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)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(N)=O ZINC000409222381 557017448 /nfs/dbraw/zinc/01/74/48/557017448.db2.gz CNYQYKBMRVFPSW-VGOFMYFVSA-N 0 2 443.843 2.188 40 10 IECBLN Cc1coc(NS(=O)(=O)c2ccc(/N=N/c3c(N)n(C)c(=O)n(C)c3=O)cc2)c1C ZINC000104090732 557320020 /nfs/dbraw/zinc/32/00/20/557320020.db2.gz UJEUKOLHGLHCGX-QZQOTICOSA-N 0 2 432.462 2.092 40 10 IECBLN CCOC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033467167 569259303 /nfs/dbraw/zinc/25/93/03/569259303.db2.gz ZISHUBRTTNAQCQ-IGWPVBGESA-N 0 2 425.397 2.387 40 10 IECBLN O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNn1cnnc1 ZINC000408534930 555741985 /nfs/dbraw/zinc/74/19/85/555741985.db2.gz RUHGXBBLKJCQSZ-YBFXNURJSA-N 0 2 432.484 2.456 40 10 IECBLN Cn1c2ccc(NC=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2n(C)c1=O ZINC000408533779 555747897 /nfs/dbraw/zinc/74/78/97/555747897.db2.gz PCOPPUJGIBUBLI-UVTDQMKNSA-N 0 2 425.832 2.109 40 10 IECBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OC ZINC000408940857 556896631 /nfs/dbraw/zinc/89/66/31/556896631.db2.gz VJCWAWHFNUQGFN-RIYZIHGNSA-N 0 2 427.369 2.287 40 10 IECBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)c1 ZINC000408534069 555749402 /nfs/dbraw/zinc/74/94/02/555749402.db2.gz URYMRUQIQPGEMI-SFQUDFHCSA-N 0 2 442.497 2.133 40 10 IECBLN CCn1c2ccc(NC=C3C(=O)NC(=O)N(c4ccccc4OC)C3=O)cc2n(CC)c1=O ZINC000408534176 555750251 /nfs/dbraw/zinc/75/02/51/555750251.db2.gz VDCOTUYECNXLHR-FYWRMAATSA-N 0 2 449.467 2.430 40 10 IECBLN COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000408948786 556898726 /nfs/dbraw/zinc/89/87/26/556898726.db2.gz GSBSWHWKUHGCOL-LFYBBSHMSA-N 0 2 441.352 2.007 40 10 IECBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCC(N)=O)C2=O)cc1C ZINC000409227794 557014740 /nfs/dbraw/zinc/01/47/40/557014740.db2.gz WXPDJYDREBCMNF-CXUHLZMHSA-N 0 2 427.844 2.487 40 10 IECBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(N)=O ZINC000409228021 557015000 /nfs/dbraw/zinc/01/50/00/557015000.db2.gz ZHVKRKZEIJOZTC-AWNIVKPZSA-N 0 2 447.806 2.018 40 10 IECBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1I ZINC000409390416 557095285 /nfs/dbraw/zinc/09/52/85/557095285.db2.gz FGWMJWRQVIUPRN-XYOKQWHBSA-N 0 2 449.204 2.361 40 10 IECBLN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc([N+](=O)[O-])ccc1O ZINC000261363642 569315771 /nfs/dbraw/zinc/31/57/71/569315771.db2.gz UZQTVUWDOIHZQZ-GOSISDBHSA-O 0 2 426.434 2.386 40 10 IECBLN CN(C)S(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000009010257 132300666 /nfs/dbraw/zinc/30/06/66/132300666.db2.gz DDIOWNIQZADACR-WJDWOHSUSA-N 0 2 448.888 2.169 40 10 IECBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(N2CCOCC2)c(F)c1 ZINC000009260255 132311597 /nfs/dbraw/zinc/31/15/97/132311597.db2.gz IQDGZGADCBUOCU-DHDCSXOGSA-N 0 2 439.399 2.057 40 10 IECBLN O=c1[nH]c2cc(NC=C3C(=O)NC(=O)N(c4ccccc4Cl)C3=O)c([N+](=O)[O-])cc2[nH]1 ZINC000408530767 555726305 /nfs/dbraw/zinc/72/63/05/555726305.db2.gz JODQPJYRVLPFTH-BQYQJAHWSA-N 0 2 442.775 2.409 40 10 IECBLN CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408956605 556900184 /nfs/dbraw/zinc/90/01/84/556900184.db2.gz XUZHSSVYJVHGMQ-CXUHLZMHSA-N 0 2 438.392 2.024 40 10 IECBLN COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(OC)c1 ZINC000408956022 556900335 /nfs/dbraw/zinc/90/03/35/556900335.db2.gz VRIDDNBTUNBXFI-NTEUORMPSA-N 