smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000001093431 551607277 /nfs/dbraw/zinc/60/72/77/551607277.db2.gz PEDRZLPFYMVTBK-ZDLGFXPLSA-N -2 0 541.343 4.946 40 10 KJCBRL COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000002518757 552126721 /nfs/dbraw/zinc/12/67/21/552126721.db2.gz STHXXHHMALVKOC-JAIQZWGSSA-N -2 0 567.417 4.566 40 10 KJCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1/N=N/c1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000004523161 552462825 /nfs/dbraw/zinc/46/28/25/552462825.db2.gz QFODNPVMQLYJIE-BYYHNAKLSA-N -2 0 540.579 4.892 40 10 KJCBRL O=C(Nc1ccc(S(=O)(=O)[O-])cc1)c1ccc(NN=C2C=C(S(=O)(=O)[O-])c3ccccc3C2=O)cc1 ZINC000004705997 552472033 /nfs/dbraw/zinc/47/20/33/552472033.db2.gz NWOUADTWSVMHTR-OCEACIFDSA-N -2 0 527.536 4.707 40 10 KJCBRL Cc1ccc(Nc2ccc(Nc3ccc(C)cc3S(=O)(=O)[O-])c3c2C(=O)c2cccc(O)c2C3=O)c(S(=O)(=O)[O-])c1 ZINC000004706998 552472228 /nfs/dbraw/zinc/47/22/28/552472228.db2.gz QNCHUVVZYAZOHD-UHFFFAOYSA-N -2 0 594.623 4.765 40 10 KJCBRL Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000004707588 552472239 /nfs/dbraw/zinc/47/22/39/552472239.db2.gz JYXGDZFDMPUXTI-JQRDNDPDSA-N -3 0 607.604 4.699 40 10 KJCBRL Nc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1C(=O)C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C=C2 ZINC000004707589 552472341 /nfs/dbraw/zinc/47/23/41/552472341.db2.gz JYMNCHGLWDWNND-JQRDNDPDSA-N -3 0 607.604 4.699 40 10 KJCBRL O=C1C=C(S(=O)(=O)[O-])C=C2C=C(S(=O)(=O)[O-])C(=NNc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)C(O)=C12 ZINC000004804169 552487290 /nfs/dbraw/zinc/48/72/90/552487290.db2.gz TYVGSUNDGUVWQC-QSZPNPOGSA-N -3 0 608.588 4.822 40 10 KJCBRL Cc1[n-]n(-c2cc(S(=O)(=O)[O-])ccc2Cl)c(=O)c1N=Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000004887217 552488598 /nfs/dbraw/zinc/48/85/98/552488598.db2.gz GOCOTPIVSWZTKC-CYYJNZCTSA-N -3 0 592.011 4.701 40 10 KJCBRL Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccc(S(=O)(=O)[N-]c5nccs5)cc4)o3)C2=O)cc1Cl ZINC000008442296 553043324 /nfs/dbraw/zinc/04/33/24/553043324.db2.gz UDCWCXAFKZOYDF-UYRXBGFRSA-N -2 0 541.010 4.627 40 10 KJCBRL CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2cccs2)c2ccccc2c1O ZINC000008974134 553195795 /nfs/dbraw/zinc/19/57/95/553195795.db2.gz NMVYLYFHYOYPMB-KRWDZBQOSA-N -2 0 501.504 4.574 40 10 KJCBRL CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2cccs2)c2ccccc2c1O ZINC000008974136 553195748 /nfs/dbraw/zinc/19/57/48/553195748.db2.gz NMVYLYFHYOYPMB-QGZVFWFLSA-N -2 0 501.504 4.574 40 10 KJCBRL Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000009263211 553228642 /nfs/dbraw/zinc/22/86/42/553228642.db2.gz JQSCAQKLWAYXRY-UNOMPAQXSA-N -2 0 507.999 4.894 40 10 KJCBRL Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000009265230 553229839 /nfs/dbraw/zinc/22/98/39/553229839.db2.gz WVQQOQWXDVGXPQ-ZDLGFXPLSA-N -2 0 511.962 4.725 40 10 KJCBRL O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000009310879 553239106 /nfs/dbraw/zinc/23/91/06/553239106.db2.gz NQGZKFODXWQMOB-ZDLGFXPLSA-N -2 0 511.317 4.937 40 10 KJCBRL O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)SC1=S ZINC000033567741 553962967 /nfs/dbraw/zinc/96/29/67/553962967.db2.gz WXSHDGCXJHINHP-JVXNRYDGSA-N -2 0 505.879 4.748 40 10 KJCBRL O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)SC1=S ZINC000033567743 553962951 /nfs/dbraw/zinc/96/29/51/553962951.db2.gz WXSHDGCXJHINHP-KXQKXUNCSA-N -2 0 505.879 4.748 40 10 KJCBRL COc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000034201522 553981149 /nfs/dbraw/zinc/98/11/49/553981149.db2.gz LHDFQBXXSIPTMX-BKUYFWCQSA-N -2 0 518.547 4.653 40 10 KJCBRL O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)SC1=S ZINC000040564481 554287655 /nfs/dbraw/zinc/28/76/55/554287655.db2.gz ZRHKKNJLEUXZDB-JVXNRYDGSA-N -2 0 505.879 4.748 40 10 KJCBRL O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)SC1=S ZINC000040564485 554287707 /nfs/dbraw/zinc/28/77/07/554287707.db2.gz ZRHKKNJLEUXZDB-KXQKXUNCSA-N -2 0 505.879 4.748 40 10 KJCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000044459954 554302175 /nfs/dbraw/zinc/30/21/75/554302175.db2.gz ARCFLLTXXLHMHH-OCOZRVBESA-N -2 0 528.568 4.625 40 10 KJCBRL O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Br)c([O-])c(Br)c1 ZINC000059135691 554381726 /nfs/dbraw/zinc/38/17/26/554381726.db2.gz IICDYWAFBFFJCH-WEVVVXLNSA-N -2 0 500.143 4.728 40 10 KJCBRL CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)[O-])c(Cl)c4)c3C)C(=O)[N-]C2=S)cc1 ZINC000059248798 554387157 /nfs/dbraw/zinc/38/71/57/554387157.db2.gz BTOZMFVXWVMGNF-CIAFOILYSA-N -2 0 507.999 4.839 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000059249395 554387151 /nfs/dbraw/zinc/38/71/51/554387151.db2.gz ZBKJJTAUXHYPIS-SRZZPIQSSA-N -2 0 507.999 4.894 40 10 KJCBRL CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)[O-])c(Cl)c3)c2C)C(=O)[N-]C1=S ZINC000059249429 554387132 /nfs/dbraw/zinc/38/71/32/554387132.db2.gz UUUAMJWCRAAVKD-UDWIEESQSA-N -2 0 507.999 4.839 40 10 KJCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000096585813 553756439 /nfs/dbraw/zinc/75/64/39/553756439.db2.gz QCBHAWLEZVMIGI-HMAPJEAMSA-N -2 0 516.506 4.878 40 10 KJCBRL Cc1[n-]n(-c2ccc(Cl)cc2S(=O)(=O)[O-])c(=O)c1N=Nc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000097943341 553768561 /nfs/dbraw/zinc/76/85/61/553768561.db2.gz FUIFCOARNSUCDE-OZSVZHKOSA-N -2 0 563.013 4.538 40 10 KJCBRL CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000100159853 554234065 /nfs/dbraw/zinc/23/40/65/554234065.db2.gz GAKNSHXKUDPMAL-BKUYFWCQSA-N -2 0 549.377 4.955 40 10 KJCBRL COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000100201582 554247005 /nfs/dbraw/zinc/24/70/05/554247005.db2.gz AMWBBSFCGUFOAX-NDENLUEZSA-N -2 0 565.376 4.710 40 10 KJCBRL Cc1[n-]n(-c2ccc(Cl)cc2S(=O)(=O)[O-])c(=O)c1N=Nc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000100253994 554263704 /nfs/dbraw/zinc/26/37/04/554263704.db2.gz FUIFCOARNSUCDE-FPEJUQHSSA-N -2 0 563.013 4.538 40 10 KJCBRL Cc1[n-]n(-c2ccc(Cl)cc2S(=O)(=O)[O-])c(=O)c1N=Nc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000100254000 554263732 /nfs/dbraw/zinc/26/37/32/554263732.db2.gz FUIFCOARNSUCDE-VQAHOFKPSA-N -2 0 563.013 4.538 40 10 KJCBRL Cc1[n-]n(-c2ccc(Cl)cc2S(=O)(=O)[O-])c(=O)c1N=Nc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000100254006 554263788 /nfs/dbraw/zinc/26/37/88/554263788.db2.gz FUIFCOARNSUCDE-PSCYQSDVSA-N -2 0 563.013 4.538 40 10 KJCBRL COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000100312597 554301509 /nfs/dbraw/zinc/30/15/09/554301509.db2.gz WANDIGSXSAGRBJ-NDENLUEZSA-N -2 0 567.417 4.566 40 10 KJCBRL O=C([O-])c1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(F)cc4)C3=O)cc2Br)cc1 ZINC000100444596 554393964 /nfs/dbraw/zinc/39/39/64/554393964.db2.gz PPRLJROEFKLDRZ-ODLFYWEKSA-N -2 0 555.381 4.697 40 10 KJCBRL Cc1cc(NC(=O)c2ccc(N)cc2)ccc1/N=N\c1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000100454344 554395655 /nfs/dbraw/zinc/39/56/55/554395655.db2.gz QFODNPVMQLYJIE-DQSJHHFOSA-N -2 0 540.579 4.892 40 10 KJCBRL Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(S(=O)(=O)[O-])cc1 ZINC000100525236 554409840 /nfs/dbraw/zinc/40/98/40/554409840.db2.gz ISEVYNJOIAPBEP-DUPNKOKHSA-N -2 0 520.390 4.694 40 10 KJCBRL Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(S(=O)(=O)[O-])cc1 ZINC000100525240 554409860 /nfs/dbraw/zinc/40/98/60/554409860.db2.gz ISEVYNJOIAPBEP-AWZKZOKMSA-N -2 0 520.390 4.694 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000100955731 554539252 /nfs/dbraw/zinc/53/92/52/554539252.db2.gz BLAZOIHOSIQUTK-RGVLZGJSSA-N -2 0 537.912 4.598 40 10 KJCBRL CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)[N-]C(=S)N(c4cccc(C(=O)[O-])c4)C3=O)c1C)CCCC2 ZINC000100992589 554550354 /nfs/dbraw/zinc/55/03/54/554550354.db2.gz MCBILDNDXFFOAZ-STZFKDTASA-N -2 0 577.684 4.741 40 10 KJCBRL CCc1nnc([N-]S(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(Br)c(C)c4C)c3=O)cc2)s1 ZINC000101123426 554644098 /nfs/dbraw/zinc/64/40/98/554644098.db2.gz UERAIRYTXCZKJR-LDADJPATSA-N -2 0 575.514 4.999 40 10 KJCBRL COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000102133735 554887566 /nfs/dbraw/zinc/88/75/66/554887566.db2.gz ICKFKSTZNUGPKY-NDENLUEZSA-N -2 0 565.376 4.710 40 10 KJCBRL O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Cl ZINC000103793108 555481592 /nfs/dbraw/zinc/48/15/92/555481592.db2.gz BZKVTPHSWSHNDZ-LSHDLFTRSA-N -2 0 534.996 4.938 40 10 KJCBRL Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C(=O)[N-]C1=S ZINC000103843654 571362779 /nfs/dbraw/zinc/36/27/79/571362779.db2.gz ROSSLWOKBRFQNT-DEDYPNTBSA-N -2 0 551.418 4.866 40 10 KJCBRL O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2Cl)cc1 ZINC000103843850 571362769 /nfs/dbraw/zinc/36/27/69/571362769.db2.gz OEYXRSNYUYKAIB-REZTVBANSA-N -2 0 555.326 4.666 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000103843994 571362834 /nfs/dbraw/zinc/36/28/34/571362834.db2.gz AIBBNVRHVISJEO-DJKKODMXSA-N -2 0 609.385 4.520 40 10 KJCBRL O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000103844237 571362901 /nfs/dbraw/zinc/36/29/01/571362901.db2.gz TVYJXPMVEYAYJQ-UDWIEESQSA-N -2 0 537.391 4.558 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103849894 571364347 /nfs/dbraw/zinc/36/43/47/571364347.db2.gz CLDFJPLJHJRPNG-VXLYETTFSA-N -2 0 569.339 4.540 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000103850031 571364249 /nfs/dbraw/zinc/36/42/49/571364249.db2.gz RGEAGUKEGVMPKD-VXLYETTFSA-N -2 0 569.339 4.540 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103850298 571364446 /nfs/dbraw/zinc/36/44/46/571364446.db2.gz PJMPYZFNEIUIOB-RGVLZGJSSA-N -2 0 538.915 4.821 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103850375 571364434 /nfs/dbraw/zinc/36/44/34/571364434.db2.gz ZXKWUIMEEXMJOJ-RGVLZGJSSA-N -2 0 583.366 4.931 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000103850542 571364588 /nfs/dbraw/zinc/36/45/88/571364588.db2.gz DPPYLVQKVWAIRN-RGVLZGJSSA-N -2 0 583.366 4.931 40 10 KJCBRL O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000103850904 571364738 /nfs/dbraw/zinc/36/47/38/571364738.db2.gz IHEOPTVNWUVKMY-UDWIEESQSA-N -2 0 539.313 4.532 40 10 KJCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc2Br)cc1 ZINC000103851559 571365010 /nfs/dbraw/zinc/36/50/10/571365010.db2.gz ILFQLGSOKYIFCS-GZTJUZNOSA-N -2 0 555.381 4.697 40 10 KJCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc2I)cc1 ZINC000103851923 571365098 /nfs/dbraw/zinc/36/50/98/571365098.db2.gz NNFYIZTVHQAVEZ-GZTJUZNOSA-N -2 0 602.381 4.539 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103852046 571365328 /nfs/dbraw/zinc/36/53/28/571365328.db2.gz SSOUNGKEVUWNAD-LICLKQGHSA-N -2 0 540.956 4.596 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103852118 571365344 /nfs/dbraw/zinc/36/53/44/571365344.db2.gz RIIJDYRZRYEUHE-LICLKQGHSA-N -2 0 585.407 4.705 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000103852227 571365507 /nfs/dbraw/zinc/36/55/07/571365507.db2.gz PMDOVKLCFKDKPM-LICLKQGHSA-N -2 0 585.407 4.705 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103852568 571365449 /nfs/dbraw/zinc/36/54/49/571365449.db2.gz HCBQLLALYSOGQQ-WOJGMQOQSA-N -2 0 554.983 4.986 40 10 KJCBRL O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1 ZINC000103853330 571365814 /nfs/dbraw/zinc/36/58/14/571365814.db2.gz NZQRASWQBFDJQW-LDADJPATSA-N -2 0 555.381 4.697 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000103858929 571366921 /nfs/dbraw/zinc/36/69/21/571366921.db2.gz IMCDRAFVNDJAQQ-FYJGNVAPSA-N -2 0 565.376 4.791 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000103858965 571366889 /nfs/dbraw/zinc/36/68/89/571366889.db2.gz SVSUMEDPNQJMJG-VXLYETTFSA-N -2 0 542.773 4.875 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000103858980 571366891 /nfs/dbraw/zinc/36/68/91/571366891.db2.gz GOGLJWKHZILFRE-UDWIEESQSA-N -2 0 522.355 4.530 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000103859011 571366893 /nfs/dbraw/zinc/36/68/93/571366893.db2.gz BBSNYVBBXLVBRN-RGVLZGJSSA-N -2 0 522.355 4.530 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl ZINC000103859031 571366863 /nfs/dbraw/zinc/36/68/63/571366863.db2.gz ZCULLDXNHOWQIC-VCHYOVAHSA-N -2 0 542.773 4.875 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000103859078 571366981 /nfs/dbraw/zinc/36/69/81/571366981.db2.gz LUBKBQHJPXMULF-UDWIEESQSA-N -2 0 522.355 4.530 40 10 KJCBRL O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)o2)c1 ZINC000103859119 571366861 /nfs/dbraw/zinc/36/68/61/571366861.db2.gz SFZAKBVSAKFGQV-MHWRWJLKSA-N -2 0 515.703 4.727 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000103860060 571367411 /nfs/dbraw/zinc/36/74/11/571367411.db2.gz NDBWYNFAPZKATD-DJKKODMXSA-N -2 0 542.773 