N 0 2 475.726 4.642 40 30 JJEBLN C=CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O ZINC000408834880 570053055 /nfs/dbraw/zinc/05/30/55/570053055.db2.gz WBLOAUZNRJPKEO-UVTDQMKNSA-N 0 2 450.800 4.590 40 30 JJEBLN C=CCOc1c(CC=C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408990960 570094108 /nfs/dbraw/zinc/09/41/08/570094108.db2.gz PEUQMKBFMVJCQM-UNOMPAQXSA-N 0 2 466.921 4.617 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCCC ZINC000409063356 570115396 /nfs/dbraw/zinc/11/53/96/570115396.db2.gz AIINWELZDWXAKH-XDHOZWIPSA-N 0 2 454.910 4.532 40 30 JJEBLN C=CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000409066571 570116628 /nfs/dbraw/zinc/11/66/28/570116628.db2.gz BYABWKVZWILGEW-QGOAFFKASA-N 0 2 466.921 4.617 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCCC ZINC000409069882 570117780 /nfs/dbraw/zinc/11/77/80/570117780.db2.gz BBBSLICLGHPCNE-XDHOZWIPSA-N 0 2 468.937 4.841 40 30 JJEBLN O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408535387 570189978 /nfs/dbraw/zinc/18/99/78/570189978.db2.gz NWRKZSLYNBONOC-LBPRGKRZSA-N 0 2 488.647 4.723 40 30 JJEBLN O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1cc([N+](=O)[O-])ccc1O ZINC000409291719 570194148 /nfs/dbraw/zinc/19/41/48/570194148.db2.gz YIMXKVPUUGHZTA-UHFFFAOYSA-N 0 2 460.833 4.959 40 30 JJEBLN C#CCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000059135160 195389664 /nfs/dbraw/zinc/38/96/64/195389664.db2.gz QVKPCJHVYRYTKZ-RIYZIHGNSA-N 0 2 477.673 4.760 40 30 JJEBLN C=CCOc1c(CC=C)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000059198266 195394910 /nfs/dbraw/zinc/39/49/10/195394910.db2.gz JZRTWJIQJPYDHL-CPNJWEJPSA-N 0 2 497.345 4.622 40 30 JJEBLN Oc1c(Cl)cc(Cl)cc1/C=N/N1CCN(/N=C/c2cc(Cl)cc(Cl)c2O)CC1 ZINC000001700723 553983609 /nfs/dbraw/zinc/98/36/09/553983609.db2.gz DNUZXXAEMRXZRB-WDBPGAOMSA-N 0 2 462.164 4.697 40 30 JJEBLN Oc1c(Cl)cc(Cl)cc1/C=N\N1CCN(/N=C\c2cc(Cl)cc(Cl)c2O)CC1 ZINC000004990732 554484783 /nfs/dbraw/zinc/48/47/83/554484783.db2.gz DNUZXXAEMRXZRB-RJVPWCEXSA-N 0 2 462.164 4.697 40 30 JJEBLN COc1ccc(/N=C2\S[C@@H](CC(=O)NCCc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000020248009 555742468 /nfs/dbraw/zinc/74/24/68/555742468.db2.gz PIUWOLXNMKTJIP-IOYDYCAWSA-N 0 2 491.588 4.715 40 30 JJEBLN COc1ccc(/N=C2\SC(CC(=O)NCCc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000020248009 555742469 /nfs/dbraw/zinc/74/24/69/555742469.db2.gz PIUWOLXNMKTJIP-IOYDYCAWSA-N 0 2 491.588 4.715 40 30 JJEBLN COc1ccc(Cl)cc1/N=C1/SC(CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1C ZINC000101650483 569802522 /nfs/dbraw/zinc/80/25/22/569802522.db2.gz YTZHDQBYWVDPAB-OVJLLXBISA-N 0 2 452.363 4.901 40 30 JJEBLN COc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1C ZINC000101650483 569802523 /nfs/dbraw/zinc/80/25/23/569802523.db2.gz YTZHDQBYWVDPAB-OVJLLXBISA-N 0 2 452.363 4.901 40 30 JJEBLN CCN1C(=O)C(=CNc2ccccc2)S/C1=N\Nc1ncc(CC(=O)Nc2ccccc2C)s1 ZINC000103942402 569839530 /nfs/dbraw/zinc/83/95/30/569839530.db2.gz ORHBTWLKIAHHFT-CKRDVEGKSA-N 0 2 492.630 4.864 40 30 JJEBLN Cc1cc(-c2ccc(C=N[N-]c3nc(Nc4ccccc4)nc(N4CCCC4)[nH+]3)o2)ccc1[N+](=O)[O-] ZINC000408728208 570028506 /nfs/dbraw/zinc/02/85/06/570028506.db2.gz WRMLGTNQGXQLKP-WGOQTCKBSA-N 0 2 484.520 4.560 40 30 JJEBLN Oc1c(Br)cc(C=NNc2ccc3ccccc3n2)cc1I ZINC000408738460 570031205 /nfs/dbraw/zinc/03/12/05/570031205.db2.gz XSWKXMSQLWXGQE-DJKKODMXSA-N 0 2 468.092 4.754 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OC ZINC000408771384 570038994 /nfs/dbraw/zinc/03/89/94/570038994.db2.gz GBSHMRWFNFAZSE-MHWRWJLKSA-N 0 2 475.726 4.506 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC ZINC000408772181 570039203 /nfs/dbraw/zinc/03/92/03/570039203.db2.gz DWWZGLGNFKXWRR-GZTJUZNOSA-N 0 2 489.753 4.896 40 30 JJEBLN C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000408782142 570041903 /nfs/dbraw/zinc/04/19/03/570041903.db2.gz WECVJHLJGFDNEP-HZHRSRAPSA-N 0 2 475.932 4.979 40 30 JJEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000408805201 570047196 /nfs/dbraw/zinc/04/71/96/570047196.db2.gz JMMNTIYEVMWISF-XNTDXEJSSA-N 0 2 461.301 4.623 40 30 JJEBLN C=CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000408852585 570055917 /nfs/dbraw/zinc/05/59/17/570055917.db2.gz