0 2 426.381 2.108 40 10 IECBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(N)=O ZINC000408963193 556901786 /nfs/dbraw/zinc/90/17/86/556901786.db2.gz XTSHJQHTHLBKCV-LICLKQGHSA-N 0 2 437.452 2.233 40 10 IECBLN CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccc(OC)cc3OC)C1=O)OCO2 ZINC000409102163 556956261 /nfs/dbraw/zinc/95/62/61/556956261.db2.gz CVOJXVBHAOBIPN-AUWJEWJLSA-N 0 2 440.408 2.498 40 10 IECBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(N)=O)c(Cl)c3)C2=O)cc1 ZINC000409225136 557013762 /nfs/dbraw/zinc/01/37/62/557013762.db2.gz OULXCGMADRJYMI-OQLLNIDSSA-N 0 2 443.843 2.269 40 10 IECBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(N)=O)c(Cl)c3)C2=O)cc1C ZINC000409227909 557014673 /nfs/dbraw/zinc/01/46/73/557014673.db2.gz XFHJWSOELWTZLW-OVCLIPMQSA-N 0 2 427.844 2.487 40 10 IECBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(N)=O ZINC000409224081 557017944 /nfs/dbraw/zinc/01/79/44/557017944.db2.gz KFGLMVCIZOTBDF-LICLKQGHSA-N 0 2 437.452 2.233 40 10 IECBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(N)=O ZINC000409224387 557018019 /nfs/dbraw/zinc/01/80/19/557018019.db2.gz JTRYXALNPVUPMH-VGOFMYFVSA-N 0 2 443.843 2.188 40 10 IECBLN O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(O)c(I)c1 ZINC000409241172 557031608 /nfs/dbraw/zinc/03/16/08/557031608.db2.gz RVAWFLJSEPXYKK-IZZDOVSWSA-N 0 2 435.177 2.058 40 10 IECBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)N4CCOCC4)cc3)C2=O)cc1C ZINC000408533316 555746309 /nfs/dbraw/zinc/74/63/09/555746309.db2.gz OKTMIVLSMYPRII-XSFVSMFZSA-N 0 2 448.479 2.355 40 10 IECBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000408903038 556885576 /nfs/dbraw/zinc/88/55/76/556885576.db2.gz OFMNQTAQLNULKT-LFIBNONCSA-N 0 2 440.387 2.237 40 10 IECBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(N)=O ZINC000409220439 557016172 /nfs/dbraw/zinc/01/61/72/557016172.db2.gz ZNSPQXKOGOGPAI-RIYZIHGNSA-N 0 2 443.843 2.269 40 10 IECBLN COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O ZINC000409230390 557022354 /nfs/dbraw/zinc/02/23/54/557022354.db2.gz CSDCDKMUCULHDJ-WOJGMQOQSA-N 0 2 425.416 2.337 40 10 IECBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1I ZINC000409246518 557028156 /nfs/dbraw/zinc/02/81/56/557028156.db2.gz CEZHUUSBQCXINS-KPKJPENVSA-N 0 2 449.204 2.361 40 10 IECBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(O)c(I)c1 ZINC000409391822 557096443 /nfs/dbraw/zinc/09/64/43/557096443.db2.gz JXDOTODDPYBQFO-YRNVUSSQSA-N 0 2 435.177 2.058 40 10 IECBLN O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2O)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000170620752 557217284 /nfs/dbraw/zinc/21/72/84/557217284.db2.gz KINCSDVYYXRSBG-KEYYUXOJSA-N 0 2 425.319 2.404 40 10 IECBLN COC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000108120024 569260764 /nfs/dbraw/zinc/26/07/64/569260764.db2.gz OJZLDNLDQZEJMD-ZSOIEALJSA-N 0 2 431.788 2.261 40 10 IECBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNC[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 ZINC000408534463 555751420 /nfs/dbraw/zinc/75/14/20/555751420.db2.gz QXIBUVGMXIWBBU-WAFWZSCLSA-N 0 2 438.440 2.310 40 10 IECBLN NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4cccc(F)c4)C3=O)o2)cc1 ZINC000032099650 556528767 /nfs/dbraw/zinc/52/87/67/556528767.db2.gz AUPWAITXUHQWTP-BOPFTXTBSA-N 0 2 427.413 2.195 40 10 IECBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)OC