4.875 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000103860079 571367383 /nfs/dbraw/zinc/36/73/83/571367383.db2.gz SQRANPJBBADBKG-RGVLZGJSSA-N -2 0 522.355 4.530 40 10 KJCBRL O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)o2)c1 ZINC000103860089 571367392 /nfs/dbraw/zinc/36/73/92/571367392.db2.gz OEEVLXGHRNDGAQ-MHWRWJLKSA-N -2 0 515.703 4.727 40 10 KJCBRL O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)o2)c1 ZINC000103860371 571367559 /nfs/dbraw/zinc/36/75/59/571367559.db2.gz GPIRRNNZJNDEEB-MHWRWJLKSA-N -2 0 531.771 4.892 40 10 KJCBRL O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000103860401 571367577 /nfs/dbraw/zinc/36/75/77/571367577.db2.gz AOQRGODPSVLFMH-DEDYPNTBSA-N -2 0 537.391 4.558 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000103866786 571368062 /nfs/dbraw/zinc/36/80/62/571368062.db2.gz FJMAYNGDHLLZND-UDWIEESQSA-N -2 0 567.417 4.566 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000103869970 571368263 /nfs/dbraw/zinc/36/82/63/571368263.db2.gz JGEUCCKBMIBMDC-VCHYOVAHSA-N -2 0 541.343 4.946 40 10 KJCBRL CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)[O-])c(Cl)c4)c3C)C(=O)[N-]C2=S)c1 ZINC000103870316 571368199 /nfs/dbraw/zinc/36/81/99/571368199.db2.gz GQMGQWZIFNHEGG-SRZZPIQSSA-N -2 0 523.998 4.676 40 10 KJCBRL CC(=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000103917282 571369586 /nfs/dbraw/zinc/36/95/86/571369586.db2.gz BQMVCMLHJWMEPY-QNGOZBTKSA-N -2 0 522.612 4.811 40 10 KJCBRL CC(=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000103917342 571369593 /nfs/dbraw/zinc/36/95/93/571369593.db2.gz NNHLFWJBIDRFQF-BKUYFWCQSA-N -2 0 540.030 4.649 40 10 KJCBRL CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000103919108 571369534 /nfs/dbraw/zinc/36/95/34/571369534.db2.gz HQQZAXPWTDSSGR-QJOMJCCJSA-N -2 0 508.579 4.614 40 10 KJCBRL CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000103919128 571369605 /nfs/dbraw/zinc/36/96/05/571369605.db2.gz GWOCRZRMEYYYHC-QJOMJCCJSA-N -2 0 538.586 4.889 40 10 KJCBRL CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1 ZINC000103919175 571369602 /nfs/dbraw/zinc/36/96/02/571369602.db2.gz MQWWHRNVBDRHOZ-KQWNVCNZSA-N -2 0 511.007 4.820 40 10 KJCBRL CCCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1 ZINC000103919180 571369528 /nfs/dbraw/zinc/36/95/28/571369528.db2.gz QTGCZBHKRLEFNH-JLPGSUDCSA-N -2 0 541.033 4.828 40 10 KJCBRL CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1 ZINC000103919183 571369551 /nfs/dbraw/zinc/36/95/51/571369551.db2.gz JHNDOGITOQLVQM-HAHDFKILSA-N -2 0 528.997 4.959 40 10 KJCBRL CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1 ZINC000103919195 571369750 /nfs/dbraw/zinc/36/97/50/571369750.db2.gz ZZBFUMLNCCXMBY-HAHDFKILSA-N -2 0 556.004 4.728 40 10 KJCBRL CC(=Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000103921114 571369692 /nfs/dbraw/zinc/36/96/92/571369692.db2.gz HATMLIFDAHUJLZ-QQTULTPQSA-N -2 0 524.606 4.723 40 10 KJCBRL COc1ccc(-n2[n-]c(-c3ccccc3)c(C(C)=Nc3ccc(S(=O)(=O)[N-]c4nccc(C)n4)cc3)c2=O)cc1 ZINC000103921120 1066371204 /nfs/dbraw/zinc/37/12/04/1066371204.db2.gz DAKZWLGUVRWNEE-QOMWVZHYSA-N -2 0 554.632 4.731 40 10 KJCBRL CC(=Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1 ZINC000103921126 571369741 /nfs/dbraw/zinc/36/97/41/571369741.db2.gz JDVJDYQNAJAXLO-PLRJNAJWSA-N -2 0 542.596 4.862 40 10 KJCBRL CC(=Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1 ZINC000103921142 571369632 /nfs/dbraw/zinc/36/96/32/571369632.db2.gz CILUBUXQGRVVMT-PLRJNAJWSA-N -2 0 569.603 4.631 40 10 KJCBRL CC(=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1 ZINC000103921236 571369696 /nfs/dbraw/zinc/36/96/96/571369696.db2.gz BGTGNCRSLPGNRU-XHPQRKPJSA-N -2 0 554.588 4.928 40 10 KJCBRL CC(=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1 ZINC000103921267 571369740 /nfs/dbraw/zinc/36/97/40/571369740.db2.gz NCCQPVGXEQGQPX-UQQQWYQISA-N -2 0 590.021 4.976 40 10 KJCBRL COc1ccc(-c2[n-]n(-c3ccccc3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1 ZINC000103922560 1066371168 /nfs/dbraw/zinc/37/11/68/1066371168.db2.gz FOEMIMIJNZRDGL-QOMWVZHYSA-N -2 0 554.632 4.731 40 10 KJCBRL COc1ccc(-c2[n-]n(-c3ccc(OC)cc3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1 ZINC000103922564 1066371074 /nfs/dbraw/zinc/37/10/74/1066371074.db2.gz OFYKGFNTJARDKF-OOAXWGSJSA-N -2 0 584.658 4.740 40 10 KJCBRL COc1ccc(-c2[n-]n(-c3ccc(F)cc3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1 ZINC000103922570 1066371104 /nfs/dbraw/zinc/37/11/04/1066371104.db2.gz DMVJERAUHXRVBL-XHPQRKPJSA-N -2 0 572.622 4.871 40 10 KJCBRL COc1ccc(-c2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1 ZINC000103922583 1066371135 /nfs/dbraw/zinc/37/11/35/1066371135.db2.gz JNUMQKMJEMLHQQ-XHPQRKPJSA-N -2 0 599.629 4.640 40 10 KJCBRL COc1ccc(-c2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)nn3)cc2)cc1 ZINC000103922734 571369978 /nfs/dbraw/zinc/36/99/78/571369978.db2.gz QRECQXBFDPMLQK-ONUIUJJFSA-N -2 0 620.047 4.985 40 10 KJCBRL Cc1[n-]n(-c2cc(S(=O)(=O)[O-])ccc2Cl)c(=O)c1N=Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000104045382 571371713 /nfs/dbraw/zinc/37/17/13/571371713.db2.gz GOCOTPIVSWZTKC-RQZHXJHFSA-N -3 0 592.011 4.701 40 10 KJCBRL Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000104212903 571376959 /nfs/dbraw/zinc/37/69/59/571376959.db2.gz ARCFLLTXXLHMHH-IZHYLOQSSA-N -2 0 528.568 4.625 40 10 KJCBRL O=c1c(N=Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c([O-])n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000104240900 571377723 /nfs/dbraw/zinc/37/77/23/571377723.db2.gz RQQJEJACQVDQIX-FLWNBWAVSA-N -2 0 556.629 4.700 40 10 KJCBRL O=c1c(N=Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c([O-])n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000104240907 571377693 /nfs/dbraw/zinc/37/76/93/571377693.db2.gz RQQJEJACQVDQIX-QVIHXGFCSA-N -2 0 556.629 4.700 40 10 KJCBRL O=C1C=C(S(=O)(=O)[O-])C=C2C=C(S(=O)(=O)[O-])C(=NNc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)C(O)=C12 ZINC000104367019 571379690 /nfs/dbraw/zinc/37/96/90/571379690.db2.gz TYVGSUNDGUVWQC-RUFRKCMOSA-N -3 0 608.588 4.822 40 10 KJCBRL O=C1C=C(S(=O)(=O)[O-])C=C2C=C(S(=O)(=O)[O-])C(=NNc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)C(O)=C12 ZINC000104367024 571379647 /nfs/dbraw/zinc/37/96/47/571379647.db2.gz TYVGSUNDGUVWQC-RIIXPHEHSA-N -3 0 608.588 4.822 40 10 KJCBRL O=C1C=C(S(=O)(=O)[O-])C=C2C=C(S(=O)(=O)[O-])C(=NNc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)C(O)=C12 ZINC000104367029 571379611 /nfs/dbraw/zinc/37/96/11/571379611.db2.gz TYVGSUNDGUVWQC-HXEHWPEMSA-N -3 0 608.588 4.822 40 10 KJCBRL O=C(Nc1ccc(S(=O)(=O)[O-])cc1)c1ccc(NN=C2C=C(S(=O)(=O)[O-])c3ccccc3C2=O)cc1 ZINC000104370059 571379609 /nfs/dbraw/zinc/37/96/09/571379609.db2.gz NWOUADTWSVMHTR-QPLCGJKRSA-N -2 0 527.536 4.707 40 10 KJCBRL Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000104389004 571379920 /nfs/dbraw/zinc/37/99/20/571379920.db2.gz JYXGDZFDMPUXTI-OUYNTLDRSA-N -3 0 607.604 4.699 40 10 KJCBRL Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000104389007 571379903 /nfs/dbraw/zinc/37/99/03/571379903.db2.gz JYXGDZFDMPUXTI-DYORGOFNSA-N -3 0 607.604 4.699 40 10 KJCBRL Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C(S(=O)(=O)[O-])=C2 ZINC000104389009 571379878 /nfs/dbraw/zinc/37/98/78/571379878.db2.gz JYXGDZFDMPUXTI-RNDSACKQSA-N -3 0 607.604 4.699 40 10 KJCBRL Nc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1C(=O)C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C=C2 ZINC000104389015 571379923 /nfs/dbraw/zinc/37/99/23/571379923.db2.gz JYMNCHGLWDWNND-OUYNTLDRSA-N -3 0 607.604 4.699 40 10 KJCBRL Nc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1C(=O)C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C=C2 ZINC000104389020 571379868 /nfs/dbraw/zinc/37/98/68/571379868.db2.gz JYMNCHGLWDWNND-DYORGOFNSA-N -3 0 607.604 4.699 40 10 KJCBRL Nc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1C(=O)C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc1)C=C2 ZINC000104389023 571379847 /nfs/dbraw/zinc/37/98/47/571379847.db2.gz JYMNCHGLWDWNND-RNDSACKQSA-N -3 0 607.604 4.699 40 10 KJCBRL Cc1[n-]n(-c2cc(Cl)c(S(=O)(=O)[O-])cc2Cl)c(=O)c1N=Nc1cccc(S(=O)(=O)NCCc2ccccc2)c1 ZINC000111343322 1066197641 /nfs/dbraw/zinc/19/76/41/1066197641.db2.gz CLYJCNKAUUSNMP-IFQZSBTPSA-N -2 0 610.501 4.636 40 10 KJCBRL Cc1[n-]n(-c2cc(Cl)c(S(=O)(=O)[O-])cc2Cl)c(=O)c1N=Nc1cccc(S(=O)(=O)NCCc2ccccc2)c1 ZINC000111343327 1066197759 /nfs/dbraw/zinc/19/77/59/1066197759.db2.gz CLYJCNKAUUSNMP-XHWLHZJSSA-N -2 0 610.501 4.636 40 10 KJCBRL CCCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000112229989 571433984 /nfs/dbraw/zinc/43/39/84/571433984.db2.gz CJXCOUFMHJTNHH-MOHJPFBDSA-N -2 0 523.615 4.990 40 10 KJCBRL Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O ZINC000112246092 571435847 /nfs/dbraw/zinc/43/58/47/571435847.db2.gz XCTUXZPYBWMLPQ-XDHOZWIPSA-N -2 0 582.350 4.543 40 10 KJCBRL Cc1cc(/N=N\c2cc(S(=O)(=O)[O-])c(N)cc2N)ccc1/N=N/c1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000150367619 571465054 /nfs/dbraw/zinc/46/50/54/571465054.db2.gz BUWNKUMEJMTSRK-HKSGSFHQSA-N -3 0 620.647 4.884 40 10 KJCBRL Cc1cc(/N=N/c2cc(S(=O)(=O)[O-])c(N)cc2N)ccc1/N=N\c1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000150367622 571465036 /nfs/dbraw/zinc/46/50/36/571465036.db2.gz BUWNKUMEJMTSRK-URHQZSNASA-N -3 0 620.647 4.884 40 10 KJCBRL Cc1cc(/N=N/c2cc(S(=O)(=O)[O-])c(N)cc2N)ccc1/N=N/c1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1 ZINC000150367626 571465041 /nfs/dbraw/zinc/46/50/41/571465041.db2.gz BUWNKUMEJMTSRK-KPXCSAHWSA-N -3 0 620.647 4.884 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000164384002 571546848 /nfs/dbraw/zinc/54/68/48/571546848.db2.gz CMWIWHVBKUTNSV-RGVLZGJSSA-N -2 0 630.366 4.773 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000164402221 571547326 /nfs/dbraw/zinc/54/73/26/571547326.db2.gz CCGFJODCDYIMTK-LICLKQGHSA-N -2 0 632.407 4.547 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000164407018 571547426 /nfs/dbraw/zinc/54/74/26/571547426.db2.gz FSKICAWQGJSWAM-WOJGMQOQSA-N -2 0 646.434 4.938 40 10 KJCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2I)cc1 ZINC000164454725 571547903 /nfs/dbraw/zinc/54/79/03/571547903.db2.gz QCHIBVLJNFIQSO-YBFXNURJSA-N -2 0 647.219 4.997 40 10 KJCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)cc2I)cc1 ZINC000164477575 571548834 /nfs/dbraw/zinc/54/88/34/571548834.db2.gz COVPRMNBMQULKY-VXLYETTFSA-N -2 0 647.219 4.997 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000208471070 571574450 /nfs/dbraw/zinc/57/44/50/571574450.db2.gz AMWBBSFCGUFOAX-UDWIEESQSA-N -2 0 565.376 4.710 40 10 KJCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)o2)c1 ZINC000215197182 571583704 /nfs/dbraw/zinc/58/37/04/571583704.db2.gz YNCRKKQVMAYFIK-IFRROFPPSA-N -2 0 527.894 4.962 40 10 KJCBRL Cc1ccc(S(=O)(=O)[O-])c(NN=c2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(=NNc4ccc(C)cc4S(=O)(=O)[O-])c(=O)c=3c2=O)c1 ZINC000263616133 572130898 /nfs/dbraw/zinc/13/08/98/572130898.db2.gz HHAYDRCGDCIVTG-NBHCHVEOSA-N -4 0 716.706 4.685 40 10 KJCBRL Cc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)[O-])cc3c2C(=O)C(=NNc2ccccc2C)C(S(=O)(=O)[O-])=C3)cc1 ZINC000299888606 572141688 /nfs/dbraw/zinc/14/16/88/572141688.db2.gz PZLOAIGYSDYCSA-UHFFFAOYSA-N -3 0 591.645 4.872 40 10 KJCBRL O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000408527250 572159811 /nfs/dbraw/zinc/15/98/11/572159811.db2.gz DBJIHWUBNGPJCB-KOEQRZSOSA-N -2 0 603.726 4.991 40 10 KJCBRL Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000408528610 572165031 /nfs/dbraw/zinc/16/50/31/572165031.db2.gz HXVDMJDQBVVNQR-PDGQHHTCSA-N -2 0 532.445 4.733 40 10 KJCBRL Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000408529116 572167271 /nfs/dbraw/zinc/16/72/71/572167271.db2.gz GYZYJKNBVCCBQB-BKUYFWCQSA-N -2 0 511.007 4.575 40 10 KJCBRL Cc1cccc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4C)C3=O)cc2)c1 ZINC000408535020 572187705 /nfs/dbraw/zinc/18/77/05/572187705.db2.gz XDZGOEBZPSVQDC-KGENOOAVSA-N -2 0 583.464 4.754 40 10 KJCBRL O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c3ccccc32)o1 ZINC000408542018 572209708 /nfs/dbraw/zinc/20/97/08/572209708.db2.gz JCLGZSLLIFBDPZ-RQZCQDPDSA-N -2 0 524.316 4.954 40 10 KJCBRL O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)c3ccccc32)o1 ZINC000408542378 572210684 /nfs/dbraw/zinc/21/06/84/572210684.db2.gz IRJNKQSFEHOVJJ-YBFXNURJSA-N -2 0 550.390 4.575 40 10 KJCBRL Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)C(=O)[N-]C1=S ZINC000408542686 572210668 /nfs/dbraw/zinc/21/06/68/572210668.db2.gz NDBFXIVWUFMYME-YBFXNURJSA-N -2 0 564.417 4.883 40 10 KJCBRL Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)C1=O ZINC000408543252 