LNRLZXMXAUTHBM-PXLXIMEGSA-N 0 2 460.530 4.662 40 30 JJEBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000408990352 570093824 /nfs/dbraw/zinc/09/38/24/570093824.db2.gz XDCHOTVLHWZINR-IWIPYMOSSA-N 0 2 495.535 4.765 40 30 JJEBLN C=CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1CC=C ZINC000408992886 570094588 /nfs/dbraw/zinc/09/45/88/570094588.db2.gz UWXQJHPVIBOZHU-ZHZULCJRSA-N 0 2 495.373 4.971 40 30 JJEBLN N#Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)o2)cc1 ZINC000409022058 570103245 /nfs/dbraw/zinc/10/32/45/570103245.db2.gz ILNSKDXMENXLKQ-MHWRWJLKSA-N 0 2 452.253 4.791 40 30 JJEBLN COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)c([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O ZINC000409029509 570105612 /nfs/dbraw/zinc/10/56/12/570105612.db2.gz ALWVFPDTBMMMFB-UHFFFAOYSA-N 0 2 468.550 4.632 40 30 JJEBLN C=CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409046101 570108661 /nfs/dbraw/zinc/10/86/61/570108661.db2.gz INENKFTVPQUTAC-OQLLNIDSSA-N 0 2 451.693 4.878 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OCC)c1O ZINC000409068348 570117315 /nfs/dbraw/zinc/11/73/15/570117315.db2.gz SFXBNVVCRQZAML-LFVJCYFKSA-N 0 2 498.535 4.765 40 30 JJEBLN O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1ccc(Br)c(Cl)c1 ZINC000408538024 570190916 /nfs/dbraw/zinc/19/09/16/570190916.db2.gz YNRFCOBFJZKPGL-LBPRGKRZSA-N 0 2 488.647 4.723 40 30 JJEBLN O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1cc([N+](=O)[O-])ccc1O ZINC000409301230 570196806 /nfs/dbraw/zinc/19/68/06/570196806.db2.gz DGXMJZNNEJCBBT-UHFFFAOYSA-N 0 2 471.311 4.703 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NCc2ccccc2OC(C)C)c([N+](=O)[O-])c1 ZINC000012649409 195075291 /nfs/dbraw/zinc/07/52/91/195075291.db2.gz OBPUCGFHAPUITB-BUVRLJJBSA-N 0 2 484.534 4.637 40 30 JJEBLN N#CCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000059135155 195389750 /nfs/dbraw/zinc/38/97/50/195389750.db2.gz AXNFOJKTKGSHPM-NTUHNPAUSA-N 0 2 478.661 4.651 40 30 JJEBLN C#CCOc1cc(Br)c(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OCC ZINC000059135506 195390303 /nfs/dbraw/zinc/39/03/03/195390303.db2.gz JRPRZDUJZHNTRN-MHWRWJLKSA-N 0 2 487.281 4.506 40 30 JJEBLN CC1(C)[C@H]2CC[C@]1(C)/C(=N\N=C1\NC(=O)C(CC(=O)Nc3cccc(C(F)(F)F)c3)S1)C2 ZINC000010130820 520683078 /nfs/dbraw/zinc/68/30/78/520683078.db2.gz XXWMHCISGMYXJS-ATSQZADBSA-N 0 2 466.529 4.824 40 30 JJEBLN CC1(C)[C@H]2CC[C@]1(C)/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)S1)C2 ZINC000010130820 520683091 /nfs/dbraw/zinc/68/30/91/520683091.db2.gz XXWMHCISGMYXJS-ATSQZADBSA-N 0 2 466.529 4.824 40 30 JJEBLN CCc1ccc(S(=O)(=O)/N=C2/SC(CC(=O)Nc3ccccc3)C(=O)N2C2CCCCC2)cc1 ZINC000033675846 524009218 /nfs/dbraw/zinc/00/92/18/524009218.db2.gz YQJLFGVPMIKLPF-SIHNDCSESA-N 0 2 499.658 4.599 40 30 JJEBLN Cc1ccc(S(=O)(=O)/N=C2/SC(CC(=O)Nc3ccccc3C)C(=O)N2C2CCCCC2)cc1 ZINC000016662867 525482601 /nfs/dbraw/zinc/48/26/01/525482601.db2.gz UCKINWFHQPBMSA-GOTSBPSXSA-N 0 2 499.658 4.654 40 30 JJEBLN COc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 ZINC000102406951 536777046 /nfs/dbraw/zinc/77/70/46/536777046.db2.gz CVBPOPQTGBRDJH-PQHDRGKASA-N 0 2 459.571 4.898 40 30 JJEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 ZINC000102406951 536777052 /nfs/dbraw/zinc/77/70/52/536777052.db2.gz CVBPOPQTGBRDJH-PQHDRGKASA-N 0 2 459.571 4.898 40 30 JJEBLN O=C1/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000008819059 554703516 /nfs/dbraw/zinc/70/35/16/554703516.db2.gz LCWHIALVFMGZIQ-FFUSGOHISA-N 0 2 490.906 4.567 40 30 JJEBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000014132781 555700209 /nfs/dbraw/zinc/70/02/09/555700209.db2.gz HXTWOSQBVXPVJK-DEDYPNTBSA-N 0 2 484.581 4.881 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000012529337 555998984 /nfs/dbraw/zinc/99/89/84/555998984.db2.gz DKXUZJVMOUMEBE-DHRITJCHSA-N 0 2 494.451 4.869 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000012562705 556056853 /nfs/dbraw/zinc/05/68/53/556056853.db2.gz GVRRPZWYRBCYIB-LPYMAVHISA-N 0 2 460.899 4.504 40 30 JJEBLN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4cccs4)[C@H]3c3cccc(O)c3)c2c1 ZINC000015920378 556068472 /nfs/dbraw/zinc/06/84/72/556068472.db2.gz NNVRGKNKNSBUIE-HSZRJFAPSA-N 0 2 474.538 4.765 