ZINC000408912493 556886376 /nfs/dbraw/zinc/88/63/76/556886376.db2.gz HEXMTIGCZMRYTO-CXUHLZMHSA-N 0 2 442.399 2.443 40 10 IECBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(N)=O ZINC000409226847 557014343 /nfs/dbraw/zinc/01/43/43/557014343.db2.gz XIKCTRHSCAFWAB-MDWZMJQESA-N 0 2 443.843 2.188 40 10 IECBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3OC)C2=O)cc1 ZINC000409221379 557016769 /nfs/dbraw/zinc/01/67/69/557016769.db2.gz PMOPJYAWLLMVTE-CPNJWEJPSA-N 0 2 437.452 2.207 40 10 IECBLN Cc1coc(NS(=O)(=O)c2ccc(/N=N\c3c(N)n(C)c(=O)n(C)c3=O)cc2)c1C ZINC000104090727 557320105 /nfs/dbraw/zinc/32/01/05/557320105.db2.gz UJEUKOLHGLHCGX-MRCUWXFGSA-N 0 2 432.462 2.092 40 10 IECBLN CC(C)OC(=O)COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033675945 569259682 /nfs/dbraw/zinc/25/96/82/569259682.db2.gz UQIFQSQYRWAMGN-BOPFTXTBSA-N 0 2 425.397 2.387 40 10 IECBLN CCn1c2ccc(NC=C3C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)cc2n(CC)c1=O ZINC000408528179 555725159 /nfs/dbraw/zinc/72/51/59/555725159.db2.gz FKPMTXRBIPPVJB-LGMDPLHJSA-N 0 2 449.467 2.430 40 10 IECBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OC ZINC000408953897 556898810 /nfs/dbraw/zinc/89/88/10/556898810.db2.gz QJUAFFGDUQGIRM-AWNIVKPZSA-N 0 2 426.381 2.108 40 10 IECBLN CCOC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033467164 569259250 /nfs/dbraw/zinc/25/92/50/569259250.db2.gz ZISHUBRTTNAQCQ-KAECEXQPSA-N 0 2 425.397 2.387 40 10 IECBLN CCOC(=O)COc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000107771174 569260570 /nfs/dbraw/zinc/26/05/70/569260570.db2.gz UYGYBBWLOABUAD-DHDCSXOGSA-N 0 2 441.396 2.007 40 10 IECBLN O=c1[nH]c2cc(NC=C3C(=O)NC(=O)N(c4ccccc4)C3=O)c(N3CCCC3)cc2[nH]1 ZINC000408535373 555762837 /nfs/dbraw/zinc/76/28/37/555762837.db2.gz SLVGLLPEYBJIPF-WYMLVPIESA-N 0 2 432.440 2.448 40 10 IECBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])c(OC)cc3OC)C2=O)cc1 ZINC000408741919 556215268 /nfs/dbraw/zinc/21/52/68/556215268.db2.gz SOQKUXKXKQBWAJ-ZSOIEALJSA-N 0 2 427.369 2.287 40 10 IECBLN O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2O)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000019863654 556934254 /nfs/dbraw/zinc/93/42/54/556934254.db2.gz KINCSDVYYXRSBG-GRDNDAEWSA-N 0 2 425.319 2.404 40 10 IECBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3OC)OCO4)C2=O)c(OC)c1 ZINC000409094343 556950079 /nfs/dbraw/zinc/95/00/79/556950079.db2.gz DMNVMHANEYDLBQ-MLPAPPSSSA-N 0 2 426.381 2.108 40 10 IECBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNC[C@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 ZINC000408534458 555751514 /nfs/dbraw/zinc/75/15/14/555751514.db2.gz QXIBUVGMXIWBBU-LTXFRBGYSA-N 0 2 438.440 2.310 40 10 IECBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000408902028 556883054 /nfs/dbraw/zinc/88/30/54/556883054.db2.gz DTRQKMXVEBLNHQ-ATVHPVEESA-N 0 2 440.387 2.237 40 10 IECBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)c(OC)c1 ZINC000409096783 556953184 /nfs/dbraw/zinc/95/31/84/556953184.db2.gz GPEVLSNSFFSFRC-QGOAFFKASA-N 0 2 437.452 2.207 40 10 IECBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(N)=O)c4ccccc34)C2=O)cc1 ZINC000107952399 569251803 /nfs/dbraw/zinc/25/18/03/569251803.db2.gz MIMMSWCMXJEEHJ-WOJGMQOQSA-N 0 2 432.436 2.192 40 10 IECBLN COc1cc([N+](=O)[O-])ccc1NNC=C1C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408529311 555722987 /nfs/dbraw/zinc/72/29/87/555722987.db2.gz JCSANYANYYBGHO-XNTDXEJSSA-N 0 2 425.401 2.304 40 10 IECBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(OC)c1OC ZINC000002305044 556799736 /nfs/dbraw/zinc/79/97/36/556799736.db2.gz DRSHVVOKSYVRQD-MDWZMJQESA-N 0 2 426.381 2.108 40 10 IECBLN O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2O)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000019863646 556934126 /nfs/dbraw/zinc/93/41/26/556934126.db2.gz KINCSDVYYXRSBG-ZQIUZPCESA-N 0 2 425.319 2.404 40 10 IECBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3ccc4c(c3)n(C)c(=O)n4C)C2=O)c(C)c1 ZINC000408526603 555715765 /nfs/dbraw/zinc/71/57/65/555715765.db2.gz BRNILTKAXDIJLJ-LFIBNONCSA-N 0 2 433.468 2.381 40 10 IECBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1=O ZINC000408532196 555740502 /nfs/dbraw/zinc/74/05/02/555740502.db2.gz MCDNQTYSGCKOJB-UKTHLTGXSA-N 0 2 427.329 2.090 40 10 IECBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408533043 555745922 /nfs/dbraw/zinc/74/59/22/555745922.db2.gz NXNYVOYVWUQYFI-DHDCSXOGSA-N 0 2 427.329 2.090 40 10 IECBLN O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2O)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000036083122 556592634 /nfs/dbraw/zinc/59/26/34/556592634.db2.gz KINCSDVYYXRSBG-JKIFEVAISA-N 0 2 425.319 2.404 40 10 IECBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)cc1 ZINC000408897891 556883303 /nfs/dbraw/zinc/88/33/03/556883303.db2.gz JLQDBKRXVRZRLP-AQTBWJFISA-N 0 2 436.424 2.406 40 10 IECBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 ZINC000409390058 557101415 /nfs/dbraw/zinc/10/14/15/557101415.db2.gz DLIDCWFDDYAVMB-XDHOZWIPSA-N 0 2 429.436 2.254 40 10 IECBLN COc1cccc(N2C(=O)C(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)C(=O)NC2=S)c1 ZINC000100311878 557257344 /nfs/dbraw/zinc/25/73/44/557257344.db2.gz JOCWMKFICHTULF-ZCWPUFOUSA-N 0 2 434.477 2.408 40 10 IECBLN CCOC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033859904 569259922 /nfs/dbraw/zinc/25/99/22/569259922.db2.gz TXLOAAZKGZVOFX-YYTPVVGHSA-N 0 2 425.397 2.387 40 10 IECBLN COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)c1 ZINC000013566826 132350325 /nfs/dbraw/zinc/35/03/25/132350325.db2.gz OFYGDQRRBJPHOG-AQTBWJFISA-N 0 2 437.452 2.207 40 10 IECBLN COc1cc([N+](=O)[O-])ccc1NNC=C1C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000408532060 555738919 /nfs/dbraw/zinc/73/89/19/555738919.db2.gz LVSWHYNHWJQFNT-PKNBQFBNSA-N 0 2 431.792 2.340 40 10 IECBLN Cn1c2ccc(NC=C3C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2n(C)c1=O ZINC000408533427 555746617 /nfs/dbraw/zinc/74/66/17/555746617.db2.gz SFIATTHDKLKTQR-ZRDIBKRKSA-N 0 2 425.832 2.109 40 10 IECBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc([N+](=O)[O-])c1O ZINC000408858787 556871410 /nfs/dbraw/zinc/87/14/10/556871410.db2.gz SMCCOTNKZLQGFD-AWNIVKPZSA-N 0 2 442.340 2.274 40 10 IECBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000408938740 556897484 /nfs/dbraw/zinc/89/74/84/556897484.db2.gz RIXDPCYQHPOBHW-NTUHNPAUSA-N 0 2 442.340 2.274 40 10 IECBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc([N+](=O)[O-])c1O ZINC000408955546 556899225 /nfs/dbraw/zinc/89/92/25/556899225.db2.gz UQNWAPNUJIIBEQ-LFYBBSHMSA-N 0 2 441.352 2.094 40 10 IECBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(N)=O ZINC000409222354 557017481 /nfs/dbraw/zinc/01/74/81/557017481.db2.gz CKIBQHJZORXFEK-OVCLIPMQSA-N 0 2 