572212247 /nfs/dbraw/zinc/21/22/47/572212247.db2.gz OLJZUJHUCKNSDJ-YBFXNURJSA-N -2 0 548.349 4.718 40 10 KJCBRL O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c3ccccc32)o1 ZINC000408544553 572215834 /nfs/dbraw/zinc/21/58/34/572215834.db2.gz USKYEQAVADXIAY-MHWRWJLKSA-N -2 0 524.316 4.954 40 10 KJCBRL O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)c3ccccc32)o1 ZINC000408544852 572216761 /nfs/dbraw/zinc/21/67/61/572216761.db2.gz XXSLFYNGCRMDII-VXLYETTFSA-N -2 0 550.390 4.575 40 10 KJCBRL O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)c3ccccc32)o1 ZINC000408545294 572218358 /nfs/dbraw/zinc/21/83/58/572218358.db2.gz XMLQEZIZPPXPEZ-RQZCQDPDSA-N -2 0 524.316 4.954 40 10 KJCBRL COc1cc(OC)cc(-c2nc(SC(=Cc3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)C(=O)[O-])n[nH]2)c1 ZINC000408633429 572290060 /nfs/dbraw/zinc/29/00/60/572290060.db2.gz MXQAHJRILCRIKO-UUYOSTAYSA-N -2 0 520.567 4.812 40 10 KJCBRL COc1cc(OC)cc(-c2nc(SC(=Cc3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)C(=O)[O-])n[nH]2)c1 ZINC000408633987 572290880 /nfs/dbraw/zinc/29/08/80/572290880.db2.gz QQYIONTXXHRDJE-UUYOSTAYSA-N -2 0 520.567 4.812 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408693910 1066533831 /nfs/dbraw/zinc/53/38/31/1066533831.db2.gz BCLKMXMUZQWGRG-YBFXNURJSA-N -2 0 557.397 4.529 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408695137 1066531136 /nfs/dbraw/zinc/53/11/36/1066531136.db2.gz QMCBJJMIKMTHFY-YBFXNURJSA-N -2 0 557.397 4.529 40 10 KJCBRL O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(I)c([O-])c(I)c1 ZINC000408722115 1066561551 /nfs/dbraw/zinc/56/15/51/1066561551.db2.gz DZVIJFKULDCLOI-YCRREMRBSA-N -2 0 645.043 4.740 40 10 KJCBRL Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)[N-]C1=S ZINC000408739972 1066576139 /nfs/dbraw/zinc/57/61/39/1066576139.db2.gz CCSWPCNBZFOLEH-GZTJUZNOSA-N -2 0 511.353 4.547 40 10 KJCBRL Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)c([O-])c(I)c2)C(=O)[N-]C1=S ZINC000408740474 1066575830 /nfs/dbraw/zinc/57/58/30/1066575830.db2.gz GGGPWYPVXJWWIB-VZUCSPMQSA-N -2 0 622.076 4.662 40 10 KJCBRL Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)c([O-])c(Br)c2)C(=O)[N-]C1=S ZINC000408740867 1066575556 /nfs/dbraw/zinc/57/55/56/1066575556.db2.gz ISWRIUFUZXRTCW-VZUCSPMQSA-N -2 0 575.076 4.819 40 10 KJCBRL Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(I)c([O-])c(I)c2)C(=O)[N-]C1=S ZINC000408742174 1066574206 /nfs/dbraw/zinc/57/42/06/1066574206.db2.gz PZCULXPJNQVLKJ-VZUCSPMQSA-N -2 0 669.076 4.504 40 10 KJCBRL O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)o2)cc1Cl ZINC000408742807 1066574285 /nfs/dbraw/zinc/57/42/85/1066574285.db2.gz SVLLXOGCVNCEMJ-YBEGLDIGSA-N -2 0 515.703 4.727 40 10 KJCBRL O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1Cl ZINC000408743118 1066573559 /nfs/dbraw/zinc/57/35/59/1066573559.db2.gz ZJQJZCVHSUKMOV-YBEGLDIGSA-N -2 0 515.703 4.727 40 10 KJCBRL O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)o2)cc1Cl ZINC000408743770 1066573591 /nfs/dbraw/zinc/57/35/91/1066573591.db2.gz YBFKFFLQLDUOLO-YBEGLDIGSA-N -2 0 531.771 4.892 40 10 KJCBRL Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)[N-]C1=S ZINC000408744246 1066573787 /nfs/dbraw/zinc/57/37/87/1066573787.db2.gz ZDVMQORKTKOQEC-BOPFTXTBSA-N -2 0 511.353 4.547 40 10 KJCBRL Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Br)c3[O-])C2=O)ccc1Br ZINC000408751688 1066581407 /nfs/dbraw/zinc/58/14/07/1066581407.db2.gz BQISXTLMYJQRLZ-WUXMJOGZSA-N -2 0 514.557 4.545 40 10 KJCBRL Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])c(Br)c3)C2=O)ccc1Br ZINC000408753590 1066579133 /nfs/dbraw/zinc/57/91/33/1066579133.db2.gz NOOBQQNZWZQWEM-VZUCSPMQSA-N -2 0 559.008 4.655 40 10 KJCBRL COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408755695 1066577716 /nfs/dbraw/zinc/57/77/16/1066577716.db2.gz MBHBKGSMOUPOSN-JAIQZWGSSA-N -2 0 567.417 4.566 40 10 KJCBRL Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)ccc1Br ZINC000408756091 1066577336 /nfs/dbraw/zinc/57/73/36/1066577336.db2.gz QUPGADCLMAZCPL-WOJGMQOQSA-N -2 0 509.312 4.691 40 10 KJCBRL COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408756179 1066577279 /nfs/dbraw/zinc/57/72/79/1066577279.db2.gz ODBLUAIWEOMFIL-NDENLUEZSA-N -2 0 581.444 4.875 40 10 KJCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000408756972 1066576856 /nfs/dbraw/zinc/57/68/56/1066576856.db2.gz YRKGVWBNZGTZJL-UDWIEESQSA-N -2 0 522.355 4.530 40 10 KJCBRL COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408757170 1066576940 /nfs/dbraw/zinc/57/69/40/1066576940.db2.gz VFUSHEIDYOWUFP-ZDLGFXPLSA-N -2 0 541.343 4.946 40 10 KJCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000408758867 1066220202 /nfs/dbraw/zinc/22/02/02/1066220202.db2.gz SUZLVLBOMSYESN-UDWIEESQSA-N -2 0 536.382 4.838 40 10 KJCBRL O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)o2)c1 ZINC000408759077 1066584693 /nfs/dbraw/zinc/58/46/93/1066584693.db2.gz XKSNGNNSEBGDGM-MHWRWJLKSA-N -2 0 531.771 4.892 40 10 KJCBRL Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(Br)c3)C2=O)ccc1Br ZINC000408760082 1066584391 /nfs/dbraw/zinc/58/43/91/1066584391.db2.gz RFTFZQDWEQWGCP-VZUCSPMQSA-N -2 0 514.557 4.545 40 10 KJCBRL Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Cl)c3[O-])C2=O)ccc1Br ZINC000408761866 1066589097 /nfs/dbraw/zinc/58/90/97/1066589097.db2.gz HMSXUZACQYHGBV-SDQBBNPISA-N -2 0 514.557 4.545 40 10 KJCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000408761977 1066589134 /nfs/dbraw/zinc/58/91/34/1066589134.db2.gz ILGUJHOEOLLKHR-RGVLZGJSSA-N -2 0 536.382 4.838 40 10 KJCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000408763247 1066588478 /nfs/dbraw/zinc/58/84/78/1066588478.db2.gz OPPUIXXLGAVPRR-UDWIEESQSA-N -2 0 522.355 4.530 40 10 KJCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000408764171 1066587462 /nfs/dbraw/zinc/58/74/62/1066587462.db2.gz QHPSRHPZUPIXPQ-XDHOZWIPSA-N -2 0 522.355 4.530 40 10 KJCBRL Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)ccc1Br ZINC000408764225 1066587367 /nfs/dbraw/zinc/58/73/67/1066587367.db2.gz SLOUPFGYHYIQLD-WOJGMQOQSA-N -2 0 509.312 4.691 40 10 KJCBRL Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4C)o3)C2=O)ccc1Br ZINC000408764368 1066587525 /nfs/dbraw/zinc/58/75/25/1066587525.db2.gz TYYJRGYTLCQEBY-WOJGMQOQSA-N -2 0 509.312 4.691 40 10 KJCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408766175 1066586422 /nfs/dbraw/zinc/58/64/22/1066586422.db2.gz PMKLPNIYOZFUES-UDWIEESQSA-N -2 0 536.382 4.838 40 10 KJCBRL COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408766604 1066586477 /nfs/dbraw/zinc/58/64/77/1066586477.db2.gz VWKWPODRSNANNM-BOPFTXTBSA-N -2 0 541.343 4.946 40 10 KJCBRL O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)cc2)c1 ZINC000408767111 1066585743 /nfs/dbraw/zinc/58/57/43/1066585743.db2.gz IWOXBFBEAKXZIT-LDADJPATSA-N -2 0 511.317 4.937 40 10 KJCBRL Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)c1C ZINC000408768034 1066596799 /nfs/dbraw/zinc/59/67/99/1066596799.db2.gz BIMPLNCTICSPFN-UDWIEESQSA-N -2 0 596.377 4.852 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408768298 1066596876 /nfs/dbraw/zinc/59/68/76/1066596876.db2.gz FAKZKMJYDQLOFL-SRZZPIQSSA-N -2 0 534.952 4.909 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408768919 1066595764 /nfs/dbraw/zinc/59/57/64/1066595764.db2.gz LXYBKIDIOCDMRB-RGVLZGJSSA-N -2 0 565.376 4.710 40 10 KJCBRL Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000408772201 1066229359 /nfs/dbraw/zinc/22/93/59/1066229359.db2.gz CKTUQYWNNSCQNL-UDWIEESQSA-N -2 0 598.418 4.708 40 10 KJCBRL Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000408773161 1066592932 /nfs/dbraw/zinc/59/29/32/1066592932.db2.gz HAYOFMNNWOEHPF-UDWIEESQSA-N -2 0 582.350 4.543 40 10 KJCBRL CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000408773316 1066593013 /nfs/dbraw/zinc/59/30/13/1066593013.db2.gz UVLMDIZEJKIFDI-CIAFOILYSA-N -2 0 612.376 4.634 40 10 KJCBRL Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C(=O)[N-]C1=S ZINC000408773529 1066592619 /nfs/dbraw/zinc/59/26/19/1066592619.db2.gz LTKJDBMMIODBHU-XDHOZWIPSA-N -2 0 598.418 4.708 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408773998 1066592456 /nfs/dbraw/zinc/59/24/56/1066592456.db2.gz NRDOIWYJLZBIAS-RGVLZGJSSA-N -2 0 612.376 4.552 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408774034 1066592495 /nfs/dbraw/zinc/59/24/95/1066592495.db2.gz LHTCKAVMAWECKT-FYJGNVAPSA-N -2 0 520.925 4.682 40 10 KJCBRL Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)c1 ZINC000408774695 1066591992 /nfs/dbraw/zinc/59/19/92/1066591992.db2.gz MWSQZELYXXWBME-CIAFOILYSA-N -2 0 596.377 4.852 40 10 KJCBRL O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)c1 ZINC000408774905 1066592040 /nfs/dbraw/zinc/59/20/40/1066592040.db2.gz YPMJYNJSPYIRGH-YBFXNURJSA-N -2 0 511.317 4.937 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408775680 1066591610 /nfs/dbraw/zinc/59/16/10/1066591610.db2.gz REWWAGLNKBBDNT-VXLYETTFSA-N -2 0 541.343 4.946 40 10 KJCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2I)cc1 ZINC000408776289 1066591160 /nfs/dbraw/zinc/59/11/60/1066591160.db2.gz NCIZFWDHRPKVIF-YBFXNURJSA-N -2 0 602.768 4.888 40 10 KJCBRL CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O ZINC000408776549 1066228810 /nfs/dbraw/zinc/22/88/10/1066228810.db2.gz PJFCWLAWZYJURS-DEDYPNTBSA-N -2 0 596.377 4.797 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408777198 1066590539 /nfs/dbraw/zinc/59/05/39/1066590539.db2.gz WGCXXMLQCBXLTB-RGVLZGJSSA-N -2 0 520.925 4.601 40 10 KJCBRL CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000408777614 1066599771 /nfs/dbraw/zinc/59/97/71/1066599771.db2.gz DFKXBIVTFGJEKM-FYJGNVAPSA-N -2 0 628.444 4.798 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408778852 1066599343 /nfs/dbraw/zinc/59/93/43/1066599343.db2.gz MOGGQGZLYSRIHN-CIAFOILYSA-N -2 0 626.403 4.942 40 10 KJCBRL O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C3=O)cc2)c1 ZINC000408779673 1066599403 /nfs/dbraw/zinc/59/94/03/1066599403.db2.gz HJLIEORBYVIQCE-FYJGNVAPSA-N -2 0 537.391 4.558 40 10 KJCBRL Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C(=O)[N-]C1=S ZINC000408779945 1066598722 /nfs/dbraw/zinc/59/87/22/1066598722.db2.gz OGVXCHJYQSVRJD-FYJGNVAPSA-N -2 0 551.418 4.866 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408780052 1066598893 /nfs/dbraw/zinc/59/88/93/1066598893.db2.gz QZGNJOZZJMYWRG-RGVLZGJSSA-N -2 0 565.376 4.710 40 10 KJCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1C ZINC000408781208 1066232253 /nfs/dbraw/zinc/23/22/53/1066232253.db2.gz AYQVXESSVLIGJE-CIAFOILYSA-N -2 0 596.377 4.852 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408781697 1066597691 /nfs/dbraw/zinc/59/76/91/1066597691.db2.gz FHJFFSCNUDVOIQ-VXLYETTFSA-N -2 0 632.794 4.897 40 10 KJCBRL CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)[N-]C2=S)c1 ZINC000408781855 1066597966 /nfs/dbraw/zinc/59/79/66/1066597966.db2.gz FMTFZSLCCWINSA-CIAFOILYSA-N -2 0 628.444 4.798 40 10 KJCBRL Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C1=O ZINC000408782546 1066603706 /nfs/dbraw/zinc/60/37/06/1066603706.db2.gz IEBGXUXNKSNQNX-FYJGNVAPSA-N -2 0 535.350 4.701 40 10 KJCBRL CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C(=O)[N-]C1=S ZINC000408782807 1066603860 /nfs/dbraw/zinc/60/38/60/1066603860.db2.gz JRVKUBXYEFKQHX-DEDYPNTBSA-N -2 0 612.445 4.962 40 10 KJCBRL O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)cc2)c1 ZINC000408783003 1066231600 /nfs/dbraw/zinc/23/16/00/1066231600.db2.gz JESNYDKFJLILMM-CIAFOILYSA-N -2 0 537.391 4.558 40 10 KJCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000408783621 1066602763 /nfs/dbraw/zinc/60/27/63/1066602763.db2.gz NUOLGWOVYRIHEO-FYJGNVAPSA-N -2 0 535.350 4.701 40 10 KJCBRL CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)[N-]C2=S)cc1 ZINC000408783805 1066231675 /nfs/dbraw/zinc/23/16/75/1066231675.db2.gz RIJVSLJSLSVVHM-FYJGNVAPSA-N -2 0 612.445 4.962 40 10 KJCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000408784135 1066602412 /nfs/dbraw/zinc/60/24/12/1066602412.db2.gz SGRXNKZHVOWYEX-FYJGNVAPSA-N -2 0 612.376 4.634 40 10 KJCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000408784428 1066602280 /nfs/dbraw/zinc/60/22/80/1066602280.db2.gz RBIIUQPQWGYIJY-UDWIEESQSA-N -2 0 582.350 4.543 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408784565 1066602339 /nfs/dbraw/zinc/60/23/39/1066602339.db2.gz UXJHIBMTXWFBKX-CIAFOILYSA-N -2 0 534.952 4.991 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408784927 1066232337 /nfs/dbraw/zinc/23/23/37/1066232337.db2.gz WULPSZHBLJYSGF-SRZZPIQSSA-N -2 0 626.403 4.860 40 10 KJCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2I)cc1 ZINC000408786501 1066232870 /nfs/dbraw/zinc/23/28/70/1066232870.db2.gz RKNVDIUFXFOXRW-VXLYETTFSA-N -2 0 602.768 4.888 40 10 KJCBRL Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)[N-]C2=S)c1 ZINC000408786652 1066600394 /nfs/dbraw/zinc/60/03/94/1066600394.db2.gz LPRQVOSVJHSVNW-UDWIEESQSA-N -2 0 598.418 4.708 40 10 KJCBRL O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc2)c1 ZINC000408788273 1066606152 /nfs/dbraw/zinc/60/61/52/1066606152.db2.gz DKAWBSUDGZEHQC-YBFXNURJSA-N -2 0 511.317 4.937 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408791576 1066604823 /nfs/dbraw/zinc/60/48/23/1066604823.db2.gz YXWZNJIYVUJCOV-OEAKJJBVSA-N -2 0 514.534 4.646 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408811865 1066238525 /nfs/dbraw/zinc/23/85/25/1066238525.db2.gz ASVOIRMDNSAIJJ-VXLYETTFSA-N -2 0 514.390 4.930 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408813920 1066614527 /nfs/dbraw/zinc/61/45/27/1066614527.db2.gz FWOVTSVSDPJTQO-DJKKODMXSA-N -2 0 542.773 4.875 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408817537 1066627126 /nfs/dbraw/zinc/62/71/26/1066627126.db2.gz NLCIHAVJRGBJKQ-DJKKODMXSA-N -2 0 514.390 4.930 40 10 KJCBRL CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)[O-])c(Cl)c4)c3C)C2=O)c1 ZINC000408818677 1066625538 /nfs/dbraw/zinc/62/55/38/1066625538.db2.gz YKQZLOQCESLMRX-SRZZPIQSSA-N -2 0 507.930 4.511 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408825937 1066629487 /nfs/dbraw/zinc/62/94/87/1066629487.db2.gz SCRYCOGASWNYDD-VXLYETTFSA-N -2 0 542.773 4.875 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408843286 1066250227 /nfs/dbraw/zinc/25/02/27/1066250227.db2.gz DCPVMYDMMZDKAU-OEAKJJBVSA-N -2 0 514.534 4.646 40 10 KJCBRL O=C([O-])COc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I ZINC000408844286 1066646190 /nfs/dbraw/zinc/64/61/90/1066646190.db2.gz HSAPXZQLMQAKFC-RUDMXATFSA-N -2 0 656.079 4.655 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408845521 1066248801 /nfs/dbraw/zinc/24/88/01/1066248801.db2.gz KBYHTKCFIUPVNT-SRZZPIQSSA-N -2 0 534.952 4.909 40 10 KJCBRL O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl ZINC000408846263 1066644941 /nfs/dbraw/zinc/64/49/41/1066644941.db2.gz IBSRPAJZOUDKIH-RUDMXATFSA-N -2 0 520.177 4.595 40 10 KJCBRL O=C([O-])COc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000408847136 1066649912 /nfs/dbraw/zinc/64/99/12/1066649912.db2.gz PKVOHNTVEAWBME-RUDMXATFSA-N -2 0 609.079 4.813 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408848464 1066248655 /nfs/dbraw/zinc/24/86/55/1066248655.db2.gz QQLORTIKAKCYTO-RGVLZGJSSA-N -2 0 507.999 4.894 40 10 KJCBRL O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(I)c([O-])c(I)c1 ZINC000408848792 1066250972 /nfs/dbraw/zinc/25/09/72/1066250972.db2.gz SSMCJYBOQZUURR-XBXARRHUSA-N -2 0 645.043 4.740 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000408849099 1066656970 /nfs/dbraw/zinc/65/69/70/1066656970.db2.gz UPJRCYZZDZOIAW-GZTJUZNOSA-N -2 0 514.390 4.930 40 10 KJCBRL O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br ZINC000408849870 1066251156 /nfs/dbraw/zinc/25/11/56/1066251156.db2.gz AAUNYLLPLCXXIF-RUDMXATFSA-N -2 0 564.628 4.704 40 10 KJCBRL O=C([O-])Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc21 ZINC000408850330 1066656117 /nfs/dbraw/zinc/65/61/17/1066656117.db2.gz LNJVWMDSXKJTJF-BRJLIKDPSA-N -2 0 523.589 4.860 40 10 KJCBRL O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c([O-])c(Br)c1 ZINC000408850361 1066656141 /nfs/dbraw/zinc/65/61/41/1066656141.db2.gz MCWGAIVJDWQKPL-XBXARRHUSA-N -2 0 506.592 4.946 40 10 KJCBRL O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408850584 1066250907 /nfs/dbraw/zinc/25/09/07/1066250907.db2.gz OOIHGUUFCJALND-WOJGMQOQSA-N -2 0 511.317 4.937 40 10 KJCBRL Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(Br)c4)C3=O)o2)cc1C(=O)[O-] ZINC000408850664 1066251063 /nfs/dbraw/zinc/25/10/63/1066251063.db2.gz CGUJVANYMDPRNS-WOJGMQOQSA-N -2 0 511.353 4.547 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000408850694 1066655645 /nfs/dbraw/zinc/65/56/45/1066655645.db2.gz COMYAVDTRLCENN-YBFXNURJSA-N -2 0 537.912 4.598 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000408850732 1066655681 /nfs/dbraw/zinc/65/56/81/1066655681.db2.gz DHCZKBXUJDETDN-LFIBNONCSA-N -2 0 514.390 4.930 40 10 KJCBRL O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c([O-])c(I)c1 ZINC000408850959 1066251946 /nfs/dbraw/zinc/25/19/46/1066251946.db2.gz HBARDLMZYYWCEO-XBXARRHUSA-N -2 0 598.043 4.897 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000408851365 1066654857 /nfs/dbraw/zinc/65/48/57/1066654857.db2.gz BZUZDPGONLTIPS-GZTJUZNOSA-N -2 0 514.390 4.930 40 10 KJCBRL C[C@@H](Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1)C(=O)[O-] ZINC000408851765 1066654900 /nfs/dbraw/zinc/65/49/00/1066654900.db2.gz FYZQIZROUWTZLM-QOAJQOCWSA-N -2 0 514.578 4.673 40 10 KJCBRL C[C@H](Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1)C(=O)[O-] ZINC000408851767 1066654846 /nfs/dbraw/zinc/65/48/46/1066654846.db2.gz FYZQIZROUWTZLM-XUSIQRBYSA-N -2 0 514.578 4.673 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408851903 1066250044 /nfs/dbraw/zinc/25/00/44/1066250044.db2.gz BJAXGKMVDHFRLK-SRZZPIQSSA-N -2 0 626.403 4.860 40 10 KJCBRL CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)c1 ZINC000408853164 1066653532 /nfs/dbraw/zinc/65/35/32/1066653532.db2.gz YXBYSOJQJABSDY-LDADJPATSA-N -2 0 524.913 4.762 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408854371 1066653123 /nfs/dbraw/zinc/65/31/23/1066653123.db2.gz DHUHMKBNRKKIIT-SRZZPIQSSA-N -2 0 507.999 4.894 40 10 KJCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)[O-])c(Cl)c4)c3C)C2=O)cc1 ZINC000408857384 1066663931 /nfs/dbraw/zinc/66/39/31/1066663931.db2.gz UQIFDEUMYFHTLG-CIAFOILYSA-N -2 0 507.930 4.511 40 10 KJCBRL O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2I)cc1 ZINC000408857430 1066251850 /nfs/dbraw/zinc/25/18/50/1066251850.db2.gz OBOSYNKLVTUVKC-GIJQJNRQSA-N -2 0 712.209 4.979 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408858351 1066663464 /nfs/dbraw/zinc/66/34/64/1066663464.db2.gz RWEUTETUFMGYAC-DJKKODMXSA-N -2 0 609.385 4.520 40 10 KJCBRL CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)[O-])c(Cl)c4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408858455 1066252596 /nfs/dbraw/zinc/25/25/96/1066252596.db2.gz SFWUCRRGHQGTBA-CIAFOILYSA-N -2 0 523.998 4.676 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000408859491 1066662293 /nfs/dbraw/zinc/66/22/93/1066662293.db2.gz YBDBHZOVAZSENC-GIJQJNRQSA-N -3 0 558.399 4.629 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000408859575 1066662580 /nfs/dbraw/zinc/66/25/80/1066662580.db2.gz VHHKLSZDIXQDOF-RGVLZGJSSA-N -2 0 582.363 4.707 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000408859863 1066662256 /nfs/dbraw/zinc/66/22/56/1066662256.db2.gz ZZXGALILLZCYLK-UDWIEESQSA-N -2 0 581.444 4.875 40 10 KJCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408860129 1066661526 /nfs/dbraw/zinc/66/15/26/1066661526.db2.gz YEWDBKZXFKMMPY-IWBRXTOPSA-N -2 0 522.605 4.703 40 10 KJCBRL Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408860132 1066661454 /nfs/dbraw/zinc/66/14/54/1066661454.db2.gz YEWDBKZXFKMMPY-OZIJZHKYSA-N -2 0 522.605 4.703 40 10 KJCBRL CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cc(C(=O)[O-])ccc4Cl)c3C)C2=O)c1 ZINC000408860142 1066662278 /nfs/dbraw/zinc/66/22/78/1066662278.db2.gz YIWATZKMYJJUQW-UDWIEESQSA-N -2 0 551.983 4.910 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408894250 1066679172 /nfs/dbraw/zinc/67/91/72/1066679172.db2.gz BVFJBVLEMXFVCB-SRZZPIQSSA-N -2 0 626.403 4.860 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408895272 1066678395 /nfs/dbraw/zinc/67/83/95/1066678395.db2.gz DLJHSOJEWCUDME-VXLYETTFSA-N -2 0 632.794 4.897 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408896648 1066677110 /nfs/dbraw/zinc/67/71/10/1066677110.db2.gz GVKITSXJBNXNNZ-RGVLZGJSSA-N -2 0 520.925 4.601 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408898001 1066691676 /nfs/dbraw/zinc/69/16/76/1066691676.db2.gz KHTGVLRUAUSPKK-CIAFOILYSA-N -2 0 626.403 4.942 40 10 KJCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)c(Br)c3)C2=O)cc1 ZINC000408898324 1066263006 /nfs/dbraw/zinc/26/30/06/1066263006.db2.gz LATNBUWSGBYZRF-UDWIEESQSA-N -2 0 535.350 4.701 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408898941 1066262829 /nfs/dbraw/zinc/26/28/29/1066262829.db2.gz NHOGTIHCOMJIGJ-RGVLZGJSSA-N -2 0 612.376 4.552 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408900433 1066688654 /nfs/dbraw/zinc/68/86/54/1066688654.db2.gz SLMHNLAFUCVPLW-SRZZPIQSSA-N -2 0 534.952 4.909 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408900794 1066688202 /nfs/dbraw/zinc/68/82/02/1066688202.db2.gz VCBSMWISXKJRMY-RGVLZGJSSA-N -2 0 565.376 4.710 40 10 KJCBRL Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)c(Cl)c3)C2=O)c1 ZINC000408901615 1066687436 /nfs/dbraw/zinc/68/74/36/1066687436.db2.gz ZDORBEWBBUTFKH-CIAFOILYSA-N -2 0 504.926 4.900 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408901767 1066262069 /nfs/dbraw/zinc/26/20/69/1066262069.db2.gz BXHKQFUOUFJPDK-RGVLZGJSSA-N -2 0 583.366 4.931 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408902001 1066262122 /nfs/dbraw/zinc/26/21/22/1066262122.db2.gz DKSNSRRHHDSQIS-RGVLZGJSSA-N -2 0 538.915 4.821 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408902316 1066686130 /nfs/dbraw/zinc/68/61/30/1066686130.db2.gz HJEMVYZJNNONEH-VXLYETTFSA-N -2 0 569.339 4.540 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408902603 1066685356 /nfs/dbraw/zinc/68/53/56/1066685356.db2.gz KXXMAFVHRQQYKX-VXLYETTFSA-N -2 0 569.339 4.540 40 10 KJCBRL O=C([O-])c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)c3ccccc32)c1 ZINC000408902812 1066264147 /nfs/dbraw/zinc/26/41/47/1066264147.db2.gz LPJHEKWOWXKDIP-LPYMAVHISA-N -2 0 544.361 4.817 40 10 KJCBRL O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408902862 1066684787 /nfs/dbraw/zinc/68/47/87/1066684787.db2.gz MLODXUAVYYQDOK-BUVRLJJBSA-N -2 0 510.477 4.923 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000408903053 1066684753 /nfs/dbraw/zinc/68/47/53/1066684753.db2.gz ONCHUAWLKMYKJY-RGVLZGJSSA-N -2 0 583.366 4.931 40 10 KJCBRL O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2Br)c1 ZINC000408903136 1066684140 /nfs/dbraw/zinc/68/41/40/1066684140.db2.gz PVOYXIFLXNMYHP-YBFXNURJSA-N -2 0 539.313 4.532 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408903638 1066684170 /nfs/dbraw/zinc/68/41/70/1066684170.db2.gz VFRKBVLRIMGAOO-RGVLZGJSSA-N -2 0 630.366 4.773 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408911662 1066266608 /nfs/dbraw/zinc/26/66/08/1066266608.db2.gz BMGCIAVWDNRNAJ-KEBDBYFISA-N -2 0 583.366 4.931 40 10 KJCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)cc2Br)cc1 ZINC000408912702 1066697267 /nfs/dbraw/zinc/69/72/67/1066697267.db2.gz RPVIHIOPQWZPGM-VXLYETTFSA-N -2 0 539.313 4.532 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000408913931 1066696761 /nfs/dbraw/zinc/69/67/61/1066696761.db2.gz WCMDEGTWUHRWJT-KEBDBYFISA-N -2 0 538.915 4.821 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000408915124 1066267993 /nfs/dbraw/zinc/26/79/93/1066267993.db2.gz UZTYYXWIEMHDKA-KEBDBYFISA-N -2 0 583.366 4.931 40 10 KJCBRL O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)cc2Br)c1 ZINC000408915836 1066267928 /nfs/dbraw/zinc/26/79/28/1066267928.db2.gz ZWHZIDBJRXXVFO-VXLYETTFSA-N -2 0 539.313 4.532 40 10 KJCBRL O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408916442 1066694720 /nfs/dbraw/zinc/69/47/20/1066694720.db2.gz CGZNIAGHQBNTEF-NDENLUEZSA-N -2 0 555.381 4.697 40 10 KJCBRL COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408917082 1066693362 /nfs/dbraw/zinc/69/33/62/1066693362.db2.gz MFQSBNJWAJPXSE-GRSHGNNSSA-N -2 0 632.407 4.547 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408934268 1066714400 /nfs/dbraw/zinc/71/44/00/1066714400.db2.gz DMUHQFSVQXOBQJ-RGVLZGJSSA-N -2 0 657.373 4.542 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408934430 1066714564 /nfs/dbraw/zinc/71/45/64/1066714564.db2.gz APEQWXMASGURIV-RGVLZGJSSA-N -2 0 612.376 4.552 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3F)C2=O)cc1 ZINC000408934460 1066276456 /nfs/dbraw/zinc/27/64/56/1066276456.db2.gz AWNRINXFEZHIAN-XDHOZWIPSA-N -2 0 539.313 4.532 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408934699 1066276790 /nfs/dbraw/zinc/27/67/90/1066276790.db2.gz BOLPHHSEBOWKKQ-VXLYETTFSA-N -2 0 541.343 4.946 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408934942 1066713866 /nfs/dbraw/zinc/71/38/66/1066713866.db2.gz BTFOKFXFHQHJEL-RGVLZGJSSA-N -2 0 610.373 4.700 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408935072 