40 30 JJEBLN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2cc(Br)c(O)c(Br)c2O)S1 ZINC000059459381 569604069 /nfs/dbraw/zinc/60/40/69/569604069.db2.gz FDLDGLSSLYYANJ-GHXNOFRVSA-N 0 2 484.169 4.823 40 30 JJEBLN COc1ccc(Cl)cc1/N=C1/SC(CC(=O)Nc2cc(Cl)ccc2C)C(=O)N1C ZINC000101650492 569802419 /nfs/dbraw/zinc/80/24/19/569802419.db2.gz IDXJIONVYIXOMM-OVJLLXBISA-N 0 2 452.363 4.901 40 30 JJEBLN COc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2cc(Cl)ccc2C)C(=O)N1C ZINC000101650492 569802420 /nfs/dbraw/zinc/80/24/20/569802420.db2.gz IDXJIONVYIXOMM-OVJLLXBISA-N 0 2 452.363 4.901 40 30 JJEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@@H]2CCCO2)c(C)c1 ZINC000102962363 569830170 /nfs/dbraw/zinc/83/01/70/569830170.db2.gz GFVNNKVDKGHHJW-IXXPXPASSA-N 0 2 473.545 4.721 40 30 JJEBLN Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@@H]2CCCO2)c(C)c1 ZINC000102962363 569830171 /nfs/dbraw/zinc/83/01/71/569830171.db2.gz GFVNNKVDKGHHJW-IXXPXPASSA-N 0 2 473.545 4.721 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br ZINC000408769458 570038687 /nfs/dbraw/zinc/03/86/87/570038687.db2.gz VLRFSZTYUGDQIA-CXUHLZMHSA-N 0 2 489.753 4.951 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408782525 570042111 /nfs/dbraw/zinc/04/21/11/570042111.db2.gz HTHAQPXDWNYGEC-LFVJCYFKSA-N 0 2 497.507 4.877 40 30 JJEBLN C=CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O ZINC000408811694 570049286 /nfs/dbraw/zinc/04/92/86/570049286.db2.gz OEIXRLXNZBETCW-RVDMUPIBSA-N 0 2 475.726 4.642 40 30 JJEBLN C=CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000408849622 570055286 /nfs/dbraw/zinc/05/52/86/570055286.db2.gz XUOWCRJFOIHNOG-WOJGMQOQSA-N 0 2 499.361 4.696 40 30 JJEBLN N#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408854431 570056111 /nfs/dbraw/zinc/05/61/11/570056111.db2.gz FPSJKKZYCZWWRE-AFUMVMLFSA-N 0 2 481.552 4.723 40 30 JJEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1C#N ZINC000408855406 570056430 /nfs/dbraw/zinc/05/64/30/570056430.db2.gz MPPGSFJVBCORPT-ZVHZXABRSA-N 0 2 495.535 4.819 40 30 JJEBLN CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2O)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408929401 570079320 /nfs/dbraw/zinc/07/93/20/570079320.db2.gz YMOLDTPIQQFIJP-BRBBDLJVSA-N 0 2 452.536 4.915 40 30 JJEBLN N#Cc1c(N)ncc(-c2ccccc2)c1-c1cc(Br)cc(I)c1O ZINC000408978044 570090286 /nfs/dbraw/zinc/09/02/86/570090286.db2.gz GUFPYEWGDBTPMJ-UHFFFAOYSA-N 0 2 492.114 4.942 40 30 JJEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OC ZINC000408982623 570091162 /nfs/dbraw/zinc/09/11/62/570091162.db2.gz IMXZIYZGHADKCI-SXGWCWSVSA-N 0 2 489.753 4.814 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCC ZINC000409066781 570116673 /nfs/dbraw/zinc/11/66/73/570116673.db2.gz MGWZOBLSQQWAHB-QGOAFFKASA-N 0 2 468.937 4.841 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCCC ZINC000409072213 570118694 /nfs/dbraw/zinc/11/86/94/570118694.db2.gz MOPIQZBASRPRLT-GHRIWEEISA-N 0 2 454.910 4.532 40 30 JJEBLN CC1=NN(c2ccccc2)C(=O)[C@H]1C=Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000409078336 570120700 /nfs/dbraw/zinc/12/07/00/570120700.db2.gz HKXFRLGMKOZLBJ-IYAOEYEUSA-N 0 2 460.559 4.891 40 30 JJEBLN C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4OCC)C3=O)c2C)cc1 ZINC000409241569 570182099 /nfs/dbraw/zinc/18/20/99/570182099.db2.gz OMVWLRRXFROZPA-HAVVHWLPSA-N 0 2 485.540 4.724 40 30 JJEBLN COc1cccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000012621177 195056870 /nfs/dbraw/zinc/05/68/70/195056870.db2.gz XODJPBVMDBBVOO-JJIBRWJFSA-N 0 2 468.535 4.857 40 30 JJEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccccc2Cl)cc1 ZINC000012623460 195058065 /nfs/dbraw/zinc/05/80/65/195058065.db2.gz IOGKNQJSTYKKCU-OEAKJJBVSA-N 0 2 474.926 4.894 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(Cl)cc1 ZINC000096398874 130075485 /nfs/dbraw/zinc/07/54/85/130075485.db2.gz LHESXOPJXHDGKL-UCQKPKSFSA-N 0 2 474.926 4.894 40 30 JJEBLN COc1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000009373102 523470654 /nfs/dbraw/zinc/47/06/54/523470654.db2.gz OJUSCHUUPWZCAQ-YMVPSHTBSA-N 0 2 477.542 4.651 40 30 JJEBLN COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccco2)cc1 ZINC000009373102 523470669 /nfs/dbraw/zinc/47/06/69/523470669.db2.gz OJUSCHUUPWZCAQ-YMVPSHTBSA-N 0 2 477.542 4.651 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC(C)c2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000012311406 524646552 /nfs/dbraw/zinc/64/65/52/524646552.db2.gz WTNLENVXSXZPOY-CIAFOILYSA-N 0 2 480.955 4.955 40 30 JJEBLN CCOc1cc(/C=C2\CC/C(=C\c3cc(OCC)c(O)c([N+](=O)[O-])c3)C2=O)cc([N+](=O)[O-])c1O ZINC000013914806 555646621 /nfs/dbraw/zinc/64/66/21/555646621.db2.gz YREGHANSYHOEKU-BGPOSVGRSA-N 0 2 470.434 4.542 40 30 JJEBLN C=CCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)cc1Br ZINC000034880286 569668737 /nfs/dbraw/zinc/66/87/37/569668737.db2.gz HIAHZDNFSPSXJD-GNIMDGIVSA-N 0 2 450.383 4.846 40 30 JJEBLN COc1ccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(Cl)cc2)c(O)c1 ZINC000102984300 569830514 /nfs/dbraw/zinc/83/05/14/569830514.db2.gz YORFJEYAZCHQBO-YDZHTSKRSA-N 0 2 490.925 4.599 40 30 JJEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000408774430 570039802 /nfs/dbraw/zinc/03/98/02/570039802.db2.gz WWCAVUPWLNWGGJ-WOJGMQOQSA-N 0 2 499.361 4.696 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000408777274 570040523 /nfs/dbraw/zinc/04/05/23/570040523.db2.gz XKJCVRQAPPLMNZ-RIYZIHGNSA-N 0 2 496.144 4.987 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC ZINC000408798438 570044782 /nfs/dbraw/zinc/04/47/82/570044782.db2.gz FEUYMNINQNQYKK-XNTDXEJSSA-N 0 2 475.328 4.932 40 30 JJEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC ZINC000408802574 570046198 /nfs/dbraw/zinc/04/61/98/570046198.db2.gz YYPKWUQYCASTQI-RIYZIHGNSA-N 0 2 493.730 4.724 40 30 JJEBLN C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(C)cc3)cc2)C1=O ZINC000408836148 570053146 /nfs/dbraw/zinc/05/31/46/570053146.db2.gz ZLNKCJUIZBDAFU-JJIBRWJFSA-N 0 2 468.509 4.805 40 30 JJEBLN C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1Cl ZINC000408895297 570066886 /nfs/dbraw/zinc/06/68/86/570066886.db2.gz DTGZJEJTMPFKRJ-GDNBJRDFSA-N 0 2 475.726 4.642 40 30 JJEBLN C=CCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(OCCCC)cc2)C1=O ZINC000408898316 570067736 /nfs/dbraw/zinc/06/77/36/570067736.db2.gz KXFSZSSMYRCODF-HKWRFOASSA-N 0 2 499.361 4.859 40 30 JJEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408947258 570083594 /nfs/dbraw/zinc/08/35/94/570083594.db2.gz BMPQFZLCNYJTSI-CVKSISIWSA-N 0 2 480.564 4.833 40 30 JJEBLN COc1ccc(N=C2S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2Cc2ccco2)cc1 ZINC000408966017 570087537 /nfs/dbraw/zinc/08/75/37/570087537.db2.gz YQSHIWQZRPKZCH-GWBOVJIUSA-N 0 2 451.460 4.706 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC ZINC000408982639 570091238 /nfs/dbraw/zinc/09/12/38/570091238.db2.gz IRQAKQTWNGTVGT-PDGQHHTCSA-N 0 2 454.910 4.532 40 30 JJEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCC ZINC000408983027 570091330 /nfs/dbraw/zinc/09/13/30/570091330.db2.gz JSRBCNJDNDAMIG-UYRXBGFRSA-N 0 2 483.362 4.805 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000408983579 570091445 /nfs/dbraw/zinc/09/14/45/570091445.db2.gz MLMYAOAOMLDYFP-SXGWCWSVSA-N 0 2 475.328 4.932 40 30 JJEBLN C#CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000409046196 570108869 /nfs/dbraw/zinc/10/88/69/570108869.db2.gz JLYXZMNLCGQKFI-OVCLIPMQSA-N 0 2 463.704 4.634 40 30 JJEBLN C=CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000409066594 570116665 /nfs/dbraw/zinc/11/66/65/570116665.db2.gz LRENTFVXLUWFSF-DEDYPNTBSA-N 0 2 466.921 4.698 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCCC ZINC000409070878 570118227 /nfs/dbraw/zinc/11/82/27/570118227.db2.gz HFMCVKQFPPYRKY-XDHOZWIPSA-N 0 2 468.937 4.841 40 30 JJEBLN CCOc1ccc(/N=C2/SC(CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2C)cc1 ZINC000059254541 195396504 /nfs/dbraw/zinc/39/65/04/195396504.db2.gz YOJVUQPZFXSQPG-OVJLLXBISA-N 0 2 452.363 4.982 40 30 JJEBLN CCOc1ccc(NC(=O)CC2S/C(=N/c3cc(Cl)cc(Cl)c3)N(C)C2=O)cc1 ZINC000102406618 130127172 /nfs/dbraw/zinc/12/71/72/130127172.db2.gz TYTMMAKYJPFLPH-OCLJWFPGSA-N 0 2 452.363 4.982 40 30 JJEBLN CCOc1ccc(NC(=O)C[C@H]2S/C(=N/c3cc(Cl)cc(Cl)c3)N(C)C2=O)cc1 ZINC000102406618 130127175 /nfs/dbraw/zinc/12/71/75/130127175.db2.gz TYTMMAKYJPFLPH-OCLJWFPGSA-N 0 2 452.363 4.982 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1cc2ccccc2o1 