443.843 2.269 40 10 IECBLN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc([N+](=O)[O-])ccc1O ZINC000261363643 569315735 /nfs/dbraw/zinc/31/57/35/569315735.db2.gz UZQTVUWDOIHZQZ-SFHVURJKSA-O 0 2 426.434 2.386 40 10 IECBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408531341 555731486 /nfs/dbraw/zinc/73/14/86/555731486.db2.gz KIDDIACGIPMHTL-MHWRWJLKSA-N 0 2 441.356 2.481 40 10 IECBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000408912251 556886313 /nfs/dbraw/zinc/88/63/13/556886313.db2.gz QCTCKNOEZFLIPN-BOPFTXTBSA-N 0 2 440.387 2.237 40 10 IECBLN COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000408946753 556898354 /nfs/dbraw/zinc/89/83/54/556898354.db2.gz AXTIYBKQXDLFJK-AWNIVKPZSA-N 0 2 426.381 2.108 40 10 IECBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c([N+](=O)[O-])cc1OC ZINC000408956897 556900350 /nfs/dbraw/zinc/90/03/50/556900350.db2.gz ZFQJEYWMDUUJHG-LFYBBSHMSA-N 0 2 441.352 2.007 40 10 IECBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 ZINC000409224415 557018028 /nfs/dbraw/zinc/01/80/28/557018028.db2.gz HOEQOQGLYHGAKZ-YBFXNURJSA-N 0 2 429.436 2.254 40 10 IECBLN CCOC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000033551724 569259275 /nfs/dbraw/zinc/25/92/75/569259275.db2.gz UJZMKCMOQKZVEC-OPCAMPFDSA-N 0 2 425.397 2.387 40 10 IECBLN CCOC(=O)[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000033551726 569259321 /nfs/dbraw/zinc/25/93/21/569259321.db2.gz UJZMKCMOQKZVEC-WIOAZZGGSA-N 0 2 425.397 2.387 40 10 IECBLN CC(C)OC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000033551674 569259372 /nfs/dbraw/zinc/25/93/72/569259372.db2.gz CIQWIECZGNVHJF-WJDWOHSUSA-N 0 2 425.397 2.387 40 10 IECBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCC(N)=O)C2=O)cc1 ZINC000409227457 557014708 /nfs/dbraw/zinc/01/47/08/557014708.db2.gz YPYBKHWENZKSCC-MHWRWJLKSA-N 0 2 443.843 2.269 40 10 IECBLN COC(=O)[C@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033701839 569259573 /nfs/dbraw/zinc/25/95/73/569259573.db2.gz YCRAIJFFXKAYSF-ZENNRRHLSA-N 0 2 441.396 2.005 40 10 IECBLN COC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033797606 569259906 /nfs/dbraw/zinc/25/99/06/569259906.db2.gz AVUZLJSYBIARKD-QPEQYQDCSA-N 0 2 431.788 2.261 40 10 IECBLN O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1nc[nH]n1 ZINC000408528041 569584092 /nfs/dbraw/zinc/58/40/92/569584092.db2.gz DYHFPHIDPNZOAG-WOJGMQOQSA-N 0 2 432.484 2.851 40 10 IECBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3ccc(S(N)(=O)=O)cc3C)C2=O)c(C)c1 ZINC000408536454 555772088 /nfs/dbraw/zinc/77/20/88/555772088.db2.gz WNOYSGRQMOSGQQ-MHWRWJLKSA-N 0 2 442.497 2.146 40 10 IECBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OC)cc3[N+](=O)[O-])C2=O)cc1 ZINC000408743308 556211049 /nfs/dbraw/zinc/21/10/49/556211049.db2.gz ZUMTUHAELYSPSY-RIYZIHGNSA-N 0 2 427.369 2.287 40 10 IECBLN COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O ZINC000409227610 557014760 /nfs/dbraw/zinc/01/47/60/557014760.db2.gz QTBBRAJXJMWSHS-FOWTUZBSSA-N 0 2 425.416 2.337 40 10 IECBLN COC(=O)[C@@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033701842 569259558 /nfs/dbraw/zinc/25/95/58/569259558.db2.gz YCRAIJFFXKAYSF-CDCQXCROSA-N 0 2 441.396 2.005 40 10 IECBLN CCOC(=O)[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033859906 569259895 /nfs/dbraw/zinc/25/98/95/569259895.db2.gz TXLOAAZKGZVOFX-RERGGYADSA-N 0 2 425.397 2.387 40 10 IECBLN