1066714071 /nfs/dbraw/zinc/71/40/71/1066714071.db2.gz CGDUTCPMTNQYHN-VXLYETTFSA-N -2 0 541.343 4.946 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000408935116 1066714004 /nfs/dbraw/zinc/71/40/04/1066714004.db2.gz GTSHZOWHRIVDQY-DEDYPNTBSA-N -2 0 520.925 4.682 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000408935168 1066276844 /nfs/dbraw/zinc/27/68/44/1066276844.db2.gz HCLGUDJQUOOOSZ-UDWIEESQSA-N -2 0 612.376 4.634 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3c(OCc4cccc(F)c4)ccc4ccccc43)C2=O)cc1 ZINC000408935255 1066713414 /nfs/dbraw/zinc/71/34/14/1066713414.db2.gz CKOVXTCSWSRMAZ-BUVRLJJBSA-N -2 0 510.477 4.923 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)cc1 ZINC000408935322 1066713452 /nfs/dbraw/zinc/71/34/52/1066713452.db2.gz CSRKCQATDUUGMS-BUVRLJJBSA-N -2 0 537.484 4.692 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000408935603 1066276718 /nfs/dbraw/zinc/27/67/18/1066276718.db2.gz DEDBUMANAYTRDU-VXLYETTFSA-N -2 0 632.794 4.897 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408935636 1066712747 /nfs/dbraw/zinc/71/27/47/1066712747.db2.gz IESCIQUYNXCRHK-CIAFOILYSA-N -2 0 626.403 4.942 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408935663 1066277769 /nfs/dbraw/zinc/27/77/69/1066277769.db2.gz DHCKAQCQFSEIGE-BUVRLJJBSA-N -2 0 522.513 4.792 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccc(F)cc4)ccc4ccccc43)C2=O)cc1 ZINC000408935955 1066712904 /nfs/dbraw/zinc/71/29/04/1066712904.db2.gz FHJJWPDBMXXMQJ-BUVRLJJBSA-N -2 0 510.477 4.923 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000408935957 1066712777 /nfs/dbraw/zinc/71/27/77/1066712777.db2.gz FHSZFLLSIRDSOA-UDWIEESQSA-N -2 0 511.317 4.937 40 10 KJCBRL O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000408935973 1066277510 /nfs/dbraw/zinc/27/75/10/1066277510.db2.gz JEFANZNJRPJKQA-GIJQJNRQSA-N -2 0 528.304 4.853 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1cc(C)cc(C)c1 ZINC000408936023 1066712725 /nfs/dbraw/zinc/71/27/25/1066712725.db2.gz JPOAUSNZCYKQPV-OEAKJJBVSA-N -2 0 514.534 4.646 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408936144 1066277736 /nfs/dbraw/zinc/27/77/36/1066277736.db2.gz FORZMRLJZIHKPQ-SRZZPIQSSA-N -2 0 507.999 4.894 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408936169 1066277552 /nfs/dbraw/zinc/27/75/52/1066277552.db2.gz FRVAPTKHXDCPQA-SRZZPIQSSA-N -2 0 507.999 4.894 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc(F)c1 ZINC000408936471 1066712124 /nfs/dbraw/zinc/71/21/24/1066712124.db2.gz KACXOLSDVNEKOY-RGVLZGJSSA-N -2 0 630.366 4.773 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408936555 1066712299 /nfs/dbraw/zinc/71/22/99/1066712299.db2.gz GMLFYZKXWYPEGQ-RGVLZGJSSA-N -2 0 583.366 4.931 40 10 KJCBRL CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)c(C(=O)[O-])c4)c3C)C2=O)c1 ZINC000408936872 1066278418 /nfs/dbraw/zinc/27/84/18/1066278418.db2.gz GHCJYZXRNOHHHY-SRZZPIQSSA-N -2 0 507.930 4.511 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)C2=O)cc1 ZINC000408937018 1066711619 /nfs/dbraw/zinc/71/16/19/1066711619.db2.gz HMDLUKRCROQNGN-UDWIEESQSA-N -2 0 511.317 4.937 40 10 KJCBRL O=C([O-])c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 ZINC000408937166 1066711446 /nfs/dbraw/zinc/71/14/46/1066711446.db2.gz MQPDATCKPPRROF-RGVLZGJSSA-N -2 0 511.317 4.937 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408937401 1066728094 /nfs/dbraw/zinc/72/80/94/1066728094.db2.gz JDODDSJYBFFGIN-VXLYETTFSA-N -2 0 541.343 4.946 40 10 KJCBRL Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)cc2Cl)c1 ZINC000408937405 1066727997 /nfs/dbraw/zinc/72/79/97/1066727997.db2.gz JFMBSRAYXQYCSK-CIAFOILYSA-N -2 0 504.926 4.900 40 10 KJCBRL CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(C(=O)[O-])c4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408937500 1066280259 /nfs/dbraw/zinc/28/02/59/1066280259.db2.gz GREQQZRKJKCFTG-CIAFOILYSA-N -2 0 523.998 4.676 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 ZINC000408937686 1066728032 /nfs/dbraw/zinc/72/80/32/1066728032.db2.gz JLCGBWSFWCUVFW-RGVLZGJSSA-N -2 0 511.317 4.937 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408937722 1066727643 /nfs/dbraw/zinc/72/76/43/1066727643.db2.gz JPJYDSJVMJNGLJ-RGVLZGJSSA-N -2 0 565.376 4.710 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408938383 1066280904 /nfs/dbraw/zinc/28/09/04/1066280904.db2.gz QGZKIBJSIINHNR-FYJGNVAPSA-N -2 0 520.925 4.682 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3c(OCc4ccccc4F)ccc4ccccc43)C2=O)cc1 ZINC000408938525 1066280741 /nfs/dbraw/zinc/28/07/41/1066280741.db2.gz KTXQYQBOOXTQPV-HZHRSRAPSA-N -2 0 510.477 4.923 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000408939239 1066278938 /nfs/dbraw/zinc/27/89/38/1066278938.db2.gz MANOBTOGWDCQFU-VCHYOVAHSA-N -2 0 541.343 4.946 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408939263 1066726265 /nfs/dbraw/zinc/72/62/65/1066726265.db2.gz MDNNWJQAQKCQTM-YBFXNURJSA-N -2 0 538.915 4.821 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000408939482 1066725679 /nfs/dbraw/zinc/72/56/79/1066725679.db2.gz SSJWBHHHTNKFOI-RGVLZGJSSA-N -2 0 630.366 4.773 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408940001 1066725232 /nfs/dbraw/zinc/72/52/32/1066725232.db2.gz NIEYHOLEXDOOPM-CIAFOILYSA-N -2 0 534.952 4.991 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1 ZINC000408940387 1066725055 /nfs/dbraw/zinc/72/50/55/1066725055.db2.gz NXADGZOEWDDESX-WOJGMQOQSA-N -2 0 511.317 4.937 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408940538 1066724716 /nfs/dbraw/zinc/72/47/16/1066724716.db2.gz ODTMHNKJAVSDPD-UDWIEESQSA-N -2 0 565.376 4.791 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3cccc(F)c3)C2=O)cc1 ZINC000408940678 1066279706 /nfs/dbraw/zinc/27/97/06/1066279706.db2.gz OMSVLKOWXJLZIR-UDWIEESQSA-N -2 0 539.313 4.532 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408940849 1066724624 /nfs/dbraw/zinc/72/46/24/1066724624.db2.gz VIJJWVROKIWXAE-FYJGNVAPSA-N -2 0 565.376 4.791 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1cccc(Cl)c1 ZINC000408940939 1066724641 /nfs/dbraw/zinc/72/46/41/1066724641.db2.gz VRMSYJXIBQHOSL-FYJGNVAPSA-N -2 0 520.925 4.682 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408941323 1066724390 /nfs/dbraw/zinc/72/43/90/1066724390.db2.gz PENBSYIYRDCHHK-SRZZPIQSSA-N -2 0 534.952 4.909 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000408941636 1066723889 /nfs/dbraw/zinc/72/38/89/1066723889.db2.gz XLSHIFPUKNDYQO-QGMBQPNBSA-N -2 0 558.330 4.861 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408941735 1066280805 /nfs/dbraw/zinc/28/08/05/1066280805.db2.gz PODOLSKYDVJKJF-VCHYOVAHSA-N -2 0 569.339 4.540 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 ZINC000408941902 1066723807 /nfs/dbraw/zinc/72/38/07/1066723807.db2.gz QAHGWILCDAWENO-YBFXNURJSA-N -2 0 511.317 4.937 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000408941909 1066723678 /nfs/dbraw/zinc/72/36/78/1066723678.db2.gz QBOKEBMJHHALMC-UDWIEESQSA-N -2 0 539.313 4.532 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3Cl)C2=O)cc1 ZINC000408942367 1066282703 /nfs/dbraw/zinc/28/27/03/1066282703.db2.gz QMCXJNMZUOTAFP-XDHOZWIPSA-N -2 0 511.317 4.937 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1F ZINC000408942564 1066717545 /nfs/dbraw/zinc/71/75/45/1066717545.db2.gz ZIWKKZRBBILDRE-YBFXNURJSA-N -2 0 630.366 4.773 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1 ZINC000408942862 1066722888 /nfs/dbraw/zinc/72/28/88/1066722888.db2.gz RARWOMFSWCLBQR-YBFXNURJSA-N -2 0 511.317 4.937 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408943104 1066283246 /nfs/dbraw/zinc/28/32/46/1066283246.db2.gz ROZKXDDHRNQTBF-RGVLZGJSSA-N -2 0 583.366 4.931 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408943315 1066722332 /nfs/dbraw/zinc/72/23/32/1066722332.db2.gz RQFYEPPYLILULM-YBFXNURJSA-N -2 0 583.366 4.931 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1 ZINC000408943328 1066722259 /nfs/dbraw/zinc/72/22/59/1066722259.db2.gz RUOQFESQKFUMHS-YBFXNURJSA-N -2 0 539.313 4.532 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408943660 1066283199 /nfs/dbraw/zinc/28/31/99/1066283199.db2.gz LSKFMMGGQNMTCT-DJKKODMXSA-N -2 0 514.390 4.930 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1 ZINC000408943938 1066717056 /nfs/dbraw/zinc/71/70/56/1066717056.db2.gz STWFHHXNROUPOT-YBFXNURJSA-N -2 0 539.313 4.532 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Br)c3)C2=O)cc1 ZINC000408943970 1066717066 /nfs/dbraw/zinc/71/70/66/1066717066.db2.gz SWUKUBVPSZJAEX-WOJGMQOQSA-N -2 0 539.313 4.532 40 10 KJCBRL Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)cc2Br)cc1 ZINC000408943979 1066717118 /nfs/dbraw/zinc/71/71/18/1066717118.db2.gz SYGWMXYTKZVGNQ-UDWIEESQSA-N -2 0 535.350 4.701 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 ZINC000408943980 1066717044 /nfs/dbraw/zinc/71/70/44/1066717044.db2.gz SYHBGPRMBMLCHR-VXLYETTFSA-N -2 0 569.339 4.540 40 10 KJCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)c(C(=O)[O-])c4)c3C)C2=O)c(OCC)c1 ZINC000408944566 1066717077 /nfs/dbraw/zinc/71/70/77/1066717077.db2.gz MUWZLWLEIYCJFU-CIAFOILYSA-N -2 0 551.983 4.910 40 10 KJCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)c(C(=O)[O-])c4)c3C)C2=O)cc1 ZINC000408944642 1066281511 /nfs/dbraw/zinc/28/15/11/1066281511.db2.gz NBTPKVBDHBMANW-CIAFOILYSA-N -2 0 507.930 4.511 40 10 KJCBRL Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000408944814 1066281305 /nfs/dbraw/zinc/28/13/05/1066281305.db2.gz VLIJTVQLDJGBOJ-FYJGNVAPSA-N -2 0 535.350 4.701 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000408944970 1066720878 /nfs/dbraw/zinc/72/08/78/1066720878.db2.gz VPHQMKCMAOZHQQ-VXLYETTFSA-N -2 0 569.339 4.540 40 10 KJCBRL CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(C(=O)[O-])c4)c3C)C(=O)[N-]C2=S)c1 ZINC000408945232 1066720281 /nfs/dbraw/zinc/72/02/81/1066720281.db2.gz NGWBEBAWUDBJLW-SRZZPIQSSA-N -2 0 523.998 4.676 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408945584 1066282104 /nfs/dbraw/zinc/28/21/04/1066282104.db2.gz WVDDRINTWJLXSK-UDWIEESQSA-N -2 0 520.925 4.682 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408945601 1066281921 /nfs/dbraw/zinc/28/19/21/1066281921.db2.gz XAEVCISSMCJZNW-VXLYETTFSA-N -2 0 632.794 4.897 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408945865 1066719205 /nfs/dbraw/zinc/71/92/05/1066719205.db2.gz XPLUYXFJBVGWCN-RGVLZGJSSA-N -2 0 565.922 4.591 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408946004 1066719337 /nfs/dbraw/zinc/71/93/37/1066719337.db2.gz XWEFEEYUZREFNJ-VCHYOVAHSA-N -2 0 632.794 4.897 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408946151 1066282632 /nfs/dbraw/zinc/28/26/32/1066282632.db2.gz YFWYHRMJRHLWOJ-YBFXNURJSA-N -2 0 511.317 4.937 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408946177 1066718752 /nfs/dbraw/zinc/71/87/52/1066718752.db2.gz YJQNEXPGNHJVRY-RGVLZGJSSA-N -2 0 538.915 4.821 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 ZINC000408946203 1066201284 /nfs/dbraw/zinc/20/12/84/1066201284.db2.gz YMBKXGYKZLFQQK-SRZZPIQSSA-N -2 0 626.403 4.860 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408946521 1066718072 /nfs/dbraw/zinc/71/80/72/1066718072.db2.gz YUSVBBISRLGKBO-RGVLZGJSSA-N -2 0 520.925 4.601 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408946631 1066718090 /nfs/dbraw/zinc/71/80/90/1066718090.db2.gz YZBAPCXSWRLARE-RGVLZGJSSA-N -2 0 538.915 4.821 40 10 KJCBRL Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)c1 ZINC000408946714 1066284520 /nfs/dbraw/zinc/28/45/20/1066284520.db2.gz ZDOHMDQHMBQHCL-LPYMAVHISA-N -2 0 504.926 4.900 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408946809 1066284207 /nfs/dbraw/zinc/28/42/07/1066284207.db2.gz PZFRPDLIYVMWAW-VXLYETTFSA-N -2 0 514.390 4.930 40 10 KJCBRL O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408947278 1066733802 /nfs/dbraw/zinc/73/38/02/1066733802.db2.gz BSIWNOZDLWWSGC-OEAKJJBVSA-N -2 0 536.496 4.512 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000408947911 1066733327 /nfs/dbraw/zinc/73/33/27/1066733327.db2.gz DNQXSUDQJXLPJM-LSHDLFTRSA-N -2 0 531.565 4.833 40 10 KJCBRL CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1[O-] ZINC000408947913 1066733383 /nfs/dbraw/zinc/73/33/83/1066733383.db2.gz DNWXZLGKXSSDPA-FOKLQQMPSA-N -2 0 531.565 4.833 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000408948412 1066285654 /nfs/dbraw/zinc/28/56/54/1066285654.db2.gz GBUBVDNMRFRSIZ-WYMPLXKRSA-N -2 0 544.604 4.683 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408948752 1066731732 /nfs/dbraw/zinc/73/17/32/1066731732.db2.gz GHLLMMATPNSDRX-DJKKODMXSA-N -2 0 609.385 4.520 40 10 KJCBRL O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2Br)cc1 