ZINC000033546276 524642939 /nfs/dbraw/zinc/64/29/39/524642939.db2.gz JKTKLCZAIZPFSQ-IWIPYMOSSA-N 0 2 480.502 4.987 40 30 JJEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@H]2CCCO2)c(C)c1 ZINC000015912455 525971416 /nfs/dbraw/zinc/97/14/16/525971416.db2.gz GFVNNKVDKGHHJW-WPBJWYGASA-N 0 2 473.545 4.721 40 30 JJEBLN Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@H]2CCCO2)c(C)c1 ZINC000015912455 525971427 /nfs/dbraw/zinc/97/14/27/525971427.db2.gz GFVNNKVDKGHHJW-WPBJWYGASA-N 0 2 473.545 4.721 40 30 JJEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@H]2CCCO2)c(C)c1 ZINC000015912457 525971476 /nfs/dbraw/zinc/97/14/76/525971476.db2.gz GFVNNKVDKGHHJW-GIJILXCISA-N 0 2 473.545 4.721 40 30 JJEBLN Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@H]2CCCO2)c(C)c1 ZINC000015912457 525971483 /nfs/dbraw/zinc/97/14/83/525971483.db2.gz GFVNNKVDKGHHJW-GIJILXCISA-N 0 2 473.545 4.721 40 30 JJEBLN Cc1ccc([N+](=O)[O-])cc1/N=C1\SC(CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C ZINC000016311774 526069274 /nfs/dbraw/zinc/06/92/74/526069274.db2.gz NFDZINBSYOYTKH-XZHXWOGCSA-N 0 2 466.441 4.512 40 30 JJEBLN Cc1ccc([N+](=O)[O-])cc1/N=C1\S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1C ZINC000016311774 526069288 /nfs/dbraw/zinc/06/92/88/526069288.db2.gz NFDZINBSYOYTKH-XZHXWOGCSA-N 0 2 466.441 4.512 40 30 JJEBLN COc1ccc(/N=C2\S[C@H](CC(=O)NCc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000102819549 536615525 /nfs/dbraw/zinc/61/55/25/536615525.db2.gz ZDWWLXPUMICKDH-SBGXGKRISA-N 0 2 477.561 4.673 40 30 JJEBLN COc1ccc(/N=C2\SC(CC(=O)NCc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000102819549 536615528 /nfs/dbraw/zinc/61/55/28/536615528.db2.gz ZDWWLXPUMICKDH-SBGXGKRISA-N 0 2 477.561 4.673 40 30 JJEBLN COc1ccc(/N=C2\S[C@H](CC(=O)NCCc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000020248012 555742490 /nfs/dbraw/zinc/74/24/90/555742490.db2.gz PIUWOLXNMKTJIP-FJOMVMCCSA-N 0 2 491.588 4.715 40 30 JJEBLN COc1ccc(/N=C2\SC(CC(=O)NCCc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000020248012 555742492 /nfs/dbraw/zinc/74/24/92/555742492.db2.gz PIUWOLXNMKTJIP-FJOMVMCCSA-N 0 2 491.588 4.715 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1cc2ccccc2o1 ZINC000012584752 556082271 /nfs/dbraw/zinc/08/22/71/556082271.db2.gz JKTKLCZAIZPFSQ-BUVRLJJBSA-N 0 2 480.502 4.987 40 30 JJEBLN O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000100041896 569751848 /nfs/dbraw/zinc/75/18/48/569751848.db2.gz ZFNFUONJWJUELL-UHFFFAOYSA-N 0 2 458.092 4.816 40 30 JJEBLN CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)S/C1=N/c1cc(Cl)c(O)c(Cl)c1 ZINC000101591858 569801591 /nfs/dbraw/zinc/80/15/91/569801591.db2.gz LHMBEWDUDPATHS-AEKNLGIRSA-N 0 2 468.362 4.688 40 30 JJEBLN CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)S/C1=N/c1cc(Cl)c(O)c(Cl)c1 ZINC000101591864 569801621 /nfs/dbraw/zinc/80/16/21/569801621.db2.gz LHMBEWDUDPATHS-MLVIZHJXSA-N 0 2 468.362 4.688 40 30 JJEBLN COC(=O)c1ccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000101597891 569801729 /nfs/dbraw/zinc/80/17/29/569801729.db2.gz NQHIUBBCFQVAAB-ZLFZTWPOSA-N 0 2 491.544 4.773 40 30 JJEBLN COC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(F)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000101597891 569801730 /nfs/dbraw/zinc/80/17/30/569801730.db2.gz NQHIUBBCFQVAAB-ZLFZTWPOSA-N 0 2 491.544 4.773 40 30 JJEBLN COc1ccc(Cl)cc1/N=C1/SC(CC(=O)Nc2ccc(Cl)cc2C)C(=O)N1C ZINC000101650496 569802529 /nfs/dbraw/zinc/80/25/29/569802529.db2.gz MVIATMBGJLYCIX-OCLJWFPGSA-N 0 2 452.363 4.901 40 30 JJEBLN COc1ccc(Cl)cc1/N=C1/S[C@H](CC(=O)Nc2ccc(Cl)cc2C)C(=O)N1C ZINC000101650496 569802532 /nfs/dbraw/zinc/80/25/32/569802532.db2.gz MVIATMBGJLYCIX-OCLJWFPGSA-N 0 2 452.363 4.901 40 30 JJEBLN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@H]2CCCO2)c(C)c1 ZINC000112362002 569861272 /nfs/dbraw/zinc/86/12/72/569861272.db2.gz GFVNNKVDKGHHJW-AMAAFUHYSA-N 0 2 473.545 4.721 40 30 JJEBLN Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@H]2CCCO2)c(C)c1 ZINC000112362002 569861273 /nfs/dbraw/zinc/86/12/73/569861273.db2.gz GFVNNKVDKGHHJW-AMAAFUHYSA-N 0 2 473.545 4.721 40 30 JJEBLN Cc1cc(-c2ccc(C=N[N-]c3nc(Nc4ccccc4)nc(N4CCCCC4)[nH+]3)o2)ccc1[N+](=O)[O-] ZINC000408727503 570028337 /nfs/dbraw/zinc/02/83/37/570028337.db2.gz QBTRVFUZQXQSEV-WPWMEQJKSA-N 0 2 498.547 4.950 40 30 JJEBLN C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1CC=C ZINC000408791533 570044080 /nfs/dbraw/zinc/04/40/80/570044080.db2.gz ZVBYXVVTQMUASR-LDADJPATSA-N 0 2 499.748 4.509 40 30 JJEBLN CCN1C(=O)/C(=C/c2cccn2-c2ccc([NH+](C)C)cc2)SC1=Nc1cccc(C(=O)[O-])c1 ZINC000408960497 570085640 /nfs/dbraw/zinc/08/56/40/570085640.db2.gz MJXSJTJDTJAAJA-JUQJSGDGSA-N 0 2 460.559 4.865 40 30 JJEBLN Cc1cc(C(=O)[O-])ccc1N=C1S/C(=C\c2cccn2-c2ccc([NH+](C)C)cc2)C(=O)N1C ZINC000408960479 570085697 /nfs/dbraw/zinc/08/56/97/570085697.db2.gz MAKAAFDZLVCYEA-JXJWTFEASA-N 0 2 460.559 4.784 40 30 JJEBLN C=CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000409049461 570109541 /nfs/dbraw/zinc/10/95/41/570109541.db2.gz WYWVJROXEYADLL-OVCLIPMQSA-N 0 2 451.693 4.878 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1OC ZINC000409066652 570116624 /nfs/dbraw/zinc/11/66/24/570116624.db2.gz PEQZVENTTNGRIK-MHWRWJLKSA-N 0 2 475.328 4.796 40 30 JJEBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000409070686 570118053 /nfs/dbraw/zinc/11/80/53/570118053.db2.gz GJULEGMOQJCXEG-WOJGMQOQSA-N 0 2 479.323 4.939 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCCC ZINC000409073622 570119215 /nfs/dbraw/zinc/11/92/15/570119215.db2.gz WNEIKJGXAGQVPY-XSFVSMFZSA-N 0 2 468.937 4.922 40 30 JJEBLN CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000408539101 570191269 /nfs/dbraw/zinc/19/12/69/570191269.db2.gz STBGWJJJBRSZRZ-PGMHBOJBSA-N 0 2 466.534 4.807 40 30 JJEBLN O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1cc([N+](=O)[O-])ccc1O ZINC000409281608 570191323 /nfs/dbraw/zinc/19/13/23/570191323.db2.gz NCBVWHAXLYGPQK-UHFFFAOYSA-N 0 2 454.364 4.578 40 30 JJEBLN C=CCOc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)cc1 ZINC000059104420 195387896 /nfs/dbraw/zinc/38/78/96/195387896.db2.gz WAPBKHOSXHALOY-LPYMAVHISA-N 0 2 485.496 4.894 40 30 JJEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OC ZINC000059135555 195390223 /nfs/dbraw/zinc/39/02/23/195390223.db2.gz ULGIJNUWOVBYKZ-MHWRWJLKSA-N 0 2 459.271 4.832 40 30 JJEBLN CCc1ccc(S(=O)(=O)/N=C2/SC(CC(=O)Nc3ccccc3)C(=O)N2C2CCCCC2)cc1 ZINC000033675842 524008909 /nfs/dbraw/zinc/00/89/09/524008909.db2.gz YQJLFGVPMIKLPF-GOTSBPSXSA-N 0 2 499.658 4.599 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1c(F)cccc1Cl ZINC000009373609 524641359 /nfs/dbraw/zinc/64/13/59/524641359.db2.gz RCUMFOKWLIPRRF-FSJBWODESA-N 0 2 478.889 4.643 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000033042569 524645232 /nfs/dbraw/zinc/64/52/32/524645232.db2.gz XMALDKICVFSUPE-CLCOLTQESA-N 0 2 466.519 4.557 40 30 JJEBLN CCOc1cccc(NC(=O)CC2S/C(=N\c3cc(Cl)cc(Cl)c3)N(C)C2=O)c1 ZINC000020177818 555683398 /nfs/dbraw/zinc/68/33/98/555683398.db2.gz SYZFIFPWADHURB-BJUXRVGASA-N 0 2 452.363 4.982 40 30 JJEBLN CCOc1cccc(NC(=O)C[C@H]2S/C(=N\c3cc(Cl)cc(Cl)c3)N(C)C2=O)c1 ZINC000020177818 555683402 /nfs/dbraw/zinc/68/34/02/555683402.db2.gz SYZFIFPWADHURB-BJUXRVGASA-N 0 2 452.363 4.982 40 30 JJEBLN CNC(=O)C[C@@H]1S/C(=N\c2cccc(C(F)(F)F)c2)N(CCc2ccc(Cl)cc2)C1=O ZINC000020220208 555716862 /nfs/dbraw/zinc/71/68/62/555716862.db2.gz OTBBCJWEIWGVFZ-KOBRTSCRSA-N 0 2 469.916 4.669 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC(C)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000033785291 569634987 /nfs/dbraw/zinc/63/49/87/569634987.db2.gz IZVJAHBFTNUTCB-UCQKPKSFSA-N 0 2 474.926 4.894 40 30 JJEBLN O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1O ZINC000408741042 570032174 /nfs/dbraw/zinc/03/21/74/570032174.db2.gz JNWGNCUWNUGOMS-ACAGNQJTSA-N 0 2 454.689 4.608 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCC ZINC000408777637 570040644 /nfs/dbraw/zinc/04/06/44/570040644.db2.gz DUEQZYMDALRAGL-WOJGMQOQSA-N 0 2 454.910 4.587 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000408783186 570042264 /nfs/dbraw/zinc/04/22/64/570042264.db2.gz LUIJGBNFXQLMQI-RIYZIHGNSA-N 0 2 451.693 4.878 40 30 JJEBLN C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 ZINC000408786015 570043066 /nfs/dbraw/zinc/04/30/66/570043066.db2.gz DZWBONLTCFCXAP-PCLIKHOPSA-N 0 2 469.541 4.942 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 ZINC000408786602 570043283 /nfs/dbraw/zinc/04/32/83/570043283.db2.gz LGKUAJROEXVAGB-JJIBRWJFSA-N 0 2 452.510 4.969 40 30 JJEBLN C=CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000408800473 570045343 /nfs/dbraw/zinc/04/53/43/570045343.db2.gz MRIVMTITNRQRNX-NTEUORMPSA-N 0 2 496.144 4.987 40 30 JJEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1OCC ZINC000408804310 570046867 /nfs/dbraw/zinc/04/68/67/570046867.db2.gz XHUMNHAWHHVRJM-GZTJUZNOSA-N 0 2 499.361 4.696 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000408804133 570046878 /nfs/dbraw/zinc/04/68/78/570046878.db2.gz WFEUIXNCOBLEOV-WOJGMQOQSA-N 0 2 454.910 4.587 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000408806834 570047813 /nfs/dbraw/zinc/04/78/13/570047813.db2.gz BYCMNFMWAXRDQX-CXUHLZMHSA-N 0 2 461.301 4.623 40 30 JJEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Br ZINC000408808333 570048314 /nfs/dbraw/zinc/04/83/14/570048314.db2.gz FOPUKAGEPXHKPB-OQLLNIDSSA-N 0 2 475.726 4.642 40 30 JJEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OCC ZINC000408818480 570051263 /nfs/dbraw/zinc/05/12/63/570051263.db2.gz VOEJTKLAHQBBMV-GZTJUZNOSA-N 0 2 499.361 4.696 40 30 JJEBLN C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1Cl ZINC000408821544 570051941 /nfs/dbraw/zinc/05/19/41/570051941.db2.gz ISBJLGMMCWVREJ-JYRVWZFOSA-N 0 2 483.229 4.691 40 30 JJEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1 ZINC000408834808 570053098 /nfs/dbraw/zinc/05/30/98/570053098.db2.gz MCUVJHKTEGAJGN-KOEQRZSOSA-N 0 2 468.509 4.805 40 30 JJEBLN C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCCC)cc3)C2=O)cc1Cl ZINC000408895268 570066861 /nfs/dbraw/zinc/06/68/61/570066861.db2.gz DJPMNTWORJWMSM-RGEXLXHISA-N 0 2 454.910 4.750 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCCC)cc3)C2=O)cc1OC ZINC000408898954 570067914 /nfs/dbraw/zinc/06/79/14/570067914.db2.gz NKFGPCORBPKPDL-UYRXBGFRSA-N 0 2 484.936 4.759 40 30 JJEBLN Cc1c(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000408913974 570074283 /nfs/dbraw/zinc/07/42/83/570074283.db2.gz WPDKCAYBXXSMDT-ZVHZXABRSA-N 0 2 478.483 4.675 40 30 JJEBLN C=CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408984572 570091890 /nfs/dbraw/zinc/09/18/90/570091890.db2.gz RYCKTNRLGVCUGB-NVNXTCNLSA-N 0 2 461.301 4.542 40 30 JJEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OCC ZINC000408987216 570092744 /nfs/dbraw/zinc/09/27/44/570092744.db2.gz FDHMFKPPCIIGFQ-UNOMPAQXSA-N 0 2 468.937 4.841 40 30 JJEBLN C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000408988547 570093223 /nfs/dbraw/zinc/09/32/23/570093223.db2.gz RFGYOBWOWDABGM-DHDCSXOGSA-N 0 2 475.726 4.642 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OC ZINC000409070677 570118132 /nfs/dbraw/zinc/11/81/32/570118132.db2.gz OLRGMFBZWDUFHX-LFVJCYFKSA-N 0 2 498.535 4.678 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409074110 570119313 /nfs/dbraw/zinc/11/93/13/570119313.db2.gz KFRFAZSOBPMNCX-LFVJCYFKSA-N 0 2 482.536 4.978 40 30 JJEBLN O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000409296383 570195480 /nfs/dbraw/zinc/19/54/80/570195480.db2.gz QUVRYXHMDQKWGB-UHFFFAOYSA-N 0 2 460.833 4.959 40 30 JJEBLN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1C(C)C ZINC000409307853 570198431 /nfs/dbraw/zinc/19/84/31/570198431.db2.gz WOIFCXBYXNFVDG-UHFFFAOYSA-N 0 2 472.501 5.000 40 30 JJEBLN O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000409312044 570199246 /nfs/dbraw/zinc/19/92/46/570199246.db2.gz JBKZDIVABHJLKB-UHFFFAOYSA-N 0 2 471.311 4.703 40 30 JJEBLN CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 ZINC000012599701 195045041 /nfs/dbraw/zinc/04/50/41/195045041.db2.gz KPIGPTRVJVMUGB-YDZHTSKRSA-N 0 2 488.909 4.614 40 30 JJEBLN CCOc1ccc(NC(=O)CC2S/C(=N/c3cc(Cl)cc(Cl)c3)N(C)C2=O)cc1 ZINC000102406622 130127099 /nfs/dbraw/zinc/12/70/99/130127099.db2.gz TYTMMAKYJPFLPH-OVJLLXBISA-N 0 2 452.363 4.982 40 30 JJEBLN CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cc(Cl)cc(Cl)c3)N(C)C2=O)cc1 ZINC000102406622 130127100 /nfs/dbraw/zinc/12/71/00/130127100.db2.gz TYTMMAKYJPFLPH-OVJLLXBISA-N 0 2 452.363 4.982 40 30 JJEBLN Cc1ccc(S(=O)(=O)/N=C2/SC(CC(=O)Nc3ccccc3C)C(=O)N2C2CCCCC2)cc1 ZINC000016662870 525482243 /nfs/dbraw/zinc/48/22/43/525482243.db2.gz UCKINWFHQPBMSA-SIHNDCSESA-N 