ZINC000408948874 1066731848 /nfs/dbraw/zinc/73/18/48/1066731848.db2.gz HFGYIUVPQZFZRU-REZTVBANSA-N -2 0 644.228 4.884 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000408953975 1066737581 /nfs/dbraw/zinc/73/75/81/1066737581.db2.gz QSIOQWUAQSNKKK-LSFURLLWSA-N -2 0 565.022 4.946 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408955368 1066287773 /nfs/dbraw/zinc/28/77/73/1066287773.db2.gz YACLRNOFSTWFIR-RGVLZGJSSA-N -2 0 507.999 4.894 40 10 KJCBRL O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I ZINC000408955992 1066735113 /nfs/dbraw/zinc/73/51/13/1066735113.db2.gz VMUKVZQECXWFAH-LSHDLFTRSA-N -2 0 626.447 4.889 40 10 KJCBRL CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)C(=O)[N-]C1=S ZINC000408956222 1066289406 /nfs/dbraw/zinc/28/94/06/1066289406.db2.gz ZEMXRRSYIVZGEN-UDWIEESQSA-N -2 0 507.999 4.839 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408956859 1066734284 /nfs/dbraw/zinc/73/42/84/1066734284.db2.gz YUMMDBYOAKSBCL-LSFURLLWSA-N -2 0 656.473 4.897 40 10 KJCBRL Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000408959836 1066740342 /nfs/dbraw/zinc/74/03/42/1066740342.db2.gz GQOVMDKFRACDIB-DEDYPNTBSA-N -2 0 535.350 4.701 40 10 KJCBRL Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)o1 ZINC000408960150 1066740297 /nfs/dbraw/zinc/74/02/97/1066740297.db2.gz CNGMCRZIKBZWOO-WOJGMQOQSA-N -2 0 511.353 4.547 40 10 KJCBRL O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000408960472 1066290110 /nfs/dbraw/zinc/29/01/10/1066290110.db2.gz LYTOYOWIIORLJC-WOJGMQOQSA-N -2 0 511.317 4.937 40 10 KJCBRL O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000408960659 1066739922 /nfs/dbraw/zinc/73/99/22/1066739922.db2.gz NMUSKMQWEARFTA-SFQUDFHCSA-N -2 0 511.317 4.937 40 10 KJCBRL Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)o1 ZINC000408960738 1066740277 /nfs/dbraw/zinc/74/02/77/1066740277.db2.gz IIUNBVDMRAZDKS-WOJGMQOQSA-N -2 0 509.312 4.691 40 10 KJCBRL Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)o1 ZINC000408962416 1066739848 /nfs/dbraw/zinc/73/98/48/1066739848.db2.gz RQTUVPQVZQCQAJ-WOJGMQOQSA-N -2 0 525.380 4.855 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408964161 1066739312 /nfs/dbraw/zinc/73/93/12/1066739312.db2.gz CBJPRCVJKNFIJH-VCHYOVAHSA-N -2 0 511.962 4.725 40 10 KJCBRL O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1Cl ZINC000408964562 1066290586 /nfs/dbraw/zinc/29/05/86/1066290586.db2.gz DQKTXYYFSNERPA-NTEUORMPSA-N -2 0 505.310 4.922 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000408965547 1066290725 /nfs/dbraw/zinc/29/07/25/1066290725.db2.gz IPRCOEWNEWQIQH-GIJQJNRQSA-N -2 0 511.962 4.725 40 10 KJCBRL O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)c1 ZINC000408967109 1066291316 /nfs/dbraw/zinc/29/13/16/1066291316.db2.gz PVDAWUWRYWQYLH-NTEUORMPSA-N -2 0 505.310 4.922 40 10 KJCBRL O=C([O-])c1cc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000408968233 1066291282 /nfs/dbraw/zinc/29/12/82/1066291282.db2.gz XLSYRHDHSPNXBM-ZROIWOOFSA-N -2 0 505.310 4.922 40 10 KJCBRL CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OCc4ccc(C(=O)[O-])cc4)cc3Br)C2=O)cc1 ZINC000408981540 1066752225 /nfs/dbraw/zinc/75/22/25/1066752225.db2.gz BPXDXVDWQLELJU-MTJSOVHGSA-N -2 0 579.403 4.964 40 10 KJCBRL CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000408981563 1066752076 /nfs/dbraw/zinc/75/20/76/1066752076.db2.gz BRQVQWZIGWJGGZ-MTJSOVHGSA-N -2 0 534.952 4.855 40 10 KJCBRL CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C2=O)cc1 ZINC000408981804 1066752259 /nfs/dbraw/zinc/75/22/59/1066752259.db2.gz CPILKGUIFPISLM-BKUYFWCQSA-N -2 0 596.377 4.797 40 10 KJCBRL COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408982910 1066292895 /nfs/dbraw/zinc/29/28/95/1066292895.db2.gz IVFVRKKIFFPSCQ-JAIQZWGSSA-N -2 0 520.925 4.601 40 10 KJCBRL CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000408982994 1066750832 /nfs/dbraw/zinc/75/08/32/1066750832.db2.gz JKXBOYPDLIAEMY-MTJSOVHGSA-N -2 0 626.403 4.806 40 10 KJCBRL CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408983672 1066750283 /nfs/dbraw/zinc/75/02/83/1066750283.db2.gz NIMCCPDHEOYQAG-MTJSOVHGSA-N -2 0 534.952 4.991 40 10 KJCBRL CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000408983913 1066750296 /nfs/dbraw/zinc/75/02/96/1066750296.db2.gz OGIMFCTZXXMJHN-MTJSOVHGSA-N -2 0 579.403 4.964 40 10 KJCBRL CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408985273 1066748823 /nfs/dbraw/zinc/74/88/23/1066748823.db2.gz WELNYPZCSMQRCK-HAHDFKILSA-N -2 0 514.534 4.591 40 10 KJCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])c(Br)c3)C2=O)cc1Cl ZINC000408987921 1066294748 /nfs/dbraw/zinc/29/47/48/1066294748.db2.gz PPVRJGZACYHADZ-WCIBSUBMSA-N -2 0 514.557 4.545 40 10 KJCBRL O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(F)c4)C3=O)cc2I)cc1 ZINC000408989347 1066759762 /nfs/dbraw/zinc/75/97/62/1066759762.db2.gz HLZAUFYKDMWNBG-QGMBQPNBSA-N -2 0 712.209 4.979 40 10 KJCBRL CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000408990140 1066758636 /nfs/dbraw/zinc/75/86/36/1066758636.db2.gz MUKVZWYMRUNWAR-HMAPJEAMSA-N -2 0 549.377 4.955 40 10 KJCBRL O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2I)cc1 ZINC000409001903 1066765822 /nfs/dbraw/zinc/76/58/22/1066765822.db2.gz XQSAZBIRDFKDIY-REZTVBANSA-N -2 0 738.228 4.568 40 10 KJCBRL O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4F)C3=O)cc2I)cc1 ZINC000409002022 1066765892 /nfs/dbraw/zinc/76/58/92/1066765892.db2.gz RZALCFVFIJGIMV-CXUHLZMHSA-N -2 0 712.209 4.979 40 10 KJCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)o2)c1 ZINC000409007639 1066774978 /nfs/dbraw/zinc/77/49/78/1066774978.db2.gz PZKOHXYZRBRKNR-UHFFFAOYSA-N -2 0 522.469 4.926 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000409011734 1066772734 /nfs/dbraw/zinc/77/27/34/1066772734.db2.gz HKMHVWNDAQDWBH-FPLFNBKTSA-N -2 0 544.604 4.681 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000409011735 1066772860 /nfs/dbraw/zinc/77/28/60/1066772860.db2.gz HKMHVWNDAQDWBH-JJKZGHQPSA-N -2 0 544.604 4.681 40 10 KJCBRL O=C([O-])c1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1 ZINC000409040634 1066808243 /nfs/dbraw/zinc/80/82/43/1066808243.db2.gz HGJKEOVCWGMCFH-WQRHYEAKSA-N -2 0 511.317 4.937 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000409040671 1066308943 /nfs/dbraw/zinc/30/89/43/1066308943.db2.gz HMAACTFZGRJKLD-CIAFOILYSA-N -2 0 595.402 4.557 40 10 KJCBRL O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000409042684 1066311894 /nfs/dbraw/zinc/31/18/94/1066311894.db2.gz OCJNXOAKMYYHQY-YCRREMRBSA-N -2 0 534.975 4.890 40 10 KJCBRL Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c([O-])c(Br)c2)C1=O ZINC000409044818 1066312411 /nfs/dbraw/zinc/31/24/11/1066312411.db2.gz DKTDETWMWHVNSC-NYYWCZLTSA-N -2 0 514.557 4.545 40 10 KJCBRL Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)c([O-])c(Br)c2)C1=O ZINC000409046290 1066800429 /nfs/dbraw/zinc/80/04/29/1066800429.db2.gz JWUVMPVIKNWUKZ-BJMVGYQFSA-N -2 0 514.557 4.545 40 10 KJCBRL O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409063962 1066315972 /nfs/dbraw/zinc/31/59/72/1066315972.db2.gz AYAIGWFVTBPZPJ-DJKKODMXSA-N -2 0 556.314 4.845 40 10 KJCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1 ZINC000409064881 1066828476 /nfs/dbraw/zinc/82/84/76/1066828476.db2.gz IQLOEFFSQJXMPC-YBFXNURJSA-N -2 0 511.317 4.937 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409065092 1066316535 /nfs/dbraw/zinc/31/65/35/1066316535.db2.gz GBOSBXYMYMCWAR-RGVLZGJSSA-N -2 0 610.373 4.700 40 10 KJCBRL COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409065212 1066827966 /nfs/dbraw/zinc/82/79/66/1066827966.db2.gz IDGSBNWNEKLGDT-RGVLZGJSSA-N -2 0 569.353 4.724 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409065246 1066827832 /nfs/dbraw/zinc/82/78/32/1066827832.db2.gz ILEVGFWSIZMSEQ-CIAFOILYSA-N -2 0 623.412 4.578 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409065609 1066827136 /nfs/dbraw/zinc/82/71/36/1066827136.db2.gz HZXCRWIYXAMYGU-XDHOZWIPSA-N -2 0 520.925 4.601 40 10 KJCBRL O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)cc1 ZINC000409065725 1066827184 /nfs/dbraw/zinc/82/71/84/1066827184.db2.gz JFAYTKWOPGSLQH-QGMBQPNBSA-N -2 0 556.314 4.845 40 10 KJCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)cc1 ZINC000409065892 1066827161 /nfs/dbraw/zinc/82/71/61/1066827161.db2.gz KYIWRPOJIQAPII-VXLYETTFSA-N -2 0 511.317 4.937 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409065923 1066316581 /nfs/dbraw/zinc/31/65/81/1066316581.db2.gz LAAQWWSYKROEKN-RGVLZGJSSA-N -2 0 565.922 4.591 40 10 KJCBRL O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409066182 1066826628 /nfs/dbraw/zinc/82/66/28/1066826628.db2.gz KGYZFLNAEZOLSN-RGVLZGJSSA-N -2 0 511.317 4.937 40 10 KJCBRL O=C([O-])COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br ZINC000409066260 1066826693 /nfs/dbraw/zinc/82/66/93/1066826693.db2.gz BFKRGMDNZUANDV-VXLYETTFSA-N -2 0 630.245 4.920 40 10 KJCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000409066284 1066826704 /nfs/dbraw/zinc/82/67/04/1066826704.db2.gz BKOGMVPGVJOFTL-CIAFOILYSA-N -2 0 550.951 4.691 40 10 KJCBRL O=C([O-])COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409066297 1066826646 /nfs/dbraw/zinc/82/66/46/1066826646.db2.gz KYOBEUZRBPEXGA-XCVCLJGOSA-N -2 0 593.011 4.648 40 10 KJCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409067199 1066826010 /nfs/dbraw/zinc/82/60/10/1066826010.db2.gz PPIHLMRNTYCXLS-HYARGMPZSA-N -2 0 520.925 4.682 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409068098 1066844833 /nfs/dbraw/zinc/84/48/33/1066844833.db2.gz FRRAJQRCJFQMNM-LICLKQGHSA-N -2 0 632.794 4.897 40 10 KJCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409068230 1066844774 /nfs/dbraw/zinc/84/47/74/1066844774.db2.gz IACHKOVDPNQFQS-HYARGMPZSA-N -2 0 565.376 4.791 40 10 KJCBRL O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000409068519 1066844856 /nfs/dbraw/zinc/84/48/56/1066844856.db2.gz AYIMRQWWZDSYMR-LDADJPATSA-N -2 0 511.317 4.937 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409068740 1066844179 /nfs/dbraw/zinc/84/41/79/1066844179.db2.gz HSXOYAPHSCTGJZ-CIAFOILYSA-N -2 0 550.951 4.691 40 10 KJCBRL O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409068877 1066843632 /nfs/dbraw/zinc/84/36/32/1066843632.db2.gz JYOAHSIUZDYUCK-UDWIEESQSA-N -2 0 511.317 4.937 40 10 KJCBRL O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000409069361 1066843427 /nfs/dbraw/zinc/84/34/27/1066843427.db2.gz KNUBHVGIJFMWSY-VXLYETTFSA-N -2 0 616.218 4.861 40 10 KJCBRL O=C([O-])c1ccc(COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)cc1 ZINC000409069729 1066842837 /nfs/dbraw/zinc/84/28/37/1066842837.db2.gz VWIRXCMWBLUQGR-ODLFYWEKSA-N -2 0 511.317 4.937 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409070183 1066318561 /nfs/dbraw/zinc/31/85/61/1066318561.db2.gz XWWIDKSHMQIXPF-UDWIEESQSA-N -2 0 612.376 4.634 40 10 KJCBRL O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2Br)cc1 ZINC000409070256 1066842304 /nfs/dbraw/zinc/84/23/04/1066842304.db2.gz YNSPLKJQPBERQU-GIJQJNRQSA-N -2 0 616.218 4.861 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409070437 1066841785 /nfs/dbraw/zinc/84/17/85/1066841785.db2.gz XMCQHWKDPSFTJJ-DJKKODMXSA-N -2 0 632.794 4.897 40 10 KJCBRL O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000409070516 1066841713 /nfs/dbraw/zinc/84/17/13/1066841713.db2.gz YVGKOGAUVTXWAY-VXLYETTFSA-N -2 0 527.316 4.643 40 10 KJCBRL O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000409070547 1066841772 /nfs/dbraw/zinc/84/17/72/1066841772.db2.gz ZAHBOZAPXSBLSO-VXLYETTFSA-N -2 0 541.343 4.702 40 10 KJCBRL COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1 ZINC000409070580 1066841888 /nfs/dbraw/zinc/84/18/88/1066841888.db2.gz CIEJSQCIBVGEPM-VXLYETTFSA-N -2 0 569.353 4.724 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409070852 1066841742 /nfs/dbraw/zinc/84/17/42/1066841742.db2.gz PCPZVXVUSYIXFO-LICLKQGHSA-N -2 0 541.343 4.946 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409071121 1066841276 /nfs/dbraw/zinc/84/12/76/1066841276.db2.gz DQNPZBPBVUDMDW-RGVLZGJSSA-N -2 0 520.925 4.601 40 10 KJCBRL O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)cc1 ZINC000409071249 1066840547 /nfs/dbraw/zinc/84/05/47/1066840547.db2.gz QDDLFZZEBAVOPF-GIJQJNRQSA-N -2 0 527.316 4.643 40 10 KJCBRL COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409071975 1066840164 /nfs/dbraw/zinc/84/01/64/1066840164.db2.gz TWJQVBSFOJFNPW-RGVLZGJSSA-N -2 0 541.343 4.946 40 10 KJCBRL O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409072038 1066839939 /nfs/dbraw/zinc/83/99/39/1066839939.db2.gz AIPWSTUKELYVFQ-VXLYETTFSA-N -2 0 556.314 4.845 40 10 KJCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000409072342 1066840142 /nfs/dbraw/zinc/84/01/42/1066840142.db2.gz NBIJXWRTCMOXKL-CIAFOILYSA-N -2 0 595.402 4.800 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409072416 1066840029 /nfs/dbraw/zinc/84/00/29/1066840029.db2.gz RWGBZROMBTWUFN-CIAFOILYSA-N -2 0 534.952 4.991 40 10 KJCBRL COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1 ZINC000409072723 1066839453 /nfs/dbraw/zinc/83/94/53/1066839453.db2.gz KRFDOUZRRZEERL-VXLYETTFSA-N -2 0 658.255 4.942 40 10 KJCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1 ZINC000409072943 1066839006 /nfs/dbraw/zinc/83/90/06/1066839006.db2.gz WLVCCYOPXOAUCU-FYJGNVAPSA-N -2 0 520.925 4.682 40 10 KJCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)cc1 ZINC000409072965 1066838975 /nfs/dbraw/zinc/83/89/75/1066838975.db2.gz WNLUWAFPZFUVHH-YBFXNURJSA-N -2 0 511.317 4.937 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409073147 1066319131 /nfs/dbraw/zinc/31/91/31/1066319131.db2.gz XQXCRIVFRRHFIE-UDWIEESQSA-N -2 0 565.376 4.791 40 10 KJCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1C ZINC000409073224 1066839029 /nfs/dbraw/zinc/83/90/29/1066839029.db2.gz GBOAUNHTILSQDP-CIAFOILYSA-N -2 0 504.926 4.900 40 10 KJCBRL Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1C ZINC000409073315 1066838996 /nfs/dbraw/zinc/83/89/96/1066838996.db2.gz GVVIGGBHERDDAC-LPYMAVHISA-N -2 0 504.926 4.900 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000409073376 1066838300 /nfs/dbraw/zinc/83/83/00/1066838300.db2.gz YJFGRCJTJREHAL-YBFXNURJSA-N -2 0 507.999 4.894 40 10 KJCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000409073489 1066838432 /nfs/dbraw/zinc/83/84/32/1066838432.db2.gz ZITWQMMMZXXHJZ-CIAFOILYSA-N -2 0 642.402 4.642 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409073758 1066838357 /nfs/dbraw/zinc/83/83/57/1066838357.db2.gz IHSWAWPACCDDJK-KEBDBYFISA-N -2 0 657.373 4.542 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409073965 1066837906 /nfs/dbraw/zinc/83/79/06/1066837906.db2.gz ONRBOQSQGVXDNG-CIAFOILYSA-N -2 0 520.925 4.682 40 10 KJCBRL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)cc2Cl)cc1 ZINC000409074052 1066837785 /nfs/dbraw/zinc/83/77/85/1066837785.db2.gz XOBCCHCSJUACTK-GZTJUZNOSA-N -2 0 511.317 4.937 40 10 KJCBRL COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409074168 1066837896 /nfs/dbraw/zinc/83/78/96/1066837896.db2.gz YKKIMEWWQMYTMF-RGVLZGJSSA-N -2 0 658.255 4.942 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409074475 1066317174 /nfs/dbraw/zinc/31/71/74/1066317174.db2.gz ZUWXXWUNUCWKER-KEBDBYFISA-N -2 0 610.373 4.700 40 10 KJCBRL O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000409074480 1066834013 /nfs/dbraw/zinc/83/40/13/1066834013.db2.gz LYXVQCNNOLBOOT-YBFXNURJSA-N -2 0 511.317 4.937 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409074581 1066837148 /nfs/dbraw/zinc/83/71/48/1066837148.db2.gz NBKZPOHHZCNIBZ-CIAFOILYSA-N -2 0 595.402 4.800 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409074815 1066317363 /nfs/dbraw/zinc/31/73/63/1066317363.db2.gz RYMWSXXRLNHLOD-KEBDBYFISA-N -2 0 565.922 4.591 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409074826 1066837127 /nfs/dbraw/zinc/83/71/27/1066837127.db2.gz SDRSBGHVIVOWSF-DEDYPNTBSA-N -2 0 534.952 4.991 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409075065 1066837377 /nfs/dbraw/zinc/83/73/77/1066837377.db2.gz SWJCYFRVKXWYSY-DJKKODMXSA-N -2 0 541.343 4.946 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409075374 1066836730 /nfs/dbraw/zinc/83/67/30/1066836730.db2.gz XRAPTJZQOBVOTI-UDWIEESQSA-N -2 0 520.925 4.682 40 10 KJCBRL O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)cc1 ZINC000409075379 1066836674 /nfs/dbraw/zinc/83/66/74/1066836674.db2.gz XTUVKBOCWOVRIY-GIJQJNRQSA-N -2 0 556.314 4.845 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409076041 1066835476 /nfs/dbraw/zinc/83/54/76/1066835476.db2.gz WWCNEKNFCVDERU-RGVLZGJSSA-N -2 0 657.373 4.542 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409076168 1066835382 /nfs/dbraw/zinc/83/53/82/1066835382.db2.gz YZJOYQGVPAEXMY-CIAFOILYSA-N -2 0 642.402 4.642 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000409095930 1066858819 /nfs/dbraw/zinc/85/88/19/1066858819.db2.gz DXZKTRDHSSNMBE-XDHOZWIPSA-N -2 0 507.999 4.894 40 10 KJCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1OC ZINC000409135931 1066904054 /nfs/dbraw/zinc/90/40/54/1066904054.db2.gz WPFCLCLUCZRMLV-BUVRLJJBSA-N -2 0 588.613 4.822 40 10 KJCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)o2)c1 ZINC000409143749 1066911752 /nfs/dbraw/zinc/91/17/52/1066911752.db2.gz HISBGTSOPJRHIS-ZVBGSRNCSA-N -2 0 552.630 4.792 40 10 KJCBRL Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)SC2=S)c(Cl)c1 ZINC000409150012 1066925874 /nfs/dbraw/zinc/92/58/74/1066925874.db2.gz YDAIQTRHTUNNES-VXLYETTFSA-N -2 0 542.978 4.851 40 10 KJCBRL Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)o2)C1=O ZINC000409151998 1066924354 /nfs/dbraw/zinc/92/43/54/1066924354.db2.gz IWJGQWXOXGOJHW-RGVLZGJSSA-N -2 0 520.519 4.635 40 10 KJCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)o2)c1 ZINC000409156154 1066920524 /nfs/dbraw/zinc/92/05/24/1066920524.db2.gz SGQLZRVXLPYKQG-VXLYETTFSA-N -2 0 571.361 4.781 40 10 KJCBRL Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)C2=O)cc1C ZINC000409157358 1066935908 /nfs/dbraw/zinc/93/59/08/1066935908.db2.gz QKUSGRRJHYUORD-SRZZPIQSSA-N -2 0 520.519 4.635 40 10 KJCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)o2)c1 ZINC000409157497 1066935581 /nfs/dbraw/zinc/93/55/81/1066935581.db2.gz VVBVZICNXMKZCV-VXLYETTFSA-N -2 0 526.910 4.671 40 10 KJCBRL CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)C2=O)ccc1Cl ZINC000409163863 1066930342 /nfs/dbraw/zinc/93/03/42/1066930342.db2.gz YVUOKPBLVBAALD-SRZZPIQSSA-N -2 0 598.973 4.848 40 10 KJCBRL CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)C2=O)c1 ZINC000409163880 1066930331 /nfs/dbraw/zinc/93/03/31/1066930331.db2.gz ZAJKSMANZFEDRY-RGVLZGJSSA-N -2 0 538.559 4.740 40 10 KJCBRL Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)C2=O)c(C)c1 ZINC000409181712 1066206895 /nfs/dbraw/zinc/20/68/95/1066206895.db2.gz GFMKQPIZXQXYKA-SRZZPIQSSA-N -2 0 520.519 4.635 40 10 KJCBRL CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)C2=O)cc1 ZINC000409182336 1066946740 /nfs/dbraw/zinc/94/67/40/1066946740.db2.gz KRVUZKOQQCLSQI-CIAFOILYSA-N -2 0 520.519 4.580 40 10 KJCBRL Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)C2=O)cc1Cl ZINC000409182903 1066946348 /nfs/dbraw/zinc/94/63/48/1066946348.db2.gz PVMASJBQYRJEDT-KEBDBYFISA-N -2 0 540.937 4.980 40 10 KJCBRL COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409185198 1066945453 /nfs/dbraw/zinc/94/54/53/1066945453.db2.gz UCWQTVGEHDSPOJ-SFQUDFHCSA-N -2 0 541.343 4.946 40 10 KJCBRL COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409186467 1066945436 /nfs/dbraw/zinc/94/54/36/1066945436.db2.gz CJBFNINQGLETRI-WOJGMQOQSA-N -2 0 541.343 4.946 40 10 KJCBRL COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409186823 1066945502 /nfs/dbraw/zinc/94/55/02/1066945502.db2.gz IHXWBWYBEPAHGG-DEDYPNTBSA-N -2 0 565.376 4.710 40 10 KJCBRL COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409186987 1066945525 /nfs/dbraw/zinc/94/55/25/1066945525.db2.gz KNCGGYDMOUHNSE-WOJGMQOQSA-N -2 0 541.343 4.946 40 10 KJCBRL COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187202 1066334320 /nfs/dbraw/zinc/33/43/20/1066334320.db2.gz NIMZTCVGHMEWSY-DEDYPNTBSA-N -2 0 567.417 4.566 40 10 KJCBRL COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187256 1066945542 /nfs/dbraw/zinc/94/55/42/1066945542.db2.gz OCLOHHYRFHNUIL-UDWIEESQSA-N -2 0 567.417 4.566 40 10 KJCBRL COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409188014 1066956450 /nfs/dbraw/zinc/95/64/50/1066956450.db2.gz WIGSJSOMTFOYKN-DEDYPNTBSA-N -2 0 581.444 4.875 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409188629 1066956389 /nfs/dbraw/zinc/95/63/89/1066956389.db2.gz IIBRIBWXAIKDIB-LPYMAVHISA-N -2 0 515.978 4.873 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000409188772 1066956360 /nfs/dbraw/zinc/95/63/60/1066956360.db2.gz AJBUBRBEGUSXDQ-UDWIEESQSA-N -2 0 538.423 4.695 40 10 KJCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c([O-])c(Br)c3)C2=O)cc1OCC ZINC000409189032 1066334945 /nfs/dbraw/zinc/33/49/45/1066334945.db2.gz HMRGCVAJFCYZIB-OVCLIPMQSA-N -2 0 582.245 4.767 40 10 KJCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)c(OCC(=O)[O-])c(Br)c3)C2=O)cc1OCC ZINC000409189659 1066956068 /nfs/dbraw/zinc/95/60/68/1066956068.db2.gz MKDMOPZBZLAJEB-LZYBPNLTSA-N -2 0 640.281 4.525 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000409190288 1066955581 /nfs/dbraw/zinc/95/55/81/1066955581.db2.gz RNBALWVGGIZJMM-VCHYOVAHSA-N -2 0 542.386 4.525 40 10 KJCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000409190423 1066955657 /nfs/dbraw/zinc/95/56/57/1066955657.db2.gz MWPAJLJCTFXZAN-JJIBRWJFSA-N -2 0 558.587 4.813 40 10 KJCBRL CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c2C)cc1 ZINC000409190695 1066955286 /nfs/dbraw/zinc/95/52/86/1066955286.db2.gz PXEMPCAZVCRWBR-LFVJCYFKSA-N -2 0 501.608 4.966 40 10 KJCBRL CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c1C)CCCC2 ZINC000409191310 1066954764 /nfs/dbraw/zinc/95/47/64/1066954764.db2.gz VDJMZPHQQIVUFM-KGENOOAVSA-N -2 0 577.684 4.741 40 10 KJCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCc4ccc(C(=O)[O-])cc4)c3)C2=O)cc1OCC ZINC000409191943 1066953898 /nfs/dbraw/zinc/95/38/98/1066953898.db2.gz QUBOMQGLOPPJSS-XYGWBWBKSA-N -2 0 558.587 4.813 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409192126 1066953846 /nfs/dbraw/zinc/95/38/46/1066953846.db2.gz AQVNFQVKCYDISS-ZVHZXABRSA-N -2 0 583.582 4.719 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C(=O)[N-]C2=S)cc1 ZINC000409192860 1066953460 /nfs/dbraw/zinc/95/34/60/1066953460.db2.gz GETFJSNTWPIGKV-XNTDXEJSSA-N -2 0 531.771 4.892 40 10 KJCBRL C[C@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O)C(=O)[O-] ZINC000409192975 1066953547 /nfs/dbraw/zinc/95/35/47/1066953547.db2.gz HRVHTEIKXCVBFF-BBVGXWNRSA-N -2 0 514.578 4.673 40 10 KJCBRL C[C@@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O)C(=O)[O-] ZINC000409192979 1066953420 /nfs/dbraw/zinc/95/34/20/1066953420.db2.gz HRVHTEIKXCVBFF-NYFSIGSOSA-N -2 0 514.578 4.673 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000409193038 1066953483 /nfs/dbraw/zinc/95/34/83/1066953483.db2.gz HKBQARGKQLGBDH-GZTJUZNOSA-N -2 0 514.390 4.930 40 10 KJCBRL Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)o2)c(Br)c1 ZINC000409193695 1066335337 /nfs/dbraw/zinc/33/53/37/1066335337.db2.gz LJHAXRSTYAJYMJ-BOPFTXTBSA-N -2 0 511.353 4.547 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409194087 1066952648 /nfs/dbraw/zinc/95/26/48/1066952648.db2.gz NOFFEICQTOXAGR-VCHYOVAHSA-N -2 0 514.390 4.930 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409194225 1066952720 /nfs/dbraw/zinc/95/27/20/1066952720.db2.gz PFYBVCKNJPFRGR-VCHYOVAHSA-N -2 0 514.390 4.930 40 10 KJCBRL Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000409194420 1066335278 /nfs/dbraw/zinc/33/52/78/1066335278.db2.gz LEXDHWAJPBPFRG-NDENLUEZSA-N -2 0 585.423 4.537 40 10 KJCBRL O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409195073 1066336092 /nfs/dbraw/zinc/33/60/92/1066336092.db2.gz REQRPXNAKSFUHE-FYJGNVAPSA-N -2 0 515.978 4.873 40 10 KJCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1OCC ZINC000409195587 1066951127 /nfs/dbraw/zinc/95/11/27/1066951127.db2.gz UEKUSJYKVMQCDY-BUVRLJJBSA-N -2 0 588.613 4.822 40 10 KJCBRL Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409195617 1066951081 /nfs/dbraw/zinc/95/10/81/1066951081.db2.gz UJICBDOUBBWRDS-ZDLGFXPLSA-N -2 0 514.390 4.930 40 10 KJCBRL CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)C2=O)cc1OCC ZINC000409196321 1066950644 /nfs/dbraw/zinc/95/06/44/1066950644.db2.gz YYCKJVMHOQTRLK-PCLIKHOPSA-N -2 0 558.587 4.813 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409211670 1066965903 /nfs/dbraw/zinc/96/59/03/1066965903.db2.gz NQZMMHDBWXTVIM-LICLKQGHSA-N -2 0 514.390 4.930 40 10 KJCBRL CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(C(=O)[O-])c3)C2=O)cc1OCC ZINC000409212401 1066965808 /nfs/dbraw/zinc/96/58/08/1066965808.db2.gz LWIDXIOXOSMGHZ-XQNSMLJCSA-N -2 0 544.560 4.818 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409213233 1066965939 /nfs/dbraw/zinc/96/59/39/1066965939.db2.gz RUKXHMRROZFQLR-XDHOZWIPSA-N -2 0 538.423 4.695 40 10 KJCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409214279 1066965436 /nfs/dbraw/zinc/96/54/36/1066965436.db2.gz XEXDYUDMOIDDHC-XDHOZWIPSA-N -2 0 522.355 4.530 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409221256 