0 2 499.658 4.654 40 30 JJEBLN CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\N=C1\NC(=O)C(CC(=O)Nc3ccc(Br)cc3)S1)C2 ZINC000001470551 553976951 /nfs/dbraw/zinc/97/69/51/553976951.db2.gz SUTNLVFOKIDYPE-SORXGTKQSA-N 0 2 477.428 4.568 40 30 JJEBLN CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)S1)C2 ZINC000001470551 553976953 /nfs/dbraw/zinc/97/69/53/553976953.db2.gz SUTNLVFOKIDYPE-SORXGTKQSA-N 0 2 477.428 4.568 40 30 JJEBLN COc1ccc(/C(C)=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)S2)cc1 ZINC000012529292 555999064 /nfs/dbraw/zinc/99/90/64/555999064.db2.gz NWUXALSFFUNXOX-MFYUCYCASA-N 0 2 498.914 4.708 40 30 JJEBLN COc1ccc(/C(C)=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)S2)cc1 ZINC000012529292 555999066 /nfs/dbraw/zinc/99/90/66/555999066.db2.gz NWUXALSFFUNXOX-MFYUCYCASA-N 0 2 498.914 4.708 40 30 JJEBLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc(Cl)cc1 ZINC000012562698 556056968 /nfs/dbraw/zinc/05/69/68/556056968.db2.gz LEDMHMLBGFBQKM-LPYMAVHISA-N 0 2 460.899 4.504 40 30 JJEBLN COc1ccc(CCN2C(=O)C(=O)C(C(=O)c3ccco3)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000015920282 556067652 /nfs/dbraw/zinc/06/76/52/556067652.db2.gz SLZZUMQTBQDXRN-JOCHJYFZSA-N 0 2 467.905 4.771 40 30 JJEBLN Oc1c(Cl)cc(Cl)cc1/C=N/N1CCN(/N=C\c2cc(Cl)cc(Cl)c2O)CC1 ZINC000017422575 556260671 /nfs/dbraw/zinc/26/06/71/556260671.db2.gz DNUZXXAEMRXZRB-NFXRTZMGSA-N 0 2 462.164 4.697 40 30 JJEBLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccccc2Cl)cc1 ZINC000033737643 569632856 /nfs/dbraw/zinc/63/28/56/569632856.db2.gz IOGKNQJSTYKKCU-UCQKPKSFSA-N 0 2 474.926 4.894 40 30 JJEBLN O=C1C(C(O)(C(F)(F)Cl)C(F)(F)Cl)CCC[C@@H]1C(O)(C(F)(F)Cl)C(F)(F)Cl ZINC000073353215 569704362 /nfs/dbraw/zinc/70/43/62/569704362.db2.gz QKONRKQREILPSO-WHFBIAKZSA-N 0 2 496.005 4.760 40 30 JJEBLN CCOc1cc([N+](=O)[O-])cc(/C=N/c2c(Br)cc(O)cc2Br)c1O ZINC000038162405 569799572 /nfs/dbraw/zinc/79/95/72/569799572.db2.gz MDHDCEZTZFDDCV-CNHKJKLMSA-N 0 2 460.078 4.680 40 30 JJEBLN COc1ccc(-c2n[nH]c(=S)n2N=Cc2cc(Br)cc(Br)c2O)cc1 ZINC000051376613 569852331 /nfs/dbraw/zinc/85/23/31/569852331.db2.gz SKDVOIHXFHDEKM-UWVJOHFNSA-N 0 2 484.173 4.729 40 30 JJEBLN Fc1ccc(-c2ccc(C=N[N-]c3nc(Nc4ccccc4)nc(N4CCCC4)[nH+]3)o2)c(F)c1 ZINC000408603582 569970053 /nfs/dbraw/zinc/97/00/53/569970053.db2.gz RTROUUMHBMZQQT-JFLMPSFJSA-N 0 2 461.476 4.622 40 30 JJEBLN Cc1nc2sc3c(c2c(=O)n1/N=C/c1cc(Br)c(O)c(Br)c1)CCCC3 ZINC000408719502 570026334 /nfs/dbraw/zinc/02/63/34/570026334.db2.gz QVTANXWOWROMFV-ODCIPOBUSA-N 0 2 497.212 4.758 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC ZINC000408782605 570042080 /nfs/dbraw/zinc/04/20/80/570042080.db2.gz XAGWOWYODSSHNC-LDADJPATSA-N 0 2 469.335 4.551 40 30 JJEBLN C=CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCC ZINC000408791605 570044072 /nfs/dbraw/zinc/04/40/72/570044072.db2.gz ZJANNUBEXALYMD-PXLXIMEGSA-N 0 2 460.530 4.662 40 30 JJEBLN C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000408794721 570044336 /nfs/dbraw/zinc/04/43/36/570044336.db2.gz BFZCSNIAZFHJHA-NTEUORMPSA-N 0 2 451.693 4.878 40 30 JJEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC ZINC000408801967 570046031 /nfs/dbraw/zinc/04/60/31/570046031.db2.gz XILNYYWCJQZGDL-XQNSMLJCSA-N 0 2 484.508 4.505 40 30 JJEBLN C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 ZINC000408852123 570055752 /nfs/dbraw/zinc/05/57/52/570055752.db2.gz ILKFPFIVXHLPQX-PCLIKHOPSA-N 0 2 469.541 4.942 40 30 JJEBLN N#Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408949373 570083832 /nfs/dbraw/zinc/08/38/32/570083832.db2.gz HULPWGLYTJXPQT-WYMPLXKRSA-N 0 2 451.526 4.692 40 30 JJEBLN Cc1c(N=C2S/C(=C\c3cccn3-c3ccc([NH+](C)C)cc3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408960044 570085552 /nfs/dbraw/zinc/08/55/52/570085552.db2.gz ILJOHZRRNCBWND-JXJWTFEASA-N 0 2 460.559 4.784 40 30 JJEBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4C#N)c4ccccc34)C2=O)cc1 ZINC000408982724 570091230 /nfs/dbraw/zinc/09/12/30/570091230.db2.gz DYXOIVQXSYXSNW-MYYYXRDXSA-N 0 2 474.520 4.790 40 30 JJEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCCC ZINC000409070458 570118165 /nfs/dbraw/zinc/11/81/65/570118165.db2.gz XVWOLFZQAKPTPG-DEDYPNTBSA-N 0 2 468.937 4.922 40 30 JJEBLN