1066970239 /nfs/dbraw/zinc/97/02/39/1066970239.db2.gz NOIOOXVCBYNDIP-RGVLZGJSSA-N -2 0 513.497 4.642 40 10 KJCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)c(Cl)c4)C3=O)o2)c1 ZINC000409226732 1066967140 /nfs/dbraw/zinc/96/71/40/1066967140.db2.gz SBGWUYNQDLBDKV-DJKKODMXSA-N -2 0 544.900 4.811 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000409227015 1066966602 /nfs/dbraw/zinc/96/66/02/1066966602.db2.gz OGXXXUNUQYJEDP-RGVLZGJSSA-N -2 0 527.524 4.951 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000409231073 1066977871 /nfs/dbraw/zinc/97/78/71/1066977871.db2.gz ICDHSOOCHZIIKP-RGVLZGJSSA-N -2 0 527.524 4.951 40 10 KJCBRL COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1O[C@@H](C)C(=O)[O-] ZINC000409231406 1066977854 /nfs/dbraw/zinc/97/78/54/1066977854.db2.gz DBGMOOUQEVOOBE-JCOWXEQYSA-N -2 0 544.604 4.681 40 10 KJCBRL COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1O[C@H](C)C(=O)[O-] ZINC000409231607 1066977646 /nfs/dbraw/zinc/97/76/46/1066977646.db2.gz DBGMOOUQEVOOBE-XPGKZFKMSA-N -2 0 544.604 4.681 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000409233207 1066977060 /nfs/dbraw/zinc/97/70/60/1066977060.db2.gz DFYWIBQEAFXGBI-RGVLZGJSSA-N -2 0 513.497 4.642 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000409234637 1066976210 /nfs/dbraw/zinc/97/62/10/1066976210.db2.gz OGONGLWNTQQQTC-RGVLZGJSSA-N -2 0 507.999 4.894 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000409235814 1066975559 /nfs/dbraw/zinc/97/55/59/1066975559.db2.gz BXCIEKBZNJWXRO-RGVLZGJSSA-N -2 0 507.999 4.894 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000409236253 1066974932 /nfs/dbraw/zinc/97/49/32/1066974932.db2.gz FRYBDNBBYDRTPP-KEBDBYFISA-N -2 0 507.999 4.894 40 10 KJCBRL Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 ZINC000409237962 1066983991 /nfs/dbraw/zinc/98/39/91/1066983991.db2.gz JPKNSEASLDKWJY-WOJGMQOQSA-N -2 0 500.454 4.803 40 10 KJCBRL Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 ZINC000409238760 1066983421 /nfs/dbraw/zinc/98/34/21/1066983421.db2.gz LAWOSUMALJRSBC-WOJGMQOQSA-N -2 0 500.454 4.803 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000409239312 1066983008 /nfs/dbraw/zinc/98/30/08/1066983008.db2.gz MQFGTVKMNCMGJD-RGVLZGJSSA-N -2 0 507.999 4.894 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000409240360 1066982403 /nfs/dbraw/zinc/98/24/03/1066982403.db2.gz GUPIDYWCZYYRDK-KEBDBYFISA-N -2 0 527.524 4.951 40 10 KJCBRL Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 ZINC000409245621 1066979379 /nfs/dbraw/zinc/97/93/79/1066979379.db2.gz WQIQPTSSTOZOOB-WOJGMQOQSA-N -2 0 500.454 4.803 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000409250282 1066985118 /nfs/dbraw/zinc/98/51/18/1066985118.db2.gz MWVAOHAZNVLQAN-LICLKQGHSA-N -2 0 514.390 4.930 40 10 KJCBRL Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)C2=O)c1 ZINC000409270671 1067006240 /nfs/dbraw/zinc/00/62/40/1067006240.db2.gz IECGLMZQYQEKKV-SRZZPIQSSA-N -2 0 520.519 4.635 40 10 KJCBRL Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)C2=O)c1 ZINC000409271390 1067005092 /nfs/dbraw/zinc/00/50/92/1067005092.db2.gz CFQIGZYJQSZIAT-SRZZPIQSSA-N -2 0 520.519 4.635 40 10 KJCBRL Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)o2)C1=O ZINC000409272777 1066348085 /nfs/dbraw/zinc/34/80/85/1066348085.db2.gz HDAYCYHWYBRJBO-KEBDBYFISA-N -2 0 540.937 4.980 40 10 KJCBRL Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)C2=O)c1C ZINC000409274350 1066348578 /nfs/dbraw/zinc/34/85/78/1066348578.db2.gz WHBQUOSZWDQRJU-SRZZPIQSSA-N -2 0 520.519 4.635 40 10 KJCBRL COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)C2=O)cc1Cl ZINC000409274518 1067012192 /nfs/dbraw/zinc/01/21/92/1067012192.db2.gz OVVJOACXMPWHPT-KEBDBYFISA-N -2 0 556.936 4.680 40 10 KJCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc(Cl)cc4)C3=O)o2)c1 ZINC000409276029 1067010462 /nfs/dbraw/zinc/01/04/62/1067010462.db2.gz XKYUJTAJPGEDOC-KEBDBYFISA-N -2 0 511.895 4.916 40 10 KJCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)o2)c1 ZINC000409327504 1067055937 /nfs/dbraw/zinc/05/59/37/1067055937.db2.gz KGQQHHHEWGQSLT-VXLYETTFSA-N -2 0 618.361 4.623 40 10 KJCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Br)C3=O)o2)c1 ZINC000409339345 1067063173 /nfs/dbraw/zinc/06/31/73/1067063173.db2.gz HQOSHGIEAYZQFD-VXLYETTFSA-N -2 0 571.361 4.781 40 10 KJCBRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)o2)c1 ZINC000409341531 1067061511 /nfs/dbraw/zinc/06/15/11/1067061511.db2.gz BOAKHMBLVMMKFN-VCHYOVAHSA-N -2 0 528.951 4.543 40 10 KJCBRL Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)C2=O)c(C)c1 ZINC000409374438 1067087200 /nfs/dbraw/zinc/08/72/00/1067087200.db2.gz PQISKFBVCVGHIS-SRZZPIQSSA-N -2 0 534.546 4.943 40 10 KJCBRL CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409375796 1067086384 /nfs/dbraw/zinc/08/63/84/1067086384.db2.gz PJOWOFYMOHGKGX-CIAFOILYSA-N -2 0 642.471 4.971 40 10 KJCBRL CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409381394 1067101725 /nfs/dbraw/zinc/10/17/25/1067101725.db2.gz FVCHQAJSUKGVND-HZHRSRAPSA-N -2 0 530.602 4.756 40 10 KJCBRL CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)[O-])ccc4Cl)c3C)C(=O)[N-]C2=S)cc1 ZINC000409382102 1067099338 /nfs/dbraw/zinc/09/93/38/1067099338.db2.gz XYJYUXJVKJWEFC-UDWIEESQSA-N -2 0 507.999 4.839 40 10 KJCBRL CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)[O-])CCCC5)c3C)C(=O)[N-]C2=S)c1 ZINC000409384320 1067097475 /nfs/dbraw/zinc/09/74/75/1067097475.db2.gz AYBCWPHDJKHLKH-FYJGNVAPSA-N -2 0 549.674 4.963 40 10 KJCBRL CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)[O-])CCCC5)c3C)C(=O)[N-]C2=S)cc1 ZINC000409384492 1067096704 /nfs/dbraw/zinc/09/67/04/1067096704.db2.gz CQDQPRBIRNHRES-KGENOOAVSA-N -2 0 549.674 4.963 40 10 KJCBRL CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc(C(=O)[O-])c4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000409384605 1067096680 /nfs/dbraw/zinc/09/66/80/1067096680.db2.gz DHXSQXIWJBBJOH-BUVRLJJBSA-N -2 0 509.587 4.782 40 10 KJCBRL CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C(=O)[O-])CCCC5)c3C)C2=O)c1 ZINC000409384965 1067096271 /nfs/dbraw/zinc/09/62/71/1067096271.db2.gz HMAMJPNZFMADEY-FYJGNVAPSA-N -2 0 533.606 4.798 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409385407 1066364791 /nfs/dbraw/zinc/36/47/91/1066364791.db2.gz LBDPEKPYDIIMKH-NTEUORMPSA-N -2 0 531.304 4.539 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409385460 1067095885 /nfs/dbraw/zinc/09/58/85/1067095885.db2.gz MCEZFQDNPKENGN-OVCLIPMQSA-N -2 0 531.304 4.539 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409385870 1066365945 /nfs/dbraw/zinc/36/59/45/1066365945.db2.gz NUJHMZNIZZHOQD-NTEUORMPSA-N -2 0 547.372 4.704 40 10 KJCBRL CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C(=O)[O-])CCCC5)c3C)C2=O)cc1 ZINC000409386051 1067095170 /nfs/dbraw/zinc/09/51/70/1067095170.db2.gz NNUIBORRNSFSTL-KGENOOAVSA-N -2 0 533.606 4.798 40 10 KJCBRL COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)[O-])CCCC5)c3C)C(=O)[N-]C2=S)cc1 ZINC000409386460 1067094469 /nfs/dbraw/zinc/09/44/69/1067094469.db2.gz QEAVWJVSDNULAP-DEDYPNTBSA-N -2 0 535.647 4.573 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386621 1067094498 /nfs/dbraw/zinc/09/44/98/1067094498.db2.gz QSKYGZYVQHZBPU-SFQUDFHCSA-N -2 0 523.611 4.703 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409386627 1067094709 /nfs/dbraw/zinc/09/47/09/1067094709.db2.gz VYICRJUBTOPKBS-OVCLIPMQSA-N -2 0 547.372 4.704 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386633 1067094757 /nfs/dbraw/zinc/09/47/57/1067094757.db2.gz QUTZUMWWBKUKAV-SFQUDFHCSA-N -2 0 507.543 4.538 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386641 1067094423 /nfs/dbraw/zinc/09/44/23/1067094423.db2.gz QWEZZDDRWGJPPB-DEDYPNTBSA-N -2 0 519.648 4.872 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386696 1066365970 /nfs/dbraw/zinc/36/59/70/1066365970.db2.gz RJTARZONUHPTEX-DEDYPNTBSA-N -2 0 519.648 4.872 40 10 KJCBRL COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409386731 1067094397 /nfs/dbraw/zinc/09/43/97/1067094397.db2.gz XCYZCBHEGLACRN-OVCLIPMQSA-N -2 0 531.304 4.539 40 10 KJCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386777 1067094594 /nfs/dbraw/zinc/09/45/94/1067094594.db2.gz RWMNMHGCBXEUPP-CPNJWEJPSA-N -2 0 503.580 4.707 40 10 KJCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387053 1067093962 /nfs/dbraw/zinc/09/39/62/1067093962.db2.gz SSRQTRJASCVINI-DEDYPNTBSA-N -2 0 503.580 4.707 40 10 KJCBRL Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387062 1067093886 /nfs/dbraw/zinc/09/38/86/1067093886.db2.gz STUBOGILHZEGNA-DEDYPNTBSA-N -2 0 503.580 4.707 40 10 KJCBRL CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C(=O)[O-])CCCC5)c3C)C2=O)cc1 ZINC000409387211 1067093470 /nfs/dbraw/zinc/09/34/70/1067093470.db2.gz UUZQGTXXVVSRMJ-KGENOOAVSA-N -2 0 517.607 4.961 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387286 1067093332 /nfs/dbraw/zinc/09/33/32/1067093332.db2.gz VMFZMEXSMLSCMN-CPNJWEJPSA-N -2 0 519.648 4.872 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387377 1067112019 /nfs/dbraw/zinc/11/20/19/1067112019.db2.gz WDHGZXFQPOOBGH-YBFXNURJSA-N -2 0 507.543 4.538 40 10 KJCBRL CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)C1=O ZINC000409387934 1067110802 /nfs/dbraw/zinc/11/08/02/1067110802.db2.gz YSPXETDSMHMNQZ-XSFVSMFZSA-N -2 0 517.607 4.961 40 10 KJCBRL Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387950 1066366635 /nfs/dbraw/zinc/36/66/35/1066366635.db2.gz ZAGYUSHKUQDTIR-CPNJWEJPSA-N -2 0 505.621 4.564 40 10 KJCBRL CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4cccc(C(=O)[O-])c4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000409389299 1067107882 /nfs/dbraw/zinc/10/78/82/1067107882.db2.gz XVEGCZCPIJKONG-CIAFOILYSA-N -2 0 642.471 4.971 40 10 KJCBRL O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000409398472 1067117615 /nfs/dbraw/zinc/11/76/15/1067117615.db2.gz BCBMLDJXKHUZAA-ZDLGFXPLSA-N -2 0 527.758 4.841 40 10 KJCBRL O=C([O-])c1cccc(COc2c(Cl)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2Br)c1 ZINC000409399049 1067116195 /nfs/dbraw/zinc/11/61/95/1067116195.db2.gz FNAIJOSQESUEKS-ZDLGFXPLSA-N -2 0 527.758 4.841 40 10 KJCBRL O=C([O-])c1ccc(COc2c(Br)cc(Cl)cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000409399111 1067116227 /nfs/dbraw/zinc/11/62/27/1067116227.db2.gz FYAZOKXGDOTECP-ODLFYWEKSA-N -2 0 527.758 4.841 40 10 KJCBRL O=C([O-])c1cccc(COc2c(Br)cc(Cl)cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000409399519 1067115064 /nfs/dbraw/zinc/11/50/64/1067115064.db2.gz JGLKCDSHJTYICJ-ODLFYWEKSA-N -2 0 527.758 4.841 40 10 KJCBRL O=C([O-])c1cccc(COc2c(Br)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2Br)c1 ZINC000409399653 1067114905 /nfs/dbraw/zinc/11/49/05/1067114905.db2.gz LJOLTXMEGFYPGT-ZDLGFXPLSA-N -2 0 572.209 4.950 40 10 KJCBRL COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409399790 1066207945 /nfs/dbraw/zinc/20/79/45/1066207945.db2.gz MJPULXYRNSCJBX-WQRHYEAKSA-N -2 0 557.784 4.850 40 10 KJCBRL O=C([O-])c1cccc(COc2c(I)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2I)c1 ZINC000409399830 1067113889 /nfs/dbraw/zinc/11/38/89/1067113889.db2.gz NIJSXQSPCQYLNK-ZDLGFXPLSA-N -2 0 666.209 4.634 40 10 KJCBRL COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409400527 1067112649 /nfs/dbraw/zinc/11/26/49/1067112649.db2.gz SLQZFKFXZNVRLC-WQRHYEAKSA-N -2 0 602.235 4.959 40 10 KJCBRL O=C([O-])c1ccc(COc2c(Br)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000409400835 1067127412 /nfs/dbraw/zinc/12/74/12/1067127412.db2.gz UONQBTGYEWFYHC-ZDLGFXPLSA-N -2 0 572.209 4.950 40 10 KJCBRL COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409400955 1067127485 /nfs/dbraw/zinc/12/74/85/1067127485.db2.gz WKPPUZNYXHQZRZ-WQRHYEAKSA-N -2 0 557.784 4.850 40 10 KJCBRL COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409401537 1067126863 /nfs/dbraw/zinc/12/68/63/1067126863.db2.gz YZQXCYMILDTRSA-WQRHYEAKSA-N -2 0 602.235 4.959 40 10 KJCBRL CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409403725 1067123532 /nfs/dbraw/zinc/12/35/32/1067123532.db2.gz AVSIVJIVKILTPB-NDENLUEZSA-N -2 0 537.366 4.586 40 10 KJCBRL CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000409406645 1067120021 /nfs/dbraw/zinc/12/00/21/1067120021.db2.gz KPFAINZAPULLFL-NDENLUEZSA-N -2 0 537.366 4.586 40 10 KJCBRL CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409407569 1067137177 /nfs/dbraw/zinc/13/71/77/1067137177.db2.gz MRDQYSDXGBHKCC-NDENLUEZSA-N -2 0 537.366 4.586 40 10 KJCBRL CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000409408424 1067136069 /nfs/dbraw/zinc/13/60/69/1067136069.db2.gz QMSDSYBKTLKMPG-NDENLUEZSA-N -2 0 537.366 4.586 40 10 KJCBRL